USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Single : A 1 PCA N :NH3+ -93:sc= 0.0623 (180deg=-0.0512) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 12 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-1.3) USER MOD Single : A 18 SER OG : rot -17:sc= -0.227 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 49:sc= 0.0394 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.741 K(o=-0.74,f=-2.5!) USER MOD Single : A 38 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.93) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -8.997 1.346 -1.864 1.00 0.00 N HETATM 2 CA PCA A 1 -9.412 2.639 -2.345 1.00 0.00 C HETATM 3 CB PCA A 1 -10.919 2.465 -2.557 1.00 0.00 C HETATM 4 CG PCA A 1 -11.146 0.989 -2.531 1.00 0.00 C HETATM 5 CD PCA A 1 -9.923 0.393 -1.941 1.00 0.00 C HETATM 6 OE PCA A 1 -9.757 -0.757 -1.587 1.00 0.00 O HETATM 7 C PCA A 1 -9.137 3.747 -1.334 1.00 0.00 C HETATM 8 O PCA A 1 -9.020 4.918 -1.696 1.00 0.00 O HETATM 0 H2 PCA A 1 -8.027 1.151 -2.184 1.00 0.00 H new HETATM 0 HA PCA A 1 -8.872 2.937 -3.244 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -11.488 2.966 -1.774 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -11.236 2.896 -3.506 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -12.026 0.741 -1.937 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -11.321 0.604 -3.536 1.00 0.00 H new ATOM 15 N THR A 2 -9.033 3.369 -0.064 1.00 0.00 N ATOM 16 CA THR A 2 -8.771 4.328 1.002 1.00 0.00 C ATOM 17 C THR A 2 -8.056 3.657 2.171 1.00 0.00 C ATOM 18 O THR A 2 -8.501 3.741 3.316 1.00 0.00 O ATOM 19 CB THR A 2 -10.079 4.961 1.480 1.00 0.00 C ATOM 20 OG1 THR A 2 -11.155 4.049 1.348 1.00 0.00 O ATOM 21 CG2 THR A 2 -10.448 6.218 0.722 1.00 0.00 C ATOM 0 H THR A 2 -9.126 2.404 0.252 1.00 0.00 H new ATOM 0 HA THR A 2 -8.124 5.110 0.605 1.00 0.00 H new ATOM 0 HB THR A 2 -9.908 5.223 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.982 4.472 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.385 6.616 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.660 6.961 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.565 5.984 -0.336 1.00 0.00 H new ATOM 29 N CYS A 3 -6.945 2.991 1.875 1.00 0.00 N ATOM 30 CA CYS A 3 -6.169 2.305 2.903 1.00 0.00 C ATOM 31 C CYS A 3 -5.206 3.260 3.609 1.00 0.00 C ATOM 32 O CYS A 3 -4.433 2.845 4.472 1.00 0.00 O ATOM 33 CB CYS A 3 -5.390 1.140 2.290 1.00 0.00 C ATOM 34 SG CYS A 3 -4.086 1.647 1.122 1.00 0.00 S ATOM 0 H CYS A 3 -6.562 2.911 0.933 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.869 1.921 3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.937 0.558 3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.089 0.482 1.774 1.00 0.00 H new ATOM 39 N ALA A 4 -5.253 4.539 3.239 1.00 0.00 N ATOM 40 CA ALA A 4 -4.381 5.539 3.843 1.00 0.00 C ATOM 41 C ALA A 4 -4.764 5.797 5.297 1.00 0.00 C ATOM 42 O ALA A 4 -3.914 6.129 6.123 1.00 0.00 O ATOM 43 CB ALA A 4 -4.432 6.832 3.044 1.00 0.00 C ATOM 0 H ALA A 4 -5.884 4.904 2.526 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.361 5.154 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.777 7.571 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.102 6.642 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.454 7.211 3.031 1.00 0.00 H new ATOM 49 N SER A 5 -6.048 5.642 5.601 1.00 0.00 N ATOM 50 CA SER A 5 -6.546 5.860 6.955 1.00 0.00 C ATOM 51 C SER A 5 -6.034 4.788 7.914 1.00 0.00 C ATOM 52 O SER A 5 -5.996 4.996 9.126 1.00 0.00 O ATOM 53 CB SER A 5 -8.076 5.874 6.960 1.00 0.00 C ATOM 54 OG SER A 5 -8.599 4.872 6.106 1.00 0.00 O ATOM 0 H SER A 5 -6.763 5.366 4.928 1.00 0.00 H new ATOM 0 HA SER A 5 -6.175 6.827 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.441 5.717 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.435 6.852 6.640 1.00 0.00 H new ATOM 0 HG SER A 5 -9.578 4.901 6.129 1.00 0.00 H new ATOM 60 N ARG A 6 -5.644 3.640 7.367 1.00 0.00 N ATOM 61 CA ARG A 6 -5.140 2.540 8.182 1.00 0.00 C ATOM 62 C ARG A 6 -3.634 2.369 7.999 1.00 0.00 C ATOM 63 O ARG A 6 -3.106 1.263 8.118 1.00 0.00 O ATOM 64 CB ARG A 6 -5.866 1.240 7.824 1.00 0.00 C ATOM 65 CG ARG A 6 -6.684 0.666 8.971 1.00 0.00 C ATOM 66 CD ARG A 6 -6.131 -0.671 9.439 1.00 0.00 C ATOM 67 NE ARG A 6 -6.628 -1.035 10.764 1.00 0.00 N ATOM 68 CZ ARG A 6 -7.839 -1.542 10.988 1.00 0.00 C ATOM 69 NH1 ARG A 6 -8.678 -1.746 9.980 1.00 0.00 N ATOM 70 NH2 ARG A 6 -8.211 -1.846 12.224 1.00 0.00 N ATOM 0 H ARG A 6 -5.667 3.448 6.366 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.331 2.777 9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.524 1.423 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.132 0.499 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.689 1.370 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.719 0.541 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.404 -1.447 8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.042 -0.626 9.460 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.012 -0.892 11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.397 -1.514 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.604 -2.135 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.570 -1.691 13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.138 -2.234 12.397 1.00 0.00 H new ATOM 84 N CYS A 7 -2.948 3.471 7.712 1.00 0.00 N ATOM 85 CA CYS A 7 -1.503 3.445 7.516 1.00 0.00 C ATOM 86 C CYS A 7 -0.773 3.436 8.858 1.00 0.00 C ATOM 87 O CYS A 7 -1.367 3.732 9.895 1.00 0.00 O ATOM 88 CB CYS A 7 -1.065 4.657 6.689 1.00 0.00 C ATOM 89 SG CYS A 7 -1.079 4.371 4.889 1.00 0.00 S ATOM 0 H CYS A 7 -3.370 4.394 7.610 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.245 2.532 6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.721 5.497 6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.059 4.947 6.993 1.00 0.00 H new ATOM 94 N PRO A 8 0.530 3.090 8.865 1.00 0.00 N ATOM 95 CA PRO A 8 1.287 2.728 7.669 1.00 0.00 C ATOM 96 C PRO A 8 1.186 1.242 7.330 1.00 0.00 C ATOM 97 O PRO A 8 1.830 0.768 6.394 1.00 0.00 O ATOM 98 CB PRO A 8 2.734 3.091 8.042 1.00 0.00 C ATOM 99 CG PRO A 8 2.726 3.427 9.507 1.00 0.00 C ATOM 100 CD PRO A 8 1.380 3.028 10.050 1.00 0.00 C ATOM 0 HA PRO A 8 0.911 3.243 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.407 2.258 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.086 3.937 7.452 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.523 2.896 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.901 4.492 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.398 2.029 10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.039 3.709 10.830 1.00 0.00 H new ATOM 108 N ARG A 9 0.379 0.508 8.092 1.00 0.00 N ATOM 109 CA ARG A 9 0.208 -0.923 7.860 1.00 0.00 C ATOM 110 C ARG A 9 -1.272 -1.283 7.741 1.00 0.00 C ATOM 111 O ARG A 9 -1.836 -1.939 8.617 1.00 0.00 O ATOM 112 CB ARG A 9 0.861 -1.724 8.991 1.00 0.00 C ATOM 113 CG ARG A 9 2.108 -2.478 8.559 1.00 0.00 C ATOM 114 CD ARG A 9 3.345 -1.986 9.295 1.00 0.00 C ATOM 115 NE ARG A 9 4.536 -2.752 8.937 1.00 0.00 N ATOM 116 CZ ARG A 9 5.687 -2.687 9.604 1.00 0.00 C ATOM 117 NH1 ARG A 9 5.804 -1.897 10.664 1.00 0.00 N ATOM 118 NH2 ARG A 9 6.722 -3.416 9.211 1.00 0.00 N ATOM 0 H ARG A 9 -0.164 0.879 8.872 1.00 0.00 H new ATOM 0 HA ARG A 9 0.696 -1.178 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.120 -1.045 9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.136 -2.434 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.973 -3.543 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.252 -2.359 7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.509 -0.933 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.179 -2.056 10.370 1.00 0.00 H new ATOM 0 HE ARG A 9 4.483 -3.373 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.010 -1.336 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.688 -1.851 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.637 -4.026 8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.604 -3.367 9.721 1.00 0.00 H new ATOM 132 N PRO A 10 -1.924 -0.854 6.647 1.00 0.00 N ATOM 133 CA PRO A 10 -3.341 -1.130 6.415 1.00 0.00 C ATOM 134 C PRO A 10 -3.576 -2.527 5.850 1.00 0.00 C ATOM 135 O PRO A 10 -4.492 -3.232 6.273 1.00 0.00 O ATOM 136 CB PRO A 10 -3.728 -0.066 5.391 1.00 0.00 C ATOM 137 CG PRO A 10 -2.483 0.163 4.604 1.00 0.00 C ATOM 138 CD PRO A 10 -1.331 -0.061 5.552 1.00 0.00 C ATOM 0 HA PRO A 10 -3.926 -1.099 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.544 -0.407 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.064 0.850 5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.428 -0.521 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.461 1.174 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.513 -0.596 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.924 0.882 5.916 1.00 0.00 H new ATOM 146 N CYS A 11 -2.744 -2.920 4.891 1.00 0.00 N ATOM 147 CA CYS A 11 -2.863 -4.233 4.267 1.00 0.00 C ATOM 148 C CYS A 11 -2.118 -5.290 5.076 1.00 0.00 C ATOM 149 O CYS A 11 -1.265 -4.966 5.903 1.00 0.00 O ATOM 150 CB CYS A 11 -2.321 -4.193 2.837 1.00 0.00 C ATOM 151 SG CYS A 11 -3.441 -3.398 1.640 1.00 0.00 S ATOM 0 H CYS A 11 -1.981 -2.349 4.529 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.920 -4.500 4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.369 -3.663 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.119 -5.212 2.508 1.00 0.00 H new ATOM 156 N ASN A 12 -2.446 -6.554 4.831 1.00 0.00 N ATOM 157 CA ASN A 12 -1.808 -7.659 5.537 1.00 0.00 C ATOM 158 C ASN A 12 -0.318 -7.722 5.216 1.00 0.00 C ATOM 159 O ASN A 12 0.221 -6.841 4.546 1.00 0.00 O ATOM 160 CB ASN A 12 -2.478 -8.983 5.166 1.00 0.00 C ATOM 161 CG ASN A 12 -2.600 -9.921 6.351 1.00 0.00 C ATOM 162 OD1 ASN A 12 -1.784 -10.826 6.527 1.00 0.00 O ATOM 163 ND2 ASN A 12 -3.623 -9.709 7.171 1.00 0.00 N ATOM 0 H ASN A 12 -3.149 -6.839 4.149 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.924 -7.489 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.470 -8.784 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.903 -9.470 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.757 -10.308 7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.275 -8.947 6.986 1.00 0.00 H new ATOM 170 N ALA A 13 0.342 -8.769 5.699 1.00 0.00 N ATOM 171 CA ALA A 13 1.769 -8.948 5.464 1.00 0.00 C ATOM 172 C ALA A 13 2.028 -9.526 4.077 1.00 0.00 C ATOM 173 O ALA A 13 1.368 -10.476 3.657 1.00 0.00 O ATOM 174 CB ALA A 13 2.371 -9.846 6.534 1.00 0.00 C ATOM 0 H ALA A 13 -0.089 -9.507 6.256 1.00 0.00 H new ATOM 0 HA ALA A 13 2.247 -7.970 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.437 -9.971 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.226 -9.392 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.882 -10.820 6.510 1.00 0.00 H new ATOM 180 N GLY A 14 2.993 -8.947 3.371 1.00 0.00 N ATOM 181 CA GLY A 14 3.322 -9.418 2.039 1.00 0.00 C ATOM 182 C GLY A 14 2.827 -8.482 0.954 1.00 0.00 C ATOM 183 O GLY A 14 3.389 -8.437 -0.140 1.00 0.00 O ATOM 0 H GLY A 14 3.553 -8.160 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.403 -9.529 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.887 -10.406 1.889 1.00 0.00 H new ATOM 187 N LEU A 15 1.773 -7.731 1.257 1.00 0.00 N ATOM 188 CA LEU A 15 1.203 -6.792 0.298 1.00 0.00 C ATOM 189 C LEU A 15 1.570 -5.356 0.659 1.00 0.00 C ATOM 190 O LEU A 15 2.091 -5.092 1.743 1.00 0.00 O ATOM 191 CB LEU A 15 -0.318 -6.944 0.244 1.00 0.00 C ATOM 192 CG LEU A 15 -0.815 -8.287 -0.298 1.00 0.00 C ATOM 193 CD1 LEU A 15 -1.342 -9.159 0.832 1.00 0.00 C ATOM 194 CD2 LEU A 15 -1.891 -8.074 -1.353 1.00 0.00 C ATOM 0 H LEU A 15 1.297 -7.754 2.159 1.00 0.00 H new ATOM 0 HA LEU A 15 1.618 -7.018 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.718 -6.804 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.726 -6.146 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 15 0.027 -8.800 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.690 -10.109 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.545 -9.343 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.169 -8.651 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.231 -9.040 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.732 -7.539 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.482 -7.491 -2.178 1.00 0.00 H new ATOM 206 N CYS A 16 1.296 -4.433 -0.256 1.00 0.00 N ATOM 207 CA CYS A 16 1.598 -3.024 -0.034 1.00 0.00 C ATOM 208 C CYS A 16 0.556 -2.132 -0.700 1.00 0.00 C ATOM 209 O CYS A 16 -0.032 -2.501 -1.717 1.00 0.00 O ATOM 210 CB CYS A 16 2.991 -2.690 -0.571 1.00 0.00 C ATOM 211 SG CYS A 16 4.291 -3.850 -0.039 1.00 0.00 S ATOM 0 H CYS A 16 0.865 -4.635 -1.158 1.00 0.00 H new ATOM 0 HA CYS A 16 1.575 -2.838 1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.955 -2.676 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.262 -1.685 -0.248 1.00 0.00 H new ATOM 216 N CYS A 17 0.331 -0.958 -0.120 1.00 0.00 N ATOM 217 CA CYS A 17 -0.642 -0.014 -0.658 1.00 0.00 C ATOM 218 C CYS A 17 -0.003 0.886 -1.711 1.00 0.00 C ATOM 219 O CYS A 17 1.017 1.526 -1.455 1.00 0.00 O ATOM 220 CB CYS A 17 -1.236 0.836 0.466 1.00 0.00 C ATOM 221 SG CYS A 17 -2.739 0.131 1.215 1.00 0.00 S ATOM 0 H CYS A 17 0.809 -0.637 0.722 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.441 -0.585 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.483 0.969 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.468 1.826 0.074 1.00 0.00 H new ATOM 226 N SER A 18 -0.609 0.927 -2.894 1.00 0.00 N ATOM 227 CA SER A 18 -0.102 1.746 -3.989 1.00 0.00 C ATOM 228 C SER A 18 -0.599 3.184 -3.874 1.00 0.00 C ATOM 229 O SER A 18 -1.740 3.427 -3.476 1.00 0.00 O ATOM 230 CB SER A 18 -0.523 1.151 -5.335 1.00 0.00 C ATOM 231 OG SER A 18 0.589 1.010 -6.202 1.00 0.00 O ATOM 0 H SER A 18 -1.454 0.401 -3.119 1.00 0.00 H new ATOM 0 HA SER A 18 0.986 1.755 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.989 0.179 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.272 1.792 -5.801 1.00 0.00 H new ATOM 0 HG SER A 18 1.329 1.566 -5.878 1.00 0.00 H new ATOM 237 N ILE A 19 0.269 4.132 -4.226 1.00 0.00 N ATOM 238 CA ILE A 19 -0.063 5.553 -4.166 1.00 0.00 C ATOM 239 C ILE A 19 -1.423 5.845 -4.794 1.00 0.00 C ATOM 240 O ILE A 19 -2.129 6.758 -4.367 1.00 0.00 O ATOM 241 CB ILE A 19 1.006 6.407 -4.875 1.00 0.00 C ATOM 242 CG1 ILE A 19 1.264 5.875 -6.286 1.00 0.00 C ATOM 243 CG2 ILE A 19 2.294 6.422 -4.065 1.00 0.00 C ATOM 244 CD1 ILE A 19 1.746 6.935 -7.253 1.00 0.00 C ATOM 0 H ILE A 19 1.214 3.938 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.098 5.816 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 19 0.638 7.430 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.005 5.077 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.346 5.433 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.040 7.029 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.099 6.844 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.667 5.404 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.908 6.487 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.996 7.722 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.681 7.361 -6.889 1.00 0.00 H new ATOM 256 N TYR A 20 -1.784 5.066 -5.807 1.00 0.00 N ATOM 257 CA TYR A 20 -3.060 5.247 -6.491 1.00 0.00 C ATOM 258 C TYR A 20 -4.231 5.036 -5.534 1.00 0.00 C ATOM 259 O TYR A 20 -5.354 5.459 -5.811 1.00 0.00 O ATOM 260 CB TYR A 20 -3.170 4.281 -7.671 1.00 0.00 C ATOM 261 CG TYR A 20 -2.295 4.657 -8.846 1.00 0.00 C ATOM 262 CD1 TYR A 20 -0.945 4.330 -8.863 1.00 0.00 C ATOM 263 CD2 TYR A 20 -2.818 5.340 -9.936 1.00 0.00 C ATOM 264 CE1 TYR A 20 -0.141 4.672 -9.934 1.00 0.00 C ATOM 265 CE2 TYR A 20 -2.021 5.686 -11.011 1.00 0.00 C ATOM 266 CZ TYR A 20 -0.684 5.350 -11.005 1.00 0.00 C ATOM 267 OH TYR A 20 0.113 5.693 -12.073 1.00 0.00 O ATOM 0 H TYR A 20 -1.213 4.304 -6.173 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.101 6.271 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.902 3.279 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.208 4.240 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.517 3.800 -8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.865 5.605 -9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.907 4.410 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.444 6.217 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.424 6.165 -12.743 1.00 0.00 H new ATOM 277 N GLY A 21 -3.966 4.378 -4.409 1.00 0.00 N ATOM 278 CA GLY A 21 -5.010 4.122 -3.435 1.00 0.00 C ATOM 279 C GLY A 21 -5.539 2.706 -3.527 1.00 0.00 C ATOM 280 O GLY A 21 -6.743 2.476 -3.414 1.00 0.00 O ATOM 0 H GLY A 21 -3.046 4.018 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.621 4.299 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.829 4.825 -3.588 1.00 0.00 H new ATOM 284 N TYR A 22 -4.636 1.755 -3.737 1.00 0.00 N ATOM 285 CA TYR A 22 -5.018 0.351 -3.849 1.00 0.00 C ATOM 286 C TYR A 22 -4.019 -0.545 -3.125 1.00 0.00 C ATOM 287 O TYR A 22 -3.080 -0.061 -2.496 1.00 0.00 O ATOM 288 CB TYR A 22 -5.113 -0.055 -5.321 1.00 0.00 C ATOM 289 CG TYR A 22 -6.339 0.486 -6.023 1.00 0.00 C ATOM 290 CD1 TYR A 22 -6.328 1.746 -6.608 1.00 0.00 C ATOM 291 CD2 TYR A 22 -7.506 -0.263 -6.099 1.00 0.00 C ATOM 292 CE1 TYR A 22 -7.446 2.243 -7.251 1.00 0.00 C ATOM 293 CE2 TYR A 22 -8.628 0.227 -6.740 1.00 0.00 C ATOM 294 CZ TYR A 22 -8.593 1.480 -7.314 1.00 0.00 C ATOM 295 OH TYR A 22 -9.708 1.972 -7.953 1.00 0.00 O ATOM 0 H TYR A 22 -3.636 1.929 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.994 0.226 -3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.222 0.294 -5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.116 -1.143 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.432 2.347 -6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.537 -1.245 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.421 3.224 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.528 -0.369 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.429 1.310 -7.909 1.00 0.00 H new ATOM 305 N CYS A 23 -4.228 -1.854 -3.220 1.00 0.00 N ATOM 306 CA CYS A 23 -3.345 -2.818 -2.575 1.00 0.00 C ATOM 307 C CYS A 23 -2.957 -3.931 -3.542 1.00 0.00 C ATOM 308 O CYS A 23 -3.674 -4.209 -4.503 1.00 0.00 O ATOM 309 CB CYS A 23 -4.021 -3.414 -1.339 1.00 0.00 C ATOM 310 SG CYS A 23 -2.864 -4.166 -0.148 1.00 0.00 S ATOM 0 H CYS A 23 -5.001 -2.271 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.439 -2.295 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.587 -2.631 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.738 -4.170 -1.659 1.00 0.00 H new ATOM 315 N GLY A 24 -1.817 -4.565 -3.283 1.00 0.00 N ATOM 316 CA GLY A 24 -1.355 -5.640 -4.140 1.00 0.00 C ATOM 317 C GLY A 24 0.029 -6.131 -3.762 1.00 0.00 C ATOM 318 O GLY A 24 0.306 -6.384 -2.590 1.00 0.00 O ATOM 0 H GLY A 24 -1.206 -4.353 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.059 -6.471 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.345 -5.297 -5.174 1.00 0.00 H new ATOM 322 N SER A 25 0.899 -6.267 -4.758 1.00 0.00 N ATOM 323 CA SER A 25 2.261 -6.732 -4.525 1.00 0.00 C ATOM 324 C SER A 25 3.190 -6.281 -5.648 1.00 0.00 C ATOM 325 O SER A 25 2.801 -5.494 -6.512 1.00 0.00 O ATOM 326 CB SER A 25 2.286 -8.258 -4.404 1.00 0.00 C ATOM 327 OG SER A 25 2.397 -8.660 -3.050 1.00 0.00 O ATOM 0 H SER A 25 0.685 -6.062 -5.734 1.00 0.00 H new ATOM 0 HA SER A 25 2.614 -6.295 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.377 -8.675 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.124 -8.658 -4.975 1.00 0.00 H new ATOM 0 HG SER A 25 1.741 -8.172 -2.509 1.00 0.00 H new ATOM 333 N GLY A 26 4.421 -6.783 -5.630 1.00 0.00 N ATOM 334 CA GLY A 26 5.386 -6.420 -6.651 1.00 0.00 C ATOM 335 C GLY A 26 5.781 -4.958 -6.581 1.00 0.00 C ATOM 336 O GLY A 26 5.602 -4.310 -5.551 1.00 0.00 O ATOM 0 H GLY A 26 4.767 -7.435 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.276 -7.039 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.968 -6.634 -7.635 1.00 0.00 H new ATOM 340 N ALA A 27 6.319 -4.439 -7.679 1.00 0.00 N ATOM 341 CA ALA A 27 6.740 -3.044 -7.737 1.00 0.00 C ATOM 342 C ALA A 27 5.561 -2.127 -8.048 1.00 0.00 C ATOM 343 O ALA A 27 5.538 -0.968 -7.634 1.00 0.00 O ATOM 344 CB ALA A 27 7.837 -2.866 -8.776 1.00 0.00 C ATOM 0 H ALA A 27 6.474 -4.963 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 27 7.133 -2.768 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.141 -1.820 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.694 -3.485 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.463 -3.165 -9.755 1.00 0.00 H new ATOM 350 N ALA A 28 4.585 -2.653 -8.780 1.00 0.00 N ATOM 351 CA ALA A 28 3.404 -1.881 -9.147 1.00 0.00 C ATOM 352 C ALA A 28 2.630 -1.436 -7.912 1.00 0.00 C ATOM 353 O ALA A 28 2.070 -0.340 -7.879 1.00 0.00 O ATOM 354 CB ALA A 28 2.509 -2.694 -10.069 1.00 0.00 C ATOM 0 H ALA A 28 4.589 -3.611 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 28 3.736 -0.987 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.631 -2.106 -10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.059 -2.955 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.195 -3.605 -9.560 1.00 0.00 H new ATOM 360 N TYR A 29 2.601 -2.293 -6.897 1.00 0.00 N ATOM 361 CA TYR A 29 1.893 -1.987 -5.658 1.00 0.00 C ATOM 362 C TYR A 29 2.873 -1.707 -4.523 1.00 0.00 C ATOM 363 O TYR A 29 2.572 -0.943 -3.605 1.00 0.00 O ATOM 364 CB TYR A 29 0.970 -3.145 -5.275 1.00 0.00 C ATOM 365 CG TYR A 29 -0.264 -3.250 -6.144 1.00 0.00 C ATOM 366 CD1 TYR A 29 -1.381 -2.463 -5.896 1.00 0.00 C ATOM 367 CD2 TYR A 29 -0.311 -4.138 -7.213 1.00 0.00 C ATOM 368 CE1 TYR A 29 -2.510 -2.557 -6.687 1.00 0.00 C ATOM 369 CE2 TYR A 29 -1.436 -4.236 -8.009 1.00 0.00 C ATOM 370 CZ TYR A 29 -2.533 -3.444 -7.742 1.00 0.00 C ATOM 371 OH TYR A 29 -3.655 -3.540 -8.532 1.00 0.00 O ATOM 0 H TYR A 29 3.059 -3.204 -6.907 1.00 0.00 H new ATOM 0 HA TYR A 29 1.294 -1.092 -5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.528 -4.079 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.663 -3.025 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.367 -1.766 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.546 -4.761 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.371 -1.938 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.456 -4.930 -8.837 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.506 -4.210 -9.231 1.00 0.00 H new ATOM 381 N CYS A 30 4.045 -2.332 -4.588 1.00 0.00 N ATOM 382 CA CYS A 30 5.066 -2.150 -3.562 1.00 0.00 C ATOM 383 C CYS A 30 6.353 -1.591 -4.161 1.00 0.00 C ATOM 384 O CYS A 30 7.453 -1.991 -3.777 1.00 0.00 O ATOM 385 CB CYS A 30 5.352 -3.477 -2.857 1.00 0.00 C ATOM 386 SG CYS A 30 5.910 -3.298 -1.132 1.00 0.00 S ATOM 0 H CYS A 30 4.311 -2.968 -5.340 1.00 0.00 H new ATOM 0 HA CYS A 30 4.687 -1.433 -2.834 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.449 -4.087 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.113 -4.018 -3.419 1.00 0.00 H new ATOM 391 N GLY A 31 6.210 -0.663 -5.101 1.00 0.00 N ATOM 392 CA GLY A 31 7.371 -0.064 -5.732 1.00 0.00 C ATOM 393 C GLY A 31 7.974 1.047 -4.894 1.00 0.00 C ATOM 394 O GLY A 31 7.397 1.453 -3.887 1.00 0.00 O ATOM 0 H GLY A 31 5.312 -0.315 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.123 -0.833 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.088 0.333 -6.707 1.00 0.00 H new ATOM 398 N ALA A 32 9.136 1.539 -5.310 1.00 0.00 N ATOM 399 CA ALA A 32 9.812 2.609 -4.587 1.00 0.00 C ATOM 400 C ALA A 32 9.105 3.943 -4.797 1.00 0.00 C ATOM 401 O ALA A 32 9.024 4.766 -3.885 1.00 0.00 O ATOM 402 CB ALA A 32 11.266 2.705 -5.021 1.00 0.00 C ATOM 0 H ALA A 32 9.628 1.214 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 32 9.779 2.373 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.757 3.509 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.771 1.762 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.314 2.914 -6.090 1.00 0.00 H new ATOM 408 N GLY A 33 8.593 4.148 -6.005 1.00 0.00 N ATOM 409 CA GLY A 33 7.896 5.381 -6.317 1.00 0.00 C ATOM 410 C GLY A 33 6.440 5.147 -6.668 1.00 0.00 C ATOM 411 O GLY A 33 5.846 5.912 -7.429 1.00 0.00 O ATOM 0 H GLY A 33 8.648 3.481 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.957 6.056 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.393 5.876 -7.151 1.00 0.00 H new ATOM 415 N ASN A 34 5.864 4.086 -6.112 1.00 0.00 N ATOM 416 CA ASN A 34 4.469 3.750 -6.369 1.00 0.00 C ATOM 417 C ASN A 34 3.840 3.068 -5.157 1.00 0.00 C ATOM 418 O ASN A 34 2.917 2.267 -5.294 1.00 0.00 O ATOM 419 CB ASN A 34 4.363 2.835 -7.591 1.00 0.00 C ATOM 420 CG ASN A 34 4.103 3.605 -8.871 1.00 0.00 C ATOM 421 OD1 ASN A 34 4.029 4.834 -8.866 1.00 0.00 O ATOM 422 ND2 ASN A 34 3.964 2.883 -9.976 1.00 0.00 N ATOM 0 H ASN A 34 6.343 3.444 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 34 3.928 4.676 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.286 2.264 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.559 2.116 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.788 3.345 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.033 1.866 -9.933 1.00 0.00 H new ATOM 429 N CYS A 35 4.348 3.388 -3.970 1.00 0.00 N ATOM 430 CA CYS A 35 3.833 2.800 -2.738 1.00 0.00 C ATOM 431 C CYS A 35 3.402 3.879 -1.750 1.00 0.00 C ATOM 432 O CYS A 35 4.195 4.740 -1.368 1.00 0.00 O ATOM 433 CB CYS A 35 4.894 1.903 -2.096 1.00 0.00 C ATOM 434 SG CYS A 35 6.373 2.795 -1.515 1.00 0.00 S ATOM 0 H CYS A 35 5.113 4.049 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 35 2.959 2.200 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.447 1.376 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.200 1.147 -2.819 1.00 0.00 H new ATOM 439 N ARG A 36 2.141 3.821 -1.334 1.00 0.00 N ATOM 440 CA ARG A 36 1.603 4.786 -0.384 1.00 0.00 C ATOM 441 C ARG A 36 2.017 4.423 1.037 1.00 0.00 C ATOM 442 O ARG A 36 2.379 5.291 1.832 1.00 0.00 O ATOM 443 CB ARG A 36 0.077 4.836 -0.480 1.00 0.00 C ATOM 444 CG ARG A 36 -0.532 6.073 0.159 1.00 0.00 C ATOM 445 CD ARG A 36 -0.642 7.218 -0.835 1.00 0.00 C ATOM 446 NE ARG A 36 -1.946 7.246 -1.494 1.00 0.00 N ATOM 447 CZ ARG A 36 -2.437 8.313 -2.120 1.00 0.00 C ATOM 448 NH1 ARG A 36 -1.737 9.440 -2.176 1.00 0.00 N ATOM 449 NH2 ARG A 36 -3.631 8.254 -2.694 1.00 0.00 N ATOM 0 H ARG A 36 1.472 3.114 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 36 2.007 5.768 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.214 4.799 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.338 3.949 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.521 5.833 0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.078 6.384 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.476 8.164 -0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.142 7.123 -1.586 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.513 6.398 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.817 9.491 -1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.119 10.254 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.173 7.391 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.007 9.072 -3.174 1.00 0.00 H new ATOM 463 N CYS A 37 1.960 3.133 1.349 1.00 0.00 N ATOM 464 CA CYS A 37 2.329 2.650 2.674 1.00 0.00 C ATOM 465 C CYS A 37 2.848 1.218 2.604 1.00 0.00 C ATOM 466 O CYS A 37 2.607 0.507 1.628 1.00 0.00 O ATOM 467 CB CYS A 37 1.129 2.726 3.620 1.00 0.00 C ATOM 468 SG CYS A 37 0.885 4.364 4.379 1.00 0.00 S ATOM 0 H CYS A 37 1.662 2.403 0.702 1.00 0.00 H new ATOM 0 HA CYS A 37 3.125 3.288 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.228 2.454 3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.255 1.986 4.410 1.00 0.00 H new ATOM 473 N GLN A 38 3.564 0.801 3.643 1.00 0.00 N ATOM 474 CA GLN A 38 4.120 -0.546 3.697 1.00 0.00 C ATOM 475 C GLN A 38 5.119 -0.761 2.563 1.00 0.00 C ATOM 476 O GLN A 38 5.087 -1.781 1.874 1.00 0.00 O ATOM 477 CB GLN A 38 2.999 -1.587 3.624 1.00 0.00 C ATOM 478 CG GLN A 38 2.652 -2.202 4.971 1.00 0.00 C ATOM 479 CD GLN A 38 2.598 -3.717 4.924 1.00 0.00 C ATOM 480 OE1 GLN A 38 3.365 -4.354 4.202 1.00 0.00 O ATOM 481 NE2 GLN A 38 1.690 -4.301 5.696 1.00 0.00 N ATOM 0 H GLN A 38 3.773 1.376 4.459 1.00 0.00 H new ATOM 0 HA GLN A 38 4.645 -0.664 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.107 -1.120 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.295 -2.380 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.391 -1.891 5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.688 -1.818 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.075 -3.733 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.607 -5.318 5.707 1.00 0.00 H new ATOM 490 N CYS A 39 6.006 0.209 2.377 1.00 0.00 N ATOM 491 CA CYS A 39 7.018 0.130 1.330 1.00 0.00 C ATOM 492 C CYS A 39 8.176 -0.763 1.759 1.00 0.00 C ATOM 493 O CYS A 39 8.814 -1.411 0.930 1.00 0.00 O ATOM 494 CB CYS A 39 7.535 1.528 0.985 1.00 0.00 C ATOM 495 SG CYS A 39 6.230 2.706 0.508 1.00 0.00 S ATOM 0 H CYS A 39 6.045 1.060 2.938 1.00 0.00 H new ATOM 0 HA CYS A 39 6.556 -0.307 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.073 1.927 1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.253 1.447 0.169 1.00 0.00 H new ATOM 500 N ARG A 40 8.442 -0.793 3.061 1.00 0.00 N ATOM 501 CA ARG A 40 9.523 -1.608 3.602 1.00 0.00 C ATOM 502 C ARG A 40 9.112 -3.075 3.678 1.00 0.00 C ATOM 503 O ARG A 40 9.944 -3.972 3.543 1.00 0.00 O ATOM 504 CB ARG A 40 9.923 -1.106 4.990 1.00 0.00 C ATOM 505 CG ARG A 40 11.406 -1.250 5.286 1.00 0.00 C ATOM 506 CD ARG A 40 11.832 -2.709 5.304 1.00 0.00 C ATOM 507 NE ARG A 40 12.379 -3.135 4.018 1.00 0.00 N ATOM 508 CZ ARG A 40 13.504 -2.654 3.495 1.00 0.00 C ATOM 509 NH1 ARG A 40 14.204 -1.733 4.144 1.00 0.00 N ATOM 510 NH2 ARG A 40 13.930 -3.095 2.320 1.00 0.00 N ATOM 0 H ARG A 40 7.923 -0.262 3.761 1.00 0.00 H new ATOM 0 HA ARG A 40 10.379 -1.523 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.643 -0.057 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.356 -1.654 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.982 -0.711 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.632 -0.792 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.579 -2.859 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.976 -3.334 5.559 1.00 0.00 H new ATOM 0 HE ARG A 40 11.868 -3.843 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.881 -1.390 5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.066 -1.368 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.395 -3.803 1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.792 -2.726 1.919 1.00 0.00 H new ATOM 524 N GLY A 41 7.822 -3.312 3.895 1.00 0.00 N ATOM 525 CA GLY A 41 7.323 -4.671 3.986 1.00 0.00 C ATOM 526 C GLY A 41 7.529 -5.274 5.361 1.00 0.00 C ATOM 527 O GLY A 41 7.730 -6.504 5.446 1.00 0.00 O ATOM 528 OXT GLY A 41 7.489 -4.517 6.353 1.00 0.00 O ATOM 0 H GLY A 41 7.114 -2.587 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.260 -4.681 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.825 -5.290 3.242 1.00 0.00 H new TER 532 GLY A 41