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= 0.587 K(o=1.8,f=-5.7!) USER MOD Set 1.2: A 15 THR OG1 : rot 88:sc= 1.19 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 173:sc= -0.02 (180deg=-0.0616) 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= -0.242 K(o=-0.24,f=-6.5!) 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=0.000692 USER MOD Single : A 24 ASN : amide:sc= 0.0762 X(o=0.076,f=-0.11) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1 K(o=1,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.869 -2.809 3.160 1.00 0.00 N ATOM 2 CA LYS A 1 -10.974 -1.630 2.989 1.00 0.00 C ATOM 3 C LYS A 1 -10.155 -1.672 1.693 1.00 0.00 C ATOM 4 O LYS A 1 -10.243 -0.740 0.889 1.00 0.00 O ATOM 5 CB LYS A 1 -10.097 -1.331 4.230 1.00 0.00 C ATOM 6 CG LYS A 1 -9.246 -2.502 4.768 1.00 0.00 C ATOM 7 CD LYS A 1 -8.241 -2.067 5.846 1.00 0.00 C ATOM 8 CE LYS A 1 -7.094 -1.225 5.264 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.112 -0.863 6.318 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.394 -2.720 4.054 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.541 -2.853 2.367 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.298 -3.678 3.179 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.652 -0.782 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.427 -0.507 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.748 -0.985 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.907 -3.264 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.706 -2.962 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.759 -1.491 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.830 -2.950 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.594 -1.783 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.497 -0.319 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.348 -0.295 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.587 -0.311 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.713 -1.729 6.733 1.00 0.00 H new ATOM 25 N LEU A 2 -9.321 -2.699 1.489 1.00 0.00 N ATOM 26 CA LEU A 2 -8.404 -2.834 0.352 1.00 0.00 C ATOM 27 C LEU A 2 -9.094 -3.521 -0.855 1.00 0.00 C ATOM 28 O LEU A 2 -9.828 -4.494 -0.639 1.00 0.00 O ATOM 29 CB LEU A 2 -7.174 -3.613 0.865 1.00 0.00 C ATOM 30 CG LEU A 2 -5.913 -3.491 -0.001 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.283 -2.102 0.113 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.865 -4.493 0.475 1.00 0.00 C ATOM 0 H LEU A 2 -9.265 -3.487 2.135 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.093 -1.859 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.939 -3.266 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.439 -4.667 0.945 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.213 -3.678 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.393 -2.054 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.000 -1.349 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.007 -1.912 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.970 -4.404 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.611 -4.287 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.264 -5.504 0.392 1.00 0.00 H new ATOM 44 N PRO A 3 -8.904 -3.054 -2.107 1.00 0.00 N ATOM 45 CA PRO A 3 -9.560 -3.628 -3.287 1.00 0.00 C ATOM 46 C PRO A 3 -9.079 -5.057 -3.628 1.00 0.00 C ATOM 47 O PRO A 3 -7.992 -5.463 -3.198 1.00 0.00 O ATOM 48 CB PRO A 3 -9.291 -2.645 -4.435 1.00 0.00 C ATOM 49 CG PRO A 3 -8.021 -1.920 -4.002 1.00 0.00 C ATOM 50 CD PRO A 3 -8.148 -1.873 -2.489 1.00 0.00 C ATOM 0 HA PRO A 3 -10.627 -3.751 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.152 -3.165 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.121 -1.952 -4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.125 -2.456 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.961 -0.920 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.166 -1.870 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.658 -0.964 -2.170 1.00 0.00 H new ATOM 58 N PRO A 4 -9.853 -5.828 -4.425 1.00 0.00 N ATOM 59 CA PRO A 4 -9.532 -7.211 -4.790 1.00 0.00 C ATOM 60 C PRO A 4 -8.140 -7.394 -5.414 1.00 0.00 C ATOM 61 O PRO A 4 -7.686 -6.580 -6.221 1.00 0.00 O ATOM 62 CB PRO A 4 -10.637 -7.662 -5.751 1.00 0.00 C ATOM 63 CG PRO A 4 -11.827 -6.805 -5.331 1.00 0.00 C ATOM 64 CD PRO A 4 -11.168 -5.480 -4.955 1.00 0.00 C ATOM 0 HA PRO A 4 -9.493 -7.821 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.362 -7.489 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.850 -8.726 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.546 -6.684 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.365 -7.243 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.080 -4.827 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.760 -4.945 -4.212 1.00 0.00 H new ATOM 72 N GLY A 5 -7.463 -8.483 -5.036 1.00 0.00 N ATOM 73 CA GLY A 5 -6.128 -8.859 -5.518 1.00 0.00 C ATOM 74 C GLY A 5 -4.947 -8.129 -4.862 1.00 0.00 C ATOM 75 O GLY A 5 -3.829 -8.640 -4.914 1.00 0.00 O ATOM 0 H GLY A 5 -7.841 -9.150 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.997 -9.930 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.088 -8.682 -6.593 1.00 0.00 H new ATOM 79 N TRP A 6 -5.162 -6.980 -4.213 1.00 0.00 N ATOM 80 CA TRP A 6 -4.115 -6.251 -3.486 1.00 0.00 C ATOM 81 C TRP A 6 -3.816 -6.807 -2.085 1.00 0.00 C ATOM 82 O TRP A 6 -4.671 -7.405 -1.427 1.00 0.00 O ATOM 83 CB TRP A 6 -4.430 -4.751 -3.433 1.00 0.00 C ATOM 84 CG TRP A 6 -4.370 -4.035 -4.747 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.413 -3.900 -5.595 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.199 -3.575 -5.494 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.003 -3.266 -6.749 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.637 -3.081 -6.762 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.817 -3.494 -5.216 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.748 -2.551 -7.709 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.915 -2.953 -6.158 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.378 -2.490 -7.403 1.00 0.00 C ATOM 0 H TRP A 6 -6.074 -6.525 -4.177 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.199 -6.403 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.427 -4.621 -3.013 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.730 -4.274 -2.746 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.419 -4.239 -5.398 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.630 -2.972 -7.497 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.444 -3.852 -4.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.112 -2.194 -8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.137 -2.894 -5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.681 -2.088 -8.123 1.00 0.00 H new ATOM 103 N GLU A 7 -2.598 -6.554 -1.607 1.00 0.00 N ATOM 104 CA GLU A 7 -2.094 -6.866 -0.270 1.00 0.00 C ATOM 105 C GLU A 7 -1.084 -5.784 0.159 1.00 0.00 C ATOM 106 O GLU A 7 -0.308 -5.295 -0.670 1.00 0.00 O ATOM 107 CB GLU A 7 -1.418 -8.252 -0.314 1.00 0.00 C ATOM 108 CG GLU A 7 -1.048 -8.818 1.074 1.00 0.00 C ATOM 109 CD GLU A 7 0.316 -9.547 1.161 1.00 0.00 C ATOM 110 OE1 GLU A 7 1.151 -9.480 0.226 1.00 0.00 O ATOM 111 OE2 GLU A 7 0.557 -10.217 2.196 1.00 0.00 O ATOM 0 H GLU A 7 -1.891 -6.095 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.909 -6.885 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.085 -8.954 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.514 -8.184 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.047 -7.998 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.830 -9.511 1.383 1.00 0.00 H new ATOM 118 N LYS A 8 -1.067 -5.396 1.442 1.00 0.00 N ATOM 119 CA LYS A 8 0.004 -4.540 1.981 1.00 0.00 C ATOM 120 C LYS A 8 1.337 -5.286 2.029 1.00 0.00 C ATOM 121 O LYS A 8 1.388 -6.488 2.309 1.00 0.00 O ATOM 122 CB LYS A 8 -0.361 -3.934 3.344 1.00 0.00 C ATOM 123 CG LYS A 8 -1.272 -2.725 3.119 1.00 0.00 C ATOM 124 CD LYS A 8 -1.696 -2.019 4.412 1.00 0.00 C ATOM 125 CE LYS A 8 -0.535 -1.188 4.978 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.907 -0.513 6.248 1.00 0.00 N ATOM 0 H LYS A 8 -1.778 -5.659 2.124 1.00 0.00 H new ATOM 0 HA LYS A 8 0.119 -3.702 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.865 -4.676 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.541 -3.633 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.758 -2.009 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.165 -3.049 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.552 -1.373 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.015 -2.757 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.325 -1.835 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.232 -0.441 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.097 0.038 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.712 0.124 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.172 -1.227 6.956 1.00 0.00 H new ATOM 140 N ARG A 9 2.416 -4.555 1.759 1.00 0.00 N ATOM 141 CA ARG A 9 3.777 -5.074 1.538 1.00 0.00 C ATOM 142 C ARG A 9 4.807 -4.113 2.149 1.00 0.00 C ATOM 143 O ARG A 9 4.493 -2.946 2.388 1.00 0.00 O ATOM 144 CB ARG A 9 3.954 -5.259 0.015 1.00 0.00 C ATOM 145 CG ARG A 9 4.850 -6.436 -0.395 1.00 0.00 C ATOM 146 CD ARG A 9 4.202 -7.806 -0.136 1.00 0.00 C ATOM 147 NE ARG A 9 5.040 -8.885 -0.695 1.00 0.00 N ATOM 148 CZ ARG A 9 4.650 -10.087 -1.081 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.435 -10.529 -0.937 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.510 -10.900 -1.627 1.00 0.00 N ATOM 0 H ARG A 9 2.371 -3.539 1.683 1.00 0.00 H new ATOM 0 HA ARG A 9 3.932 -6.035 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.971 -5.396 -0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.371 -4.342 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.091 -6.349 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.791 -6.376 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.071 -7.957 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.210 -7.837 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 9 6.034 -8.679 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.725 -9.937 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.193 -11.467 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.479 -10.607 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.214 -11.829 -1.927 1.00 0.00 H new ATOM 164 N MET A 10 6.022 -4.580 2.444 1.00 0.00 N ATOM 165 CA MET A 10 6.993 -3.795 3.223 1.00 0.00 C ATOM 166 C MET A 10 8.455 -4.185 2.951 1.00 0.00 C ATOM 167 O MET A 10 8.813 -5.365 2.956 1.00 0.00 O ATOM 168 CB MET A 10 6.641 -3.925 4.717 1.00 0.00 C ATOM 169 CG MET A 10 7.513 -3.070 5.639 1.00 0.00 C ATOM 170 SD MET A 10 6.943 -3.109 7.361 1.00 0.00 S ATOM 171 CE MET A 10 8.135 -1.968 8.105 1.00 0.00 C ATOM 0 H MET A 10 6.361 -5.498 2.157 1.00 0.00 H new ATOM 0 HA MET A 10 6.918 -2.754 2.908 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.597 -3.646 4.859 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.734 -4.970 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.543 -3.424 5.592 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.513 -2.040 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.857 -1.776 9.141 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.131 -2.410 8.073 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.136 -1.030 7.550 1.00 0.00 H new ATOM 181 N PHE A 11 9.299 -3.174 2.729 1.00 0.00 N ATOM 182 CA PHE A 11 10.753 -3.284 2.592 1.00 0.00 C ATOM 183 C PHE A 11 11.535 -3.470 3.901 1.00 0.00 C ATOM 184 O PHE A 11 11.118 -2.983 4.956 1.00 0.00 O ATOM 185 CB PHE A 11 11.299 -2.107 1.769 1.00 0.00 C ATOM 186 CG PHE A 11 10.959 -2.155 0.291 1.00 0.00 C ATOM 187 CD1 PHE A 11 9.949 -1.323 -0.229 1.00 0.00 C ATOM 188 CD2 PHE A 11 11.658 -3.024 -0.569 1.00 0.00 C ATOM 189 CE1 PHE A 11 9.643 -1.357 -1.603 1.00 0.00 C ATOM 190 CE2 PHE A 11 11.346 -3.062 -1.941 1.00 0.00 C ATOM 191 CZ PHE A 11 10.338 -2.230 -2.457 1.00 0.00 C ATOM 0 H PHE A 11 8.972 -2.212 2.636 1.00 0.00 H new ATOM 0 HA PHE A 11 10.920 -4.220 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.911 -1.178 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.383 -2.077 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.408 -0.657 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.435 -3.662 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.874 -0.712 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.882 -3.731 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.098 -2.262 -3.509 1.00 0.00 H new ATOM 201 N ALA A 12 12.712 -4.098 3.832 1.00 0.00 N ATOM 202 CA ALA A 12 13.603 -4.297 4.983 1.00 0.00 C ATOM 203 C ALA A 12 14.122 -2.978 5.607 1.00 0.00 C ATOM 204 O ALA A 12 14.505 -2.957 6.779 1.00 0.00 O ATOM 205 CB ALA A 12 14.764 -5.189 4.529 1.00 0.00 C ATOM 0 H ALA A 12 13.080 -4.488 2.964 1.00 0.00 H new ATOM 0 HA ALA A 12 13.031 -4.774 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.444 -5.355 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.374 -6.146 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.301 -4.701 3.716 1.00 0.00 H new ATOM 211 N ASN A 13 14.111 -1.873 4.847 1.00 0.00 N ATOM 212 CA ASN A 13 14.483 -0.531 5.318 1.00 0.00 C ATOM 213 C ASN A 13 13.370 0.199 6.116 1.00 0.00 C ATOM 214 O ASN A 13 13.600 1.310 6.603 1.00 0.00 O ATOM 215 CB ASN A 13 14.996 0.298 4.121 1.00 0.00 C ATOM 216 CG ASN A 13 13.949 0.674 3.078 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.747 0.657 3.338 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.411 1.073 1.900 1.00 0.00 N ATOM 0 H ASN A 13 13.837 -1.888 3.865 1.00 0.00 H new ATOM 0 HA ASN A 13 15.284 -0.650 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.446 1.214 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.789 -0.264 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.762 1.379 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.415 1.074 1.720 1.00 0.00 H new ATOM 224 N GLY A 14 12.176 -0.397 6.250 1.00 0.00 N ATOM 225 CA GLY A 14 11.032 0.169 6.979 1.00 0.00 C ATOM 226 C GLY A 14 9.962 0.860 6.115 1.00 0.00 C ATOM 227 O GLY A 14 9.068 1.506 6.668 1.00 0.00 O ATOM 0 H GLY A 14 11.974 -1.310 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.554 -0.631 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.408 0.891 7.704 1.00 0.00 H new ATOM 231 N THR A 15 10.014 0.734 4.784 1.00 0.00 N ATOM 232 CA THR A 15 9.091 1.402 3.845 1.00 0.00 C ATOM 233 C THR A 15 7.916 0.497 3.467 1.00 0.00 C ATOM 234 O THR A 15 8.120 -0.604 2.956 1.00 0.00 O ATOM 235 CB THR A 15 9.851 1.825 2.576 1.00 0.00 C ATOM 236 OG1 THR A 15 10.931 2.662 2.918 1.00 0.00 O ATOM 237 CG2 THR A 15 8.988 2.566 1.562 1.00 0.00 C ATOM 0 H THR A 15 10.711 0.155 4.315 1.00 0.00 H new ATOM 0 HA THR A 15 8.688 2.283 4.345 1.00 0.00 H new ATOM 0 HB THR A 15 10.189 0.898 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.719 2.114 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.593 2.832 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.165 1.925 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.589 3.472 2.017 1.00 0.00 H new ATOM 245 N VAL A 16 6.682 0.965 3.673 1.00 0.00 N ATOM 246 CA VAL A 16 5.438 0.237 3.356 1.00 0.00 C ATOM 247 C VAL A 16 4.932 0.651 1.967 1.00 0.00 C ATOM 248 O VAL A 16 5.029 1.816 1.573 1.00 0.00 O ATOM 249 CB VAL A 16 4.375 0.511 4.442 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.992 -0.060 4.108 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.808 -0.096 5.785 1.00 0.00 C ATOM 0 H VAL A 16 6.510 1.886 4.076 1.00 0.00 H new ATOM 0 HA VAL A 16 5.637 -0.834 3.341 1.00 0.00 H new ATOM 0 HB VAL A 16 4.297 1.597 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.298 0.171 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.630 0.383 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.064 -1.141 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.047 0.107 6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.931 -1.173 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.754 0.347 6.096 1.00 0.00 H new ATOM 261 N TYR A 17 4.386 -0.314 1.226 1.00 0.00 N ATOM 262 CA TYR A 17 3.844 -0.166 -0.128 1.00 0.00 C ATOM 263 C TYR A 17 2.755 -1.244 -0.350 1.00 0.00 C ATOM 264 O TYR A 17 2.314 -1.914 0.590 1.00 0.00 O ATOM 265 CB TYR A 17 5.009 -0.291 -1.134 1.00 0.00 C ATOM 266 CG TYR A 17 5.654 -1.661 -1.288 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.587 -2.119 -0.337 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.381 -2.441 -2.431 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.261 -3.339 -0.537 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.049 -3.665 -2.630 1.00 0.00 C ATOM 271 CZ TYR A 17 7.006 -4.108 -1.692 1.00 0.00 C ATOM 272 OH TYR A 17 7.678 -5.271 -1.905 1.00 0.00 O ATOM 0 H TYR A 17 4.305 -1.270 1.571 1.00 0.00 H new ATOM 0 HA TYR A 17 3.377 0.808 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.645 0.022 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.785 0.416 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.786 -1.533 0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.657 -2.099 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.975 -3.687 0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.829 -4.265 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 17 7.378 -5.672 -2.747 1.00 0.00 H new ATOM 282 N TYR A 18 2.287 -1.392 -1.590 1.00 0.00 N ATOM 283 CA TYR A 18 1.193 -2.280 -1.987 1.00 0.00 C ATOM 284 C TYR A 18 1.575 -3.239 -3.120 1.00 0.00 C ATOM 285 O TYR A 18 2.292 -2.858 -4.049 1.00 0.00 O ATOM 286 CB TYR A 18 -0.048 -1.447 -2.332 1.00 0.00 C ATOM 287 CG TYR A 18 -0.594 -0.660 -1.156 1.00 0.00 C ATOM 288 CD1 TYR A 18 -0.113 0.639 -0.898 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.572 -1.225 -0.316 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.583 1.362 0.215 1.00 0.00 C ATOM 291 CE2 TYR A 18 -2.074 -0.487 0.772 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.562 0.798 1.056 1.00 0.00 C ATOM 293 OH TYR A 18 -2.024 1.501 2.124 1.00 0.00 O ATOM 0 H TYR A 18 2.676 -0.875 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 18 0.963 -2.923 -1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.200 -0.756 -3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.827 -2.109 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.619 1.082 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.937 -2.224 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.193 2.347 0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.853 -0.905 1.392 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.696 0.970 2.599 1.00 0.00 H new ATOM 303 N PHE A 19 1.079 -4.475 -3.062 1.00 0.00 N ATOM 304 CA PHE A 19 1.359 -5.555 -4.011 1.00 0.00 C ATOM 305 C PHE A 19 0.125 -6.313 -4.506 1.00 0.00 C ATOM 306 O PHE A 19 -0.711 -6.713 -3.697 1.00 0.00 O ATOM 307 CB PHE A 19 2.465 -6.465 -3.459 1.00 0.00 C ATOM 308 CG PHE A 19 2.657 -7.791 -4.174 1.00 0.00 C ATOM 309 CD1 PHE A 19 2.018 -8.960 -3.715 1.00 0.00 C ATOM 310 CD2 PHE A 19 3.512 -7.859 -5.290 1.00 0.00 C ATOM 311 CE1 PHE A 19 2.251 -10.189 -4.360 1.00 0.00 C ATOM 312 CE2 PHE A 19 3.735 -9.085 -5.941 1.00 0.00 C ATOM 313 CZ PHE A 19 3.105 -10.251 -5.475 1.00 0.00 C ATOM 0 H PHE A 19 0.443 -4.765 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 19 1.728 -5.087 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.407 -5.918 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.250 -6.669 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.349 -8.913 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.999 -6.964 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.773 -11.087 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.390 -9.130 -6.799 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.277 -11.194 -5.973 1.00 0.00 H new ATOM 323 N ASN A 20 -0.014 -6.514 -5.816 1.00 0.00 N ATOM 324 CA ASN A 20 -1.114 -7.268 -6.407 1.00 0.00 C ATOM 325 C ASN A 20 -0.691 -8.735 -6.588 1.00 0.00 C ATOM 326 O ASN A 20 0.149 -9.045 -7.432 1.00 0.00 O ATOM 327 CB ASN A 20 -1.523 -6.589 -7.723 1.00 0.00 C ATOM 328 CG ASN A 20 -2.803 -7.176 -8.292 1.00 0.00 C ATOM 329 OD1 ASN A 20 -3.010 -8.381 -8.313 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.690 -6.353 -8.799 1.00 0.00 N ATOM 0 H ASN A 20 0.645 -6.151 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.988 -7.273 -5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.658 -5.521 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.719 -6.697 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.549 -6.719 -9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.520 -5.347 -8.783 1.00 0.00 H new ATOM 337 N HIS A 21 -1.271 -9.651 -5.809 1.00 0.00 N ATOM 338 CA HIS A 21 -0.880 -11.070 -5.816 1.00 0.00 C ATOM 339 C HIS A 21 -1.431 -11.858 -7.022 1.00 0.00 C ATOM 340 O HIS A 21 -0.934 -12.947 -7.320 1.00 0.00 O ATOM 341 CB HIS A 21 -1.210 -11.707 -4.451 1.00 0.00 C ATOM 342 CG HIS A 21 -2.468 -12.544 -4.397 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.516 -13.942 -4.430 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.743 -12.065 -4.331 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.819 -14.269 -4.367 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.576 -13.162 -4.301 1.00 0.00 N ATOM 0 H HIS A 21 -2.024 -9.435 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 21 0.200 -11.122 -5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.369 -12.332 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.295 -10.911 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.042 -11.027 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.202 -15.279 -4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.594 -13.137 -4.239 1.00 0.00 H new ATOM 354 N ILE A 22 -2.401 -11.300 -7.759 1.00 0.00 N ATOM 355 CA ILE A 22 -2.963 -11.886 -8.985 1.00 0.00 C ATOM 356 C ILE A 22 -2.040 -11.622 -10.190 1.00 0.00 C ATOM 357 O ILE A 22 -1.838 -12.501 -11.031 1.00 0.00 O ATOM 358 CB ILE A 22 -4.361 -11.281 -9.268 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.318 -11.279 -8.053 1.00 0.00 C ATOM 360 CG2 ILE A 22 -5.020 -11.968 -10.473 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.692 -12.662 -7.506 1.00 0.00 C ATOM 0 H ILE A 22 -2.828 -10.407 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.052 -12.962 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.178 -10.231 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.858 -10.702 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.234 -10.759 -8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.000 -11.526 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.394 -11.833 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.134 -13.032 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.366 -12.547 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.187 -13.240 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.790 -13.183 -7.186 1.00 0.00 H new ATOM 373 N THR A 23 -1.470 -10.414 -10.263 1.00 0.00 N ATOM 374 CA THR A 23 -0.726 -9.876 -11.423 1.00 0.00 C ATOM 375 C THR A 23 0.772 -9.633 -11.211 1.00 0.00 C ATOM 376 O THR A 23 1.478 -9.260 -12.150 1.00 0.00 O ATOM 377 CB THR A 23 -1.399 -8.599 -11.960 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.080 -7.513 -11.120 1.00 0.00 O ATOM 379 CG2 THR A 23 -2.924 -8.656 -12.037 1.00 0.00 C ATOM 0 H THR A 23 -1.512 -9.753 -9.488 1.00 0.00 H new ATOM 0 HA THR A 23 -0.774 -10.678 -12.160 1.00 0.00 H new ATOM 0 HB THR A 23 -1.019 -8.490 -12.976 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.506 -6.699 -11.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.304 -7.712 -12.426 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.225 -9.469 -12.698 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.332 -8.828 -11.041 1.00 0.00 H new ATOM 387 N ASN A 24 1.254 -9.816 -9.977 1.00 0.00 N ATOM 388 CA ASN A 24 2.583 -9.463 -9.464 1.00 0.00 C ATOM 389 C ASN A 24 2.996 -7.981 -9.658 1.00 0.00 C ATOM 390 O ASN A 24 4.184 -7.655 -9.566 1.00 0.00 O ATOM 391 CB ASN A 24 3.655 -10.513 -9.835 1.00 0.00 C ATOM 392 CG ASN A 24 4.048 -10.553 -11.304 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.745 -11.492 -12.032 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.802 -9.580 -11.766 1.00 0.00 N ATOM 0 H ASN A 24 0.680 -10.249 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 24 2.500 -9.518 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.549 -10.320 -9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.289 -11.499 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.135 -9.606 -12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.054 -8.799 -11.161 1.00 0.00 H new ATOM 401 N ALA A 25 2.041 -7.077 -9.913 1.00 0.00 N ATOM 402 CA ALA A 25 2.272 -5.628 -9.906 1.00 0.00 C ATOM 403 C ALA A 25 2.531 -5.090 -8.481 1.00 0.00 C ATOM 404 O ALA A 25 2.152 -5.713 -7.486 1.00 0.00 O ATOM 405 CB ALA A 25 1.073 -4.930 -10.563 1.00 0.00 C ATOM 0 H ALA A 25 1.078 -7.334 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 25 3.174 -5.412 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.235 -3.852 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.965 -5.281 -11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.166 -5.161 -10.004 1.00 0.00 H new ATOM 411 N SER A 26 3.147 -3.910 -8.369 1.00 0.00 N ATOM 412 CA SER A 26 3.363 -3.216 -7.087 1.00 0.00 C ATOM 413 C SER A 26 3.435 -1.693 -7.237 1.00 0.00 C ATOM 414 O SER A 26 3.838 -1.177 -8.285 1.00 0.00 O ATOM 415 CB SER A 26 4.607 -3.750 -6.361 1.00 0.00 C ATOM 416 OG SER A 26 5.784 -3.589 -7.136 1.00 0.00 O ATOM 0 H SER A 26 3.515 -3.400 -9.172 1.00 0.00 H new ATOM 0 HA SER A 26 2.487 -3.433 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.724 -3.229 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.467 -4.806 -6.130 1.00 0.00 H new ATOM 0 HG SER A 26 6.553 -3.939 -6.639 1.00 0.00 H new ATOM 422 N GLN A 27 3.018 -0.968 -6.194 1.00 0.00 N ATOM 423 CA GLN A 27 2.970 0.501 -6.161 1.00 0.00 C ATOM 424 C GLN A 27 3.048 1.043 -4.722 1.00 0.00 C ATOM 425 O GLN A 27 2.614 0.384 -3.778 1.00 0.00 O ATOM 426 CB GLN A 27 1.698 0.986 -6.886 1.00 0.00 C ATOM 427 CG GLN A 27 0.377 0.680 -6.161 1.00 0.00 C ATOM 428 CD GLN A 27 -0.836 1.159 -6.961 1.00 0.00 C ATOM 429 OE1 GLN A 27 -0.993 0.892 -8.147 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.743 1.889 -6.350 1.00 0.00 N ATOM 0 H GLN A 27 2.696 -1.396 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 27 3.844 0.893 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.772 2.063 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.666 0.529 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.298 -0.393 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.380 1.161 -5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.630 2.122 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.559 2.222 -6.863 1.00 0.00 H new ATOM 439 N PHE A 28 3.577 2.257 -4.544 1.00 0.00 N ATOM 440 CA PHE A 28 3.599 2.953 -3.248 1.00 0.00 C ATOM 441 C PHE A 28 2.277 3.573 -2.765 1.00 0.00 C ATOM 442 O PHE A 28 1.929 3.484 -1.586 1.00 0.00 O ATOM 443 CB PHE A 28 4.812 3.895 -3.168 1.00 0.00 C ATOM 444 CG PHE A 28 4.728 4.960 -2.087 1.00 0.00 C ATOM 445 CD1 PHE A 28 4.163 6.217 -2.378 1.00 0.00 C ATOM 446 CD2 PHE A 28 5.188 4.685 -0.785 1.00 0.00 C ATOM 447 CE1 PHE A 28 4.055 7.194 -1.373 1.00 0.00 C ATOM 448 CE2 PHE A 28 5.085 5.665 0.220 1.00 0.00 C ATOM 449 CZ PHE A 28 4.517 6.919 -0.073 1.00 0.00 C ATOM 0 H PHE A 28 4.006 2.791 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 28 3.723 2.167 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.707 3.297 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.935 4.387 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.812 6.431 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.620 3.722 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.618 8.155 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.442 5.454 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.436 7.669 0.699 1.00 0.00 H new ATOM 459 N GLU A 29 1.527 4.189 -3.682 1.00 0.00 N ATOM 460 CA GLU A 29 0.248 4.850 -3.387 1.00 0.00 C ATOM 461 C GLU A 29 -0.876 3.838 -3.090 1.00 0.00 C ATOM 462 O GLU A 29 -1.010 2.820 -3.772 1.00 0.00 O ATOM 463 CB GLU A 29 -0.101 5.803 -4.544 1.00 0.00 C ATOM 464 CG GLU A 29 -1.426 6.556 -4.337 1.00 0.00 C ATOM 465 CD GLU A 29 -1.712 7.630 -5.413 1.00 0.00 C ATOM 466 OE1 GLU A 29 -0.880 7.865 -6.324 1.00 0.00 O ATOM 467 OE2 GLU A 29 -2.795 8.262 -5.348 1.00 0.00 O ATOM 0 H GLU A 29 1.793 4.245 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 29 0.351 5.436 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.705 6.527 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.157 5.232 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.244 5.836 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.412 7.033 -3.357 1.00 0.00 H new ATOM 474 N ARG A 30 -1.711 4.133 -2.085 1.00 0.00 N ATOM 475 CA ARG A 30 -2.814 3.277 -1.612 1.00 0.00 C ATOM 476 C ARG A 30 -3.859 2.991 -2.718 1.00 0.00 C ATOM 477 O ARG A 30 -4.519 3.933 -3.168 1.00 0.00 O ATOM 478 CB ARG A 30 -3.376 3.931 -0.331 1.00 0.00 C ATOM 479 CG ARG A 30 -4.733 3.453 0.204 1.00 0.00 C ATOM 480 CD ARG A 30 -4.905 1.939 0.377 1.00 0.00 C ATOM 481 NE ARG A 30 -6.144 1.483 -0.276 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.314 1.224 0.273 1.00 0.00 C ATOM 483 NH1 ARG A 30 -7.538 1.283 1.554 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.304 0.895 -0.497 1.00 0.00 N ATOM 0 H ARG A 30 -1.637 5.004 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.459 2.277 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.640 3.792 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.451 5.003 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.906 3.929 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.511 3.810 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.048 1.418 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.933 1.689 1.438 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.089 1.350 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.785 1.541 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.466 1.071 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.169 0.841 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.218 0.690 -0.093 1.00 0.00 H new ATOM 498 N PRO A 31 -4.020 1.728 -3.181 1.00 0.00 N ATOM 499 CA PRO A 31 -4.852 1.380 -4.339 1.00 0.00 C ATOM 500 C PRO A 31 -6.359 1.534 -4.096 1.00 0.00 C ATOM 501 O PRO A 31 -6.868 1.212 -3.019 1.00 0.00 O ATOM 502 CB PRO A 31 -4.498 -0.075 -4.687 1.00 0.00 C ATOM 503 CG PRO A 31 -3.999 -0.650 -3.364 1.00 0.00 C ATOM 504 CD PRO A 31 -3.283 0.545 -2.753 1.00 0.00 C ATOM 0 HA PRO A 31 -4.642 2.070 -5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.365 -0.620 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.732 -0.127 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.818 -1.000 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.328 -1.496 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.263 0.472 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.247 0.590 -3.088 1.00 0.00 H new