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= 0.614 K(o=1.8,f=-6.1!) USER MOD Set 1.2: A 15 THR OG1 : rot 89:sc= 1.17 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 177:sc= 0 (180deg=-0.0125) 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= -0.252 K(o=-0.25,f=-7!) 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= 0.00364 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.967 -1.812 2.874 1.00 0.00 N ATOM 2 CA LYS A 1 -10.687 -1.054 2.933 1.00 0.00 C ATOM 3 C LYS A 1 -9.884 -1.196 1.636 1.00 0.00 C ATOM 4 O LYS A 1 -9.769 -0.230 0.877 1.00 0.00 O ATOM 5 CB LYS A 1 -9.857 -1.414 4.188 1.00 0.00 C ATOM 6 CG LYS A 1 -8.565 -0.580 4.312 1.00 0.00 C ATOM 7 CD LYS A 1 -7.701 -0.991 5.514 1.00 0.00 C ATOM 8 CE LYS A 1 -7.025 -2.352 5.291 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.200 -2.743 6.465 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.483 -1.692 3.769 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.547 -1.453 2.089 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.766 -2.821 2.723 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.941 0.002 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.468 -1.262 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.599 -2.472 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.981 -0.686 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.826 0.474 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.939 -0.231 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.321 -1.035 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.784 -3.112 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.397 -2.307 4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.756 -3.666 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.461 -2.028 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.805 -2.808 7.308 1.00 0.00 H new ATOM 25 N LEU A 2 -9.290 -2.370 1.387 1.00 0.00 N ATOM 26 CA LEU A 2 -8.415 -2.646 0.245 1.00 0.00 C ATOM 27 C LEU A 2 -9.182 -3.316 -0.923 1.00 0.00 C ATOM 28 O LEU A 2 -10.045 -4.161 -0.654 1.00 0.00 O ATOM 29 CB LEU A 2 -7.260 -3.515 0.771 1.00 0.00 C ATOM 30 CG LEU A 2 -5.983 -3.483 -0.074 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.260 -2.145 0.069 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.029 -4.568 0.416 1.00 0.00 C ATOM 0 H LEU A 2 -9.410 -3.179 1.996 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.024 -1.720 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.015 -3.192 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.605 -4.547 0.840 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.268 -3.638 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.357 -2.152 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.916 -1.340 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.990 -1.987 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.118 -4.549 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.780 -4.388 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.507 -5.543 0.319 1.00 0.00 H new ATOM 44 N PRO A 3 -8.898 -2.990 -2.201 1.00 0.00 N ATOM 45 CA PRO A 3 -9.558 -3.616 -3.352 1.00 0.00 C ATOM 46 C PRO A 3 -9.175 -5.101 -3.542 1.00 0.00 C ATOM 47 O PRO A 3 -8.128 -5.536 -3.043 1.00 0.00 O ATOM 48 CB PRO A 3 -9.167 -2.789 -4.585 1.00 0.00 C ATOM 49 CG PRO A 3 -8.557 -1.512 -4.018 1.00 0.00 C ATOM 50 CD PRO A 3 -8.014 -1.932 -2.657 1.00 0.00 C ATOM 0 HA PRO A 3 -10.636 -3.621 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.453 -3.325 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.035 -2.571 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.766 -1.128 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.302 -0.722 -3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.986 -2.285 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.011 -1.094 -1.959 1.00 0.00 H new ATOM 58 N PRO A 4 -9.963 -5.884 -4.309 1.00 0.00 N ATOM 59 CA PRO A 4 -9.655 -7.280 -4.636 1.00 0.00 C ATOM 60 C PRO A 4 -8.274 -7.472 -5.284 1.00 0.00 C ATOM 61 O PRO A 4 -7.846 -6.675 -6.123 1.00 0.00 O ATOM 62 CB PRO A 4 -10.781 -7.751 -5.566 1.00 0.00 C ATOM 63 CG PRO A 4 -11.951 -6.849 -5.183 1.00 0.00 C ATOM 64 CD PRO A 4 -11.261 -5.524 -4.865 1.00 0.00 C ATOM 0 HA PRO A 4 -9.603 -7.871 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.511 -7.636 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.017 -8.804 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.668 -6.747 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.498 -7.238 -4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.148 -4.915 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.844 -4.939 -4.154 1.00 0.00 H new ATOM 72 N GLY A 5 -7.575 -8.543 -4.898 1.00 0.00 N ATOM 73 CA GLY A 5 -6.261 -8.929 -5.431 1.00 0.00 C ATOM 74 C GLY A 5 -5.050 -8.183 -4.851 1.00 0.00 C ATOM 75 O GLY A 5 -3.923 -8.656 -5.013 1.00 0.00 O ATOM 0 H GLY A 5 -7.916 -9.187 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.121 -9.996 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.271 -8.779 -6.511 1.00 0.00 H new ATOM 79 N TRP A 6 -5.242 -7.062 -4.150 1.00 0.00 N ATOM 80 CA TRP A 6 -4.168 -6.336 -3.458 1.00 0.00 C ATOM 81 C TRP A 6 -3.824 -6.900 -2.070 1.00 0.00 C ATOM 82 O TRP A 6 -4.664 -7.495 -1.391 1.00 0.00 O ATOM 83 CB TRP A 6 -4.484 -4.838 -3.386 1.00 0.00 C ATOM 84 CG TRP A 6 -4.455 -4.110 -4.694 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.512 -3.995 -5.527 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.303 -3.628 -5.457 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.127 -3.366 -6.693 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.766 -3.162 -6.727 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.917 -3.514 -5.197 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.899 -2.635 -7.694 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -1.039 -2.970 -6.160 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.526 -2.544 -7.408 1.00 0.00 C ATOM 0 H TRP A 6 -6.158 -6.626 -4.045 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.271 -6.482 -4.060 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.472 -4.714 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.770 -4.366 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.511 -4.344 -5.312 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.769 -3.088 -7.435 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.525 -3.848 -4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.282 -2.303 -8.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.014 -2.881 -5.936 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.845 -2.147 -8.147 1.00 0.00 H new ATOM 103 N GLU A 7 -2.587 -6.667 -1.633 1.00 0.00 N ATOM 104 CA GLU A 7 -2.046 -7.008 -0.315 1.00 0.00 C ATOM 105 C GLU A 7 -0.972 -5.984 0.106 1.00 0.00 C ATOM 106 O GLU A 7 -0.214 -5.485 -0.734 1.00 0.00 O ATOM 107 CB GLU A 7 -1.515 -8.458 -0.359 1.00 0.00 C ATOM 108 CG GLU A 7 -0.640 -8.958 0.806 1.00 0.00 C ATOM 109 CD GLU A 7 -1.270 -8.894 2.218 1.00 0.00 C ATOM 110 OE1 GLU A 7 -2.242 -8.138 2.453 1.00 0.00 O ATOM 111 OE2 GLU A 7 -0.776 -9.614 3.121 1.00 0.00 O ATOM 0 H GLU A 7 -1.893 -6.208 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.825 -6.959 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.375 -9.123 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.940 -8.572 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.360 -9.992 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.281 -8.375 0.816 1.00 0.00 H new ATOM 118 N LYS A 8 -0.900 -5.651 1.402 1.00 0.00 N ATOM 119 CA LYS A 8 0.141 -4.762 1.950 1.00 0.00 C ATOM 120 C LYS A 8 1.518 -5.428 2.009 1.00 0.00 C ATOM 121 O LYS A 8 1.639 -6.627 2.275 1.00 0.00 O ATOM 122 CB LYS A 8 -0.262 -4.178 3.314 1.00 0.00 C ATOM 123 CG LYS A 8 -1.227 -3.006 3.099 1.00 0.00 C ATOM 124 CD LYS A 8 -1.674 -2.326 4.398 1.00 0.00 C ATOM 125 CE LYS A 8 -0.541 -1.471 4.984 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.955 -0.800 6.243 1.00 0.00 N ATOM 0 H LYS A 8 -1.560 -5.989 2.102 1.00 0.00 H new ATOM 0 HA LYS A 8 0.228 -3.931 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.735 -4.946 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.623 -3.841 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.748 -2.266 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.107 -3.366 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.545 -1.700 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.978 -3.081 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.328 -2.100 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.237 -0.720 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.165 -0.232 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.769 -0.180 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.222 -1.517 6.947 1.00 0.00 H new ATOM 140 N ARG A 9 2.556 -4.626 1.777 1.00 0.00 N ATOM 141 CA ARG A 9 3.966 -5.028 1.619 1.00 0.00 C ATOM 142 C ARG A 9 4.899 -4.026 2.311 1.00 0.00 C ATOM 143 O ARG A 9 4.500 -2.898 2.599 1.00 0.00 O ATOM 144 CB ARG A 9 4.272 -5.131 0.108 1.00 0.00 C ATOM 145 CG ARG A 9 4.694 -6.524 -0.379 1.00 0.00 C ATOM 146 CD ARG A 9 3.608 -7.588 -0.164 1.00 0.00 C ATOM 147 NE ARG A 9 3.835 -8.759 -1.037 1.00 0.00 N ATOM 148 CZ ARG A 9 4.068 -10.010 -0.683 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.191 -10.384 0.560 1.00 0.00 N ATOM 150 NH2 ARG A 9 4.187 -10.929 -1.598 1.00 0.00 N ATOM 0 H ARG A 9 2.436 -3.617 1.688 1.00 0.00 H new ATOM 0 HA ARG A 9 4.135 -5.996 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.387 -4.822 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.064 -4.423 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.940 -6.473 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.601 -6.827 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.604 -7.903 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.628 -7.159 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 9 3.808 -8.578 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.107 -9.698 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.371 -11.363 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.100 -10.682 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.367 -11.896 -1.329 1.00 0.00 H new ATOM 164 N MET A 10 6.149 -4.418 2.569 1.00 0.00 N ATOM 165 CA MET A 10 7.132 -3.555 3.240 1.00 0.00 C ATOM 166 C MET A 10 8.582 -3.932 2.891 1.00 0.00 C ATOM 167 O MET A 10 8.944 -5.111 2.858 1.00 0.00 O ATOM 168 CB MET A 10 6.905 -3.604 4.764 1.00 0.00 C ATOM 169 CG MET A 10 7.677 -2.509 5.511 1.00 0.00 C ATOM 170 SD MET A 10 7.509 -2.555 7.317 1.00 0.00 S ATOM 171 CE MET A 10 8.586 -3.965 7.700 1.00 0.00 C ATOM 0 H MET A 10 6.510 -5.339 2.321 1.00 0.00 H new ATOM 0 HA MET A 10 6.983 -2.537 2.880 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.840 -3.499 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.209 -4.580 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.734 -2.591 5.256 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.338 -1.537 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 10 8.639 -4.099 8.780 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.181 -4.867 7.242 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.585 -3.776 7.308 1.00 0.00 H new ATOM 181 N PHE A 11 9.413 -2.917 2.648 1.00 0.00 N ATOM 182 CA PHE A 11 10.865 -3.024 2.484 1.00 0.00 C ATOM 183 C PHE A 11 11.658 -3.372 3.754 1.00 0.00 C ATOM 184 O PHE A 11 11.203 -3.102 4.869 1.00 0.00 O ATOM 185 CB PHE A 11 11.412 -1.768 1.785 1.00 0.00 C ATOM 186 CG PHE A 11 11.070 -1.672 0.310 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.774 -2.447 -0.632 1.00 0.00 C ATOM 188 CD2 PHE A 11 10.056 -0.798 -0.126 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.461 -2.352 -2.000 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.749 -0.696 -1.494 1.00 0.00 C ATOM 191 CZ PHE A 11 10.450 -1.477 -2.432 1.00 0.00 C ATOM 0 H PHE A 11 9.079 -1.958 2.556 1.00 0.00 H new ATOM 0 HA PHE A 11 11.022 -3.896 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.023 -0.886 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.496 -1.748 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.556 -3.116 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.512 -0.204 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.998 -2.952 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.976 -0.019 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.211 -1.404 -3.483 1.00 0.00 H new ATOM 201 N ALA A 12 12.878 -3.896 3.603 1.00 0.00 N ATOM 202 CA ALA A 12 13.773 -4.212 4.726 1.00 0.00 C ATOM 203 C ALA A 12 14.159 -2.980 5.582 1.00 0.00 C ATOM 204 O ALA A 12 14.499 -3.126 6.759 1.00 0.00 O ATOM 205 CB ALA A 12 15.018 -4.901 4.153 1.00 0.00 C ATOM 0 H ALA A 12 13.278 -4.116 2.691 1.00 0.00 H new ATOM 0 HA ALA A 12 13.242 -4.871 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.703 -5.148 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.723 -5.814 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.514 -4.231 3.451 1.00 0.00 H new ATOM 211 N ASN A 13 14.077 -1.769 5.013 1.00 0.00 N ATOM 212 CA ASN A 13 14.301 -0.494 5.712 1.00 0.00 C ATOM 213 C ASN A 13 13.070 0.039 6.491 1.00 0.00 C ATOM 214 O ASN A 13 13.165 1.083 7.141 1.00 0.00 O ATOM 215 CB ASN A 13 14.861 0.534 4.704 1.00 0.00 C ATOM 216 CG ASN A 13 13.895 0.957 3.604 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.678 0.891 3.765 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.434 1.449 2.496 1.00 0.00 N ATOM 0 H ASN A 13 13.847 -1.645 4.027 1.00 0.00 H new ATOM 0 HA ASN A 13 15.034 -0.673 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.174 1.423 5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.754 0.115 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.834 1.788 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.448 1.489 2.396 1.00 0.00 H new ATOM 224 N GLY A 14 11.920 -0.649 6.431 1.00 0.00 N ATOM 225 CA GLY A 14 10.675 -0.262 7.112 1.00 0.00 C ATOM 226 C GLY A 14 9.714 0.622 6.299 1.00 0.00 C ATOM 227 O GLY A 14 8.819 1.238 6.884 1.00 0.00 O ATOM 0 H GLY A 14 11.828 -1.511 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.145 -1.169 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.934 0.265 8.030 1.00 0.00 H new ATOM 231 N THR A 15 9.859 0.692 4.970 1.00 0.00 N ATOM 232 CA THR A 15 9.006 1.504 4.078 1.00 0.00 C ATOM 233 C THR A 15 7.872 0.649 3.513 1.00 0.00 C ATOM 234 O THR A 15 8.123 -0.395 2.912 1.00 0.00 O ATOM 235 CB THR A 15 9.845 2.072 2.920 1.00 0.00 C ATOM 236 OG1 THR A 15 10.859 2.906 3.433 1.00 0.00 O ATOM 237 CG2 THR A 15 9.039 2.886 1.913 1.00 0.00 C ATOM 0 H THR A 15 10.585 0.178 4.470 1.00 0.00 H new ATOM 0 HA THR A 15 8.583 2.327 4.654 1.00 0.00 H new ATOM 0 HB THR A 15 10.251 1.206 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.658 2.371 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.701 3.252 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.266 2.257 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.573 3.732 2.418 1.00 0.00 H new ATOM 245 N VAL A 16 6.621 1.090 3.676 1.00 0.00 N ATOM 246 CA VAL A 16 5.410 0.318 3.338 1.00 0.00 C ATOM 247 C VAL A 16 4.932 0.681 1.927 1.00 0.00 C ATOM 248 O VAL A 16 4.985 1.843 1.516 1.00 0.00 O ATOM 249 CB VAL A 16 4.305 0.594 4.383 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.939 -0.004 4.025 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.706 0.030 5.753 1.00 0.00 C ATOM 0 H VAL A 16 6.412 2.014 4.055 1.00 0.00 H new ATOM 0 HA VAL A 16 5.643 -0.747 3.355 1.00 0.00 H new ATOM 0 HB VAL A 16 4.206 1.679 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.220 0.235 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.596 0.414 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.029 -1.086 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.916 0.234 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.856 -1.047 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.631 0.502 6.084 1.00 0.00 H new ATOM 261 N TYR A 17 4.452 -0.321 1.189 1.00 0.00 N ATOM 262 CA TYR A 17 3.907 -0.201 -0.169 1.00 0.00 C ATOM 263 C TYR A 17 2.852 -1.307 -0.398 1.00 0.00 C ATOM 264 O TYR A 17 2.469 -2.031 0.527 1.00 0.00 O ATOM 265 CB TYR A 17 5.066 -0.275 -1.186 1.00 0.00 C ATOM 266 CG TYR A 17 5.785 -1.609 -1.322 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.814 -1.958 -0.424 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.475 -2.467 -2.399 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.541 -3.150 -0.611 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.190 -3.667 -2.580 1.00 0.00 C ATOM 271 CZ TYR A 17 7.234 -4.006 -1.693 1.00 0.00 C ATOM 272 OH TYR A 17 7.931 -5.159 -1.875 1.00 0.00 O ATOM 0 H TYR A 17 4.430 -1.281 1.534 1.00 0.00 H new ATOM 0 HA TYR A 17 3.408 0.759 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.675 -0.000 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.803 0.480 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.045 -1.310 0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.686 -2.202 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.335 -3.410 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.939 -4.327 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 17 7.589 -5.627 -2.665 1.00 0.00 H new ATOM 282 N TYR A 18 2.351 -1.421 -1.627 1.00 0.00 N ATOM 283 CA TYR A 18 1.265 -2.318 -2.025 1.00 0.00 C ATOM 284 C TYR A 18 1.631 -3.269 -3.164 1.00 0.00 C ATOM 285 O TYR A 18 2.382 -2.901 -4.070 1.00 0.00 O ATOM 286 CB TYR A 18 0.014 -1.499 -2.358 1.00 0.00 C ATOM 287 CG TYR A 18 -0.539 -0.756 -1.163 1.00 0.00 C ATOM 288 CD1 TYR A 18 -0.076 0.541 -0.869 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.507 -1.364 -0.345 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.576 1.233 0.247 1.00 0.00 C ATOM 291 CE2 TYR A 18 -2.027 -0.666 0.760 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.555 0.630 1.068 1.00 0.00 C ATOM 293 OH TYR A 18 -2.055 1.305 2.137 1.00 0.00 O ATOM 0 H TYR A 18 2.706 -0.867 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 18 1.062 -2.966 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.253 -0.784 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.754 -2.163 -2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.665 1.005 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.851 -2.364 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.213 2.224 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.789 -1.122 1.375 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.719 0.748 2.594 1.00 0.00 H new ATOM 303 N PHE A 19 1.075 -4.479 -3.138 1.00 0.00 N ATOM 304 CA PHE A 19 1.334 -5.549 -4.099 1.00 0.00 C ATOM 305 C PHE A 19 0.090 -6.308 -4.568 1.00 0.00 C ATOM 306 O PHE A 19 -0.744 -6.684 -3.746 1.00 0.00 O ATOM 307 CB PHE A 19 2.451 -6.452 -3.567 1.00 0.00 C ATOM 308 CG PHE A 19 2.636 -7.784 -4.269 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.514 -7.873 -5.365 1.00 0.00 C ATOM 310 CD2 PHE A 19 1.976 -8.942 -3.808 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.735 -9.109 -5.996 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.215 -10.180 -4.426 1.00 0.00 C ATOM 313 CZ PHE A 19 3.089 -10.265 -5.524 1.00 0.00 C ATOM 0 H PHE A 19 0.405 -4.751 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 19 1.678 -5.082 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.391 -5.903 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.259 -6.646 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.020 -6.988 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.286 -8.877 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.401 -9.171 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.726 -11.069 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.264 -11.217 -6.004 1.00 0.00 H new ATOM 323 N ASN A 20 -0.055 -6.538 -5.870 1.00 0.00 N ATOM 324 CA ASN A 20 -1.166 -7.293 -6.440 1.00 0.00 C ATOM 325 C ASN A 20 -0.742 -8.760 -6.611 1.00 0.00 C ATOM 326 O ASN A 20 0.087 -9.076 -7.465 1.00 0.00 O ATOM 327 CB ASN A 20 -1.588 -6.619 -7.753 1.00 0.00 C ATOM 328 CG ASN A 20 -2.871 -7.214 -8.305 1.00 0.00 C ATOM 329 OD1 ASN A 20 -3.058 -8.422 -8.343 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.780 -6.397 -8.782 1.00 0.00 N ATOM 0 H ASN A 20 0.606 -6.200 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.036 -7.295 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.725 -5.551 -7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.791 -6.726 -8.489 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.640 -6.770 -9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.626 -5.389 -8.751 1.00 0.00 H new ATOM 337 N HIS A 21 -1.306 -9.669 -5.812 1.00 0.00 N ATOM 338 CA HIS A 21 -0.912 -11.087 -5.821 1.00 0.00 C ATOM 339 C HIS A 21 -1.493 -11.881 -7.008 1.00 0.00 C ATOM 340 O HIS A 21 -1.017 -12.980 -7.301 1.00 0.00 O ATOM 341 CB HIS A 21 -1.201 -11.720 -4.446 1.00 0.00 C ATOM 342 CG HIS A 21 -2.471 -12.535 -4.345 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.544 -13.932 -4.357 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.735 -12.031 -4.263 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.852 -14.235 -4.263 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.587 -13.112 -4.199 1.00 0.00 N ATOM 0 H HIS A 21 -2.044 -9.449 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 21 0.164 -11.136 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.360 -12.360 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.244 -10.923 -3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.014 -10.988 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.253 -15.237 -4.242 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.603 -13.067 -4.117 1.00 0.00 H new ATOM 354 N ILE A 22 -2.470 -11.318 -7.733 1.00 0.00 N ATOM 355 CA ILE A 22 -3.043 -11.901 -8.953 1.00 0.00 C ATOM 356 C ILE A 22 -2.131 -11.639 -10.165 1.00 0.00 C ATOM 357 O ILE A 22 -1.939 -12.520 -11.007 1.00 0.00 O ATOM 358 CB ILE A 22 -4.444 -11.296 -9.225 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.385 -11.274 -7.997 1.00 0.00 C ATOM 360 CG2 ILE A 22 -5.115 -12.003 -10.411 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.742 -12.647 -7.415 1.00 0.00 C ATOM 0 H ILE A 22 -2.893 -10.425 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.132 -12.977 -8.805 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.267 -10.249 -9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.918 -10.677 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.308 -10.766 -8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.097 -11.565 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.499 -11.883 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.226 -13.064 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.405 -12.518 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.243 -13.245 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.832 -13.155 -7.096 1.00 0.00 H new ATOM 373 N THR A 23 -1.557 -10.432 -10.247 1.00 0.00 N ATOM 374 CA THR A 23 -0.824 -9.902 -11.417 1.00 0.00 C ATOM 375 C THR A 23 0.680 -9.674 -11.232 1.00 0.00 C ATOM 376 O THR A 23 1.389 -9.399 -12.203 1.00 0.00 O ATOM 377 CB THR A 23 -1.495 -8.628 -11.962 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.154 -7.534 -11.141 1.00 0.00 O ATOM 379 CG2 THR A 23 -3.021 -8.676 -12.022 1.00 0.00 C ATOM 0 H THR A 23 -1.588 -9.768 -9.473 1.00 0.00 H new ATOM 0 HA THR A 23 -0.889 -10.710 -12.146 1.00 0.00 H new ATOM 0 HB THR A 23 -1.129 -8.534 -12.984 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.578 -6.721 -11.486 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.399 -7.734 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.334 -9.495 -12.670 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.420 -8.834 -11.020 1.00 0.00 H new ATOM 387 N ASN A 24 1.175 -9.788 -9.996 1.00 0.00 N ATOM 388 CA ASN A 24 2.530 -9.442 -9.546 1.00 0.00 C ATOM 389 C ASN A 24 2.919 -7.949 -9.694 1.00 0.00 C ATOM 390 O ASN A 24 4.095 -7.603 -9.555 1.00 0.00 O ATOM 391 CB ASN A 24 3.569 -10.432 -10.114 1.00 0.00 C ATOM 392 CG ASN A 24 3.264 -11.876 -9.754 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.216 -12.259 -8.592 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.093 -12.740 -10.731 1.00 0.00 N ATOM 0 H ASN A 24 0.604 -10.148 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 24 2.527 -9.563 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.604 -10.332 -11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.558 -10.170 -9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.922 -13.723 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.132 -12.427 -11.701 1.00 0.00 H new ATOM 401 N ALA A 25 1.957 -7.052 -9.954 1.00 0.00 N ATOM 402 CA ALA A 25 2.175 -5.599 -9.941 1.00 0.00 C ATOM 403 C ALA A 25 2.442 -5.052 -8.519 1.00 0.00 C ATOM 404 O ALA A 25 2.095 -5.687 -7.520 1.00 0.00 O ATOM 405 CB ALA A 25 0.964 -4.912 -10.586 1.00 0.00 C ATOM 0 H ALA A 25 0.999 -7.317 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 25 3.074 -5.379 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.114 -3.832 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.853 -5.260 -11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.064 -5.155 -10.021 1.00 0.00 H new ATOM 411 N SER A 26 3.022 -3.852 -8.414 1.00 0.00 N ATOM 412 CA SER A 26 3.272 -3.166 -7.133 1.00 0.00 C ATOM 413 C SER A 26 3.313 -1.638 -7.260 1.00 0.00 C ATOM 414 O SER A 26 3.709 -1.107 -8.302 1.00 0.00 O ATOM 415 CB SER A 26 4.560 -3.682 -6.468 1.00 0.00 C ATOM 416 OG SER A 26 5.694 -3.551 -7.315 1.00 0.00 O ATOM 0 H SER A 26 3.337 -3.319 -9.225 1.00 0.00 H new ATOM 0 HA SER A 26 2.421 -3.406 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.734 -3.132 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.431 -4.730 -6.196 1.00 0.00 H new ATOM 0 HG SER A 26 6.489 -3.889 -6.852 1.00 0.00 H new ATOM 422 N GLN A 27 2.921 -0.928 -6.196 1.00 0.00 N ATOM 423 CA GLN A 27 2.855 0.542 -6.146 1.00 0.00 C ATOM 424 C GLN A 27 2.972 1.083 -4.707 1.00 0.00 C ATOM 425 O GLN A 27 2.539 0.432 -3.757 1.00 0.00 O ATOM 426 CB GLN A 27 1.560 1.019 -6.835 1.00 0.00 C ATOM 427 CG GLN A 27 0.251 0.600 -6.151 1.00 0.00 C ATOM 428 CD GLN A 27 -0.962 1.099 -6.939 1.00 0.00 C ATOM 429 OE1 GLN A 27 -1.241 0.675 -8.053 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.689 2.069 -6.431 1.00 0.00 N ATOM 0 H GLN A 27 2.633 -1.368 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 27 3.712 0.945 -6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.583 2.107 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.553 0.640 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.212 -0.486 -6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.221 1.001 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.473 2.436 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.469 2.454 -6.963 1.00 0.00 H new ATOM 439 N PHE A 28 3.549 2.276 -4.532 1.00 0.00 N ATOM 440 CA PHE A 28 3.672 2.951 -3.228 1.00 0.00 C ATOM 441 C PHE A 28 2.440 3.713 -2.715 1.00 0.00 C ATOM 442 O PHE A 28 2.033 3.552 -1.561 1.00 0.00 O ATOM 443 CB PHE A 28 4.994 3.732 -3.146 1.00 0.00 C ATOM 444 CG PHE A 28 5.059 4.773 -2.042 1.00 0.00 C ATOM 445 CD1 PHE A 28 4.617 6.090 -2.285 1.00 0.00 C ATOM 446 CD2 PHE A 28 5.539 4.423 -0.765 1.00 0.00 C ATOM 447 CE1 PHE A 28 4.646 7.047 -1.254 1.00 0.00 C ATOM 448 CE2 PHE A 28 5.575 5.382 0.263 1.00 0.00 C ATOM 449 CZ PHE A 28 5.127 6.694 0.020 1.00 0.00 C ATOM 0 H PHE A 28 3.951 2.811 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 28 3.709 2.146 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.809 3.022 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.166 4.227 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.255 6.365 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.880 3.416 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.299 8.053 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.947 5.111 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.152 7.429 0.811 1.00 0.00 H new ATOM 459 N GLU A 29 1.815 4.510 -3.584 1.00 0.00 N ATOM 460 CA GLU A 29 0.513 5.138 -3.321 1.00 0.00 C ATOM 461 C GLU A 29 -0.583 4.064 -3.249 1.00 0.00 C ATOM 462 O GLU A 29 -0.591 3.140 -4.067 1.00 0.00 O ATOM 463 CB GLU A 29 0.241 6.198 -4.404 1.00 0.00 C ATOM 464 CG GLU A 29 -1.190 6.757 -4.500 1.00 0.00 C ATOM 465 CD GLU A 29 -1.715 7.499 -3.249 1.00 0.00 C ATOM 466 OE1 GLU A 29 -2.779 8.156 -3.353 1.00 0.00 O ATOM 467 OE2 GLU A 29 -1.095 7.437 -2.160 1.00 0.00 O ATOM 0 H GLU A 29 2.200 4.742 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 29 0.518 5.644 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.919 7.034 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.500 5.767 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.236 7.440 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.867 5.931 -4.719 1.00 0.00 H new ATOM 474 N ARG A 30 -1.506 4.149 -2.282 1.00 0.00 N ATOM 475 CA ARG A 30 -2.445 3.045 -2.017 1.00 0.00 C ATOM 476 C ARG A 30 -3.440 2.780 -3.167 1.00 0.00 C ATOM 477 O ARG A 30 -3.829 3.714 -3.876 1.00 0.00 O ATOM 478 CB ARG A 30 -3.124 3.204 -0.648 1.00 0.00 C ATOM 479 CG ARG A 30 -4.210 4.283 -0.567 1.00 0.00 C ATOM 480 CD ARG A 30 -5.442 3.771 0.191 1.00 0.00 C ATOM 481 NE ARG A 30 -6.151 2.675 -0.515 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.207 2.036 -0.040 1.00 0.00 C ATOM 483 NH1 ARG A 30 -7.855 1.198 -0.785 1.00 0.00 N ATOM 484 NH2 ARG A 30 -7.662 2.211 1.168 1.00 0.00 N ATOM 0 H ARG A 30 -1.624 4.960 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.845 2.136 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.566 2.248 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.357 3.429 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.813 5.166 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.499 4.589 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.134 3.420 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.133 4.599 0.349 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.799 2.395 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.552 1.028 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.669 0.708 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.199 2.867 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.481 1.692 1.485 1.00 0.00 H new ATOM 498 N PRO A 31 -3.866 1.518 -3.361 1.00 0.00 N ATOM 499 CA PRO A 31 -4.723 1.109 -4.474 1.00 0.00 C ATOM 500 C PRO A 31 -6.183 1.550 -4.343 1.00 0.00 C ATOM 501 O PRO A 31 -6.664 1.843 -3.248 1.00 0.00 O ATOM 502 CB PRO A 31 -4.603 -0.412 -4.499 1.00 0.00 C ATOM 503 CG PRO A 31 -4.338 -0.794 -3.050 1.00 0.00 C ATOM 504 CD PRO A 31 -3.431 0.343 -2.614 1.00 0.00 C ATOM 0 HA PRO A 31 -4.401 1.587 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.516 -0.877 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.791 -0.736 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.254 -0.840 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.853 -1.766 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.509 0.513 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.387 0.111 -2.825 1.00 0.00 H new