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= 0.503 K(o=1.4,f=-8.1!) USER MOD Set 1.2: A 15 THR OG1 : rot 85:sc= 0.877 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 176:sc= 0 (180deg=-0.0122) 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= 0.07 K(o=0.07,f=-5.4!) 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= 0.00342 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0527 X(o=0.053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.929 -2.349 2.842 1.00 0.00 N ATOM 2 CA LYS A 1 -10.742 -1.455 2.918 1.00 0.00 C ATOM 3 C LYS A 1 -9.920 -1.497 1.626 1.00 0.00 C ATOM 4 O LYS A 1 -9.951 -0.539 0.850 1.00 0.00 O ATOM 5 CB LYS A 1 -9.885 -1.738 4.177 1.00 0.00 C ATOM 6 CG LYS A 1 -8.690 -0.771 4.322 1.00 0.00 C ATOM 7 CD LYS A 1 -7.731 -1.169 5.455 1.00 0.00 C ATOM 8 CE LYS A 1 -6.881 -2.391 5.073 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.968 -2.779 6.180 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.462 -2.295 3.734 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.539 -2.049 2.055 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.616 -3.328 2.684 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.110 -0.434 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.515 -1.664 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.514 -2.762 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.140 -0.739 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.064 0.236 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.077 -0.329 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.303 -1.390 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.534 -3.228 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.298 -2.167 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.407 -3.607 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.330 -1.987 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.527 -3.015 7.024 1.00 0.00 H new ATOM 25 N LEU A 2 -9.150 -2.569 1.406 1.00 0.00 N ATOM 26 CA LEU A 2 -8.223 -2.742 0.279 1.00 0.00 C ATOM 27 C LEU A 2 -8.922 -3.409 -0.934 1.00 0.00 C ATOM 28 O LEU A 2 -9.800 -4.252 -0.712 1.00 0.00 O ATOM 29 CB LEU A 2 -7.021 -3.545 0.818 1.00 0.00 C ATOM 30 CG LEU A 2 -5.751 -3.557 -0.046 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.095 -2.176 -0.104 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.731 -4.508 0.575 1.00 0.00 C ATOM 0 H LEU A 2 -9.155 -3.373 2.033 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.875 -1.783 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.760 -3.148 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.341 -4.577 0.966 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.042 -3.867 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.200 -2.224 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.795 -1.458 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.822 -1.860 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.827 -4.521 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.485 -4.171 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.151 -5.513 0.621 1.00 0.00 H new ATOM 44 N PRO A 3 -8.586 -3.073 -2.199 1.00 0.00 N ATOM 45 CA PRO A 3 -9.263 -3.632 -3.375 1.00 0.00 C ATOM 46 C PRO A 3 -8.939 -5.123 -3.618 1.00 0.00 C ATOM 47 O PRO A 3 -7.946 -5.633 -3.082 1.00 0.00 O ATOM 48 CB PRO A 3 -8.840 -2.772 -4.574 1.00 0.00 C ATOM 49 CG PRO A 3 -8.144 -1.560 -3.964 1.00 0.00 C ATOM 50 CD PRO A 3 -7.630 -2.065 -2.624 1.00 0.00 C ATOM 0 HA PRO A 3 -10.341 -3.605 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.170 -3.320 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.703 -2.473 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.329 -1.208 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.834 -0.725 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.630 -2.488 -2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.564 -1.255 -1.898 1.00 0.00 H new ATOM 58 N PRO A 4 -9.721 -5.832 -4.460 1.00 0.00 N ATOM 59 CA PRO A 4 -9.471 -7.233 -4.812 1.00 0.00 C ATOM 60 C PRO A 4 -8.063 -7.480 -5.379 1.00 0.00 C ATOM 61 O PRO A 4 -7.542 -6.686 -6.166 1.00 0.00 O ATOM 62 CB PRO A 4 -10.559 -7.611 -5.825 1.00 0.00 C ATOM 63 CG PRO A 4 -11.699 -6.655 -5.484 1.00 0.00 C ATOM 64 CD PRO A 4 -10.960 -5.381 -5.080 1.00 0.00 C ATOM 0 HA PRO A 4 -9.511 -7.855 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.217 -7.480 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.862 -8.653 -5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.356 -6.488 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.319 -7.037 -4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.759 -4.752 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.553 -4.786 -4.385 1.00 0.00 H new ATOM 72 N GLY A 5 -7.441 -8.593 -4.977 1.00 0.00 N ATOM 73 CA GLY A 5 -6.099 -9.010 -5.401 1.00 0.00 C ATOM 74 C GLY A 5 -4.918 -8.263 -4.764 1.00 0.00 C ATOM 75 O GLY A 5 -3.805 -8.791 -4.771 1.00 0.00 O ATOM 0 H GLY A 5 -7.871 -9.250 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.987 -10.073 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.032 -8.896 -6.483 1.00 0.00 H new ATOM 79 N TRP A 6 -5.123 -7.076 -4.185 1.00 0.00 N ATOM 80 CA TRP A 6 -4.080 -6.316 -3.485 1.00 0.00 C ATOM 81 C TRP A 6 -3.763 -6.828 -2.069 1.00 0.00 C ATOM 82 O TRP A 6 -4.625 -7.368 -1.372 1.00 0.00 O ATOM 83 CB TRP A 6 -4.410 -4.819 -3.480 1.00 0.00 C ATOM 84 CG TRP A 6 -4.289 -4.121 -4.800 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.277 -4.017 -5.713 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.085 -3.651 -5.483 1.00 0.00 C ATOM 87 NE1 TRP A 6 -4.812 -3.374 -6.842 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.454 -3.151 -6.769 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.718 -3.575 -5.135 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.520 -2.596 -7.658 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.771 -3.022 -6.020 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.168 -2.534 -7.278 1.00 0.00 C ATOM 0 H TRP A 6 -6.030 -6.609 -4.189 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.164 -6.477 -4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.429 -4.692 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.752 -4.323 -2.766 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.284 -4.383 -5.580 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.398 -3.099 -7.630 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.393 -3.947 -4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.836 -2.222 -8.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.268 -2.972 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.436 -2.113 -7.951 1.00 0.00 H new ATOM 103 N GLU A 7 -2.522 -6.616 -1.633 1.00 0.00 N ATOM 104 CA GLU A 7 -1.984 -6.965 -0.316 1.00 0.00 C ATOM 105 C GLU A 7 -0.919 -5.940 0.120 1.00 0.00 C ATOM 106 O GLU A 7 -0.117 -5.481 -0.702 1.00 0.00 O ATOM 107 CB GLU A 7 -1.428 -8.405 -0.384 1.00 0.00 C ATOM 108 CG GLU A 7 -0.579 -8.913 0.796 1.00 0.00 C ATOM 109 CD GLU A 7 -1.261 -8.923 2.183 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.732 -9.601 3.097 1.00 0.00 O ATOM 111 OE2 GLU A 7 -2.311 -8.268 2.387 1.00 0.00 O ATOM 0 H GLU A 7 -1.822 -6.169 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.768 -6.932 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.273 -9.083 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.825 -8.487 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.252 -9.928 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.318 -8.297 0.861 1.00 0.00 H new ATOM 118 N LYS A 8 -0.894 -5.567 1.407 1.00 0.00 N ATOM 119 CA LYS A 8 0.145 -4.681 1.965 1.00 0.00 C ATOM 120 C LYS A 8 1.507 -5.371 2.077 1.00 0.00 C ATOM 121 O LYS A 8 1.598 -6.551 2.423 1.00 0.00 O ATOM 122 CB LYS A 8 -0.286 -4.065 3.306 1.00 0.00 C ATOM 123 CG LYS A 8 -1.199 -2.863 3.038 1.00 0.00 C ATOM 124 CD LYS A 8 -1.673 -2.140 4.305 1.00 0.00 C ATOM 125 CE LYS A 8 -0.526 -1.343 4.942 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.979 -0.599 6.146 1.00 0.00 N ATOM 0 H LYS A 8 -1.589 -5.868 2.090 1.00 0.00 H new ATOM 0 HA LYS A 8 0.264 -3.864 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.809 -4.807 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.590 -3.752 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.669 -2.152 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.071 -3.201 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.495 -1.468 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.058 -2.866 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.281 -2.022 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.120 -0.643 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.179 -0.072 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.732 0.067 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.344 -1.270 6.852 1.00 0.00 H new ATOM 140 N ARG A 9 2.565 -4.607 1.806 1.00 0.00 N ATOM 141 CA ARG A 9 3.974 -5.030 1.694 1.00 0.00 C ATOM 142 C ARG A 9 4.906 -4.020 2.379 1.00 0.00 C ATOM 143 O ARG A 9 4.514 -2.880 2.631 1.00 0.00 O ATOM 144 CB ARG A 9 4.322 -5.186 0.194 1.00 0.00 C ATOM 145 CG ARG A 9 4.564 -6.625 -0.285 1.00 0.00 C ATOM 146 CD ARG A 9 3.372 -7.558 -0.038 1.00 0.00 C ATOM 147 NE ARG A 9 3.512 -8.817 -0.798 1.00 0.00 N ATOM 148 CZ ARG A 9 3.188 -10.034 -0.402 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.676 -10.278 0.772 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.373 -11.049 -1.196 1.00 0.00 N ATOM 0 H ARG A 9 2.460 -3.605 1.647 1.00 0.00 H new ATOM 0 HA ARG A 9 4.114 -5.985 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.511 -4.758 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.215 -4.597 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.791 -6.612 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.441 -7.026 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.295 -7.779 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.448 -7.057 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 9 3.904 -8.737 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.511 -9.512 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.440 -11.234 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.769 -10.904 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.122 -11.989 -0.889 1.00 0.00 H new ATOM 164 N MET A 10 6.147 -4.416 2.670 1.00 0.00 N ATOM 165 CA MET A 10 7.129 -3.545 3.330 1.00 0.00 C ATOM 166 C MET A 10 8.579 -3.950 3.016 1.00 0.00 C ATOM 167 O MET A 10 8.928 -5.133 3.029 1.00 0.00 O ATOM 168 CB MET A 10 6.877 -3.541 4.851 1.00 0.00 C ATOM 169 CG MET A 10 7.644 -2.427 5.575 1.00 0.00 C ATOM 170 SD MET A 10 7.457 -2.414 7.379 1.00 0.00 S ATOM 171 CE MET A 10 8.518 -3.819 7.819 1.00 0.00 C ATOM 0 H MET A 10 6.502 -5.348 2.456 1.00 0.00 H new ATOM 0 HA MET A 10 6.998 -2.537 2.937 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.810 -3.422 5.038 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.168 -4.506 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.703 -2.521 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.313 -1.465 5.184 1.00 0.00 H new ATOM 0 HE1 MET A 10 8.573 -3.908 8.904 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.101 -4.735 7.401 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.519 -3.659 7.417 1.00 0.00 H new ATOM 181 N PHE A 11 9.426 -2.953 2.755 1.00 0.00 N ATOM 182 CA PHE A 11 10.879 -3.078 2.633 1.00 0.00 C ATOM 183 C PHE A 11 11.635 -3.390 3.935 1.00 0.00 C ATOM 184 O PHE A 11 11.163 -3.062 5.026 1.00 0.00 O ATOM 185 CB PHE A 11 11.457 -1.845 1.916 1.00 0.00 C ATOM 186 CG PHE A 11 11.178 -1.782 0.427 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.946 -2.549 -0.471 1.00 0.00 C ATOM 188 CD2 PHE A 11 10.161 -0.943 -0.067 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.696 -2.477 -1.853 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.915 -0.868 -1.450 1.00 0.00 C ATOM 191 CZ PHE A 11 10.681 -1.637 -2.343 1.00 0.00 C ATOM 0 H PHE A 11 9.104 -1.995 2.617 1.00 0.00 H new ATOM 0 HA PHE A 11 11.043 -3.970 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.053 -0.948 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.536 -1.826 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.728 -3.193 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.568 -0.355 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.285 -3.068 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.137 -0.219 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.490 -1.583 -3.405 1.00 0.00 H new ATOM 201 N ALA A 12 12.847 -3.948 3.836 1.00 0.00 N ATOM 202 CA ALA A 12 13.712 -4.225 4.993 1.00 0.00 C ATOM 203 C ALA A 12 14.116 -2.958 5.787 1.00 0.00 C ATOM 204 O ALA A 12 14.448 -3.047 6.972 1.00 0.00 O ATOM 205 CB ALA A 12 14.946 -4.980 4.485 1.00 0.00 C ATOM 0 H ALA A 12 13.260 -4.223 2.945 1.00 0.00 H new ATOM 0 HA ALA A 12 13.150 -4.830 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.608 -5.200 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.634 -5.912 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.474 -4.365 3.757 1.00 0.00 H new ATOM 211 N ASN A 13 14.061 -1.778 5.154 1.00 0.00 N ATOM 212 CA ASN A 13 14.303 -0.470 5.778 1.00 0.00 C ATOM 213 C ASN A 13 13.086 0.105 6.554 1.00 0.00 C ATOM 214 O ASN A 13 13.205 1.167 7.171 1.00 0.00 O ATOM 215 CB ASN A 13 14.822 0.502 4.694 1.00 0.00 C ATOM 216 CG ASN A 13 13.807 0.859 3.614 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.606 0.672 3.789 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.272 1.431 2.511 1.00 0.00 N ATOM 0 H ASN A 13 13.840 -1.705 4.161 1.00 0.00 H new ATOM 0 HA ASN A 13 15.059 -0.604 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.154 1.420 5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.697 0.059 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.626 1.729 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.275 1.573 2.394 1.00 0.00 H new ATOM 224 N GLY A 14 11.922 -0.561 6.520 1.00 0.00 N ATOM 225 CA GLY A 14 10.680 -0.118 7.173 1.00 0.00 C ATOM 226 C GLY A 14 9.739 0.748 6.315 1.00 0.00 C ATOM 227 O GLY A 14 8.852 1.403 6.865 1.00 0.00 O ATOM 0 H GLY A 14 11.815 -1.446 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.131 -1.000 7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.944 0.445 8.068 1.00 0.00 H new ATOM 231 N THR A 15 9.895 0.760 4.984 1.00 0.00 N ATOM 232 CA THR A 15 9.061 1.541 4.047 1.00 0.00 C ATOM 233 C THR A 15 7.923 0.673 3.508 1.00 0.00 C ATOM 234 O THR A 15 8.171 -0.402 2.961 1.00 0.00 O ATOM 235 CB THR A 15 9.917 2.037 2.870 1.00 0.00 C ATOM 236 OG1 THR A 15 10.950 2.870 3.349 1.00 0.00 O ATOM 237 CG2 THR A 15 9.150 2.811 1.805 1.00 0.00 C ATOM 0 H THR A 15 10.619 0.217 4.514 1.00 0.00 H new ATOM 0 HA THR A 15 8.645 2.395 4.581 1.00 0.00 H new ATOM 0 HB THR A 15 10.299 1.133 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.710 2.319 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.835 3.120 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.373 2.175 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.693 3.693 2.254 1.00 0.00 H new ATOM 245 N VAL A 16 6.677 1.135 3.626 1.00 0.00 N ATOM 246 CA VAL A 16 5.463 0.365 3.293 1.00 0.00 C ATOM 247 C VAL A 16 5.020 0.680 1.858 1.00 0.00 C ATOM 248 O VAL A 16 5.104 1.823 1.401 1.00 0.00 O ATOM 249 CB VAL A 16 4.342 0.694 4.304 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.977 0.092 3.944 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.712 0.183 5.704 1.00 0.00 C ATOM 0 H VAL A 16 6.472 2.076 3.963 1.00 0.00 H new ATOM 0 HA VAL A 16 5.680 -0.701 3.356 1.00 0.00 H new ATOM 0 HB VAL A 16 4.253 1.780 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.245 0.369 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.656 0.473 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.059 -0.994 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.911 0.424 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.853 -0.897 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.636 0.659 6.033 1.00 0.00 H new ATOM 261 N TYR A 17 4.537 -0.345 1.153 1.00 0.00 N ATOM 262 CA TYR A 17 4.004 -0.265 -0.213 1.00 0.00 C ATOM 263 C TYR A 17 2.932 -1.360 -0.407 1.00 0.00 C ATOM 264 O TYR A 17 2.513 -2.030 0.540 1.00 0.00 O ATOM 265 CB TYR A 17 5.170 -0.391 -1.219 1.00 0.00 C ATOM 266 CG TYR A 17 5.875 -1.736 -1.312 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.892 -2.068 -0.395 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.577 -2.616 -2.375 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.619 -3.267 -0.547 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.290 -3.822 -2.520 1.00 0.00 C ATOM 271 CZ TYR A 17 7.323 -4.144 -1.614 1.00 0.00 C ATOM 272 OH TYR A 17 8.019 -5.303 -1.763 1.00 0.00 O ATOM 0 H TYR A 17 4.504 -1.292 1.531 1.00 0.00 H new ATOM 0 HA TYR A 17 3.522 0.697 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.788 -0.142 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.916 0.363 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.115 -1.403 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.799 -2.363 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.403 -3.515 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.046 -4.500 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 17 7.685 -5.787 -2.547 1.00 0.00 H new ATOM 282 N TYR A 18 2.453 -1.519 -1.639 1.00 0.00 N ATOM 283 CA TYR A 18 1.351 -2.399 -2.025 1.00 0.00 C ATOM 284 C TYR A 18 1.722 -3.351 -3.165 1.00 0.00 C ATOM 285 O TYR A 18 2.469 -2.980 -4.073 1.00 0.00 O ATOM 286 CB TYR A 18 0.123 -1.553 -2.384 1.00 0.00 C ATOM 287 CG TYR A 18 -0.409 -0.741 -1.222 1.00 0.00 C ATOM 288 CD1 TYR A 18 0.077 0.560 -0.987 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.388 -1.292 -0.375 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.390 1.302 0.115 1.00 0.00 C ATOM 291 CE2 TYR A 18 -1.883 -0.538 0.703 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.369 0.749 0.969 1.00 0.00 C ATOM 293 OH TYR A 18 -1.834 1.454 2.034 1.00 0.00 O ATOM 0 H TYR A 18 2.842 -1.013 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 18 1.117 -3.034 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.382 -0.879 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.666 -2.209 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.810 0.990 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.758 -2.291 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.001 2.291 0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.661 -0.946 1.331 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.504 0.922 2.511 1.00 0.00 H new ATOM 303 N PHE A 19 1.172 -4.563 -3.140 1.00 0.00 N ATOM 304 CA PHE A 19 1.413 -5.624 -4.120 1.00 0.00 C ATOM 305 C PHE A 19 0.157 -6.389 -4.543 1.00 0.00 C ATOM 306 O PHE A 19 -0.622 -6.792 -3.681 1.00 0.00 O ATOM 307 CB PHE A 19 2.529 -6.540 -3.610 1.00 0.00 C ATOM 308 CG PHE A 19 2.721 -7.839 -4.370 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.567 -7.860 -5.494 1.00 0.00 C ATOM 310 CD2 PHE A 19 2.088 -9.027 -3.948 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.782 -9.058 -6.196 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.324 -10.229 -4.638 1.00 0.00 C ATOM 313 CZ PHE A 19 3.164 -10.245 -5.766 1.00 0.00 C ATOM 0 H PHE A 19 0.520 -4.846 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 19 1.740 -5.148 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.467 -5.985 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.327 -6.779 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.053 -6.952 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.424 -9.013 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.422 -9.067 -7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.859 -11.143 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.334 -11.168 -6.301 1.00 0.00 H new ATOM 323 N ASN A 20 -0.063 -6.601 -5.839 1.00 0.00 N ATOM 324 CA ASN A 20 -1.195 -7.379 -6.335 1.00 0.00 C ATOM 325 C ASN A 20 -0.755 -8.827 -6.601 1.00 0.00 C ATOM 326 O ASN A 20 0.043 -9.085 -7.503 1.00 0.00 O ATOM 327 CB ASN A 20 -1.790 -6.691 -7.569 1.00 0.00 C ATOM 328 CG ASN A 20 -3.131 -7.310 -7.918 1.00 0.00 C ATOM 329 OD1 ASN A 20 -3.227 -8.487 -8.230 1.00 0.00 O ATOM 330 ND2 ASN A 20 -4.202 -6.552 -7.873 1.00 0.00 N ATOM 0 H ASN A 20 0.541 -6.237 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.985 -7.425 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.912 -5.625 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.106 -6.786 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.115 -6.946 -8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.121 -5.569 -7.612 1.00 0.00 H new ATOM 337 N HIS A 21 -1.277 -9.784 -5.829 1.00 0.00 N ATOM 338 CA HIS A 21 -0.851 -11.190 -5.903 1.00 0.00 C ATOM 339 C HIS A 21 -1.467 -11.963 -7.085 1.00 0.00 C ATOM 340 O HIS A 21 -0.975 -13.038 -7.435 1.00 0.00 O ATOM 341 CB HIS A 21 -1.065 -11.868 -4.536 1.00 0.00 C ATOM 342 CG HIS A 21 -2.319 -12.701 -4.402 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.376 -14.098 -4.444 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.586 -12.217 -4.258 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.674 -14.421 -4.306 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.422 -13.311 -4.186 1.00 0.00 N ATOM 0 H HIS A 21 -2.005 -9.610 -5.136 1.00 0.00 H new ATOM 0 HA HIS A 21 0.217 -11.208 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.205 -12.505 -4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.081 -11.095 -3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.878 -11.178 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.061 -15.429 -4.293 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.434 -13.283 -4.063 1.00 0.00 H new ATOM 354 N ILE A 22 -2.494 -11.408 -7.744 1.00 0.00 N ATOM 355 CA ILE A 22 -3.110 -11.974 -8.952 1.00 0.00 C ATOM 356 C ILE A 22 -2.266 -11.649 -10.197 1.00 0.00 C ATOM 357 O ILE A 22 -2.087 -12.497 -11.074 1.00 0.00 O ATOM 358 CB ILE A 22 -4.540 -11.406 -9.139 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.422 -11.451 -7.870 1.00 0.00 C ATOM 360 CG2 ILE A 22 -5.248 -12.090 -10.317 1.00 0.00 C ATOM 361 CD1 ILE A 22 -5.742 -12.850 -7.332 1.00 0.00 C ATOM 0 H ILE A 22 -2.929 -10.535 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.161 -13.056 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.403 -10.347 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.924 -10.885 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.361 -10.941 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.250 -11.676 -10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.680 -11.920 -11.232 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.318 -13.161 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.365 -12.764 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.274 -13.420 -8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.815 -13.363 -7.077 1.00 0.00 H new ATOM 373 N THR A 23 -1.735 -10.422 -10.266 1.00 0.00 N ATOM 374 CA THR A 23 -1.075 -9.833 -11.451 1.00 0.00 C ATOM 375 C THR A 23 0.431 -9.569 -11.329 1.00 0.00 C ATOM 376 O THR A 23 1.083 -9.235 -12.321 1.00 0.00 O ATOM 377 CB THR A 23 -1.806 -8.562 -11.915 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.461 -7.489 -11.067 1.00 0.00 O ATOM 379 CG2 THR A 23 -3.332 -8.655 -11.907 1.00 0.00 C ATOM 0 H THR A 23 -1.751 -9.783 -9.471 1.00 0.00 H new ATOM 0 HA THR A 23 -1.153 -10.615 -12.206 1.00 0.00 H new ATOM 0 HB THR A 23 -1.490 -8.418 -12.948 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.924 -6.677 -11.362 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.756 -7.711 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.651 -9.458 -12.571 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.679 -8.862 -10.895 1.00 0.00 H new ATOM 387 N ASN A 24 0.991 -9.718 -10.124 1.00 0.00 N ATOM 388 CA ASN A 24 2.356 -9.346 -9.730 1.00 0.00 C ATOM 389 C ASN A 24 2.689 -7.836 -9.849 1.00 0.00 C ATOM 390 O ASN A 24 3.861 -7.456 -9.774 1.00 0.00 O ATOM 391 CB ASN A 24 3.395 -10.282 -10.384 1.00 0.00 C ATOM 392 CG ASN A 24 3.150 -11.747 -10.062 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.160 -12.170 -8.913 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.967 -12.583 -11.062 1.00 0.00 N ATOM 0 H ASN A 24 0.471 -10.127 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 24 2.414 -9.506 -8.653 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.373 -10.143 -11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.393 -10.002 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.834 -13.577 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.958 -12.236 -12.021 1.00 0.00 H new ATOM 401 N ALA A 25 1.684 -6.965 -10.018 1.00 0.00 N ATOM 402 CA ALA A 25 1.857 -5.508 -9.984 1.00 0.00 C ATOM 403 C ALA A 25 2.237 -4.990 -8.577 1.00 0.00 C ATOM 404 O ALA A 25 2.009 -5.662 -7.567 1.00 0.00 O ATOM 405 CB ALA A 25 0.572 -4.845 -10.497 1.00 0.00 C ATOM 0 H ALA A 25 0.720 -7.256 -10.183 1.00 0.00 H new ATOM 0 HA ALA A 25 2.691 -5.243 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.688 -3.761 -10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.378 -5.170 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.265 -5.132 -9.860 1.00 0.00 H new ATOM 411 N SER A 26 2.788 -3.775 -8.497 1.00 0.00 N ATOM 412 CA SER A 26 3.116 -3.097 -7.229 1.00 0.00 C ATOM 413 C SER A 26 3.018 -1.569 -7.318 1.00 0.00 C ATOM 414 O SER A 26 3.220 -0.978 -8.383 1.00 0.00 O ATOM 415 CB SER A 26 4.486 -3.530 -6.686 1.00 0.00 C ATOM 416 OG SER A 26 5.528 -3.280 -7.617 1.00 0.00 O ATOM 0 H SER A 26 3.024 -3.222 -9.321 1.00 0.00 H new ATOM 0 HA SER A 26 2.354 -3.417 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.693 -2.998 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.462 -4.593 -6.445 1.00 0.00 H new ATOM 0 HG SER A 26 6.384 -3.567 -7.235 1.00 0.00 H new ATOM 422 N GLN A 27 2.687 -0.931 -6.191 1.00 0.00 N ATOM 423 CA GLN A 27 2.513 0.520 -6.047 1.00 0.00 C ATOM 424 C GLN A 27 2.946 1.043 -4.674 1.00 0.00 C ATOM 425 O GLN A 27 2.678 0.414 -3.653 1.00 0.00 O ATOM 426 CB GLN A 27 1.032 0.912 -6.213 1.00 0.00 C ATOM 427 CG GLN A 27 0.564 1.063 -7.663 1.00 0.00 C ATOM 428 CD GLN A 27 -0.918 1.436 -7.797 1.00 0.00 C ATOM 429 OE1 GLN A 27 -1.528 1.244 -8.842 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.545 2.068 -6.822 1.00 0.00 N ATOM 0 H GLN A 27 2.526 -1.431 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 27 3.141 0.960 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.415 0.158 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.860 1.853 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.168 1.827 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.743 0.127 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.067 2.245 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.507 2.380 -6.952 1.00 0.00 H new ATOM 439 N PHE A 28 3.566 2.223 -4.638 1.00 0.00 N ATOM 440 CA PHE A 28 3.824 2.949 -3.389 1.00 0.00 C ATOM 441 C PHE A 28 2.601 3.714 -2.855 1.00 0.00 C ATOM 442 O PHE A 28 2.347 3.761 -1.650 1.00 0.00 O ATOM 443 CB PHE A 28 5.118 3.772 -3.485 1.00 0.00 C ATOM 444 CG PHE A 28 5.246 4.879 -2.454 1.00 0.00 C ATOM 445 CD1 PHE A 28 4.738 6.163 -2.735 1.00 0.00 C ATOM 446 CD2 PHE A 28 5.841 4.622 -1.204 1.00 0.00 C ATOM 447 CE1 PHE A 28 4.819 7.182 -1.771 1.00 0.00 C ATOM 448 CE2 PHE A 28 5.930 5.645 -0.242 1.00 0.00 C ATOM 449 CZ PHE A 28 5.417 6.925 -0.524 1.00 0.00 C ATOM 0 H PHE A 28 3.904 2.704 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 28 4.001 2.208 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.969 3.099 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.179 4.213 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.285 6.364 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.229 3.639 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.422 8.163 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.392 5.448 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.482 7.709 0.216 1.00 0.00 H new ATOM 459 N GLU A 29 1.803 4.263 -3.777 1.00 0.00 N ATOM 460 CA GLU A 29 0.525 4.921 -3.493 1.00 0.00 C ATOM 461 C GLU A 29 -0.616 3.907 -3.294 1.00 0.00 C ATOM 462 O GLU A 29 -0.745 2.934 -4.046 1.00 0.00 O ATOM 463 CB GLU A 29 0.238 5.946 -4.605 1.00 0.00 C ATOM 464 CG GLU A 29 -1.176 6.552 -4.663 1.00 0.00 C ATOM 465 CD GLU A 29 -1.604 7.390 -3.437 1.00 0.00 C ATOM 466 OE1 GLU A 29 -2.624 8.114 -3.540 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.952 7.334 -2.367 1.00 0.00 O ATOM 0 H GLU A 29 2.036 4.261 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 29 0.592 5.454 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.951 6.764 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.439 5.468 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.244 7.181 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.893 5.741 -4.792 1.00 0.00 H new ATOM 474 N ARG A 30 -1.458 4.159 -2.286 1.00 0.00 N ATOM 475 CA ARG A 30 -2.545 3.282 -1.820 1.00 0.00 C ATOM 476 C ARG A 30 -3.575 2.968 -2.935 1.00 0.00 C ATOM 477 O ARG A 30 -4.248 3.891 -3.402 1.00 0.00 O ATOM 478 CB ARG A 30 -3.129 3.931 -0.547 1.00 0.00 C ATOM 479 CG ARG A 30 -4.482 3.436 -0.018 1.00 0.00 C ATOM 480 CD ARG A 30 -4.635 1.921 0.168 1.00 0.00 C ATOM 481 NE ARG A 30 -5.870 1.452 -0.484 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.052 1.245 0.059 1.00 0.00 C ATOM 483 NH1 ARG A 30 -7.279 1.321 1.337 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.054 0.956 -0.713 1.00 0.00 N ATOM 0 H ARG A 30 -1.400 5.021 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.174 2.290 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.397 3.808 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.219 5.001 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.669 3.918 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.260 3.775 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.773 1.406 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.661 1.678 1.230 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.801 1.263 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.519 1.552 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.217 1.150 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.919 0.892 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.977 0.792 -0.311 1.00 0.00 H new ATOM 498 N PRO A 31 -3.707 1.697 -3.382 1.00 0.00 N ATOM 499 CA PRO A 31 -4.522 1.311 -4.540 1.00 0.00 C ATOM 500 C PRO A 31 -6.035 1.449 -4.319 1.00 0.00 C ATOM 501 O PRO A 31 -6.542 1.222 -3.217 1.00 0.00 O ATOM 502 CB PRO A 31 -4.143 -0.145 -4.850 1.00 0.00 C ATOM 503 CG PRO A 31 -3.656 -0.680 -3.505 1.00 0.00 C ATOM 504 CD PRO A 31 -2.950 0.535 -2.930 1.00 0.00 C ATOM 0 HA PRO A 31 -4.314 1.986 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.997 -0.712 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.365 -0.204 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.480 -1.012 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.982 -1.529 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.920 0.489 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.917 0.585 -3.275 1.00 0.00 H new