USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 248 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 11 ASN : amide:sc= 0.16 K(o=2.1,f=-0.87!) USER MOD Set 1.2: A 13 SER OG : rot -158:sc= 0.947 USER MOD Set 1.3: A 31 SER OG : rot 164:sc= 0.957 USER MOD Set 2.1: A 1 ALA N :NH3+ -151:sc= 0.809 (180deg=0) USER MOD Set 2.2: A 18 TYR OH : rot -17:sc= 1.91 USER MOD Set 3.1: A 5 LYS NZ :NH3+ 152:sc= 0.479! (180deg=-0.401) USER MOD Set 3.2: A 6 ASN : amide:sc= 1.89 K(o=2.4,f=-19!) USER MOD Single : A 21 SER OG : rot 117:sc= 1.09 USER MOD Single : A 22 SER OG : rot 171:sc= 0.854 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.34 K(o=-2.3,f=-8.9!) USER MOD Single : A 30 GLN : amide:sc= -0.255 K(o=-0.26,f=-2!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.942 -2.289 -6.217 1.00 1.17 N ATOM 2 CA ALA A 1 12.792 -3.353 -5.593 1.00 1.06 C ATOM 3 C ALA A 1 12.222 -3.740 -4.222 1.00 0.90 C ATOM 4 O ALA A 1 12.134 -2.921 -3.328 1.00 1.00 O ATOM 5 CB ALA A 1 14.183 -2.723 -5.446 1.00 1.30 C ATOM 0 H1 ALA A 1 11.992 -2.368 -7.253 1.00 1.17 H new ATOM 0 H2 ALA A 1 10.956 -2.407 -5.908 1.00 1.17 H new ATOM 0 H3 ALA A 1 12.287 -1.353 -5.924 1.00 1.17 H new ATOM 0 HA ALA A 1 12.826 -4.263 -6.193 1.00 1.06 H new ATOM 0 HB1 ALA A 1 14.863 -3.445 -4.994 1.00 1.30 H new ATOM 0 HB2 ALA A 1 14.558 -2.436 -6.428 1.00 1.30 H new ATOM 0 HB3 ALA A 1 14.117 -1.840 -4.811 1.00 1.30 H new ATOM 10 N GLY A 2 11.816 -4.975 -4.056 1.00 0.77 N ATOM 11 CA GLY A 2 11.230 -5.406 -2.748 1.00 0.69 C ATOM 12 C GLY A 2 9.727 -5.105 -2.743 1.00 0.58 C ATOM 13 O GLY A 2 9.261 -4.230 -3.451 1.00 0.62 O ATOM 0 H GLY A 2 11.865 -5.703 -4.769 1.00 0.77 H new ATOM 0 HA2 GLY A 2 11.400 -6.472 -2.594 1.00 0.69 H new ATOM 0 HA3 GLY A 2 11.720 -4.883 -1.927 1.00 0.69 H new ATOM 17 N CYS A 3 8.962 -5.822 -1.959 1.00 0.56 N ATOM 18 CA CYS A 3 7.484 -5.573 -1.915 1.00 0.49 C ATOM 19 C CYS A 3 6.885 -6.101 -0.603 1.00 0.49 C ATOM 20 O CYS A 3 7.370 -7.057 -0.032 1.00 0.59 O ATOM 21 CB CYS A 3 6.911 -6.342 -3.113 1.00 0.50 C ATOM 22 SG CYS A 3 6.951 -8.122 -2.769 1.00 0.58 S ATOM 0 H CYS A 3 9.294 -6.568 -1.348 1.00 0.56 H new ATOM 0 HA CYS A 3 7.250 -4.509 -1.962 1.00 0.49 H new ATOM 0 HB2 CYS A 3 5.887 -6.022 -3.308 1.00 0.50 H new ATOM 0 HB3 CYS A 3 7.490 -6.122 -4.010 1.00 0.50 H new ATOM 27 N ILE A 4 5.832 -5.489 -0.126 1.00 0.45 N ATOM 28 CA ILE A 4 5.204 -5.963 1.146 1.00 0.46 C ATOM 29 C ILE A 4 3.859 -6.638 0.848 1.00 0.44 C ATOM 30 O ILE A 4 2.972 -6.044 0.260 1.00 0.60 O ATOM 31 CB ILE A 4 4.997 -4.709 2.003 1.00 0.50 C ATOM 32 CG1 ILE A 4 6.321 -3.950 2.146 1.00 0.53 C ATOM 33 CG2 ILE A 4 4.506 -5.123 3.393 1.00 0.56 C ATOM 34 CD1 ILE A 4 6.131 -2.502 1.691 1.00 0.65 C ATOM 0 H ILE A 4 5.380 -4.684 -0.560 1.00 0.45 H new ATOM 0 HA ILE A 4 5.828 -6.696 1.658 1.00 0.46 H new ATOM 0 HB ILE A 4 4.260 -4.065 1.523 1.00 0.50 H new ATOM 0 HG12 ILE A 4 6.657 -3.975 3.183 1.00 0.53 H new ATOM 0 HG13 ILE A 4 7.095 -4.432 1.548 1.00 0.53 H new ATOM 0 HG21 ILE A 4 4.357 -4.234 4.006 1.00 0.56 H new ATOM 0 HG22 ILE A 4 3.563 -5.662 3.300 1.00 0.56 H new ATOM 0 HG23 ILE A 4 5.248 -5.768 3.864 1.00 0.56 H new ATOM 0 HD11 ILE A 4 7.072 -1.962 1.793 1.00 0.65 H new ATOM 0 HD12 ILE A 4 5.815 -2.487 0.648 1.00 0.65 H new ATOM 0 HD13 ILE A 4 5.370 -2.024 2.308 1.00 0.65 H new ATOM 46 N LYS A 5 3.708 -7.877 1.243 1.00 0.38 N ATOM 47 CA LYS A 5 2.430 -8.603 0.984 1.00 0.41 C ATOM 48 C LYS A 5 1.277 -7.997 1.801 1.00 0.41 C ATOM 49 O LYS A 5 0.213 -7.727 1.278 1.00 0.57 O ATOM 50 CB LYS A 5 2.703 -10.048 1.420 1.00 0.46 C ATOM 51 CG LYS A 5 1.438 -10.894 1.224 1.00 0.63 C ATOM 52 CD LYS A 5 1.800 -12.386 1.269 1.00 0.72 C ATOM 53 CE LYS A 5 2.342 -12.756 2.655 1.00 0.71 C ATOM 54 NZ LYS A 5 1.150 -12.754 3.558 1.00 0.88 N ATOM 0 H LYS A 5 4.419 -8.418 1.736 1.00 0.38 H new ATOM 0 HA LYS A 5 2.129 -8.538 -0.062 1.00 0.41 H new ATOM 0 HB2 LYS A 5 3.525 -10.465 0.838 1.00 0.46 H new ATOM 0 HB3 LYS A 5 3.009 -10.071 2.466 1.00 0.46 H new ATOM 0 HG2 LYS A 5 0.710 -10.663 2.002 1.00 0.63 H new ATOM 0 HG3 LYS A 5 0.971 -10.652 0.269 1.00 0.63 H new ATOM 0 HD2 LYS A 5 0.921 -12.988 1.041 1.00 0.72 H new ATOM 0 HD3 LYS A 5 2.546 -12.610 0.507 1.00 0.72 H new ATOM 0 HE2 LYS A 5 2.823 -13.734 2.641 1.00 0.71 H new ATOM 0 HE3 LYS A 5 3.090 -12.037 2.990 1.00 0.71 H new ATOM 0 HZ1 LYS A 5 1.309 -13.416 4.344 1.00 0.88 H new ATOM 0 HZ2 LYS A 5 1.002 -11.796 3.936 1.00 0.88 H new ATOM 0 HZ3 LYS A 5 0.308 -13.048 3.023 1.00 0.88 H new ATOM 68 N ASN A 6 1.474 -7.788 3.079 1.00 0.34 N ATOM 69 CA ASN A 6 0.378 -7.212 3.920 1.00 0.37 C ATOM 70 C ASN A 6 0.939 -6.258 4.986 1.00 0.32 C ATOM 71 O ASN A 6 1.833 -6.604 5.732 1.00 0.42 O ATOM 72 CB ASN A 6 -0.312 -8.422 4.578 1.00 0.50 C ATOM 73 CG ASN A 6 0.718 -9.490 4.981 1.00 0.56 C ATOM 74 OD1 ASN A 6 0.688 -10.596 4.480 1.00 0.66 O ATOM 75 ND2 ASN A 6 1.635 -9.209 5.861 1.00 0.72 N ATOM 0 H ASN A 6 2.342 -7.990 3.575 1.00 0.34 H new ATOM 0 HA ASN A 6 -0.317 -6.624 3.321 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -0.866 -8.095 5.458 1.00 0.50 H new ATOM 0 HB3 ASN A 6 -1.037 -8.853 3.887 1.00 0.50 H new ATOM 0 HD21 ASN A 6 2.322 -9.915 6.125 1.00 0.72 H new ATOM 0 HD22 ASN A 6 1.667 -8.282 6.286 1.00 0.72 H new ATOM 82 N GLY A 7 0.410 -5.061 5.061 1.00 0.31 N ATOM 83 CA GLY A 7 0.894 -4.074 6.081 1.00 0.38 C ATOM 84 C GLY A 7 2.026 -3.214 5.506 1.00 0.37 C ATOM 85 O GLY A 7 2.837 -2.681 6.238 1.00 0.57 O ATOM 0 H GLY A 7 -0.339 -4.722 4.458 1.00 0.31 H new ATOM 0 HA2 GLY A 7 0.069 -3.435 6.397 1.00 0.38 H new ATOM 0 HA3 GLY A 7 1.246 -4.602 6.967 1.00 0.38 H new ATOM 89 N GLY A 8 2.090 -3.067 4.205 1.00 0.31 N ATOM 90 CA GLY A 8 3.177 -2.237 3.594 1.00 0.37 C ATOM 91 C GLY A 8 2.776 -0.760 3.585 1.00 0.32 C ATOM 92 O GLY A 8 2.001 -0.309 4.411 1.00 0.32 O ATOM 0 H GLY A 8 1.439 -3.485 3.540 1.00 0.31 H new ATOM 0 HA2 GLY A 8 4.102 -2.366 4.156 1.00 0.37 H new ATOM 0 HA3 GLY A 8 3.373 -2.574 2.576 1.00 0.37 H new ATOM 96 N ARG A 9 3.301 0.000 2.659 1.00 0.36 N ATOM 97 CA ARG A 9 2.958 1.449 2.590 1.00 0.34 C ATOM 98 C ARG A 9 2.816 1.898 1.129 1.00 0.33 C ATOM 99 O ARG A 9 3.681 1.649 0.313 1.00 0.41 O ATOM 100 CB ARG A 9 4.136 2.158 3.243 1.00 0.41 C ATOM 101 CG ARG A 9 3.680 3.539 3.716 1.00 0.45 C ATOM 102 CD ARG A 9 3.428 3.499 5.222 1.00 0.53 C ATOM 103 NE ARG A 9 2.082 2.874 5.390 1.00 0.40 N ATOM 104 CZ ARG A 9 1.793 2.259 6.491 1.00 0.44 C ATOM 105 NH1 ARG A 9 1.470 2.941 7.545 1.00 0.57 N ATOM 106 NH2 ARG A 9 1.818 0.966 6.531 1.00 0.45 N ATOM 0 H ARG A 9 3.955 -0.323 1.946 1.00 0.36 H new ATOM 0 HA ARG A 9 2.012 1.671 3.084 1.00 0.34 H new ATOM 0 HB2 ARG A 9 4.508 1.574 4.085 1.00 0.41 H new ATOM 0 HB3 ARG A 9 4.958 2.254 2.534 1.00 0.41 H new ATOM 0 HG2 ARG A 9 4.439 4.285 3.482 1.00 0.45 H new ATOM 0 HG3 ARG A 9 2.771 3.834 3.191 1.00 0.45 H new ATOM 0 HD2 ARG A 9 4.196 2.918 5.732 1.00 0.53 H new ATOM 0 HD3 ARG A 9 3.450 4.501 5.649 1.00 0.53 H new ATOM 0 HE ARG A 9 1.393 2.932 4.640 1.00 0.40 H new ATOM 0 HH11 ARG A 9 1.444 3.960 7.505 1.00 0.57 H new ATOM 0 HH12 ARG A 9 1.242 2.459 8.414 1.00 0.57 H new ATOM 0 HH21 ARG A 9 2.065 0.435 5.696 1.00 0.45 H new ATOM 0 HH22 ARG A 9 1.591 0.478 7.397 1.00 0.45 H new ATOM 120 N CYS A 10 1.739 2.561 0.792 1.00 0.29 N ATOM 121 CA CYS A 10 1.563 3.030 -0.622 1.00 0.29 C ATOM 122 C CYS A 10 0.700 4.293 -0.681 1.00 0.27 C ATOM 123 O CYS A 10 0.264 4.812 0.331 1.00 0.30 O ATOM 124 CB CYS A 10 0.870 1.881 -1.357 1.00 0.32 C ATOM 125 SG CYS A 10 -0.630 1.396 -0.465 1.00 0.32 S ATOM 0 H CYS A 10 0.977 2.798 1.427 1.00 0.29 H new ATOM 0 HA CYS A 10 2.522 3.284 -1.074 1.00 0.29 H new ATOM 0 HB2 CYS A 10 0.617 2.187 -2.372 1.00 0.32 H new ATOM 0 HB3 CYS A 10 1.546 1.030 -1.439 1.00 0.32 H new ATOM 130 N ASN A 11 0.448 4.782 -1.867 1.00 0.30 N ATOM 131 CA ASN A 11 -0.391 6.009 -2.024 1.00 0.33 C ATOM 132 C ASN A 11 -0.821 6.189 -3.492 1.00 0.39 C ATOM 133 O ASN A 11 -0.640 5.309 -4.315 1.00 0.48 O ATOM 134 CB ASN A 11 0.504 7.167 -1.553 1.00 0.38 C ATOM 135 CG ASN A 11 1.423 7.629 -2.685 1.00 0.44 C ATOM 136 OD1 ASN A 11 2.230 6.870 -3.177 1.00 0.56 O ATOM 137 ND2 ASN A 11 1.335 8.852 -3.117 1.00 0.49 N ATOM 0 H ASN A 11 0.790 4.381 -2.741 1.00 0.30 H new ATOM 0 HA ASN A 11 -1.314 5.957 -1.446 1.00 0.33 H new ATOM 0 HB2 ASN A 11 -0.115 7.999 -1.217 1.00 0.38 H new ATOM 0 HB3 ASN A 11 1.101 6.848 -0.699 1.00 0.38 H new ATOM 0 HD21 ASN A 11 1.945 9.172 -3.869 1.00 0.49 H new ATOM 0 HD22 ASN A 11 0.656 9.491 -2.704 1.00 0.49 H new ATOM 144 N ALA A 12 -1.388 7.321 -3.824 1.00 0.46 N ATOM 145 CA ALA A 12 -1.834 7.567 -5.231 1.00 0.57 C ATOM 146 C ALA A 12 -0.654 8.048 -6.091 1.00 0.61 C ATOM 147 O ALA A 12 -0.664 9.133 -6.644 1.00 0.76 O ATOM 148 CB ALA A 12 -2.916 8.649 -5.122 1.00 0.67 C ATOM 0 H ALA A 12 -1.563 8.091 -3.178 1.00 0.46 H new ATOM 0 HA ALA A 12 -2.215 6.664 -5.709 1.00 0.57 H new ATOM 0 HB1 ALA A 12 -3.295 8.886 -6.116 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -3.733 8.285 -4.499 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -2.490 9.546 -4.673 1.00 0.67 H new ATOM 154 N SER A 13 0.368 7.243 -6.206 1.00 0.55 N ATOM 155 CA SER A 13 1.557 7.635 -7.033 1.00 0.64 C ATOM 156 C SER A 13 2.149 6.402 -7.729 1.00 0.60 C ATOM 157 O SER A 13 2.335 5.367 -7.116 1.00 0.82 O ATOM 158 CB SER A 13 2.567 8.218 -6.041 1.00 0.70 C ATOM 159 OG SER A 13 2.111 9.488 -5.565 1.00 0.85 O ATOM 0 H SER A 13 0.435 6.327 -5.763 1.00 0.55 H new ATOM 0 HA SER A 13 1.293 8.350 -7.812 1.00 0.64 H new ATOM 0 HB2 SER A 13 2.702 7.534 -5.203 1.00 0.70 H new ATOM 0 HB3 SER A 13 3.539 8.329 -6.522 1.00 0.70 H new ATOM 0 HG SER A 13 2.873 10.004 -5.228 1.00 0.85 H new ATOM 165 N ALA A 14 2.445 6.502 -9.001 1.00 0.69 N ATOM 166 CA ALA A 14 3.023 5.329 -9.730 1.00 0.71 C ATOM 167 C ALA A 14 4.559 5.365 -9.684 1.00 0.66 C ATOM 168 O ALA A 14 5.189 6.188 -10.321 1.00 1.11 O ATOM 169 CB ALA A 14 2.516 5.468 -11.168 1.00 0.95 C ATOM 0 H ALA A 14 2.312 7.341 -9.565 1.00 0.69 H new ATOM 0 HA ALA A 14 2.725 4.380 -9.284 1.00 0.71 H new ATOM 0 HB1 ALA A 14 2.897 4.643 -11.770 1.00 0.95 H new ATOM 0 HB2 ALA A 14 1.426 5.448 -11.173 1.00 0.95 H new ATOM 0 HB3 ALA A 14 2.863 6.413 -11.587 1.00 0.95 H new ATOM 175 N GLY A 15 5.164 4.476 -8.934 1.00 0.75 N ATOM 176 CA GLY A 15 6.658 4.454 -8.847 1.00 0.78 C ATOM 177 C GLY A 15 7.106 3.490 -7.740 1.00 0.55 C ATOM 178 O GLY A 15 6.697 2.346 -7.718 1.00 0.48 O ATOM 0 H GLY A 15 4.688 3.765 -8.379 1.00 0.75 H new ATOM 0 HA2 GLY A 15 7.081 4.145 -9.803 1.00 0.78 H new ATOM 0 HA3 GLY A 15 7.033 5.456 -8.641 1.00 0.78 H new ATOM 182 N PRO A 16 7.945 3.983 -6.854 1.00 0.57 N ATOM 183 CA PRO A 16 8.460 3.148 -5.737 1.00 0.55 C ATOM 184 C PRO A 16 7.376 2.709 -4.712 1.00 0.54 C ATOM 185 O PRO A 16 7.509 1.646 -4.137 1.00 0.55 O ATOM 186 CB PRO A 16 9.528 4.028 -5.085 1.00 0.77 C ATOM 187 CG PRO A 16 9.159 5.425 -5.456 1.00 0.87 C ATOM 188 CD PRO A 16 8.499 5.344 -6.809 1.00 0.77 C ATOM 0 HA PRO A 16 8.844 2.198 -6.108 1.00 0.55 H new ATOM 0 HB2 PRO A 16 9.540 3.897 -4.003 1.00 0.77 H new ATOM 0 HB3 PRO A 16 10.524 3.774 -5.448 1.00 0.77 H new ATOM 0 HG2 PRO A 16 8.482 5.857 -4.719 1.00 0.87 H new ATOM 0 HG3 PRO A 16 10.042 6.064 -5.492 1.00 0.87 H new ATOM 0 HD2 PRO A 16 7.718 6.097 -6.918 1.00 0.77 H new ATOM 0 HD3 PRO A 16 9.216 5.510 -7.613 1.00 0.77 H new ATOM 196 N PRO A 17 6.346 3.512 -4.483 1.00 0.64 N ATOM 197 CA PRO A 17 5.304 3.122 -3.488 1.00 0.73 C ATOM 198 C PRO A 17 4.331 2.072 -4.060 1.00 0.63 C ATOM 199 O PRO A 17 3.132 2.283 -4.110 1.00 0.82 O ATOM 200 CB PRO A 17 4.574 4.430 -3.208 1.00 0.95 C ATOM 201 CG PRO A 17 4.773 5.265 -4.432 1.00 0.95 C ATOM 202 CD PRO A 17 6.052 4.817 -5.091 1.00 0.80 C ATOM 0 HA PRO A 17 5.734 2.664 -2.597 1.00 0.73 H new ATOM 0 HB2 PRO A 17 3.515 4.256 -3.019 1.00 0.95 H new ATOM 0 HB3 PRO A 17 4.978 4.925 -2.325 1.00 0.95 H new ATOM 0 HG2 PRO A 17 3.931 5.150 -5.114 1.00 0.95 H new ATOM 0 HG3 PRO A 17 4.828 6.321 -4.169 1.00 0.95 H new ATOM 0 HD2 PRO A 17 5.933 4.733 -6.171 1.00 0.80 H new ATOM 0 HD3 PRO A 17 6.859 5.528 -4.914 1.00 0.80 H new ATOM 210 N TYR A 18 4.828 0.932 -4.467 1.00 0.42 N ATOM 211 CA TYR A 18 3.918 -0.125 -5.013 1.00 0.36 C ATOM 212 C TYR A 18 3.791 -1.292 -4.019 1.00 0.28 C ATOM 213 O TYR A 18 4.716 -1.615 -3.296 1.00 0.30 O ATOM 214 CB TYR A 18 4.550 -0.577 -6.341 1.00 0.33 C ATOM 215 CG TYR A 18 5.910 -1.184 -6.098 1.00 0.26 C ATOM 216 CD1 TYR A 18 6.024 -2.543 -5.789 1.00 0.32 C ATOM 217 CD2 TYR A 18 7.054 -0.385 -6.180 1.00 0.34 C ATOM 218 CE1 TYR A 18 7.285 -3.100 -5.558 1.00 0.42 C ATOM 219 CE2 TYR A 18 8.315 -0.942 -5.951 1.00 0.47 C ATOM 220 CZ TYR A 18 8.430 -2.301 -5.640 1.00 0.50 C ATOM 221 OH TYR A 18 9.673 -2.852 -5.405 1.00 0.69 O ATOM 0 H TYR A 18 5.818 0.686 -4.446 1.00 0.42 H new ATOM 0 HA TYR A 18 2.907 0.250 -5.173 1.00 0.36 H new ATOM 0 HB2 TYR A 18 3.902 -1.305 -6.830 1.00 0.33 H new ATOM 0 HB3 TYR A 18 4.640 0.274 -7.016 1.00 0.33 H new ATOM 0 HD1 TYR A 18 5.140 -3.161 -5.729 1.00 0.32 H new ATOM 0 HD2 TYR A 18 6.963 0.664 -6.421 1.00 0.34 H new ATOM 0 HE1 TYR A 18 7.375 -4.149 -5.316 1.00 0.42 H new ATOM 0 HE2 TYR A 18 9.199 -0.325 -6.014 1.00 0.47 H new ATOM 0 HH TYR A 18 9.569 -3.706 -4.936 1.00 0.69 H new ATOM 231 N CYS A 19 2.641 -1.915 -3.968 1.00 0.28 N ATOM 232 CA CYS A 19 2.440 -3.052 -3.016 1.00 0.23 C ATOM 233 C CYS A 19 2.815 -4.381 -3.682 1.00 0.19 C ATOM 234 O CYS A 19 3.069 -4.440 -4.868 1.00 0.27 O ATOM 235 CB CYS A 19 0.955 -3.010 -2.663 1.00 0.28 C ATOM 236 SG CYS A 19 0.565 -1.399 -1.932 1.00 0.29 S ATOM 0 H CYS A 19 1.831 -1.686 -4.545 1.00 0.28 H new ATOM 0 HA CYS A 19 3.067 -2.968 -2.129 1.00 0.23 H new ATOM 0 HB2 CYS A 19 0.351 -3.174 -3.556 1.00 0.28 H new ATOM 0 HB3 CYS A 19 0.712 -3.809 -1.963 1.00 0.28 H new ATOM 241 N CYS A 20 2.875 -5.446 -2.926 1.00 0.20 N ATOM 242 CA CYS A 20 3.265 -6.767 -3.526 1.00 0.23 C ATOM 243 C CYS A 20 2.056 -7.574 -4.005 1.00 0.22 C ATOM 244 O CYS A 20 2.061 -8.119 -5.088 1.00 0.34 O ATOM 245 CB CYS A 20 3.985 -7.525 -2.411 1.00 0.33 C ATOM 246 SG CYS A 20 5.075 -8.770 -3.151 1.00 0.48 S ATOM 0 H CYS A 20 2.673 -5.464 -1.926 1.00 0.20 H new ATOM 0 HA CYS A 20 3.889 -6.612 -4.406 1.00 0.23 H new ATOM 0 HB2 CYS A 20 4.564 -6.834 -1.799 1.00 0.33 H new ATOM 0 HB3 CYS A 20 3.260 -8.003 -1.752 1.00 0.33 H new ATOM 251 N SER A 21 1.039 -7.688 -3.198 1.00 0.22 N ATOM 252 CA SER A 21 -0.152 -8.508 -3.600 1.00 0.30 C ATOM 253 C SER A 21 -1.185 -7.687 -4.386 1.00 0.30 C ATOM 254 O SER A 21 -2.272 -8.161 -4.631 1.00 0.39 O ATOM 255 CB SER A 21 -0.763 -9.019 -2.288 1.00 0.37 C ATOM 256 OG SER A 21 0.007 -8.565 -1.177 1.00 0.47 O ATOM 0 H SER A 21 0.975 -7.252 -2.278 1.00 0.22 H new ATOM 0 HA SER A 21 0.149 -9.319 -4.263 1.00 0.30 H new ATOM 0 HB2 SER A 21 -1.791 -8.667 -2.196 1.00 0.37 H new ATOM 0 HB3 SER A 21 -0.798 -10.108 -2.295 1.00 0.37 H new ATOM 0 HG SER A 21 -0.541 -7.974 -0.619 1.00 0.47 H new ATOM 262 N SER A 22 -0.846 -6.476 -4.787 1.00 0.27 N ATOM 263 CA SER A 22 -1.784 -5.594 -5.577 1.00 0.29 C ATOM 264 C SER A 22 -2.752 -4.814 -4.672 1.00 0.26 C ATOM 265 O SER A 22 -3.497 -3.982 -5.153 1.00 0.31 O ATOM 266 CB SER A 22 -2.565 -6.505 -6.540 1.00 0.36 C ATOM 267 OG SER A 22 -3.361 -5.703 -7.415 1.00 0.42 O ATOM 0 H SER A 22 0.062 -6.052 -4.596 1.00 0.27 H new ATOM 0 HA SER A 22 -1.207 -4.846 -6.120 1.00 0.29 H new ATOM 0 HB2 SER A 22 -1.874 -7.118 -7.119 1.00 0.36 H new ATOM 0 HB3 SER A 22 -3.201 -7.188 -5.976 1.00 0.36 H new ATOM 0 HG SER A 22 -3.744 -6.268 -8.118 1.00 0.42 H new ATOM 273 N TYR A 23 -2.762 -5.037 -3.374 1.00 0.22 N ATOM 274 CA TYR A 23 -3.714 -4.244 -2.527 1.00 0.21 C ATOM 275 C TYR A 23 -3.014 -3.028 -1.919 1.00 0.20 C ATOM 276 O TYR A 23 -1.848 -3.070 -1.574 1.00 0.22 O ATOM 277 CB TYR A 23 -4.191 -5.168 -1.417 1.00 0.23 C ATOM 278 CG TYR A 23 -5.439 -4.597 -0.786 1.00 0.25 C ATOM 279 CD1 TYR A 23 -5.338 -3.567 0.155 1.00 0.24 C ATOM 280 CD2 TYR A 23 -6.695 -5.101 -1.134 1.00 0.37 C ATOM 281 CE1 TYR A 23 -6.489 -3.041 0.747 1.00 0.27 C ATOM 282 CE2 TYR A 23 -7.849 -4.575 -0.541 1.00 0.42 C ATOM 283 CZ TYR A 23 -7.747 -3.544 0.399 1.00 0.34 C ATOM 284 OH TYR A 23 -8.883 -3.025 0.987 1.00 0.42 O ATOM 0 H TYR A 23 -2.175 -5.709 -2.880 1.00 0.22 H new ATOM 0 HA TYR A 23 -4.546 -3.880 -3.129 1.00 0.21 H new ATOM 0 HB2 TYR A 23 -4.395 -6.161 -1.819 1.00 0.23 H new ATOM 0 HB3 TYR A 23 -3.411 -5.283 -0.665 1.00 0.23 H new ATOM 0 HD1 TYR A 23 -4.368 -3.177 0.425 1.00 0.24 H new ATOM 0 HD2 TYR A 23 -6.776 -5.896 -1.860 1.00 0.37 H new ATOM 0 HE1 TYR A 23 -6.407 -2.246 1.473 1.00 0.27 H new ATOM 0 HE2 TYR A 23 -8.819 -4.966 -0.810 1.00 0.42 H new ATOM 0 HH TYR A 23 -9.673 -3.485 0.634 1.00 0.42 H new ATOM 294 N CYS A 24 -3.738 -1.957 -1.771 1.00 0.19 N ATOM 295 CA CYS A 24 -3.159 -0.714 -1.171 1.00 0.20 C ATOM 296 C CYS A 24 -4.254 0.091 -0.460 1.00 0.18 C ATOM 297 O CYS A 24 -5.149 0.623 -1.087 1.00 0.23 O ATOM 298 CB CYS A 24 -2.590 0.080 -2.351 1.00 0.25 C ATOM 299 SG CYS A 24 -2.114 1.734 -1.789 1.00 0.29 S ATOM 0 H CYS A 24 -4.719 -1.884 -2.042 1.00 0.19 H new ATOM 0 HA CYS A 24 -2.393 -0.937 -0.428 1.00 0.20 H new ATOM 0 HB2 CYS A 24 -1.726 -0.437 -2.769 1.00 0.25 H new ATOM 0 HB3 CYS A 24 -3.332 0.154 -3.146 1.00 0.25 H new ATOM 304 N PHE A 25 -4.190 0.177 0.841 1.00 0.19 N ATOM 305 CA PHE A 25 -5.221 0.938 1.607 1.00 0.19 C ATOM 306 C PHE A 25 -4.694 2.334 1.970 1.00 0.18 C ATOM 307 O PHE A 25 -4.151 2.543 3.039 1.00 0.27 O ATOM 308 CB PHE A 25 -5.444 0.104 2.868 1.00 0.23 C ATOM 309 CG PHE A 25 -6.866 0.273 3.354 1.00 0.28 C ATOM 310 CD1 PHE A 25 -7.900 -0.486 2.791 1.00 0.46 C ATOM 311 CD2 PHE A 25 -7.146 1.192 4.370 1.00 0.43 C ATOM 312 CE1 PHE A 25 -9.214 -0.324 3.246 1.00 0.51 C ATOM 313 CE2 PHE A 25 -8.459 1.353 4.826 1.00 0.49 C ATOM 314 CZ PHE A 25 -9.494 0.596 4.263 1.00 0.44 C ATOM 0 H PHE A 25 -3.461 -0.251 1.412 1.00 0.19 H new ATOM 0 HA PHE A 25 -6.139 1.089 1.040 1.00 0.19 H new ATOM 0 HB2 PHE A 25 -5.245 -0.947 2.659 1.00 0.23 H new ATOM 0 HB3 PHE A 25 -4.746 0.412 3.646 1.00 0.23 H new ATOM 0 HD1 PHE A 25 -7.684 -1.196 2.006 1.00 0.46 H new ATOM 0 HD2 PHE A 25 -6.349 1.778 4.803 1.00 0.43 H new ATOM 0 HE1 PHE A 25 -10.012 -0.909 2.812 1.00 0.51 H new ATOM 0 HE2 PHE A 25 -8.674 2.061 5.612 1.00 0.49 H new ATOM 0 HZ PHE A 25 -10.508 0.722 4.613 1.00 0.44 H new ATOM 324 N GLN A 26 -4.851 3.285 1.087 1.00 0.17 N ATOM 325 CA GLN A 26 -4.363 4.672 1.366 1.00 0.18 C ATOM 326 C GLN A 26 -5.539 5.660 1.345 1.00 0.23 C ATOM 327 O GLN A 26 -6.507 5.468 0.634 1.00 0.30 O ATOM 328 CB GLN A 26 -3.368 4.964 0.238 1.00 0.20 C ATOM 329 CG GLN A 26 -2.964 6.444 0.277 1.00 0.22 C ATOM 330 CD GLN A 26 -3.418 7.166 -0.998 1.00 0.28 C ATOM 331 OE1 GLN A 26 -2.681 7.953 -1.554 1.00 0.32 O ATOM 332 NE2 GLN A 26 -4.604 6.938 -1.490 1.00 0.43 N ATOM 0 H GLN A 26 -5.299 3.162 0.179 1.00 0.17 H new ATOM 0 HA GLN A 26 -3.899 4.770 2.348 1.00 0.18 H new ATOM 0 HB2 GLN A 26 -2.486 4.333 0.345 1.00 0.20 H new ATOM 0 HB3 GLN A 26 -3.816 4.724 -0.726 1.00 0.20 H new ATOM 0 HG2 GLN A 26 -3.407 6.924 1.150 1.00 0.22 H new ATOM 0 HG3 GLN A 26 -1.882 6.528 0.382 1.00 0.22 H new ATOM 0 HE21 GLN A 26 -5.229 6.278 -1.028 1.00 0.43 H new ATOM 0 HE22 GLN A 26 -4.906 7.420 -2.337 1.00 0.43 H new ATOM 341 N ILE A 27 -5.461 6.716 2.115 1.00 0.26 N ATOM 342 CA ILE A 27 -6.586 7.714 2.132 1.00 0.34 C ATOM 343 C ILE A 27 -6.169 9.026 1.449 1.00 0.36 C ATOM 344 O ILE A 27 -5.001 9.274 1.208 1.00 0.33 O ATOM 345 CB ILE A 27 -6.955 7.975 3.606 1.00 0.40 C ATOM 346 CG1 ILE A 27 -5.912 7.384 4.568 1.00 0.43 C ATOM 347 CG2 ILE A 27 -8.318 7.341 3.896 1.00 0.54 C ATOM 348 CD1 ILE A 27 -6.342 7.644 6.013 1.00 0.55 C ATOM 0 H ILE A 27 -4.676 6.934 2.729 1.00 0.26 H new ATOM 0 HA ILE A 27 -7.441 7.320 1.583 1.00 0.34 H new ATOM 0 HB ILE A 27 -6.986 9.053 3.763 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -5.809 6.313 4.396 1.00 0.43 H new ATOM 0 HG13 ILE A 27 -4.936 7.832 4.382 1.00 0.43 H new ATOM 0 HG21 ILE A 27 -8.588 7.520 4.937 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -9.071 7.783 3.244 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -8.266 6.268 3.714 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -5.602 7.224 6.694 1.00 0.55 H new ATOM 0 HD12 ILE A 27 -6.422 8.718 6.181 1.00 0.55 H new ATOM 0 HD13 ILE A 27 -7.309 7.175 6.195 1.00 0.55 H new ATOM 360 N ALA A 28 -7.127 9.864 1.133 1.00 0.44 N ATOM 361 CA ALA A 28 -6.813 11.164 0.460 1.00 0.49 C ATOM 362 C ALA A 28 -6.516 12.261 1.494 1.00 0.52 C ATOM 363 O ALA A 28 -7.274 12.482 2.420 1.00 0.69 O ATOM 364 CB ALA A 28 -8.074 11.504 -0.341 1.00 0.63 C ATOM 0 H ALA A 28 -8.118 9.702 1.313 1.00 0.44 H new ATOM 0 HA ALA A 28 -5.928 11.093 -0.172 1.00 0.49 H new ATOM 0 HB1 ALA A 28 -7.928 12.447 -0.867 1.00 0.63 H new ATOM 0 HB2 ALA A 28 -8.271 10.712 -1.064 1.00 0.63 H new ATOM 0 HB3 ALA A 28 -8.922 11.595 0.337 1.00 0.63 H new ATOM 370 N GLY A 29 -5.413 12.949 1.335 1.00 0.55 N ATOM 371 CA GLY A 29 -5.049 14.039 2.295 1.00 0.59 C ATOM 372 C GLY A 29 -3.526 14.140 2.381 1.00 0.47 C ATOM 373 O GLY A 29 -2.950 15.185 2.160 1.00 0.50 O ATOM 0 H GLY A 29 -4.745 12.803 0.578 1.00 0.55 H new ATOM 0 HA2 GLY A 29 -5.471 14.988 1.964 1.00 0.59 H new ATOM 0 HA3 GLY A 29 -5.468 13.829 3.279 1.00 0.59 H new ATOM 377 N GLN A 30 -2.876 13.052 2.697 1.00 0.45 N ATOM 378 CA GLN A 30 -1.384 13.062 2.797 1.00 0.41 C ATOM 379 C GLN A 30 -0.750 12.021 1.853 1.00 0.36 C ATOM 380 O GLN A 30 0.456 11.880 1.810 1.00 0.45 O ATOM 381 CB GLN A 30 -1.106 12.707 4.258 1.00 0.54 C ATOM 382 CG GLN A 30 -0.844 13.990 5.055 1.00 0.62 C ATOM 383 CD GLN A 30 -1.720 14.016 6.314 1.00 0.80 C ATOM 384 OE1 GLN A 30 -2.257 13.005 6.724 1.00 1.09 O ATOM 385 NE2 GLN A 30 -1.891 15.140 6.946 1.00 1.36 N ATOM 0 H GLN A 30 -3.315 12.152 2.891 1.00 0.45 H new ATOM 0 HA GLN A 30 -0.959 14.023 2.507 1.00 0.41 H new ATOM 0 HB2 GLN A 30 -1.955 12.171 4.681 1.00 0.54 H new ATOM 0 HB3 GLN A 30 -0.244 12.043 4.324 1.00 0.54 H new ATOM 0 HG2 GLN A 30 0.208 14.046 5.333 1.00 0.62 H new ATOM 0 HG3 GLN A 30 -1.057 14.862 4.436 1.00 0.62 H new ATOM 0 HE21 GLN A 30 -1.442 15.990 6.605 1.00 1.36 H new ATOM 0 HE22 GLN A 30 -2.474 15.171 7.782 1.00 1.36 H new ATOM 394 N SER A 31 -1.551 11.285 1.104 1.00 0.29 N ATOM 395 CA SER A 31 -1.000 10.247 0.171 1.00 0.27 C ATOM 396 C SER A 31 -0.278 9.155 0.967 1.00 0.25 C ATOM 397 O SER A 31 0.873 8.847 0.727 1.00 0.32 O ATOM 398 CB SER A 31 -0.034 10.982 -0.763 1.00 0.35 C ATOM 399 OG SER A 31 -0.212 10.500 -2.094 1.00 0.36 O ATOM 0 H SER A 31 -2.568 11.363 1.102 1.00 0.29 H new ATOM 0 HA SER A 31 -1.788 9.755 -0.399 1.00 0.27 H new ATOM 0 HB2 SER A 31 -0.218 12.056 -0.724 1.00 0.35 H new ATOM 0 HB3 SER A 31 0.995 10.823 -0.440 1.00 0.35 H new ATOM 0 HG SER A 31 0.202 11.124 -2.726 1.00 0.36 H new ATOM 405 N TYR A 32 -0.956 8.568 1.915 1.00 0.23 N ATOM 406 CA TYR A 32 -0.324 7.489 2.736 1.00 0.25 C ATOM 407 C TYR A 32 -1.320 6.345 2.986 1.00 0.21 C ATOM 408 O TYR A 32 -2.493 6.570 3.237 1.00 0.23 O ATOM 409 CB TYR A 32 0.099 8.169 4.046 1.00 0.32 C ATOM 410 CG TYR A 32 -1.112 8.507 4.886 1.00 0.31 C ATOM 411 CD1 TYR A 32 -1.846 9.667 4.617 1.00 0.38 C ATOM 412 CD2 TYR A 32 -1.489 7.668 5.938 1.00 0.40 C ATOM 413 CE1 TYR A 32 -2.960 9.988 5.402 1.00 0.43 C ATOM 414 CE2 TYR A 32 -2.605 7.987 6.722 1.00 0.47 C ATOM 415 CZ TYR A 32 -3.339 9.147 6.454 1.00 0.44 C ATOM 416 OH TYR A 32 -4.432 9.464 7.230 1.00 0.55 O ATOM 0 H TYR A 32 -1.922 8.787 2.159 1.00 0.23 H new ATOM 0 HA TYR A 32 0.531 7.037 2.234 1.00 0.25 H new ATOM 0 HB2 TYR A 32 0.764 7.511 4.605 1.00 0.32 H new ATOM 0 HB3 TYR A 32 0.660 9.077 3.826 1.00 0.32 H new ATOM 0 HD1 TYR A 32 -1.553 10.315 3.804 1.00 0.38 H new ATOM 0 HD2 TYR A 32 -0.920 6.774 6.146 1.00 0.40 H new ATOM 0 HE1 TYR A 32 -3.526 10.884 5.196 1.00 0.43 H new ATOM 0 HE2 TYR A 32 -2.899 7.337 7.533 1.00 0.47 H new ATOM 0 HH TYR A 32 -4.558 8.775 7.915 1.00 0.55 H new ATOM 426 N GLY A 33 -0.865 5.119 2.900 1.00 0.22 N ATOM 427 CA GLY A 33 -1.785 3.960 3.117 1.00 0.22 C ATOM 428 C GLY A 33 -0.999 2.694 3.463 1.00 0.22 C ATOM 429 O GLY A 33 0.182 2.744 3.779 1.00 0.26 O ATOM 0 H GLY A 33 0.102 4.871 2.689 1.00 0.22 H new ATOM 0 HA2 GLY A 33 -2.483 4.191 3.922 1.00 0.22 H new ATOM 0 HA3 GLY A 33 -2.379 3.790 2.219 1.00 0.22 H new ATOM 433 N VAL A 34 -1.648 1.557 3.404 1.00 0.21 N ATOM 434 CA VAL A 34 -0.952 0.270 3.729 1.00 0.23 C ATOM 435 C VAL A 34 -1.253 -0.782 2.656 1.00 0.21 C ATOM 436 O VAL A 34 -2.343 -0.839 2.123 1.00 0.27 O ATOM 437 CB VAL A 34 -1.505 -0.172 5.100 1.00 0.26 C ATOM 438 CG1 VAL A 34 -1.373 0.969 6.111 1.00 0.35 C ATOM 439 CG2 VAL A 34 -2.984 -0.553 4.980 1.00 0.33 C ATOM 0 H VAL A 34 -2.630 1.463 3.145 1.00 0.21 H new ATOM 0 HA VAL A 34 0.131 0.391 3.759 1.00 0.23 H new ATOM 0 HB VAL A 34 -0.931 -1.035 5.437 1.00 0.26 H new ATOM 0 HG11 VAL A 34 -1.766 0.648 7.076 1.00 0.35 H new ATOM 0 HG12 VAL A 34 -0.323 1.240 6.219 1.00 0.35 H new ATOM 0 HG13 VAL A 34 -1.936 1.833 5.760 1.00 0.35 H new ATOM 0 HG21 VAL A 34 -3.360 -0.863 5.955 1.00 0.33 H new ATOM 0 HG22 VAL A 34 -3.554 0.307 4.628 1.00 0.33 H new ATOM 0 HG23 VAL A 34 -3.092 -1.375 4.272 1.00 0.33 H new ATOM 449 N CYS A 35 -0.305 -1.616 2.327 1.00 0.22 N ATOM 450 CA CYS A 35 -0.565 -2.655 1.282 1.00 0.24 C ATOM 451 C CYS A 35 -1.136 -3.926 1.910 1.00 0.22 C ATOM 452 O CYS A 35 -0.955 -4.198 3.084 1.00 0.25 O ATOM 453 CB CYS A 35 0.778 -2.959 0.640 1.00 0.30 C ATOM 454 SG CYS A 35 1.448 -1.457 -0.114 1.00 0.31 S ATOM 0 H CYS A 35 0.632 -1.626 2.731 1.00 0.22 H new ATOM 0 HA CYS A 35 -1.292 -2.297 0.553 1.00 0.24 H new ATOM 0 HB2 CYS A 35 1.471 -3.342 1.389 1.00 0.30 H new ATOM 0 HB3 CYS A 35 0.663 -3.736 -0.115 1.00 0.30 H new ATOM 459 N LYS A 36 -1.823 -4.696 1.118 1.00 0.22 N ATOM 460 CA LYS A 36 -2.443 -5.964 1.617 1.00 0.24 C ATOM 461 C LYS A 36 -2.557 -7.009 0.490 1.00 0.24 C ATOM 462 O LYS A 36 -1.960 -6.868 -0.571 1.00 0.26 O ATOM 463 CB LYS A 36 -3.820 -5.530 2.110 1.00 0.26 C ATOM 464 CG LYS A 36 -3.831 -5.455 3.643 1.00 0.32 C ATOM 465 CD LYS A 36 -3.637 -6.851 4.247 1.00 0.43 C ATOM 466 CE LYS A 36 -4.845 -7.730 3.919 1.00 0.48 C ATOM 467 NZ LYS A 36 -5.815 -7.507 5.038 1.00 0.67 N ATOM 0 H LYS A 36 -1.987 -4.502 0.130 1.00 0.22 H new ATOM 0 HA LYS A 36 -1.851 -6.441 2.398 1.00 0.24 H new ATOM 0 HB2 LYS A 36 -4.076 -4.558 1.689 1.00 0.26 H new ATOM 0 HB3 LYS A 36 -4.577 -6.236 1.767 1.00 0.26 H new ATOM 0 HG2 LYS A 36 -3.039 -4.790 3.987 1.00 0.32 H new ATOM 0 HG3 LYS A 36 -4.775 -5.031 3.986 1.00 0.32 H new ATOM 0 HD2 LYS A 36 -2.728 -7.305 3.853 1.00 0.43 H new ATOM 0 HD3 LYS A 36 -3.513 -6.776 5.327 1.00 0.43 H new ATOM 0 HE2 LYS A 36 -5.282 -7.454 2.959 1.00 0.48 H new ATOM 0 HE3 LYS A 36 -4.560 -8.780 3.850 1.00 0.48 H new ATOM 0 HZ1 LYS A 36 -6.668 -8.080 4.877 1.00 0.67 H new ATOM 0 HZ2 LYS A 36 -5.376 -7.785 5.939 1.00 0.67 H new ATOM 0 HZ3 LYS A 36 -6.076 -6.501 5.076 1.00 0.67 H new ATOM 481 N ASN A 37 -3.310 -8.057 0.723 1.00 0.27 N ATOM 482 CA ASN A 37 -3.477 -9.137 -0.305 1.00 0.30 C ATOM 483 C ASN A 37 -4.274 -8.634 -1.525 1.00 0.29 C ATOM 484 O ASN A 37 -3.705 -8.145 -2.478 1.00 0.36 O ATOM 485 CB ASN A 37 -4.227 -10.264 0.421 1.00 0.38 C ATOM 486 CG ASN A 37 -3.388 -10.776 1.592 1.00 0.57 C ATOM 487 OD1 ASN A 37 -3.305 -10.133 2.621 1.00 0.74 O ATOM 488 ND2 ASN A 37 -2.758 -11.909 1.485 1.00 0.81 N ATOM 0 H ASN A 37 -3.822 -8.213 1.591 1.00 0.27 H new ATOM 0 HA ASN A 37 -2.517 -9.472 -0.698 1.00 0.30 H new ATOM 0 HB2 ASN A 37 -5.188 -9.899 0.783 1.00 0.38 H new ATOM 0 HB3 ASN A 37 -4.436 -11.079 -0.272 1.00 0.38 H new ATOM 0 HD21 ASN A 37 -2.196 -12.256 2.263 1.00 0.81 H new ATOM 0 HD22 ASN A 37 -2.826 -12.451 0.623 1.00 0.81 H new ATOM 495 N ARG A 38 -5.579 -8.748 -1.518 1.00 0.37 N ATOM 496 CA ARG A 38 -6.369 -8.281 -2.687 1.00 0.41 C ATOM 497 C ARG A 38 -7.779 -7.842 -2.278 1.00 0.50 C ATOM 498 CB ARG A 38 -6.422 -9.484 -3.635 1.00 0.48 C ATOM 499 CG ARG A 38 -6.763 -9.014 -5.054 1.00 0.51 C ATOM 500 CD ARG A 38 -5.508 -8.450 -5.731 1.00 0.55 C ATOM 501 NE ARG A 38 -5.351 -7.070 -5.179 1.00 0.42 N ATOM 502 CZ ARG A 38 -6.074 -6.092 -5.635 1.00 0.43 C ATOM 503 NH1 ARG A 38 -7.231 -5.831 -5.102 1.00 0.48 N ATOM 504 NH2 ARG A 38 -5.628 -5.366 -6.613 1.00 0.48 N ATOM 0 H ARG A 38 -6.126 -9.144 -0.753 1.00 0.37 H new ATOM 0 HA ARG A 38 -5.914 -7.408 -3.154 1.00 0.41 H new ATOM 0 HB2 ARG A 38 -5.463 -10.001 -3.634 1.00 0.48 H new ATOM 0 HB3 ARG A 38 -7.169 -10.198 -3.289 1.00 0.48 H new ATOM 0 HG2 ARG A 38 -7.159 -9.846 -5.637 1.00 0.51 H new ATOM 0 HG3 ARG A 38 -7.541 -8.252 -5.017 1.00 0.51 H new ATOM 0 HD2 ARG A 38 -4.634 -9.063 -5.513 1.00 0.55 H new ATOM 0 HD3 ARG A 38 -5.621 -8.430 -6.815 1.00 0.55 H new ATOM 0 HE ARG A 38 -4.671 -6.895 -4.439 1.00 0.42 H new ATOM 0 HH11 ARG A 38 -7.573 -6.395 -4.324 1.00 0.48 H new ATOM 0 HH12 ARG A 38 -7.797 -5.062 -5.462 1.00 0.48 H new ATOM 0 HH21 ARG A 38 -4.714 -5.564 -7.020 1.00 0.48 H new ATOM 0 HH22 ARG A 38 -6.191 -4.597 -6.975 1.00 0.48 H new TER 518 ARG A 38