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= 0.563 K(o=1.7,f=-6.1!) USER MOD Set 1.2: A 15 THR OG1 : rot 88:sc= 1.16 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 167:sc=-0.00311 (180deg=-0.186) 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= -0.378 K(o=-0.38,f=-6.7!) 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= 0.00351 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.988 K(o=0.99,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.999 -2.420 3.004 1.00 0.00 N ATOM 2 CA LYS A 1 -10.972 -1.349 2.891 1.00 0.00 C ATOM 3 C LYS A 1 -10.184 -1.455 1.583 1.00 0.00 C ATOM 4 O LYS A 1 -10.355 -0.617 0.694 1.00 0.00 O ATOM 5 CB LYS A 1 -10.052 -1.293 4.134 1.00 0.00 C ATOM 6 CG LYS A 1 -9.025 -0.142 4.068 1.00 0.00 C ATOM 7 CD LYS A 1 -8.037 -0.153 5.243 1.00 0.00 C ATOM 8 CE LYS A 1 -7.027 -1.306 5.128 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.085 -1.309 6.275 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.512 -2.315 3.903 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.669 -2.344 2.212 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.535 -3.350 2.977 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.502 -0.397 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.664 -1.177 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.523 -2.241 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.470 -0.211 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.555 0.810 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.503 0.796 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.587 -0.243 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.559 -2.257 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.469 -1.213 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.415 -2.097 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.562 -0.410 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.617 -1.421 7.161 1.00 0.00 H new ATOM 25 N LEU A 2 -9.287 -2.443 1.465 1.00 0.00 N ATOM 26 CA LEU A 2 -8.397 -2.635 0.314 1.00 0.00 C ATOM 27 C LEU A 2 -9.121 -3.351 -0.855 1.00 0.00 C ATOM 28 O LEU A 2 -9.958 -4.221 -0.584 1.00 0.00 O ATOM 29 CB LEU A 2 -7.158 -3.401 0.819 1.00 0.00 C ATOM 30 CG LEU A 2 -5.916 -3.340 -0.079 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.328 -1.929 -0.119 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.827 -4.256 0.476 1.00 0.00 C ATOM 0 H LEU A 2 -9.157 -3.150 2.188 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.085 -1.676 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.891 -3.012 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.433 -4.447 0.954 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.227 -3.647 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.449 -1.919 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.073 -1.236 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.043 -1.625 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.948 -4.207 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.559 -3.934 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.196 -5.281 0.509 1.00 0.00 H new ATOM 44 N PRO A 3 -8.844 -3.026 -2.136 1.00 0.00 N ATOM 45 CA PRO A 3 -9.530 -3.645 -3.277 1.00 0.00 C ATOM 46 C PRO A 3 -9.156 -5.127 -3.485 1.00 0.00 C ATOM 47 O PRO A 3 -8.102 -5.569 -3.008 1.00 0.00 O ATOM 48 CB PRO A 3 -9.155 -2.816 -4.513 1.00 0.00 C ATOM 49 CG PRO A 3 -8.537 -1.539 -3.952 1.00 0.00 C ATOM 50 CD PRO A 3 -7.955 -1.982 -2.615 1.00 0.00 C ATOM 0 HA PRO A 3 -10.604 -3.646 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.450 -3.351 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.031 -2.597 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.767 -1.142 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.283 -0.755 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.938 -2.355 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.909 -1.151 -1.911 1.00 0.00 H new ATOM 58 N PRO A 4 -9.960 -5.899 -4.247 1.00 0.00 N ATOM 59 CA PRO A 4 -9.644 -7.281 -4.612 1.00 0.00 C ATOM 60 C PRO A 4 -8.274 -7.429 -5.294 1.00 0.00 C ATOM 61 O PRO A 4 -7.877 -6.603 -6.119 1.00 0.00 O ATOM 62 CB PRO A 4 -10.782 -7.743 -5.530 1.00 0.00 C ATOM 63 CG PRO A 4 -11.954 -6.859 -5.108 1.00 0.00 C ATOM 64 CD PRO A 4 -11.269 -5.535 -4.773 1.00 0.00 C ATOM 0 HA PRO A 4 -9.568 -7.898 -3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.532 -7.604 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.006 -8.801 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.685 -6.746 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.483 -7.270 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.176 -4.906 -5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.844 -4.970 -4.039 1.00 0.00 H new ATOM 72 N GLY A 5 -7.547 -8.495 -4.949 1.00 0.00 N ATOM 73 CA GLY A 5 -6.225 -8.828 -5.496 1.00 0.00 C ATOM 74 C GLY A 5 -5.038 -8.018 -4.949 1.00 0.00 C ATOM 75 O GLY A 5 -3.899 -8.461 -5.099 1.00 0.00 O ATOM 0 H GLY A 5 -7.871 -9.173 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.033 -9.885 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.259 -8.697 -6.578 1.00 0.00 H new ATOM 79 N TRP A 6 -5.263 -6.882 -4.281 1.00 0.00 N ATOM 80 CA TRP A 6 -4.214 -6.130 -3.578 1.00 0.00 C ATOM 81 C TRP A 6 -3.935 -6.643 -2.158 1.00 0.00 C ATOM 82 O TRP A 6 -4.838 -7.095 -1.449 1.00 0.00 O ATOM 83 CB TRP A 6 -4.515 -4.626 -3.569 1.00 0.00 C ATOM 84 CG TRP A 6 -4.413 -3.934 -4.894 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.426 -3.824 -5.777 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.217 -3.494 -5.616 1.00 0.00 C ATOM 87 NE1 TRP A 6 -4.977 -3.235 -6.942 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.613 -3.041 -6.912 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.839 -3.418 -5.306 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.697 -2.545 -7.850 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.908 -2.915 -6.242 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.335 -2.482 -7.511 1.00 0.00 C ATOM 0 H TRP A 6 -6.186 -6.453 -4.211 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.299 -6.299 -4.146 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.522 -4.478 -3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.830 -4.141 -2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.440 -4.149 -5.599 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.578 -2.977 -7.725 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.493 -3.750 -4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.034 -2.215 -8.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.139 -2.862 -5.982 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.617 -2.102 -8.223 1.00 0.00 H new ATOM 103 N GLU A 7 -2.683 -6.515 -1.726 1.00 0.00 N ATOM 104 CA GLU A 7 -2.182 -6.770 -0.374 1.00 0.00 C ATOM 105 C GLU A 7 -1.142 -5.706 0.021 1.00 0.00 C ATOM 106 O GLU A 7 -0.408 -5.194 -0.833 1.00 0.00 O ATOM 107 CB GLU A 7 -1.563 -8.182 -0.293 1.00 0.00 C ATOM 108 CG GLU A 7 -2.574 -9.342 -0.332 1.00 0.00 C ATOM 109 CD GLU A 7 -3.529 -9.405 0.883 1.00 0.00 C ATOM 110 OE1 GLU A 7 -4.473 -10.232 0.856 1.00 0.00 O ATOM 111 OE2 GLU A 7 -3.332 -8.678 1.887 1.00 0.00 O ATOM 0 H GLU A 7 -1.939 -6.209 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.017 -6.714 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.863 -8.303 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.984 -8.256 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.169 -9.257 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.026 -10.282 -0.396 1.00 0.00 H new ATOM 118 N LYS A 8 -1.046 -5.372 1.314 1.00 0.00 N ATOM 119 CA LYS A 8 0.040 -4.521 1.835 1.00 0.00 C ATOM 120 C LYS A 8 1.376 -5.263 1.884 1.00 0.00 C ATOM 121 O LYS A 8 1.425 -6.474 2.128 1.00 0.00 O ATOM 122 CB LYS A 8 -0.327 -3.882 3.184 1.00 0.00 C ATOM 123 CG LYS A 8 -1.247 -2.684 2.920 1.00 0.00 C ATOM 124 CD LYS A 8 -1.721 -1.956 4.182 1.00 0.00 C ATOM 125 CE LYS A 8 -0.581 -1.129 4.793 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.030 -0.385 5.998 1.00 0.00 N ATOM 0 H LYS A 8 -1.710 -5.679 2.025 1.00 0.00 H new ATOM 0 HA LYS A 8 0.169 -3.701 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.826 -4.609 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.573 -3.560 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.723 -1.973 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.120 -3.028 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.560 -1.304 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.083 -2.681 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.245 -1.788 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.202 -0.426 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.235 0.162 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.802 0.262 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.368 -1.058 6.715 1.00 0.00 H new ATOM 140 N ARG A 9 2.463 -4.536 1.628 1.00 0.00 N ATOM 141 CA ARG A 9 3.837 -5.045 1.461 1.00 0.00 C ATOM 142 C ARG A 9 4.851 -4.057 2.056 1.00 0.00 C ATOM 143 O ARG A 9 4.507 -2.910 2.348 1.00 0.00 O ATOM 144 CB ARG A 9 4.065 -5.296 -0.049 1.00 0.00 C ATOM 145 CG ARG A 9 4.953 -6.510 -0.387 1.00 0.00 C ATOM 146 CD ARG A 9 4.230 -7.870 -0.412 1.00 0.00 C ATOM 147 NE ARG A 9 3.397 -8.110 0.781 1.00 0.00 N ATOM 148 CZ ARG A 9 3.393 -9.142 1.602 1.00 0.00 C ATOM 149 NH1 ARG A 9 4.194 -10.162 1.471 1.00 0.00 N ATOM 150 NH2 ARG A 9 2.555 -9.146 2.596 1.00 0.00 N ATOM 0 H ARG A 9 2.414 -3.522 1.525 1.00 0.00 H new ATOM 0 HA ARG A 9 3.978 -5.982 2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.096 -5.431 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.515 -4.404 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.412 -6.343 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.762 -6.561 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.602 -7.924 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.970 -8.666 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 9 2.728 -7.372 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.866 -10.187 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.149 -10.935 2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.917 -8.361 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.535 -9.934 3.243 1.00 0.00 H new ATOM 164 N MET A 10 6.102 -4.484 2.244 1.00 0.00 N ATOM 165 CA MET A 10 7.120 -3.716 2.980 1.00 0.00 C ATOM 166 C MET A 10 8.556 -4.054 2.565 1.00 0.00 C ATOM 167 O MET A 10 8.909 -5.216 2.348 1.00 0.00 O ATOM 168 CB MET A 10 7.015 -3.945 4.502 1.00 0.00 C ATOM 169 CG MET A 10 5.763 -3.344 5.150 1.00 0.00 C ATOM 170 SD MET A 10 5.733 -3.390 6.966 1.00 0.00 S ATOM 171 CE MET A 10 7.040 -2.192 7.361 1.00 0.00 C ATOM 0 H MET A 10 6.443 -5.377 1.889 1.00 0.00 H new ATOM 0 HA MET A 10 6.913 -2.676 2.728 1.00 0.00 H new ATOM 0 HB2 MET A 10 7.031 -5.017 4.697 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.897 -3.521 4.982 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.669 -2.307 4.827 1.00 0.00 H new ATOM 0 HG3 MET A 10 4.889 -3.875 4.775 1.00 0.00 H new ATOM 0 HE1 MET A 10 6.990 -1.935 8.419 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.014 -2.629 7.140 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.902 -1.292 6.762 1.00 0.00 H new ATOM 181 N PHE A 11 9.386 -3.013 2.483 1.00 0.00 N ATOM 182 CA PHE A 11 10.838 -3.091 2.313 1.00 0.00 C ATOM 183 C PHE A 11 11.621 -3.498 3.571 1.00 0.00 C ATOM 184 O PHE A 11 11.153 -3.282 4.693 1.00 0.00 O ATOM 185 CB PHE A 11 11.368 -1.785 1.701 1.00 0.00 C ATOM 186 CG PHE A 11 10.995 -1.579 0.246 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.690 -2.265 -0.769 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.954 -0.695 -0.099 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.346 -2.069 -2.119 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.616 -0.492 -1.448 1.00 0.00 C ATOM 191 CZ PHE A 11 10.310 -1.181 -2.459 1.00 0.00 C ATOM 0 H PHE A 11 9.050 -2.051 2.535 1.00 0.00 H new ATOM 0 HA PHE A 11 11.015 -3.914 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.989 -0.945 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.454 -1.770 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.489 -2.944 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.414 -0.171 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.878 -2.601 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.823 0.193 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.047 -1.028 -3.495 1.00 0.00 H new ATOM 201 N ALA A 12 12.842 -4.015 3.404 1.00 0.00 N ATOM 202 CA ALA A 12 13.728 -4.390 4.515 1.00 0.00 C ATOM 203 C ALA A 12 14.123 -3.203 5.427 1.00 0.00 C ATOM 204 O ALA A 12 14.462 -3.405 6.595 1.00 0.00 O ATOM 205 CB ALA A 12 14.969 -5.067 3.917 1.00 0.00 C ATOM 0 H ALA A 12 13.249 -4.188 2.485 1.00 0.00 H new ATOM 0 HA ALA A 12 13.186 -5.073 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.647 -5.357 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.667 -5.953 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.476 -4.372 3.248 1.00 0.00 H new ATOM 211 N ASN A 13 14.050 -1.966 4.915 1.00 0.00 N ATOM 212 CA ASN A 13 14.290 -0.728 5.671 1.00 0.00 C ATOM 213 C ASN A 13 13.074 -0.231 6.495 1.00 0.00 C ATOM 214 O ASN A 13 13.184 0.779 7.197 1.00 0.00 O ATOM 215 CB ASN A 13 14.838 0.347 4.708 1.00 0.00 C ATOM 216 CG ASN A 13 13.857 0.831 3.646 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.642 0.757 3.821 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.381 1.384 2.559 1.00 0.00 N ATOM 0 H ASN A 13 13.816 -1.794 3.937 1.00 0.00 H new ATOM 0 HA ASN A 13 15.036 -0.948 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.165 1.205 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.721 -0.052 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.771 1.765 1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.394 1.428 2.447 1.00 0.00 H new ATOM 224 N GLY A 14 11.921 -0.912 6.420 1.00 0.00 N ATOM 225 CA GLY A 14 10.690 -0.556 7.144 1.00 0.00 C ATOM 226 C GLY A 14 9.716 0.370 6.394 1.00 0.00 C ATOM 227 O GLY A 14 8.835 0.958 7.026 1.00 0.00 O ATOM 0 H GLY A 14 11.815 -1.745 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.163 -1.475 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.969 -0.076 8.082 1.00 0.00 H new ATOM 231 N THR A 15 9.831 0.497 5.067 1.00 0.00 N ATOM 232 CA THR A 15 8.967 1.354 4.228 1.00 0.00 C ATOM 233 C THR A 15 7.813 0.533 3.649 1.00 0.00 C ATOM 234 O THR A 15 8.030 -0.559 3.126 1.00 0.00 O ATOM 235 CB THR A 15 9.789 1.959 3.076 1.00 0.00 C ATOM 236 OG1 THR A 15 10.809 2.776 3.602 1.00 0.00 O ATOM 237 CG2 THR A 15 8.976 2.802 2.098 1.00 0.00 C ATOM 0 H THR A 15 10.540 -0.001 4.530 1.00 0.00 H new ATOM 0 HA THR A 15 8.563 2.155 4.847 1.00 0.00 H new ATOM 0 HB THR A 15 10.184 1.107 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.603 2.231 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.632 3.189 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.199 2.186 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.515 3.634 2.631 1.00 0.00 H new ATOM 245 N VAL A 16 6.587 1.065 3.708 1.00 0.00 N ATOM 246 CA VAL A 16 5.344 0.389 3.301 1.00 0.00 C ATOM 247 C VAL A 16 4.960 0.729 1.855 1.00 0.00 C ATOM 248 O VAL A 16 5.105 1.875 1.420 1.00 0.00 O ATOM 249 CB VAL A 16 4.193 0.759 4.264 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.907 -0.016 3.961 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.539 0.509 5.740 1.00 0.00 C ATOM 0 H VAL A 16 6.424 2.011 4.052 1.00 0.00 H new ATOM 0 HA VAL A 16 5.520 -0.686 3.351 1.00 0.00 H new ATOM 0 HB VAL A 16 4.040 1.826 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.129 0.280 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.580 0.205 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.095 -1.085 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.691 0.788 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.766 -0.547 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.406 1.108 6.017 1.00 0.00 H new ATOM 261 N TYR A 17 4.444 -0.258 1.121 1.00 0.00 N ATOM 262 CA TYR A 17 3.902 -0.111 -0.235 1.00 0.00 C ATOM 263 C TYR A 17 2.813 -1.182 -0.475 1.00 0.00 C ATOM 264 O TYR A 17 2.408 -1.907 0.439 1.00 0.00 O ATOM 265 CB TYR A 17 5.056 -0.206 -1.255 1.00 0.00 C ATOM 266 CG TYR A 17 5.739 -1.556 -1.404 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.760 -1.940 -0.513 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.410 -2.391 -2.492 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.466 -3.140 -0.723 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.100 -3.602 -2.694 1.00 0.00 C ATOM 271 CZ TYR A 17 7.139 -3.973 -1.815 1.00 0.00 C ATOM 272 OH TYR A 17 7.825 -5.129 -2.025 1.00 0.00 O ATOM 0 H TYR A 17 4.389 -1.217 1.465 1.00 0.00 H new ATOM 0 HA TYR A 17 3.431 0.864 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.670 0.087 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.813 0.528 -0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.002 -1.313 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.625 -2.100 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.259 -3.424 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.834 -4.245 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 17 7.470 -5.581 -2.819 1.00 0.00 H new ATOM 282 N TYR A 18 2.305 -1.259 -1.704 1.00 0.00 N ATOM 283 CA TYR A 18 1.206 -2.125 -2.130 1.00 0.00 C ATOM 284 C TYR A 18 1.587 -3.116 -3.230 1.00 0.00 C ATOM 285 O TYR A 18 2.338 -2.775 -4.147 1.00 0.00 O ATOM 286 CB TYR A 18 -0.016 -1.279 -2.508 1.00 0.00 C ATOM 287 CG TYR A 18 -0.594 -0.546 -1.320 1.00 0.00 C ATOM 288 CD1 TYR A 18 -0.079 0.715 -0.960 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.600 -1.143 -0.542 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.534 1.364 0.200 1.00 0.00 C ATOM 291 CE2 TYR A 18 -2.096 -0.474 0.590 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.552 0.770 0.979 1.00 0.00 C ATOM 293 OH TYR A 18 -2.006 1.383 2.105 1.00 0.00 O ATOM 0 H TYR A 18 2.667 -0.690 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 18 0.948 -2.752 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.267 -0.558 -3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.781 -1.923 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.670 1.186 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.991 -2.113 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.108 2.312 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.897 -0.913 1.165 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.707 0.835 2.516 1.00 0.00 H new ATOM 303 N PHE A 19 1.057 -4.334 -3.154 1.00 0.00 N ATOM 304 CA PHE A 19 1.377 -5.446 -4.045 1.00 0.00 C ATOM 305 C PHE A 19 0.162 -6.248 -4.513 1.00 0.00 C ATOM 306 O PHE A 19 -0.659 -6.663 -3.696 1.00 0.00 O ATOM 307 CB PHE A 19 2.473 -6.308 -3.406 1.00 0.00 C ATOM 308 CG PHE A 19 2.754 -7.631 -4.090 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.599 -7.660 -5.213 1.00 0.00 C ATOM 310 CD2 PHE A 19 2.215 -8.833 -3.589 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.897 -8.878 -5.844 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.534 -10.055 -4.209 1.00 0.00 C ATOM 313 CZ PHE A 19 3.365 -10.079 -5.341 1.00 0.00 C ATOM 0 H PHE A 19 0.368 -4.583 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 19 1.763 -5.027 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.396 -5.729 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.195 -6.507 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.021 -6.741 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.559 -8.816 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.535 -8.893 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.138 -10.978 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.595 -11.017 -5.824 1.00 0.00 H new ATOM 323 N ASN A 20 0.026 -6.466 -5.818 1.00 0.00 N ATOM 324 CA ASN A 20 -1.057 -7.254 -6.390 1.00 0.00 C ATOM 325 C ASN A 20 -0.600 -8.717 -6.504 1.00 0.00 C ATOM 326 O ASN A 20 0.155 -9.066 -7.412 1.00 0.00 O ATOM 327 CB ASN A 20 -1.459 -6.628 -7.733 1.00 0.00 C ATOM 328 CG ASN A 20 -2.712 -7.263 -8.307 1.00 0.00 C ATOM 329 OD1 ASN A 20 -2.915 -8.466 -8.249 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.576 -6.484 -8.919 1.00 0.00 N ATOM 0 H ASN A 20 0.673 -6.096 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.944 -7.250 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.624 -5.559 -7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.640 -6.738 -8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.413 -6.885 -9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.410 -5.479 -8.969 1.00 0.00 H new ATOM 337 N HIS A 21 -1.041 -9.586 -5.589 1.00 0.00 N ATOM 338 CA HIS A 21 -0.582 -10.985 -5.553 1.00 0.00 C ATOM 339 C HIS A 21 -1.176 -11.863 -6.672 1.00 0.00 C ATOM 340 O HIS A 21 -0.692 -12.975 -6.896 1.00 0.00 O ATOM 341 CB HIS A 21 -0.777 -11.583 -4.148 1.00 0.00 C ATOM 342 CG HIS A 21 -2.109 -12.252 -3.898 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.306 -13.624 -3.709 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.323 -11.633 -3.896 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.633 -13.793 -3.571 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.267 -12.612 -3.674 1.00 0.00 N ATOM 0 H HIS A 21 -1.716 -9.349 -4.862 1.00 0.00 H new ATOM 0 HA HIS A 21 0.487 -10.974 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.014 -12.312 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.647 -10.788 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.509 -10.579 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.120 -14.742 -3.402 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.274 -12.466 -3.600 1.00 0.00 H new ATOM 354 N ILE A 22 -2.175 -11.364 -7.414 1.00 0.00 N ATOM 355 CA ILE A 22 -2.745 -12.032 -8.591 1.00 0.00 C ATOM 356 C ILE A 22 -1.856 -11.819 -9.830 1.00 0.00 C ATOM 357 O ILE A 22 -1.653 -12.744 -10.621 1.00 0.00 O ATOM 358 CB ILE A 22 -4.168 -11.488 -8.875 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.093 -11.438 -7.637 1.00 0.00 C ATOM 360 CG2 ILE A 22 -4.829 -12.278 -10.013 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.375 -12.789 -6.967 1.00 0.00 C ATOM 0 H ILE A 22 -2.617 -10.468 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.798 -13.100 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.030 -10.450 -9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.646 -10.772 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.043 -10.994 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.827 -11.882 -10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.228 -12.185 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.902 -13.329 -9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.033 -12.640 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.856 -13.457 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.437 -13.231 -6.631 1.00 0.00 H new ATOM 373 N THR A 23 -1.314 -10.606 -9.993 1.00 0.00 N ATOM 374 CA THR A 23 -0.608 -10.130 -11.203 1.00 0.00 C ATOM 375 C THR A 23 0.891 -9.846 -11.047 1.00 0.00 C ATOM 376 O THR A 23 1.585 -9.604 -12.038 1.00 0.00 O ATOM 377 CB THR A 23 -1.319 -8.911 -11.819 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.007 -7.758 -11.069 1.00 0.00 O ATOM 379 CG2 THR A 23 -2.843 -9.011 -11.868 1.00 0.00 C ATOM 0 H THR A 23 -1.353 -9.897 -9.261 1.00 0.00 H new ATOM 0 HA THR A 23 -0.658 -10.983 -11.880 1.00 0.00 H new ATOM 0 HB THR A 23 -0.960 -8.866 -12.847 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.458 -6.981 -11.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.253 -8.107 -12.318 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.132 -9.876 -12.465 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.233 -9.122 -10.856 1.00 0.00 H new ATOM 387 N ASN A 24 1.396 -9.877 -9.811 1.00 0.00 N ATOM 388 CA ASN A 24 2.740 -9.463 -9.385 1.00 0.00 C ATOM 389 C ASN A 24 3.073 -7.965 -9.602 1.00 0.00 C ATOM 390 O ASN A 24 4.239 -7.574 -9.485 1.00 0.00 O ATOM 391 CB ASN A 24 3.811 -10.440 -9.914 1.00 0.00 C ATOM 392 CG ASN A 24 3.556 -11.879 -9.493 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.503 -12.211 -8.316 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.434 -12.790 -10.433 1.00 0.00 N ATOM 0 H ASN A 24 0.840 -10.215 -9.026 1.00 0.00 H new ATOM 0 HA ASN A 24 2.748 -9.536 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.841 -10.385 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.791 -10.129 -9.552 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.296 -13.768 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.477 -12.518 -11.415 1.00 0.00 H new ATOM 401 N ALA A 25 2.080 -7.113 -9.893 1.00 0.00 N ATOM 402 CA ALA A 25 2.253 -5.654 -9.931 1.00 0.00 C ATOM 403 C ALA A 25 2.508 -5.052 -8.529 1.00 0.00 C ATOM 404 O ALA A 25 2.168 -5.655 -7.508 1.00 0.00 O ATOM 405 CB ALA A 25 1.022 -5.019 -10.593 1.00 0.00 C ATOM 0 H ALA A 25 1.131 -7.417 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 25 3.142 -5.430 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.144 -3.936 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.917 -5.402 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.130 -5.267 -10.017 1.00 0.00 H new ATOM 411 N SER A 26 3.070 -3.841 -8.468 1.00 0.00 N ATOM 412 CA SER A 26 3.327 -3.115 -7.210 1.00 0.00 C ATOM 413 C SER A 26 3.333 -1.590 -7.378 1.00 0.00 C ATOM 414 O SER A 26 3.707 -1.076 -8.436 1.00 0.00 O ATOM 415 CB SER A 26 4.640 -3.585 -6.561 1.00 0.00 C ATOM 416 OG SER A 26 5.757 -3.431 -7.427 1.00 0.00 O ATOM 0 H SER A 26 3.365 -3.327 -9.298 1.00 0.00 H new ATOM 0 HA SER A 26 2.493 -3.355 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.813 -3.019 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.547 -4.633 -6.275 1.00 0.00 H new ATOM 0 HG SER A 26 6.568 -3.740 -6.973 1.00 0.00 H new ATOM 422 N GLN A 27 2.945 -0.864 -6.324 1.00 0.00 N ATOM 423 CA GLN A 27 2.885 0.605 -6.288 1.00 0.00 C ATOM 424 C GLN A 27 3.009 1.142 -4.849 1.00 0.00 C ATOM 425 O GLN A 27 2.645 0.454 -3.897 1.00 0.00 O ATOM 426 CB GLN A 27 1.581 1.079 -6.961 1.00 0.00 C ATOM 427 CG GLN A 27 0.293 0.760 -6.185 1.00 0.00 C ATOM 428 CD GLN A 27 -0.951 1.265 -6.918 1.00 0.00 C ATOM 429 OE1 GLN A 27 -1.172 1.011 -8.096 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.813 2.005 -6.255 1.00 0.00 N ATOM 0 H GLN A 27 2.655 -1.293 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 27 3.733 1.007 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.639 2.157 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.514 0.623 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.215 -0.317 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.342 1.215 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.646 2.227 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.649 2.357 -6.722 1.00 0.00 H new ATOM 439 N PHE A 28 3.500 2.372 -4.667 1.00 0.00 N ATOM 440 CA PHE A 28 3.583 3.027 -3.350 1.00 0.00 C ATOM 441 C PHE A 28 2.294 3.651 -2.789 1.00 0.00 C ATOM 442 O PHE A 28 1.994 3.520 -1.600 1.00 0.00 O ATOM 443 CB PHE A 28 4.824 3.935 -3.277 1.00 0.00 C ATOM 444 CG PHE A 28 4.815 4.951 -2.148 1.00 0.00 C ATOM 445 CD1 PHE A 28 4.239 6.221 -2.345 1.00 0.00 C ATOM 446 CD2 PHE A 28 5.363 4.619 -0.892 1.00 0.00 C ATOM 447 CE1 PHE A 28 4.204 7.153 -1.293 1.00 0.00 C ATOM 448 CE2 PHE A 28 5.334 5.555 0.158 1.00 0.00 C ATOM 449 CZ PHE A 28 4.753 6.821 -0.041 1.00 0.00 C ATOM 0 H PHE A 28 3.854 2.948 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 28 3.714 2.212 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.709 3.307 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.921 4.467 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.823 6.480 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.805 3.646 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.756 8.124 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.758 5.301 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.729 7.537 0.767 1.00 0.00 H new ATOM 459 N GLU A 29 1.515 4.312 -3.648 1.00 0.00 N ATOM 460 CA GLU A 29 0.239 4.943 -3.284 1.00 0.00 C ATOM 461 C GLU A 29 -0.873 3.913 -3.010 1.00 0.00 C ATOM 462 O GLU A 29 -0.967 2.885 -3.687 1.00 0.00 O ATOM 463 CB GLU A 29 -0.138 5.962 -4.378 1.00 0.00 C ATOM 464 CG GLU A 29 -1.564 6.547 -4.365 1.00 0.00 C ATOM 465 CD GLU A 29 -1.957 7.351 -3.104 1.00 0.00 C ATOM 466 OE1 GLU A 29 -1.302 7.229 -2.040 1.00 0.00 O ATOM 467 OE2 GLU A 29 -2.951 8.114 -3.171 1.00 0.00 O ATOM 0 H GLU A 29 1.755 4.427 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 29 0.358 5.473 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.564 6.793 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.018 5.485 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.677 7.195 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.272 5.727 -4.484 1.00 0.00 H new ATOM 474 N ARG A 30 -1.742 4.194 -2.032 1.00 0.00 N ATOM 475 CA ARG A 30 -2.837 3.301 -1.618 1.00 0.00 C ATOM 476 C ARG A 30 -3.858 3.084 -2.761 1.00 0.00 C ATOM 477 O ARG A 30 -4.379 4.071 -3.287 1.00 0.00 O ATOM 478 CB ARG A 30 -3.437 3.836 -0.302 1.00 0.00 C ATOM 479 CG ARG A 30 -4.618 3.021 0.252 1.00 0.00 C ATOM 480 CD ARG A 30 -5.972 3.504 -0.286 1.00 0.00 C ATOM 481 NE ARG A 30 -6.812 2.386 -0.749 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.910 1.910 -0.195 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.645 1.083 -0.873 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.303 2.224 1.005 1.00 0.00 N ATOM 0 H ARG A 30 -1.706 5.061 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.461 2.299 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.651 3.867 0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.766 4.863 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.483 1.971 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.620 3.085 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.498 4.053 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.808 4.199 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.506 1.922 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.370 0.812 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.498 0.704 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.752 2.870 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.162 1.824 1.381 1.00 0.00 H new ATOM 498 N PRO A 31 -4.148 1.830 -3.175 1.00 0.00 N ATOM 499 CA PRO A 31 -4.937 1.528 -4.375 1.00 0.00 C ATOM 500 C PRO A 31 -6.437 1.800 -4.199 1.00 0.00 C ATOM 501 O PRO A 31 -7.078 1.244 -3.304 1.00 0.00 O ATOM 502 CB PRO A 31 -4.659 0.050 -4.682 1.00 0.00 C ATOM 503 CG PRO A 31 -4.288 -0.548 -3.328 1.00 0.00 C ATOM 504 CD PRO A 31 -3.571 0.606 -2.643 1.00 0.00 C ATOM 0 HA PRO A 31 -4.646 2.180 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.534 -0.440 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.849 -0.062 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.169 -0.867 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.644 -1.421 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.700 0.555 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.499 0.566 -2.838 1.00 0.00 H new