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 Set 1.1: A 13 ASN : amide:sc= 0.51 K(o=1.4,f=-7.9!) USER MOD Set 1.2: A 15 THR OG1 : rot 87:sc= 0.855 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 169:sc= 0 (180deg=-0.109) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.199 K(o=-0.2,f=-6.8!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.991 K(o=0.99,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.845 -2.593 3.251 1.00 0.00 N ATOM 2 CA LYS A 1 -10.664 -1.689 3.318 1.00 0.00 C ATOM 3 C LYS A 1 -9.891 -1.668 1.996 1.00 0.00 C ATOM 4 O LYS A 1 -9.954 -0.677 1.265 1.00 0.00 O ATOM 5 CB LYS A 1 -9.760 -2.008 4.533 1.00 0.00 C ATOM 6 CG LYS A 1 -8.569 -1.035 4.670 1.00 0.00 C ATOM 7 CD LYS A 1 -7.594 -1.434 5.788 1.00 0.00 C ATOM 8 CE LYS A 1 -6.754 -2.660 5.398 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.825 -3.045 6.492 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.343 -2.581 4.164 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.488 -2.269 2.501 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.529 -3.562 3.041 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.038 -0.677 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.358 -1.972 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.382 -3.026 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.030 -0.993 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.947 -0.032 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.933 -0.596 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.153 -1.650 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.413 -3.497 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.185 -2.442 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.271 -3.875 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.182 -2.254 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.371 -3.276 7.346 1.00 0.00 H new ATOM 25 N LEU A 2 -9.128 -2.726 1.698 1.00 0.00 N ATOM 26 CA LEU A 2 -8.249 -2.844 0.528 1.00 0.00 C ATOM 27 C LEU A 2 -8.985 -3.504 -0.667 1.00 0.00 C ATOM 28 O LEU A 2 -9.732 -4.464 -0.440 1.00 0.00 O ATOM 29 CB LEU A 2 -7.013 -3.642 0.991 1.00 0.00 C ATOM 30 CG LEU A 2 -5.782 -3.541 0.079 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.124 -2.164 0.173 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.738 -4.562 0.520 1.00 0.00 C ATOM 0 H LEU A 2 -9.105 -3.557 2.289 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.941 -1.866 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.734 -3.300 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.292 -4.692 1.080 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.120 -3.720 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.256 -2.130 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.839 -1.398 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.807 -1.981 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.864 -4.491 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.444 -4.360 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.159 -5.565 0.452 1.00 0.00 H new ATOM 44 N PRO A 3 -8.818 -3.030 -1.920 1.00 0.00 N ATOM 45 CA PRO A 3 -9.510 -3.587 -3.088 1.00 0.00 C ATOM 46 C PRO A 3 -9.061 -5.023 -3.445 1.00 0.00 C ATOM 47 O PRO A 3 -7.967 -5.444 -3.047 1.00 0.00 O ATOM 48 CB PRO A 3 -9.247 -2.604 -4.237 1.00 0.00 C ATOM 49 CG PRO A 3 -7.949 -1.915 -3.831 1.00 0.00 C ATOM 50 CD PRO A 3 -8.044 -1.866 -2.316 1.00 0.00 C ATOM 0 HA PRO A 3 -10.575 -3.691 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.145 -3.121 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.063 -1.889 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.075 -2.475 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.870 -0.917 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.053 -1.885 -1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.527 -0.947 -1.986 1.00 0.00 H new ATOM 58 N PRO A 4 -9.869 -5.781 -4.219 1.00 0.00 N ATOM 59 CA PRO A 4 -9.575 -7.165 -4.599 1.00 0.00 C ATOM 60 C PRO A 4 -8.207 -7.359 -5.272 1.00 0.00 C ATOM 61 O PRO A 4 -7.775 -6.546 -6.093 1.00 0.00 O ATOM 62 CB PRO A 4 -10.718 -7.601 -5.524 1.00 0.00 C ATOM 63 CG PRO A 4 -11.883 -6.731 -5.064 1.00 0.00 C ATOM 64 CD PRO A 4 -11.196 -5.415 -4.705 1.00 0.00 C ATOM 0 HA PRO A 4 -9.511 -7.779 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.476 -7.430 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.941 -8.663 -5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.625 -6.599 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.400 -7.165 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.128 -4.760 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.757 -4.876 -3.942 1.00 0.00 H new ATOM 72 N GLY A 5 -7.527 -8.455 -4.923 1.00 0.00 N ATOM 73 CA GLY A 5 -6.217 -8.843 -5.459 1.00 0.00 C ATOM 74 C GLY A 5 -5.003 -8.134 -4.841 1.00 0.00 C ATOM 75 O GLY A 5 -3.890 -8.649 -4.955 1.00 0.00 O ATOM 0 H GLY A 5 -7.884 -9.119 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.094 -9.917 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.215 -8.655 -6.533 1.00 0.00 H new ATOM 79 N TRP A 6 -5.182 -6.998 -4.160 1.00 0.00 N ATOM 80 CA TRP A 6 -4.101 -6.287 -3.465 1.00 0.00 C ATOM 81 C TRP A 6 -3.756 -6.858 -2.079 1.00 0.00 C ATOM 82 O TRP A 6 -4.595 -7.453 -1.399 1.00 0.00 O ATOM 83 CB TRP A 6 -4.398 -4.784 -3.394 1.00 0.00 C ATOM 84 CG TRP A 6 -4.370 -4.059 -4.705 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.432 -3.910 -5.525 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.215 -3.599 -5.478 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.047 -3.269 -6.684 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.681 -3.091 -6.730 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.825 -3.532 -5.235 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.812 -2.557 -7.693 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.943 -2.989 -6.194 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.434 -2.509 -7.421 1.00 0.00 C ATOM 0 H TRP A 6 -6.090 -6.541 -4.074 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.206 -6.445 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.381 -4.646 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.673 -4.319 -2.726 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.435 -4.244 -5.306 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.691 -2.965 -7.414 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.431 -3.902 -4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.197 -2.187 -8.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.115 -2.942 -5.984 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.752 -2.104 -8.154 1.00 0.00 H new ATOM 103 N GLU A 7 -2.520 -6.625 -1.640 1.00 0.00 N ATOM 104 CA GLU A 7 -1.981 -6.954 -0.318 1.00 0.00 C ATOM 105 C GLU A 7 -0.951 -5.884 0.099 1.00 0.00 C ATOM 106 O GLU A 7 -0.189 -5.393 -0.742 1.00 0.00 O ATOM 107 CB GLU A 7 -1.325 -8.348 -0.380 1.00 0.00 C ATOM 108 CG GLU A 7 -1.058 -8.942 1.014 1.00 0.00 C ATOM 109 CD GLU A 7 -0.107 -10.158 1.010 1.00 0.00 C ATOM 110 OE1 GLU A 7 0.673 -10.351 0.045 1.00 0.00 O ATOM 111 OE2 GLU A 7 -0.112 -10.922 2.006 1.00 0.00 O ATOM 0 H GLU A 7 -1.824 -6.174 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.780 -6.970 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.971 -9.024 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.385 -8.278 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.636 -8.166 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.008 -9.239 1.459 1.00 0.00 H new ATOM 118 N LYS A 8 -0.893 -5.520 1.387 1.00 0.00 N ATOM 119 CA LYS A 8 0.188 -4.674 1.928 1.00 0.00 C ATOM 120 C LYS A 8 1.531 -5.407 1.986 1.00 0.00 C ATOM 121 O LYS A 8 1.589 -6.603 2.283 1.00 0.00 O ATOM 122 CB LYS A 8 -0.174 -4.094 3.304 1.00 0.00 C ATOM 123 CG LYS A 8 -1.098 -2.886 3.122 1.00 0.00 C ATOM 124 CD LYS A 8 -1.525 -2.236 4.444 1.00 0.00 C ATOM 125 CE LYS A 8 -0.369 -1.427 5.046 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.751 -0.794 6.335 1.00 0.00 N ATOM 0 H LYS A 8 -1.586 -5.799 2.081 1.00 0.00 H new ATOM 0 HA LYS A 8 0.300 -3.844 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.666 -4.853 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.731 -3.797 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.592 -2.141 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.988 -3.199 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.382 -1.585 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.843 -3.005 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.489 -2.080 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.059 -0.656 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.056 -0.256 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.554 -0.151 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.023 -1.531 7.017 1.00 0.00 H new ATOM 140 N ARG A 9 2.607 -4.659 1.747 1.00 0.00 N ATOM 141 CA ARG A 9 4.018 -5.087 1.806 1.00 0.00 C ATOM 142 C ARG A 9 4.905 -4.022 2.444 1.00 0.00 C ATOM 143 O ARG A 9 4.493 -2.880 2.655 1.00 0.00 O ATOM 144 CB ARG A 9 4.553 -5.417 0.398 1.00 0.00 C ATOM 145 CG ARG A 9 3.880 -6.582 -0.322 1.00 0.00 C ATOM 146 CD ARG A 9 4.049 -7.926 0.400 1.00 0.00 C ATOM 147 NE ARG A 9 3.289 -9.005 -0.258 1.00 0.00 N ATOM 148 CZ ARG A 9 3.730 -9.899 -1.120 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.914 -9.844 -1.665 1.00 0.00 N ATOM 150 NH2 ARG A 9 2.952 -10.886 -1.440 1.00 0.00 N ATOM 0 H ARG A 9 2.519 -3.676 1.490 1.00 0.00 H new ATOM 0 HA ARG A 9 4.050 -5.983 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.454 -4.527 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.618 -5.633 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.817 -6.367 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.292 -6.664 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.106 -8.192 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.717 -7.827 1.434 1.00 0.00 H new ATOM 0 HE ARG A 9 2.300 -9.067 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.549 -9.082 -1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.205 -10.564 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.022 -10.957 -1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.270 -11.591 -2.105 1.00 0.00 H new ATOM 164 N MET A 10 6.151 -4.405 2.697 1.00 0.00 N ATOM 165 CA MET A 10 7.143 -3.593 3.415 1.00 0.00 C ATOM 166 C MET A 10 8.587 -3.960 3.040 1.00 0.00 C ATOM 167 O MET A 10 8.947 -5.136 2.941 1.00 0.00 O ATOM 168 CB MET A 10 7.015 -3.738 4.948 1.00 0.00 C ATOM 169 CG MET A 10 5.688 -3.285 5.578 1.00 0.00 C ATOM 170 SD MET A 10 4.336 -4.506 5.630 1.00 0.00 S ATOM 171 CE MET A 10 4.979 -5.679 6.857 1.00 0.00 C ATOM 0 H MET A 10 6.515 -5.311 2.403 1.00 0.00 H new ATOM 0 HA MET A 10 6.932 -2.567 3.114 1.00 0.00 H new ATOM 0 HB2 MET A 10 7.173 -4.786 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.822 -3.171 5.412 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.891 -2.961 6.599 1.00 0.00 H new ATOM 0 HG3 MET A 10 5.334 -2.411 5.031 1.00 0.00 H new ATOM 0 HE1 MET A 10 4.190 -6.374 7.144 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.813 -6.234 6.428 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.320 -5.134 7.737 1.00 0.00 H new ATOM 181 N PHE A 11 9.417 -2.933 2.856 1.00 0.00 N ATOM 182 CA PHE A 11 10.870 -3.022 2.703 1.00 0.00 C ATOM 183 C PHE A 11 11.644 -3.303 4.001 1.00 0.00 C ATOM 184 O PHE A 11 11.168 -2.978 5.093 1.00 0.00 O ATOM 185 CB PHE A 11 11.407 -1.776 1.979 1.00 0.00 C ATOM 186 CG PHE A 11 11.099 -1.709 0.496 1.00 0.00 C ATOM 187 CD1 PHE A 11 10.062 -0.881 0.025 1.00 0.00 C ATOM 188 CD2 PHE A 11 11.866 -2.453 -0.421 1.00 0.00 C ATOM 189 CE1 PHE A 11 9.794 -0.796 -1.353 1.00 0.00 C ATOM 190 CE2 PHE A 11 11.595 -2.372 -1.799 1.00 0.00 C ATOM 191 CZ PHE A 11 10.559 -1.544 -2.265 1.00 0.00 C ATOM 0 H PHE A 11 9.079 -1.972 2.807 1.00 0.00 H new ATOM 0 HA PHE A 11 11.050 -3.905 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.994 -0.889 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.488 -1.736 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.470 -0.309 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.664 -3.087 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.001 -0.156 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.183 -2.946 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.351 -1.483 -3.323 1.00 0.00 H new ATOM 201 N ALA A 12 12.869 -3.829 3.897 1.00 0.00 N ATOM 202 CA ALA A 12 13.753 -4.066 5.047 1.00 0.00 C ATOM 203 C ALA A 12 14.144 -2.775 5.810 1.00 0.00 C ATOM 204 O ALA A 12 14.493 -2.833 6.992 1.00 0.00 O ATOM 205 CB ALA A 12 14.996 -4.807 4.538 1.00 0.00 C ATOM 0 H ALA A 12 13.280 -4.105 3.005 1.00 0.00 H new ATOM 0 HA ALA A 12 13.211 -4.667 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.673 -4.997 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.697 -5.754 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.503 -4.196 3.791 1.00 0.00 H new ATOM 211 N ASN A 13 14.059 -1.610 5.154 1.00 0.00 N ATOM 212 CA ASN A 13 14.297 -0.286 5.746 1.00 0.00 C ATOM 213 C ASN A 13 13.086 0.295 6.526 1.00 0.00 C ATOM 214 O ASN A 13 13.203 1.373 7.115 1.00 0.00 O ATOM 215 CB ASN A 13 14.793 0.668 4.634 1.00 0.00 C ATOM 216 CG ASN A 13 13.760 0.996 3.562 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.563 0.800 3.756 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.205 1.552 2.443 1.00 0.00 N ATOM 0 H ASN A 13 13.815 -1.561 4.165 1.00 0.00 H new ATOM 0 HA ASN A 13 15.065 -0.397 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.125 1.598 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.664 0.222 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.547 1.830 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.205 1.702 2.311 1.00 0.00 H new ATOM 224 N GLY A 14 11.928 -0.383 6.527 1.00 0.00 N ATOM 225 CA GLY A 14 10.693 0.066 7.189 1.00 0.00 C ATOM 226 C GLY A 14 9.732 0.905 6.325 1.00 0.00 C ATOM 227 O GLY A 14 8.849 1.569 6.874 1.00 0.00 O ATOM 0 H GLY A 14 11.822 -1.281 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.156 -0.812 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.967 0.652 8.067 1.00 0.00 H new ATOM 231 N THR A 15 9.864 0.880 4.993 1.00 0.00 N ATOM 232 CA THR A 15 9.001 1.615 4.044 1.00 0.00 C ATOM 233 C THR A 15 7.869 0.712 3.550 1.00 0.00 C ATOM 234 O THR A 15 8.115 -0.425 3.149 1.00 0.00 O ATOM 235 CB THR A 15 9.836 2.081 2.839 1.00 0.00 C ATOM 236 OG1 THR A 15 10.855 2.954 3.273 1.00 0.00 O ATOM 237 CG2 THR A 15 9.048 2.787 1.742 1.00 0.00 C ATOM 0 H THR A 15 10.591 0.336 4.528 1.00 0.00 H new ATOM 0 HA THR A 15 8.575 2.479 4.555 1.00 0.00 H new ATOM 0 HB THR A 15 10.233 1.164 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.644 2.433 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.724 3.077 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.286 2.113 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.570 3.677 2.152 1.00 0.00 H new ATOM 245 N VAL A 16 6.631 1.212 3.538 1.00 0.00 N ATOM 246 CA VAL A 16 5.414 0.456 3.192 1.00 0.00 C ATOM 247 C VAL A 16 5.049 0.632 1.711 1.00 0.00 C ATOM 248 O VAL A 16 5.198 1.724 1.157 1.00 0.00 O ATOM 249 CB VAL A 16 4.246 0.894 4.105 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.966 0.091 3.863 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.597 0.764 5.596 1.00 0.00 C ATOM 0 H VAL A 16 6.437 2.185 3.776 1.00 0.00 H new ATOM 0 HA VAL A 16 5.609 -0.604 3.354 1.00 0.00 H new ATOM 0 HB VAL A 16 4.073 1.939 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.183 0.445 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.645 0.221 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.157 -0.965 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.747 1.083 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.835 -0.275 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.459 1.392 5.823 1.00 0.00 H new ATOM 261 N TYR A 17 4.551 -0.430 1.073 1.00 0.00 N ATOM 262 CA TYR A 17 4.030 -0.418 -0.301 1.00 0.00 C ATOM 263 C TYR A 17 2.890 -1.442 -0.468 1.00 0.00 C ATOM 264 O TYR A 17 2.470 -2.099 0.489 1.00 0.00 O ATOM 265 CB TYR A 17 5.174 -0.665 -1.306 1.00 0.00 C ATOM 266 CG TYR A 17 5.858 -2.025 -1.272 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.931 -2.254 -0.389 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.486 -3.029 -2.193 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.659 -3.459 -0.456 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.214 -4.232 -2.266 1.00 0.00 C ATOM 271 CZ TYR A 17 7.310 -4.445 -1.403 1.00 0.00 C ATOM 272 OH TYR A 17 8.009 -5.610 -1.472 1.00 0.00 O ATOM 0 H TYR A 17 4.496 -1.351 1.509 1.00 0.00 H new ATOM 0 HA TYR A 17 3.609 0.566 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.778 -0.512 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.935 0.098 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.197 -1.504 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.639 -2.873 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.485 -3.628 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.934 -4.991 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 17 7.634 -6.175 -2.179 1.00 0.00 H new ATOM 282 N TYR A 18 2.373 -1.568 -1.690 1.00 0.00 N ATOM 283 CA TYR A 18 1.254 -2.430 -2.061 1.00 0.00 C ATOM 284 C TYR A 18 1.597 -3.362 -3.229 1.00 0.00 C ATOM 285 O TYR A 18 2.305 -2.968 -4.159 1.00 0.00 O ATOM 286 CB TYR A 18 0.021 -1.567 -2.358 1.00 0.00 C ATOM 287 CG TYR A 18 -0.459 -0.772 -1.159 1.00 0.00 C ATOM 288 CD1 TYR A 18 -1.419 -1.318 -0.288 1.00 0.00 C ATOM 289 CD2 TYR A 18 0.064 0.513 -0.912 1.00 0.00 C ATOM 290 CE1 TYR A 18 -1.864 -0.574 0.821 1.00 0.00 C ATOM 291 CE2 TYR A 18 -0.345 1.239 0.222 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.308 0.694 1.096 1.00 0.00 C ATOM 293 OH TYR A 18 -1.713 1.401 2.184 1.00 0.00 O ATOM 0 H TYR A 18 2.742 -1.046 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 18 1.030 -3.084 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.255 -0.879 -3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.788 -2.209 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.814 -2.307 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.781 0.942 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.634 -0.975 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.078 2.212 0.423 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.227 2.251 2.221 1.00 0.00 H new ATOM 303 N PHE A 19 1.086 -4.591 -3.192 1.00 0.00 N ATOM 304 CA PHE A 19 1.332 -5.646 -4.177 1.00 0.00 C ATOM 305 C PHE A 19 0.080 -6.391 -4.647 1.00 0.00 C ATOM 306 O PHE A 19 -0.735 -6.797 -3.820 1.00 0.00 O ATOM 307 CB PHE A 19 2.457 -6.568 -3.689 1.00 0.00 C ATOM 308 CG PHE A 19 2.620 -7.876 -4.439 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.483 -7.941 -5.549 1.00 0.00 C ATOM 310 CD2 PHE A 19 1.943 -9.035 -4.014 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.666 -9.154 -6.235 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.140 -10.252 -4.690 1.00 0.00 C ATOM 313 CZ PHE A 19 2.995 -10.312 -5.805 1.00 0.00 C ATOM 0 H PHE A 19 0.462 -4.893 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 19 1.669 -5.156 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.398 -6.021 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.283 -6.795 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.007 -7.055 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.272 -8.989 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.322 -9.196 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.633 -11.144 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.136 -11.245 -6.330 1.00 0.00 H new ATOM 323 N ASN A 20 -0.093 -6.571 -5.955 1.00 0.00 N ATOM 324 CA ASN A 20 -1.218 -7.297 -6.533 1.00 0.00 C ATOM 325 C ASN A 20 -0.820 -8.765 -6.756 1.00 0.00 C ATOM 326 O ASN A 20 -0.019 -9.070 -7.642 1.00 0.00 O ATOM 327 CB ASN A 20 -1.648 -6.580 -7.822 1.00 0.00 C ATOM 328 CG ASN A 20 -2.947 -7.135 -8.378 1.00 0.00 C ATOM 329 OD1 ASN A 20 -3.192 -8.333 -8.385 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.809 -6.291 -8.894 1.00 0.00 N ATOM 0 H ASN A 20 0.557 -6.210 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.076 -7.308 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.766 -5.515 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.862 -6.679 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.680 -6.635 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.608 -5.291 -8.890 1.00 0.00 H new ATOM 337 N HIS A 21 -1.379 -9.688 -5.969 1.00 0.00 N ATOM 338 CA HIS A 21 -1.012 -11.112 -6.021 1.00 0.00 C ATOM 339 C HIS A 21 -1.628 -11.868 -7.215 1.00 0.00 C ATOM 340 O HIS A 21 -1.177 -12.968 -7.542 1.00 0.00 O ATOM 341 CB HIS A 21 -1.289 -11.770 -4.655 1.00 0.00 C ATOM 342 CG HIS A 21 -2.561 -12.581 -4.557 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.642 -13.977 -4.610 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.821 -12.076 -4.436 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.949 -14.277 -4.503 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.678 -13.154 -4.391 1.00 0.00 N ATOM 0 H HIS A 21 -2.098 -9.473 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 21 0.059 -11.177 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.448 -12.418 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.321 -10.988 -3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.095 -11.033 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.355 -15.278 -4.507 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.692 -13.107 -4.290 1.00 0.00 H new ATOM 354 N ILE A 22 -2.606 -11.270 -7.909 1.00 0.00 N ATOM 355 CA ILE A 22 -3.216 -11.819 -9.129 1.00 0.00 C ATOM 356 C ILE A 22 -2.322 -11.552 -10.353 1.00 0.00 C ATOM 357 O ILE A 22 -2.165 -12.418 -11.217 1.00 0.00 O ATOM 358 CB ILE A 22 -4.610 -11.180 -9.358 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.527 -11.181 -8.113 1.00 0.00 C ATOM 360 CG2 ILE A 22 -5.318 -11.835 -10.552 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.899 -12.565 -7.569 1.00 0.00 C ATOM 0 H ILE A 22 -3.004 -10.372 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.325 -12.896 -9.002 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.416 -10.130 -9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.034 -10.618 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.445 -10.648 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.294 -11.372 -10.695 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.717 -11.699 -11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.447 -12.900 -10.359 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.543 -12.452 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.426 -13.129 -8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.993 -13.099 -7.284 1.00 0.00 H new ATOM 373 N THR A 23 -1.726 -10.356 -10.419 1.00 0.00 N ATOM 374 CA THR A 23 -1.000 -9.816 -11.589 1.00 0.00 C ATOM 375 C THR A 23 0.514 -9.636 -11.421 1.00 0.00 C ATOM 376 O THR A 23 1.216 -9.350 -12.394 1.00 0.00 O ATOM 377 CB THR A 23 -1.644 -8.510 -12.083 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.267 -7.452 -11.230 1.00 0.00 O ATOM 379 CG2 THR A 23 -3.172 -8.520 -12.124 1.00 0.00 C ATOM 0 H THR A 23 -1.733 -9.708 -9.632 1.00 0.00 H new ATOM 0 HA THR A 23 -1.101 -10.598 -12.342 1.00 0.00 H new ATOM 0 HB THR A 23 -1.287 -8.390 -13.106 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.675 -6.618 -11.544 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.533 -7.557 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.513 -9.309 -12.794 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.562 -8.701 -11.122 1.00 0.00 H new ATOM 387 N ASN A 24 1.023 -9.801 -10.196 1.00 0.00 N ATOM 388 CA ASN A 24 2.392 -9.503 -9.755 1.00 0.00 C ATOM 389 C ASN A 24 2.816 -8.017 -9.868 1.00 0.00 C ATOM 390 O ASN A 24 4.002 -7.702 -9.726 1.00 0.00 O ATOM 391 CB ASN A 24 3.398 -10.502 -10.366 1.00 0.00 C ATOM 392 CG ASN A 24 3.065 -11.948 -10.034 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.014 -12.353 -8.880 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.872 -12.787 -11.028 1.00 0.00 N ATOM 0 H ASN A 24 0.453 -10.171 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 24 2.401 -9.656 -8.676 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.416 -10.377 -11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.399 -10.271 -10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.681 -13.770 -10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.913 -12.454 -11.991 1.00 0.00 H new ATOM 401 N ALA A 25 1.875 -7.091 -10.102 1.00 0.00 N ATOM 402 CA ALA A 25 2.131 -5.646 -10.061 1.00 0.00 C ATOM 403 C ALA A 25 2.431 -5.141 -8.631 1.00 0.00 C ATOM 404 O ALA A 25 2.051 -5.771 -7.642 1.00 0.00 O ATOM 405 CB ALA A 25 0.932 -4.911 -10.676 1.00 0.00 C ATOM 0 H ALA A 25 0.908 -7.327 -10.327 1.00 0.00 H new ATOM 0 HA ALA A 25 3.027 -5.436 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.112 -3.836 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.799 -5.232 -11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.032 -5.142 -10.106 1.00 0.00 H new ATOM 411 N SER A 26 3.082 -3.981 -8.507 1.00 0.00 N ATOM 412 CA SER A 26 3.337 -3.312 -7.218 1.00 0.00 C ATOM 413 C SER A 26 3.432 -1.788 -7.346 1.00 0.00 C ATOM 414 O SER A 26 3.822 -1.263 -8.394 1.00 0.00 O ATOM 415 CB SER A 26 4.584 -3.878 -6.522 1.00 0.00 C ATOM 416 OG SER A 26 5.749 -3.725 -7.317 1.00 0.00 O ATOM 0 H SER A 26 3.454 -3.469 -9.307 1.00 0.00 H new ATOM 0 HA SER A 26 2.470 -3.525 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.727 -3.373 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.430 -4.935 -6.304 1.00 0.00 H new ATOM 0 HG SER A 26 6.521 -4.095 -6.840 1.00 0.00 H new ATOM 422 N GLN A 27 3.050 -1.073 -6.283 1.00 0.00 N ATOM 423 CA GLN A 27 3.028 0.395 -6.227 1.00 0.00 C ATOM 424 C GLN A 27 3.158 0.915 -4.783 1.00 0.00 C ATOM 425 O GLN A 27 2.731 0.257 -3.835 1.00 0.00 O ATOM 426 CB GLN A 27 1.744 0.913 -6.907 1.00 0.00 C ATOM 427 CG GLN A 27 0.439 0.597 -6.159 1.00 0.00 C ATOM 428 CD GLN A 27 -0.787 1.138 -6.897 1.00 0.00 C ATOM 429 OE1 GLN A 27 -0.990 0.921 -8.086 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.652 1.866 -6.227 1.00 0.00 N ATOM 0 H GLN A 27 2.739 -1.509 -5.415 1.00 0.00 H new ATOM 0 HA GLN A 27 3.893 0.779 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.824 1.994 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.684 0.486 -7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.343 -0.482 -6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.480 1.028 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.499 2.057 -5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.476 2.240 -6.697 1.00 0.00 H new ATOM 439 N PHE A 28 3.726 2.111 -4.605 1.00 0.00 N ATOM 440 CA PHE A 28 3.803 2.792 -3.304 1.00 0.00 C ATOM 441 C PHE A 28 2.505 3.422 -2.771 1.00 0.00 C ATOM 442 O PHE A 28 2.194 3.324 -1.583 1.00 0.00 O ATOM 443 CB PHE A 28 5.028 3.722 -3.265 1.00 0.00 C ATOM 444 CG PHE A 28 5.010 4.775 -2.171 1.00 0.00 C ATOM 445 CD1 PHE A 28 5.572 4.497 -0.910 1.00 0.00 C ATOM 446 CD2 PHE A 28 4.419 6.032 -2.409 1.00 0.00 C ATOM 447 CE1 PHE A 28 5.540 5.468 0.107 1.00 0.00 C ATOM 448 CE2 PHE A 28 4.382 7.001 -1.390 1.00 0.00 C ATOM 449 CZ PHE A 28 4.944 6.719 -0.132 1.00 0.00 C ATOM 0 H PHE A 28 4.150 2.641 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 28 3.947 2.001 -2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.923 3.112 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.113 4.224 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.029 3.536 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.993 6.252 -3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.974 5.253 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.922 7.961 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.918 7.463 0.650 1.00 0.00 H new ATOM 459 N GLU A 29 1.732 4.052 -3.660 1.00 0.00 N ATOM 460 CA GLU A 29 0.461 4.708 -3.329 1.00 0.00 C ATOM 461 C GLU A 29 -0.660 3.706 -3.001 1.00 0.00 C ATOM 462 O GLU A 29 -0.788 2.661 -3.644 1.00 0.00 O ATOM 463 CB GLU A 29 0.087 5.675 -4.469 1.00 0.00 C ATOM 464 CG GLU A 29 -1.335 6.269 -4.475 1.00 0.00 C ATOM 465 CD GLU A 29 -1.710 7.143 -3.257 1.00 0.00 C ATOM 466 OE1 GLU A 29 -2.713 7.894 -3.351 1.00 0.00 O ATOM 467 OE2 GLU A 29 -1.035 7.090 -2.201 1.00 0.00 O ATOM 0 H GLU A 29 1.975 4.122 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 29 0.590 5.282 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.795 6.503 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.234 5.151 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.453 6.869 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.050 5.449 -4.542 1.00 0.00 H new ATOM 474 N ARG A 30 -1.501 4.039 -2.017 1.00 0.00 N ATOM 475 CA ARG A 30 -2.605 3.202 -1.517 1.00 0.00 C ATOM 476 C ARG A 30 -3.682 2.941 -2.599 1.00 0.00 C ATOM 477 O ARG A 30 -4.334 3.897 -3.029 1.00 0.00 O ATOM 478 CB ARG A 30 -3.117 3.862 -0.219 1.00 0.00 C ATOM 479 CG ARG A 30 -4.463 3.400 0.357 1.00 0.00 C ATOM 480 CD ARG A 30 -4.650 1.888 0.529 1.00 0.00 C ATOM 481 NE ARG A 30 -5.909 1.450 -0.098 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.064 1.188 0.480 1.00 0.00 C ATOM 483 NH1 ARG A 30 -7.252 1.225 1.767 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.078 0.879 -0.266 1.00 0.00 N ATOM 0 H ARG A 30 -1.432 4.931 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.267 2.194 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.359 3.713 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.184 4.935 -0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.599 3.873 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.257 3.771 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.810 1.358 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.657 1.635 1.589 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.883 1.335 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.480 1.467 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.171 1.012 2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.973 0.842 -1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.981 0.673 0.161 1.00 0.00 H new ATOM 498 N PRO A 31 -3.876 1.684 -3.064 1.00 0.00 N ATOM 499 CA PRO A 31 -4.744 1.355 -4.202 1.00 0.00 C ATOM 500 C PRO A 31 -6.243 1.521 -3.916 1.00 0.00 C ATOM 501 O PRO A 31 -6.721 1.214 -2.820 1.00 0.00 O ATOM 502 CB PRO A 31 -4.417 -0.100 -4.571 1.00 0.00 C ATOM 503 CG PRO A 31 -3.898 -0.693 -3.263 1.00 0.00 C ATOM 504 CD PRO A 31 -3.151 0.486 -2.660 1.00 0.00 C ATOM 0 HA PRO A 31 -4.549 2.051 -5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.299 -0.631 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.668 -0.155 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.709 -1.035 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.243 -1.548 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.110 0.405 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.121 0.517 -3.017 1.00 0.00 H new