USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= 0.51 K(o=1.4,f=-8!) USER MOD Set 1.2: A 15 THR OG1 : rot 86:sc= 0.939 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 -174:sc= 0 (180deg=-0.027) 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= -0.0431 K(o=-0.043,f=-6.4!) USER MOD Single : A 21 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.02) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.981 K(o=0.98,f=-0.00069) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.073 -2.392 2.983 1.00 0.00 N ATOM 2 CA LYS A 1 -10.895 -1.483 2.970 1.00 0.00 C ATOM 3 C LYS A 1 -10.147 -1.542 1.634 1.00 0.00 C ATOM 4 O LYS A 1 -10.228 -0.599 0.845 1.00 0.00 O ATOM 5 CB LYS A 1 -9.969 -1.717 4.189 1.00 0.00 C ATOM 6 CG LYS A 1 -8.736 -0.791 4.208 1.00 0.00 C ATOM 7 CD LYS A 1 -7.792 -1.143 5.369 1.00 0.00 C ATOM 8 CE LYS A 1 -6.489 -0.332 5.319 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.710 1.110 5.611 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.553 -2.325 3.903 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.732 -2.117 2.227 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.758 -3.371 2.828 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.270 -0.464 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.541 -1.567 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.635 -2.755 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.200 -0.875 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.059 0.246 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.298 -0.957 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.558 -2.207 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.781 -0.742 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.037 -0.436 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.803 1.616 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.365 1.510 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.117 1.213 6.563 1.00 0.00 H new ATOM 25 N LEU A 2 -9.378 -2.611 1.390 1.00 0.00 N ATOM 26 CA LEU A 2 -8.465 -2.753 0.250 1.00 0.00 C ATOM 27 C LEU A 2 -9.137 -3.492 -0.937 1.00 0.00 C ATOM 28 O LEU A 2 -9.832 -4.486 -0.696 1.00 0.00 O ATOM 29 CB LEU A 2 -7.214 -3.482 0.782 1.00 0.00 C ATOM 30 CG LEU A 2 -5.947 -3.311 -0.068 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.369 -1.900 0.054 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.877 -4.281 0.426 1.00 0.00 C ATOM 0 H LEU A 2 -9.375 -3.427 2.001 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.186 -1.781 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.006 -3.125 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.439 -4.546 0.860 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.222 -3.501 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.473 -1.819 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.108 -1.174 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.113 -1.700 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.975 -4.164 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.648 -4.069 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.243 -5.304 0.335 1.00 0.00 H new ATOM 44 N PRO A 3 -8.972 -3.044 -2.200 1.00 0.00 N ATOM 45 CA PRO A 3 -9.619 -3.657 -3.365 1.00 0.00 C ATOM 46 C PRO A 3 -9.084 -5.069 -3.700 1.00 0.00 C ATOM 47 O PRO A 3 -7.983 -5.432 -3.266 1.00 0.00 O ATOM 48 CB PRO A 3 -9.413 -2.674 -4.525 1.00 0.00 C ATOM 49 CG PRO A 3 -8.169 -1.888 -4.123 1.00 0.00 C ATOM 50 CD PRO A 3 -8.268 -1.839 -2.606 1.00 0.00 C ATOM 0 HA PRO A 3 -10.676 -3.824 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.267 -3.197 -5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.275 -2.020 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.255 -2.383 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.165 -0.889 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.277 -1.797 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.805 -0.948 -2.281 1.00 0.00 H new ATOM 58 N PRO A 4 -9.829 -5.873 -4.492 1.00 0.00 N ATOM 59 CA PRO A 4 -9.474 -7.255 -4.825 1.00 0.00 C ATOM 60 C PRO A 4 -8.073 -7.427 -5.434 1.00 0.00 C ATOM 61 O PRO A 4 -7.627 -6.627 -6.261 1.00 0.00 O ATOM 62 CB PRO A 4 -10.561 -7.752 -5.784 1.00 0.00 C ATOM 63 CG PRO A 4 -11.775 -6.920 -5.385 1.00 0.00 C ATOM 64 CD PRO A 4 -11.152 -5.571 -5.032 1.00 0.00 C ATOM 0 HA PRO A 4 -9.427 -7.841 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.285 -7.590 -6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.747 -8.820 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.493 -6.834 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.305 -7.356 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.079 -4.932 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.761 -5.038 -4.301 1.00 0.00 H new ATOM 72 N GLY A 5 -7.383 -8.494 -5.025 1.00 0.00 N ATOM 73 CA GLY A 5 -6.044 -8.873 -5.493 1.00 0.00 C ATOM 74 C GLY A 5 -4.876 -8.133 -4.826 1.00 0.00 C ATOM 75 O GLY A 5 -3.761 -8.655 -4.828 1.00 0.00 O ATOM 0 H GLY A 5 -7.754 -9.144 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.912 -9.943 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.992 -8.703 -6.568 1.00 0.00 H new ATOM 79 N TRP A 6 -5.101 -6.965 -4.218 1.00 0.00 N ATOM 80 CA TRP A 6 -4.075 -6.228 -3.469 1.00 0.00 C ATOM 81 C TRP A 6 -3.825 -6.769 -2.054 1.00 0.00 C ATOM 82 O TRP A 6 -4.726 -7.297 -1.396 1.00 0.00 O ATOM 83 CB TRP A 6 -4.402 -4.731 -3.423 1.00 0.00 C ATOM 84 CG TRP A 6 -4.363 -4.015 -4.736 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.417 -3.883 -5.569 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.204 -3.546 -5.498 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.026 -3.238 -6.725 1.00 0.00 N ATOM 88 CE2 TRP A 6 -3.662 -3.045 -6.754 1.00 0.00 C ATOM 89 CE3 TRP A 6 -1.816 -3.470 -5.244 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.791 -2.503 -7.710 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -0.931 -2.923 -6.197 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.416 -2.446 -7.428 1.00 0.00 C ATOM 0 H TRP A 6 -6.008 -6.499 -4.231 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.145 -6.380 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.396 -4.609 -2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.700 -4.246 -2.745 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.418 -4.231 -5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.665 -2.942 -7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.427 -3.836 -4.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.172 -2.134 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.126 -2.870 -5.980 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.732 -2.036 -8.156 1.00 0.00 H new ATOM 103 N GLU A 7 -2.605 -6.571 -1.559 1.00 0.00 N ATOM 104 CA GLU A 7 -2.174 -6.806 -0.179 1.00 0.00 C ATOM 105 C GLU A 7 -1.073 -5.792 0.194 1.00 0.00 C ATOM 106 O GLU A 7 -0.266 -5.401 -0.659 1.00 0.00 O ATOM 107 CB GLU A 7 -1.688 -8.263 -0.046 1.00 0.00 C ATOM 108 CG GLU A 7 -1.462 -8.683 1.416 1.00 0.00 C ATOM 109 CD GLU A 7 -1.065 -10.167 1.590 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.983 -10.932 0.598 1.00 0.00 O ATOM 111 OE2 GLU A 7 -0.833 -10.586 2.751 1.00 0.00 O ATOM 0 H GLU A 7 -1.845 -6.222 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.003 -6.662 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.421 -8.929 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.758 -8.384 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.681 -8.056 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.373 -8.492 1.983 1.00 0.00 H new ATOM 118 N LYS A 8 -1.019 -5.348 1.457 1.00 0.00 N ATOM 119 CA LYS A 8 0.080 -4.497 1.949 1.00 0.00 C ATOM 120 C LYS A 8 1.417 -5.243 1.995 1.00 0.00 C ATOM 121 O LYS A 8 1.471 -6.443 2.283 1.00 0.00 O ATOM 122 CB LYS A 8 -0.266 -3.845 3.298 1.00 0.00 C ATOM 123 CG LYS A 8 -1.209 -2.662 3.047 1.00 0.00 C ATOM 124 CD LYS A 8 -1.695 -1.963 4.322 1.00 0.00 C ATOM 125 CE LYS A 8 -0.576 -1.114 4.939 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.036 -0.414 6.165 1.00 0.00 N ATOM 0 H LYS A 8 -1.725 -5.563 2.161 1.00 0.00 H new ATOM 0 HA LYS A 8 0.203 -3.690 1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.739 -4.572 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.642 -3.505 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.699 -1.932 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.075 -3.015 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.552 -1.330 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.033 -2.707 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.275 -1.751 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.229 -0.382 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.255 0.151 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.832 0.213 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.344 -1.114 6.870 1.00 0.00 H new ATOM 140 N ARG A 9 2.497 -4.518 1.707 1.00 0.00 N ATOM 141 CA ARG A 9 3.863 -5.037 1.504 1.00 0.00 C ATOM 142 C ARG A 9 4.891 -4.043 2.061 1.00 0.00 C ATOM 143 O ARG A 9 4.565 -2.874 2.267 1.00 0.00 O ATOM 144 CB ARG A 9 4.030 -5.308 -0.008 1.00 0.00 C ATOM 145 CG ARG A 9 5.140 -6.296 -0.400 1.00 0.00 C ATOM 146 CD ARG A 9 4.857 -7.734 0.058 1.00 0.00 C ATOM 147 NE ARG A 9 5.956 -8.642 -0.327 1.00 0.00 N ATOM 148 CZ ARG A 9 6.080 -9.329 -1.451 1.00 0.00 C ATOM 149 NH1 ARG A 9 5.211 -9.257 -2.418 1.00 0.00 N ATOM 150 NH2 ARG A 9 7.101 -10.116 -1.628 1.00 0.00 N ATOM 0 H ARG A 9 2.449 -3.505 1.602 1.00 0.00 H new ATOM 0 HA ARG A 9 4.030 -5.969 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.083 -5.684 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.224 -4.359 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.263 -6.284 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.084 -5.963 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.726 -7.755 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.923 -8.082 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 9 6.708 -8.753 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.394 -8.653 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.347 -9.805 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.809 -10.205 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.193 -10.644 -2.496 1.00 0.00 H new ATOM 164 N MET A 10 6.133 -4.473 2.298 1.00 0.00 N ATOM 165 CA MET A 10 7.129 -3.669 3.027 1.00 0.00 C ATOM 166 C MET A 10 8.573 -4.034 2.659 1.00 0.00 C ATOM 167 O MET A 10 8.924 -5.206 2.503 1.00 0.00 O ATOM 168 CB MET A 10 7.001 -3.835 4.560 1.00 0.00 C ATOM 169 CG MET A 10 5.649 -3.474 5.191 1.00 0.00 C ATOM 170 SD MET A 10 4.414 -4.809 5.209 1.00 0.00 S ATOM 171 CE MET A 10 2.970 -3.870 5.775 1.00 0.00 C ATOM 0 H MET A 10 6.479 -5.383 1.994 1.00 0.00 H new ATOM 0 HA MET A 10 6.919 -2.641 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 10 7.224 -4.873 4.808 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.769 -3.223 5.032 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.822 -3.148 6.217 1.00 0.00 H new ATOM 0 HG3 MET A 10 5.232 -2.623 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.137 -4.552 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.214 -3.352 6.703 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.690 -3.141 5.015 1.00 0.00 H new ATOM 181 N PHE A 11 9.410 -3.002 2.546 1.00 0.00 N ATOM 182 CA PHE A 11 10.865 -3.093 2.412 1.00 0.00 C ATOM 183 C PHE A 11 11.617 -3.467 3.699 1.00 0.00 C ATOM 184 O PHE A 11 11.135 -3.198 4.803 1.00 0.00 O ATOM 185 CB PHE A 11 11.418 -1.806 1.781 1.00 0.00 C ATOM 186 CG PHE A 11 11.112 -1.635 0.306 1.00 0.00 C ATOM 187 CD1 PHE A 11 10.037 -0.821 -0.103 1.00 0.00 C ATOM 188 CD2 PHE A 11 11.911 -2.273 -0.663 1.00 0.00 C ATOM 189 CE1 PHE A 11 9.763 -0.647 -1.472 1.00 0.00 C ATOM 190 CE2 PHE A 11 11.634 -2.100 -2.032 1.00 0.00 C ATOM 191 CZ PHE A 11 10.560 -1.288 -2.436 1.00 0.00 C ATOM 0 H PHE A 11 9.078 -2.038 2.545 1.00 0.00 H new ATOM 0 HA PHE A 11 11.051 -3.936 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.014 -0.951 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.499 -1.788 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.422 -0.329 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.738 -2.896 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.940 -0.021 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.247 -2.592 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.347 -1.157 -3.487 1.00 0.00 H new ATOM 201 N ALA A 12 12.831 -4.014 3.576 1.00 0.00 N ATOM 202 CA ALA A 12 13.696 -4.344 4.719 1.00 0.00 C ATOM 203 C ALA A 12 14.109 -3.114 5.563 1.00 0.00 C ATOM 204 O ALA A 12 14.448 -3.253 6.741 1.00 0.00 O ATOM 205 CB ALA A 12 14.926 -5.086 4.178 1.00 0.00 C ATOM 0 H ALA A 12 13.247 -4.243 2.673 1.00 0.00 H new ATOM 0 HA ALA A 12 13.131 -4.974 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.588 -5.344 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.607 -5.996 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.457 -4.445 3.475 1.00 0.00 H new ATOM 211 N ASN A 13 14.056 -1.908 4.981 1.00 0.00 N ATOM 212 CA ASN A 13 14.314 -0.629 5.658 1.00 0.00 C ATOM 213 C ASN A 13 13.113 -0.088 6.483 1.00 0.00 C ATOM 214 O ASN A 13 13.247 0.943 7.147 1.00 0.00 O ATOM 215 CB ASN A 13 14.812 0.391 4.608 1.00 0.00 C ATOM 216 CG ASN A 13 13.777 0.799 3.566 1.00 0.00 C ATOM 217 OD1 ASN A 13 12.580 0.609 3.759 1.00 0.00 O ATOM 218 ND2 ASN A 13 14.221 1.417 2.480 1.00 0.00 N ATOM 0 H ASN A 13 13.825 -1.792 3.994 1.00 0.00 H new ATOM 0 HA ASN A 13 15.086 -0.799 6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.155 1.286 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 13 15.676 -0.031 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.561 1.749 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.222 1.560 2.348 1.00 0.00 H new ATOM 224 N GLY A 14 11.946 -0.751 6.441 1.00 0.00 N ATOM 225 CA GLY A 14 10.719 -0.337 7.139 1.00 0.00 C ATOM 226 C GLY A 14 9.760 0.565 6.341 1.00 0.00 C ATOM 227 O GLY A 14 8.889 1.200 6.939 1.00 0.00 O ATOM 0 H GLY A 14 11.827 -1.612 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.177 -1.233 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.003 0.186 8.052 1.00 0.00 H new ATOM 231 N THR A 15 9.880 0.625 5.009 1.00 0.00 N ATOM 232 CA THR A 15 9.023 1.439 4.121 1.00 0.00 C ATOM 233 C THR A 15 7.868 0.595 3.577 1.00 0.00 C ATOM 234 O THR A 15 8.091 -0.499 3.057 1.00 0.00 O ATOM 235 CB THR A 15 9.856 1.977 2.944 1.00 0.00 C ATOM 236 OG1 THR A 15 10.901 2.789 3.432 1.00 0.00 O ATOM 237 CG2 THR A 15 9.073 2.792 1.921 1.00 0.00 C ATOM 0 H THR A 15 10.591 0.098 4.501 1.00 0.00 H new ATOM 0 HA THR A 15 8.618 2.272 4.696 1.00 0.00 H new ATOM 0 HB THR A 15 10.223 1.088 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.672 2.228 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.745 3.127 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.285 2.174 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.628 3.658 2.410 1.00 0.00 H new ATOM 245 N VAL A 16 6.634 1.103 3.665 1.00 0.00 N ATOM 246 CA VAL A 16 5.397 0.402 3.280 1.00 0.00 C ATOM 247 C VAL A 16 4.978 0.745 1.844 1.00 0.00 C ATOM 248 O VAL A 16 5.103 1.892 1.407 1.00 0.00 O ATOM 249 CB VAL A 16 4.265 0.738 4.276 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.966 -0.008 3.961 1.00 0.00 C ATOM 251 CG2 VAL A 16 4.650 0.411 5.727 1.00 0.00 C ATOM 0 H VAL A 16 6.459 2.044 4.017 1.00 0.00 H new ATOM 0 HA VAL A 16 5.591 -0.670 3.315 1.00 0.00 H new ATOM 0 HB VAL A 16 4.107 1.811 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.204 0.264 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.624 0.262 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.144 -1.083 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.822 0.665 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.871 -0.653 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.530 0.989 6.009 1.00 0.00 H new ATOM 261 N TYR A 17 4.456 -0.246 1.120 1.00 0.00 N ATOM 262 CA TYR A 17 3.891 -0.123 -0.229 1.00 0.00 C ATOM 263 C TYR A 17 2.803 -1.204 -0.429 1.00 0.00 C ATOM 264 O TYR A 17 2.383 -1.877 0.517 1.00 0.00 O ATOM 265 CB TYR A 17 5.034 -0.233 -1.260 1.00 0.00 C ATOM 266 CG TYR A 17 5.723 -1.582 -1.400 1.00 0.00 C ATOM 267 CD1 TYR A 17 6.754 -1.950 -0.513 1.00 0.00 C ATOM 268 CD2 TYR A 17 5.396 -2.428 -2.480 1.00 0.00 C ATOM 269 CE1 TYR A 17 7.477 -3.140 -0.724 1.00 0.00 C ATOM 270 CE2 TYR A 17 6.103 -3.629 -2.681 1.00 0.00 C ATOM 271 CZ TYR A 17 7.161 -3.976 -1.816 1.00 0.00 C ATOM 272 OH TYR A 17 7.872 -5.115 -2.037 1.00 0.00 O ATOM 0 H TYR A 17 4.413 -1.202 1.473 1.00 0.00 H new ATOM 0 HA TYR A 17 3.412 0.846 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.635 0.044 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.792 0.507 -1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.990 -1.318 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.600 -2.153 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.275 -3.413 -0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.835 -4.284 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 17 7.520 -5.571 -2.830 1.00 0.00 H new ATOM 282 N TYR A 18 2.311 -1.351 -1.659 1.00 0.00 N ATOM 283 CA TYR A 18 1.213 -2.241 -2.040 1.00 0.00 C ATOM 284 C TYR A 18 1.583 -3.230 -3.147 1.00 0.00 C ATOM 285 O TYR A 18 2.273 -2.865 -4.102 1.00 0.00 O ATOM 286 CB TYR A 18 -0.029 -1.412 -2.396 1.00 0.00 C ATOM 287 CG TYR A 18 -0.583 -0.646 -1.213 1.00 0.00 C ATOM 288 CD1 TYR A 18 -0.062 0.624 -0.898 1.00 0.00 C ATOM 289 CD2 TYR A 18 -1.588 -1.213 -0.410 1.00 0.00 C ATOM 290 CE1 TYR A 18 -0.508 1.312 0.245 1.00 0.00 C ATOM 291 CE2 TYR A 18 -2.074 -0.505 0.704 1.00 0.00 C ATOM 292 CZ TYR A 18 -1.522 0.746 1.050 1.00 0.00 C ATOM 293 OH TYR A 18 -1.965 1.397 2.159 1.00 0.00 O ATOM 0 H TYR A 18 2.683 -0.830 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 18 0.986 -2.865 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.224 -0.710 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.801 -2.074 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.684 1.072 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.985 -2.189 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.078 2.268 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.874 -0.922 1.298 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.664 0.865 2.593 1.00 0.00 H new ATOM 303 N PHE A 19 1.110 -4.471 -3.037 1.00 0.00 N ATOM 304 CA PHE A 19 1.389 -5.568 -3.965 1.00 0.00 C ATOM 305 C PHE A 19 0.151 -6.330 -4.445 1.00 0.00 C ATOM 306 O PHE A 19 -0.671 -6.741 -3.627 1.00 0.00 O ATOM 307 CB PHE A 19 2.490 -6.472 -3.396 1.00 0.00 C ATOM 308 CG PHE A 19 2.687 -7.798 -4.107 1.00 0.00 C ATOM 309 CD1 PHE A 19 3.538 -7.857 -5.225 1.00 0.00 C ATOM 310 CD2 PHE A 19 2.065 -8.976 -3.642 1.00 0.00 C ATOM 311 CE1 PHE A 19 3.770 -9.080 -5.877 1.00 0.00 C ATOM 312 CE2 PHE A 19 2.324 -10.204 -4.277 1.00 0.00 C ATOM 313 CZ PHE A 19 3.169 -10.256 -5.399 1.00 0.00 C ATOM 0 H PHE A 19 0.499 -4.751 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 19 1.764 -5.119 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.432 -5.925 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.264 -6.673 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.016 -6.958 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.391 -8.935 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.411 -9.116 -6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.872 -11.110 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.356 -11.198 -5.893 1.00 0.00 H new ATOM 323 N ASN A 20 0.001 -6.523 -5.754 1.00 0.00 N ATOM 324 CA ASN A 20 -1.085 -7.303 -6.334 1.00 0.00 C ATOM 325 C ASN A 20 -0.625 -8.761 -6.492 1.00 0.00 C ATOM 326 O ASN A 20 0.226 -9.064 -7.330 1.00 0.00 O ATOM 327 CB ASN A 20 -1.514 -6.651 -7.656 1.00 0.00 C ATOM 328 CG ASN A 20 -2.783 -7.276 -8.210 1.00 0.00 C ATOM 329 OD1 ASN A 20 -2.959 -8.486 -8.232 1.00 0.00 O ATOM 330 ND2 ASN A 20 -3.692 -6.478 -8.723 1.00 0.00 N ATOM 0 H ASN A 20 0.640 -6.136 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.961 -7.316 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.673 -5.584 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.711 -6.750 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.539 -6.869 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.551 -5.468 -8.708 1.00 0.00 H new ATOM 337 N HIS A 21 -1.184 -9.674 -5.696 1.00 0.00 N ATOM 338 CA HIS A 21 -0.766 -11.083 -5.682 1.00 0.00 C ATOM 339 C HIS A 21 -1.230 -11.863 -6.925 1.00 0.00 C ATOM 340 O HIS A 21 -0.618 -12.872 -7.284 1.00 0.00 O ATOM 341 CB HIS A 21 -1.210 -11.739 -4.359 1.00 0.00 C ATOM 342 CG HIS A 21 -2.490 -12.543 -4.441 1.00 0.00 C ATOM 343 ND1 HIS A 21 -2.587 -13.912 -4.721 1.00 0.00 N ATOM 344 CD2 HIS A 21 -3.750 -12.038 -4.323 1.00 0.00 C ATOM 345 CE1 HIS A 21 -3.904 -14.190 -4.759 1.00 0.00 C ATOM 346 NE2 HIS A 21 -4.624 -13.085 -4.510 1.00 0.00 N ATOM 0 H HIS A 21 -1.938 -9.461 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 21 0.322 -11.116 -5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.411 -12.392 -4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.336 -10.959 -3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.013 -11.010 -4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.322 -15.165 -4.961 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.642 -13.031 -4.467 1.00 0.00 H new ATOM 354 N ILE A 22 -2.280 -11.385 -7.606 1.00 0.00 N ATOM 355 CA ILE A 22 -2.866 -12.025 -8.790 1.00 0.00 C ATOM 356 C ILE A 22 -2.042 -11.714 -10.052 1.00 0.00 C ATOM 357 O ILE A 22 -1.821 -12.590 -10.891 1.00 0.00 O ATOM 358 CB ILE A 22 -4.343 -11.577 -8.947 1.00 0.00 C ATOM 359 CG1 ILE A 22 -5.123 -11.945 -7.660 1.00 0.00 C ATOM 360 CG2 ILE A 22 -4.983 -12.224 -10.186 1.00 0.00 C ATOM 361 CD1 ILE A 22 -6.637 -11.707 -7.680 1.00 0.00 C ATOM 0 H ILE A 22 -2.756 -10.522 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.846 -13.107 -8.656 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.380 -10.497 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.947 -12.999 -7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.700 -11.376 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.018 -11.895 -10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.430 -11.928 -11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.955 -13.309 -10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.065 -12.004 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.837 -10.650 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.088 -12.298 -8.478 1.00 0.00 H new ATOM 373 N THR A 23 -1.568 -10.470 -10.170 1.00 0.00 N ATOM 374 CA THR A 23 -0.868 -9.915 -11.348 1.00 0.00 C ATOM 375 C THR A 23 0.636 -9.669 -11.184 1.00 0.00 C ATOM 376 O THR A 23 1.319 -9.343 -12.158 1.00 0.00 O ATOM 377 CB THR A 23 -1.571 -8.645 -11.853 1.00 0.00 C ATOM 378 OG1 THR A 23 -1.247 -7.564 -11.010 1.00 0.00 O ATOM 379 CG2 THR A 23 -3.097 -8.727 -11.891 1.00 0.00 C ATOM 0 H THR A 23 -1.662 -9.787 -9.418 1.00 0.00 H new ATOM 0 HA THR A 23 -0.933 -10.707 -12.094 1.00 0.00 H new ATOM 0 HB THR A 23 -1.218 -8.517 -12.876 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.694 -6.753 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.503 -7.785 -12.260 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.401 -9.538 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.476 -8.917 -10.887 1.00 0.00 H new ATOM 387 N ASN A 24 1.156 -9.814 -9.961 1.00 0.00 N ATOM 388 CA ASN A 24 2.520 -9.469 -9.534 1.00 0.00 C ATOM 389 C ASN A 24 2.894 -7.972 -9.673 1.00 0.00 C ATOM 390 O ASN A 24 4.068 -7.616 -9.520 1.00 0.00 O ATOM 391 CB ASN A 24 3.554 -10.447 -10.136 1.00 0.00 C ATOM 392 CG ASN A 24 3.302 -11.891 -9.734 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.578 -12.632 -10.386 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.931 -12.360 -8.678 1.00 0.00 N ATOM 0 H ASN A 24 0.604 -10.199 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 24 2.544 -9.608 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.532 -10.368 -11.223 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.554 -10.154 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.814 -13.336 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.536 -11.747 -8.131 1.00 0.00 H new ATOM 401 N ALA A 25 1.928 -7.083 -9.941 1.00 0.00 N ATOM 402 CA ALA A 25 2.139 -5.631 -9.936 1.00 0.00 C ATOM 403 C ALA A 25 2.424 -5.083 -8.520 1.00 0.00 C ATOM 404 O ALA A 25 2.080 -5.706 -7.513 1.00 0.00 O ATOM 405 CB ALA A 25 0.920 -4.951 -10.574 1.00 0.00 C ATOM 0 H ALA A 25 0.972 -7.354 -10.169 1.00 0.00 H new ATOM 0 HA ALA A 25 3.029 -5.405 -10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.065 -3.871 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.802 -5.303 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.026 -5.196 -10.001 1.00 0.00 H new ATOM 411 N SER A 26 3.027 -3.894 -8.426 1.00 0.00 N ATOM 412 CA SER A 26 3.269 -3.192 -7.153 1.00 0.00 C ATOM 413 C SER A 26 3.335 -1.668 -7.311 1.00 0.00 C ATOM 414 O SER A 26 3.717 -1.158 -8.370 1.00 0.00 O ATOM 415 CB SER A 26 4.527 -3.721 -6.449 1.00 0.00 C ATOM 416 OG SER A 26 5.689 -3.565 -7.249 1.00 0.00 O ATOM 0 H SER A 26 3.367 -3.382 -9.240 1.00 0.00 H new ATOM 0 HA SER A 26 2.405 -3.406 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.663 -3.193 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.391 -4.775 -6.208 1.00 0.00 H new ATOM 0 HG SER A 26 6.468 -3.912 -6.766 1.00 0.00 H new ATOM 422 N GLN A 27 2.940 -0.936 -6.264 1.00 0.00 N ATOM 423 CA GLN A 27 2.904 0.533 -6.232 1.00 0.00 C ATOM 424 C GLN A 27 3.012 1.077 -4.797 1.00 0.00 C ATOM 425 O GLN A 27 2.596 0.418 -3.845 1.00 0.00 O ATOM 426 CB GLN A 27 1.624 1.031 -6.934 1.00 0.00 C ATOM 427 CG GLN A 27 0.314 0.722 -6.190 1.00 0.00 C ATOM 428 CD GLN A 27 -0.907 1.234 -6.956 1.00 0.00 C ATOM 429 OE1 GLN A 27 -1.105 0.966 -8.135 1.00 0.00 O ATOM 430 NE2 GLN A 27 -1.773 1.994 -6.322 1.00 0.00 N ATOM 0 H GLN A 27 2.627 -1.359 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 27 3.772 0.914 -6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.700 2.109 -7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.575 0.584 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.225 -0.354 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.341 1.179 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.624 2.227 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.594 2.350 -6.812 1.00 0.00 H new ATOM 439 N PHE A 28 3.549 2.289 -4.625 1.00 0.00 N ATOM 440 CA PHE A 28 3.617 2.973 -3.324 1.00 0.00 C ATOM 441 C PHE A 28 2.321 3.609 -2.797 1.00 0.00 C ATOM 442 O PHE A 28 1.991 3.489 -1.615 1.00 0.00 O ATOM 443 CB PHE A 28 4.849 3.893 -3.266 1.00 0.00 C ATOM 444 CG PHE A 28 4.820 4.940 -2.167 1.00 0.00 C ATOM 445 CD1 PHE A 28 5.320 4.634 -0.886 1.00 0.00 C ATOM 446 CD2 PHE A 28 4.270 6.213 -2.416 1.00 0.00 C ATOM 447 CE1 PHE A 28 5.269 5.596 0.139 1.00 0.00 C ATOM 448 CE2 PHE A 28 4.214 7.172 -1.389 1.00 0.00 C ATOM 449 CZ PHE A 28 4.717 6.865 -0.112 1.00 0.00 C ATOM 0 H PHE A 28 3.953 2.830 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 28 3.746 2.177 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.738 3.276 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.951 4.399 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.743 3.660 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.890 6.453 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.654 5.360 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.785 8.144 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.679 7.603 0.675 1.00 0.00 H new ATOM 459 N GLU A 29 1.570 4.274 -3.678 1.00 0.00 N ATOM 460 CA GLU A 29 0.302 4.936 -3.345 1.00 0.00 C ATOM 461 C GLU A 29 -0.823 3.920 -3.065 1.00 0.00 C ATOM 462 O GLU A 29 -0.948 2.907 -3.759 1.00 0.00 O ATOM 463 CB GLU A 29 -0.057 5.924 -4.470 1.00 0.00 C ATOM 464 CG GLU A 29 -1.365 6.693 -4.217 1.00 0.00 C ATOM 465 CD GLU A 29 -1.654 7.800 -5.256 1.00 0.00 C ATOM 466 OE1 GLU A 29 -2.722 8.452 -5.149 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.839 8.042 -6.181 1.00 0.00 O ATOM 0 H GLU A 29 1.828 4.370 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 29 0.421 5.496 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.758 6.638 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.142 5.378 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.195 5.986 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.324 7.142 -3.225 1.00 0.00 H new ATOM 474 N ARG A 30 -1.666 4.194 -2.059 1.00 0.00 N ATOM 475 CA ARG A 30 -2.750 3.296 -1.620 1.00 0.00 C ATOM 476 C ARG A 30 -3.776 3.037 -2.752 1.00 0.00 C ATOM 477 O ARG A 30 -4.317 4.003 -3.298 1.00 0.00 O ATOM 478 CB ARG A 30 -3.333 3.857 -0.308 1.00 0.00 C ATOM 479 CG ARG A 30 -4.502 3.055 0.283 1.00 0.00 C ATOM 480 CD ARG A 30 -5.861 3.516 -0.263 1.00 0.00 C ATOM 481 NE ARG A 30 -6.685 2.376 -0.696 1.00 0.00 N ATOM 482 CZ ARG A 30 -7.743 1.867 -0.099 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.121 2.192 1.104 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.456 0.995 -0.738 1.00 0.00 N ATOM 0 H ARG A 30 -1.615 5.057 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.372 2.298 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.536 3.907 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.667 4.879 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.363 1.997 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.496 3.155 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.391 4.078 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.706 4.193 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.402 1.924 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.587 2.877 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.951 1.762 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.194 0.716 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.280 0.587 -0.296 1.00 0.00 H new ATOM 498 N PRO A 31 -4.055 1.769 -3.129 1.00 0.00 N ATOM 499 CA PRO A 31 -4.839 1.422 -4.320 1.00 0.00 C ATOM 500 C PRO A 31 -6.348 1.652 -4.177 1.00 0.00 C ATOM 501 O PRO A 31 -6.973 1.175 -3.227 1.00 0.00 O ATOM 502 CB PRO A 31 -4.532 -0.056 -4.591 1.00 0.00 C ATOM 503 CG PRO A 31 -4.181 -0.615 -3.215 1.00 0.00 C ATOM 504 CD PRO A 31 -3.472 0.563 -2.559 1.00 0.00 C ATOM 0 HA PRO A 31 -4.556 2.076 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.390 -0.570 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.705 -0.171 -5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.069 -0.916 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.536 -1.491 -3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.605 0.542 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.399 0.524 -2.749 1.00 0.00 H new