USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 242 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 8 TYR OH : rot 120:sc= 0.0012 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.69! K(o=-2.7!,f=0.6) USER MOD Set 2.1: A 2 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 4 GLN : amide:sc= -3.58! C(o=-3.6!,f=-1.8!) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.125 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.9! K(o=-2.9!,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0216 (180deg=-0.246) USER MOD Single : A 10 TYR OH : rot -126:sc= 1.22 USER MOD Single : A 14 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.016) USER MOD Single : A 16 ASN : amide:sc= -0.97 K(o=-0.97,f=-0.016) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.07 K(o=-2.1,f=-3.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 26 MET CE :methyl 142:sc= -0.297 (180deg=-1.37) USER MOD Single : A 28 SER OG : rot -89:sc= -2.11! USER MOD Single : A 33 SER OG : rot 1:sc= -0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.642 2.973 2.065 1.00 0.00 N ATOM 2 CA ALA A 1 -16.407 2.576 1.353 1.00 0.00 C ATOM 3 C ALA A 1 -15.487 3.775 1.202 1.00 0.00 C ATOM 4 O ALA A 1 -15.885 4.907 1.478 1.00 0.00 O ATOM 5 CB ALA A 1 -16.740 1.985 -0.007 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.594 2.648 3.052 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.736 4.009 2.046 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.466 2.542 1.598 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.896 1.812 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.819 1.699 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.371 1.105 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.270 2.726 -0.606 1.00 0.00 H new ATOM 10 N SER A 2 -14.269 3.535 0.745 1.00 0.00 N ATOM 11 CA SER A 2 -13.281 4.596 0.644 1.00 0.00 C ATOM 12 C SER A 2 -12.147 4.190 -0.299 1.00 0.00 C ATOM 13 O SER A 2 -11.055 3.828 0.148 1.00 0.00 O ATOM 14 CB SER A 2 -12.721 4.928 2.036 1.00 0.00 C ATOM 15 OG SER A 2 -11.926 6.100 1.998 1.00 0.00 O ATOM 0 H SER A 2 -13.942 2.619 0.439 1.00 0.00 H new ATOM 0 HA SER A 2 -13.766 5.483 0.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.543 5.064 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.125 4.092 2.401 1.00 0.00 H new ATOM 0 HG SER A 2 -11.848 6.472 2.901 1.00 0.00 H new ATOM 21 N PRO A 3 -12.391 4.233 -1.627 1.00 0.00 N ATOM 22 CA PRO A 3 -11.354 3.941 -2.627 1.00 0.00 C ATOM 23 C PRO A 3 -10.126 4.836 -2.463 1.00 0.00 C ATOM 24 O PRO A 3 -9.015 4.464 -2.843 1.00 0.00 O ATOM 25 CB PRO A 3 -12.051 4.220 -3.961 1.00 0.00 C ATOM 26 CG PRO A 3 -13.494 4.012 -3.675 1.00 0.00 C ATOM 27 CD PRO A 3 -13.696 4.517 -2.263 1.00 0.00 C ATOM 0 HA PRO A 3 -10.977 2.922 -2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.857 5.236 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.699 3.545 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.118 4.559 -4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.764 2.959 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.933 5.581 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.513 3.999 -1.760 1.00 0.00 H new ATOM 35 N GLN A 4 -10.338 6.011 -1.879 1.00 0.00 N ATOM 36 CA GLN A 4 -9.265 6.970 -1.654 1.00 0.00 C ATOM 37 C GLN A 4 -8.273 6.436 -0.631 1.00 0.00 C ATOM 38 O GLN A 4 -7.061 6.556 -0.806 1.00 0.00 O ATOM 39 CB GLN A 4 -9.820 8.320 -1.171 1.00 0.00 C ATOM 40 CG GLN A 4 -10.887 8.926 -2.086 1.00 0.00 C ATOM 41 CD GLN A 4 -12.256 8.287 -1.914 1.00 0.00 C ATOM 42 OE1 GLN A 4 -13.022 8.176 -2.868 1.00 0.00 O ATOM 43 NE2 GLN A 4 -12.583 7.880 -0.693 1.00 0.00 N ATOM 0 H GLN A 4 -11.252 6.323 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.755 7.120 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.243 8.190 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.995 9.026 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.964 9.995 -1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.571 8.818 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.921 7.988 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.496 7.459 -0.523 1.00 0.00 H new ATOM 52 N GLN A 5 -8.791 5.840 0.435 1.00 0.00 N ATOM 53 CA GLN A 5 -7.937 5.268 1.471 1.00 0.00 C ATOM 54 C GLN A 5 -7.148 4.091 0.921 1.00 0.00 C ATOM 55 O GLN A 5 -5.988 3.883 1.284 1.00 0.00 O ATOM 56 CB GLN A 5 -8.747 4.824 2.692 1.00 0.00 C ATOM 57 CG GLN A 5 -9.230 5.976 3.573 1.00 0.00 C ATOM 58 CD GLN A 5 -8.168 6.480 4.542 1.00 0.00 C ATOM 59 OE1 GLN A 5 -8.492 6.984 5.617 1.00 0.00 O ATOM 60 NE2 GLN A 5 -6.899 6.336 4.188 1.00 0.00 N ATOM 0 H GLN A 5 -9.792 5.740 0.606 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.246 6.049 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.611 4.253 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.137 4.151 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.552 6.800 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.103 5.650 4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.665 5.914 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.156 6.647 4.814 1.00 0.00 H new ATOM 69 N ALA A 6 -7.784 3.332 0.046 1.00 0.00 N ATOM 70 CA ALA A 6 -7.120 2.227 -0.627 1.00 0.00 C ATOM 71 C ALA A 6 -5.971 2.743 -1.479 1.00 0.00 C ATOM 72 O ALA A 6 -4.852 2.240 -1.393 1.00 0.00 O ATOM 73 CB ALA A 6 -8.104 1.438 -1.479 1.00 0.00 C ATOM 0 H ALA A 6 -8.761 3.460 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.719 1.556 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.582 0.617 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.894 1.037 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.541 2.094 -2.232 1.00 0.00 H new ATOM 79 N LYS A 7 -6.244 3.777 -2.267 1.00 0.00 N ATOM 80 CA LYS A 7 -5.234 4.353 -3.145 1.00 0.00 C ATOM 81 C LYS A 7 -4.092 4.942 -2.322 1.00 0.00 C ATOM 82 O LYS A 7 -2.932 4.895 -2.726 1.00 0.00 O ATOM 83 CB LYS A 7 -5.852 5.431 -4.042 1.00 0.00 C ATOM 84 CG LYS A 7 -4.895 5.971 -5.094 1.00 0.00 C ATOM 85 CD LYS A 7 -4.438 4.864 -6.044 1.00 0.00 C ATOM 86 CE LYS A 7 -3.433 5.378 -7.070 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.199 5.901 -6.427 1.00 0.00 N ATOM 0 H LYS A 7 -7.155 4.233 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.837 3.561 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.730 5.018 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.197 6.256 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.383 6.763 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.028 6.417 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.989 4.054 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.303 4.447 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.171 4.572 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.894 6.166 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.456 6.018 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.401 6.820 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.876 5.231 -5.700 1.00 0.00 H new ATOM 101 N TYR A 8 -4.435 5.488 -1.162 1.00 0.00 N ATOM 102 CA TYR A 8 -3.446 6.031 -0.243 1.00 0.00 C ATOM 103 C TYR A 8 -2.534 4.922 0.271 1.00 0.00 C ATOM 104 O TYR A 8 -1.317 5.085 0.328 1.00 0.00 O ATOM 105 CB TYR A 8 -4.149 6.727 0.927 1.00 0.00 C ATOM 106 CG TYR A 8 -3.214 7.395 1.907 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.887 6.783 3.111 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.666 8.638 1.632 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.040 7.392 4.013 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.815 9.255 2.527 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.507 8.629 3.717 1.00 0.00 C ATOM 112 OH TYR A 8 -0.659 9.240 4.611 1.00 0.00 O ATOM 0 H TYR A 8 -5.398 5.566 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.835 6.761 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.835 7.475 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.752 5.993 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.303 5.814 3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.909 9.132 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.796 6.904 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.393 10.222 2.297 1.00 0.00 H new ATOM 0 HH TYR A 8 0.209 9.396 4.184 1.00 0.00 H new ATOM 122 N CYS A 9 -3.132 3.790 0.622 1.00 0.00 N ATOM 123 CA CYS A 9 -2.376 2.655 1.143 1.00 0.00 C ATOM 124 C CYS A 9 -1.427 2.114 0.076 1.00 0.00 C ATOM 125 O CYS A 9 -0.233 1.949 0.325 1.00 0.00 O ATOM 126 CB CYS A 9 -3.329 1.549 1.628 1.00 0.00 C ATOM 127 SG CYS A 9 -2.503 0.162 2.480 1.00 0.00 S ATOM 0 H CYS A 9 -4.138 3.632 0.556 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.784 2.994 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.063 1.989 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.878 1.158 0.771 1.00 0.00 H new ATOM 132 N TYR A 10 -1.957 1.882 -1.121 1.00 0.00 N ATOM 133 CA TYR A 10 -1.163 1.344 -2.223 1.00 0.00 C ATOM 134 C TYR A 10 -0.112 2.339 -2.699 1.00 0.00 C ATOM 135 O TYR A 10 0.884 1.957 -3.312 1.00 0.00 O ATOM 136 CB TYR A 10 -2.058 0.946 -3.401 1.00 0.00 C ATOM 137 CG TYR A 10 -2.836 -0.326 -3.180 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.234 -1.558 -3.365 1.00 0.00 C ATOM 139 CD2 TYR A 10 -4.172 -0.298 -2.805 1.00 0.00 C ATOM 140 CE1 TYR A 10 -2.935 -2.728 -3.182 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.881 -1.465 -2.617 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.261 -2.678 -2.807 1.00 0.00 C ATOM 143 OH TYR A 10 -4.967 -3.845 -2.620 1.00 0.00 O ATOM 0 H TYR A 10 -2.934 2.058 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.654 0.458 -1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.758 1.757 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.439 0.831 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.196 -1.602 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.663 0.652 -2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.449 -3.681 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.919 -1.427 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.780 -3.826 -3.166 1.00 0.00 H new ATOM 153 N GLU A 11 -0.343 3.616 -2.446 1.00 0.00 N ATOM 154 CA GLU A 11 0.627 4.632 -2.803 1.00 0.00 C ATOM 155 C GLU A 11 1.718 4.735 -1.738 1.00 0.00 C ATOM 156 O GLU A 11 2.900 4.592 -2.044 1.00 0.00 O ATOM 157 CB GLU A 11 -0.052 5.993 -3.021 1.00 0.00 C ATOM 158 CG GLU A 11 0.914 7.098 -3.408 1.00 0.00 C ATOM 159 CD GLU A 11 0.205 8.395 -3.723 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.087 9.162 -2.786 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.059 8.653 -4.916 1.00 0.00 O ATOM 0 H GLU A 11 -1.188 3.970 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 11 1.093 4.336 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.807 5.892 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.573 6.280 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.621 7.261 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.494 6.783 -4.276 1.00 0.00 H new ATOM 168 N GLN A 12 1.329 4.931 -0.483 1.00 0.00 N ATOM 169 CA GLN A 12 2.295 5.196 0.572 1.00 0.00 C ATOM 170 C GLN A 12 3.128 3.967 0.899 1.00 0.00 C ATOM 171 O GLN A 12 4.243 4.095 1.399 1.00 0.00 O ATOM 172 CB GLN A 12 1.599 5.722 1.830 1.00 0.00 C ATOM 173 CG GLN A 12 0.948 7.074 1.624 1.00 0.00 C ATOM 174 CD GLN A 12 1.905 8.238 1.809 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.495 9.338 2.177 1.00 0.00 O ATOM 176 NE2 GLN A 12 3.186 8.006 1.587 1.00 0.00 N ATOM 0 H GLN A 12 0.357 4.911 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 12 2.973 5.965 0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.842 5.005 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.327 5.795 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.526 7.116 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.119 7.180 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.492 7.082 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.870 8.751 1.720 1.00 0.00 H new ATOM 185 N CYS A 13 2.609 2.785 0.593 1.00 0.00 N ATOM 186 CA CYS A 13 3.313 1.549 0.903 1.00 0.00 C ATOM 187 C CYS A 13 4.675 1.517 0.206 1.00 0.00 C ATOM 188 O CYS A 13 5.705 1.311 0.847 1.00 0.00 O ATOM 189 CB CYS A 13 2.462 0.331 0.498 1.00 0.00 C ATOM 190 SG CYS A 13 2.199 0.157 -1.297 1.00 0.00 S ATOM 0 H CYS A 13 1.708 2.657 0.133 1.00 0.00 H new ATOM 0 HA CYS A 13 3.482 1.506 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.943 -0.573 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.492 0.402 0.990 1.00 0.00 H new ATOM 195 N ASN A 14 4.685 1.756 -1.100 1.00 0.00 N ATOM 196 CA ASN A 14 5.934 1.761 -1.855 1.00 0.00 C ATOM 197 C ASN A 14 6.681 3.080 -1.675 1.00 0.00 C ATOM 198 O ASN A 14 7.909 3.112 -1.758 1.00 0.00 O ATOM 199 CB ASN A 14 5.692 1.485 -3.346 1.00 0.00 C ATOM 200 CG ASN A 14 4.873 2.567 -4.039 1.00 0.00 C ATOM 201 OD1 ASN A 14 5.436 3.517 -4.588 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.548 2.449 -4.026 1.00 0.00 N ATOM 0 H ASN A 14 3.851 1.947 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 14 6.553 0.956 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.654 1.389 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.180 0.529 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.969 3.156 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.112 1.651 -3.564 1.00 0.00 H new ATOM 209 N VAL A 15 5.945 4.166 -1.432 1.00 0.00 N ATOM 210 CA VAL A 15 6.571 5.460 -1.179 1.00 0.00 C ATOM 211 C VAL A 15 7.448 5.388 0.065 1.00 0.00 C ATOM 212 O VAL A 15 8.560 5.918 0.076 1.00 0.00 O ATOM 213 CB VAL A 15 5.538 6.604 -1.013 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.224 7.890 -0.568 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.778 6.850 -2.310 1.00 0.00 C ATOM 0 H VAL A 15 4.925 4.174 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 15 7.178 5.689 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 15 4.827 6.296 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.481 8.680 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.722 7.725 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.960 8.187 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.061 7.657 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.480 7.127 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.249 5.942 -2.599 1.00 0.00 H new ATOM 225 N ASN A 16 6.959 4.721 1.110 1.00 0.00 N ATOM 226 CA ASN A 16 7.764 4.547 2.309 1.00 0.00 C ATOM 227 C ASN A 16 8.888 3.565 2.014 1.00 0.00 C ATOM 228 O ASN A 16 10.026 3.982 1.797 1.00 0.00 O ATOM 229 CB ASN A 16 6.913 4.037 3.485 1.00 0.00 C ATOM 230 CG ASN A 16 5.800 4.991 3.882 1.00 0.00 C ATOM 231 OD1 ASN A 16 4.741 4.566 4.349 1.00 0.00 O ATOM 232 ND2 ASN A 16 6.024 6.282 3.708 1.00 0.00 N ATOM 0 H ASN A 16 6.030 4.302 1.148 1.00 0.00 H new ATOM 0 HA ASN A 16 8.179 5.514 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.478 3.074 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.560 3.867 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.308 6.963 3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.912 6.598 3.319 1.00 0.00 H new ATOM 239 N LYS A 17 8.552 2.270 1.975 1.00 0.00 N ATOM 240 CA LYS A 17 9.430 1.238 1.420 1.00 0.00 C ATOM 241 C LYS A 17 8.854 -0.158 1.685 1.00 0.00 C ATOM 242 O LYS A 17 9.188 -0.774 2.699 1.00 0.00 O ATOM 243 CB LYS A 17 10.851 1.316 1.992 1.00 0.00 C ATOM 244 CG LYS A 17 11.842 0.426 1.250 1.00 0.00 C ATOM 245 CD LYS A 17 13.280 0.738 1.656 1.00 0.00 C ATOM 246 CE LYS A 17 14.260 -0.200 0.967 1.00 0.00 C ATOM 247 NZ LYS A 17 15.671 0.142 1.280 1.00 0.00 N ATOM 0 H LYS A 17 7.665 1.910 2.327 1.00 0.00 H new ATOM 0 HA LYS A 17 9.487 1.418 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.197 2.349 1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.830 1.029 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.622 -0.621 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.727 0.567 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.518 1.770 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.384 0.647 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.058 -1.226 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.107 -0.156 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.306 -0.521 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.872 1.112 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.825 0.075 2.306 1.00 0.00 H new ATOM 261 N VAL A 18 7.989 -0.665 0.808 1.00 0.00 N ATOM 262 CA VAL A 18 7.534 -2.050 0.930 1.00 0.00 C ATOM 263 C VAL A 18 7.408 -2.672 -0.464 1.00 0.00 C ATOM 264 O VAL A 18 7.093 -1.974 -1.433 1.00 0.00 O ATOM 265 CB VAL A 18 6.171 -2.198 1.687 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.027 -1.178 2.814 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.999 -2.127 0.724 1.00 0.00 C ATOM 0 H VAL A 18 7.595 -0.150 0.020 1.00 0.00 H new ATOM 0 HA VAL A 18 8.283 -2.571 1.526 1.00 0.00 H new ATOM 0 HB VAL A 18 6.166 -3.185 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.067 -1.318 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.833 -1.316 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.078 -0.170 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.066 -2.233 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.009 -1.166 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.080 -2.931 -0.007 1.00 0.00 H new ATOM 277 N PRO A 19 7.707 -3.974 -0.589 1.00 0.00 N ATOM 278 CA PRO A 19 7.486 -4.731 -1.828 1.00 0.00 C ATOM 279 C PRO A 19 6.009 -4.753 -2.230 1.00 0.00 C ATOM 280 O PRO A 19 5.136 -4.665 -1.364 1.00 0.00 O ATOM 281 CB PRO A 19 7.950 -6.150 -1.476 1.00 0.00 C ATOM 282 CG PRO A 19 8.841 -5.991 -0.293 1.00 0.00 C ATOM 283 CD PRO A 19 8.319 -4.800 0.459 1.00 0.00 C ATOM 0 HA PRO A 19 8.018 -4.290 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.102 -6.795 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.482 -6.608 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.825 -6.885 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.875 -5.836 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.591 -5.091 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.119 -4.268 0.973 1.00 0.00 H new ATOM 291 N PHE A 20 5.724 -4.881 -3.524 1.00 0.00 N ATOM 292 CA PHE A 20 4.342 -4.857 -4.011 1.00 0.00 C ATOM 293 C PHE A 20 3.490 -5.926 -3.322 1.00 0.00 C ATOM 294 O PHE A 20 2.366 -5.652 -2.894 1.00 0.00 O ATOM 295 CB PHE A 20 4.290 -5.047 -5.533 1.00 0.00 C ATOM 296 CG PHE A 20 2.931 -4.773 -6.118 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.599 -3.501 -6.554 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.991 -5.785 -6.233 1.00 0.00 C ATOM 299 CE1 PHE A 20 1.353 -3.242 -7.093 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.744 -5.532 -6.770 1.00 0.00 C ATOM 301 CZ PHE A 20 0.425 -4.259 -7.203 1.00 0.00 C ATOM 0 H PHE A 20 6.427 -5.002 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 20 3.930 -3.878 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.020 -4.386 -6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.584 -6.068 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.322 -2.703 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.236 -6.782 -5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.105 -2.246 -7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.019 -6.328 -6.851 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.548 -4.060 -7.627 1.00 0.00 H new ATOM 311 N ASP A 21 4.034 -7.132 -3.197 1.00 0.00 N ATOM 312 CA ASP A 21 3.315 -8.238 -2.567 1.00 0.00 C ATOM 313 C ASP A 21 2.993 -7.922 -1.108 1.00 0.00 C ATOM 314 O ASP A 21 1.917 -8.260 -0.618 1.00 0.00 O ATOM 315 CB ASP A 21 4.115 -9.545 -2.666 1.00 0.00 C ATOM 316 CG ASP A 21 5.492 -9.454 -2.039 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.657 -9.900 -0.886 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.421 -8.940 -2.696 1.00 0.00 O ATOM 0 H ASP A 21 4.971 -7.370 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 21 2.376 -8.369 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.554 -10.344 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.219 -9.821 -3.715 1.00 0.00 H new ATOM 323 N GLN A 22 3.920 -7.263 -0.418 1.00 0.00 N ATOM 324 CA GLN A 22 3.680 -6.828 0.952 1.00 0.00 C ATOM 325 C GLN A 22 2.628 -5.721 0.975 1.00 0.00 C ATOM 326 O GLN A 22 1.801 -5.651 1.887 1.00 0.00 O ATOM 327 CB GLN A 22 4.971 -6.326 1.609 1.00 0.00 C ATOM 328 CG GLN A 22 4.783 -5.927 3.064 1.00 0.00 C ATOM 329 CD GLN A 22 6.018 -5.287 3.673 1.00 0.00 C ATOM 330 OE1 GLN A 22 7.147 -5.585 3.285 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.812 -4.408 4.639 1.00 0.00 N ATOM 0 H GLN A 22 4.840 -7.020 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 22 3.318 -7.687 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.730 -7.106 1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.347 -5.470 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.947 -5.231 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.515 -6.810 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.861 -4.187 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.604 -3.951 5.090 1.00 0.00 H new ATOM 340 N CYS A 23 2.660 -4.861 -0.040 1.00 0.00 N ATOM 341 CA CYS A 23 1.673 -3.788 -0.160 1.00 0.00 C ATOM 342 C CYS A 23 0.283 -4.386 -0.299 1.00 0.00 C ATOM 343 O CYS A 23 -0.650 -3.986 0.401 1.00 0.00 O ATOM 344 CB CYS A 23 1.975 -2.867 -1.357 1.00 0.00 C ATOM 345 SG CYS A 23 0.904 -1.396 -1.447 1.00 0.00 S ATOM 0 H CYS A 23 3.354 -4.884 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 23 1.723 -3.180 0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.015 -2.544 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.868 -3.439 -2.279 1.00 0.00 H new ATOM 350 N TYR A 24 0.157 -5.373 -1.179 1.00 0.00 N ATOM 351 CA TYR A 24 -1.106 -6.065 -1.371 1.00 0.00 C ATOM 352 C TYR A 24 -1.528 -6.752 -0.077 1.00 0.00 C ATOM 353 O TYR A 24 -2.706 -6.799 0.247 1.00 0.00 O ATOM 354 CB TYR A 24 -0.995 -7.095 -2.505 1.00 0.00 C ATOM 355 CG TYR A 24 -2.332 -7.618 -2.976 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.956 -8.675 -2.327 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.969 -7.053 -4.070 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.178 -9.152 -2.755 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.191 -7.524 -4.504 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.791 -8.573 -3.844 1.00 0.00 C ATOM 361 OH TYR A 24 -6.013 -9.044 -4.274 1.00 0.00 O ATOM 0 H TYR A 24 0.917 -5.710 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.863 -5.331 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.474 -6.641 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.385 -7.932 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.477 -9.131 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.501 -6.231 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.651 -9.975 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.675 -7.072 -5.357 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.308 -8.526 -5.052 1.00 0.00 H new ATOM 371 N GLN A 25 -0.558 -7.243 0.680 1.00 0.00 N ATOM 372 CA GLN A 25 -0.836 -7.982 1.901 1.00 0.00 C ATOM 373 C GLN A 25 -1.482 -7.075 2.950 1.00 0.00 C ATOM 374 O GLN A 25 -2.389 -7.487 3.672 1.00 0.00 O ATOM 375 CB GLN A 25 0.469 -8.577 2.449 1.00 0.00 C ATOM 376 CG GLN A 25 0.295 -9.412 3.710 1.00 0.00 C ATOM 377 CD GLN A 25 1.614 -9.920 4.254 1.00 0.00 C ATOM 378 OE1 GLN A 25 2.561 -10.160 3.501 1.00 0.00 O ATOM 379 NE2 GLN A 25 1.685 -10.096 5.561 1.00 0.00 N ATOM 0 H GLN A 25 0.434 -7.142 0.468 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.534 -8.787 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.925 -9.197 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.165 -7.765 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.203 -8.813 4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.356 -10.259 3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.878 -9.885 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.547 -10.443 5.983 1.00 0.00 H new ATOM 388 N MET A 26 -1.014 -5.840 3.016 1.00 0.00 N ATOM 389 CA MET A 26 -1.503 -4.892 4.006 1.00 0.00 C ATOM 390 C MET A 26 -2.761 -4.169 3.526 1.00 0.00 C ATOM 391 O MET A 26 -3.716 -4.003 4.283 1.00 0.00 O ATOM 392 CB MET A 26 -0.399 -3.876 4.329 1.00 0.00 C ATOM 393 CG MET A 26 -0.870 -2.669 5.137 1.00 0.00 C ATOM 394 SD MET A 26 0.442 -1.456 5.402 1.00 0.00 S ATOM 395 CE MET A 26 0.897 -1.035 3.717 1.00 0.00 C ATOM 0 H MET A 26 -0.295 -5.469 2.395 1.00 0.00 H new ATOM 0 HA MET A 26 -1.769 -5.447 4.905 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.393 -4.381 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.039 -3.524 3.395 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.702 -2.192 4.619 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.247 -3.007 6.102 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.118 0.031 3.655 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.778 -1.606 3.425 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.071 -1.274 3.047 1.00 0.00 H new ATOM 405 N CYS A 27 -2.767 -3.745 2.272 1.00 0.00 N ATOM 406 CA CYS A 27 -3.856 -2.911 1.764 1.00 0.00 C ATOM 407 C CYS A 27 -5.086 -3.722 1.346 1.00 0.00 C ATOM 408 O CYS A 27 -6.185 -3.170 1.266 1.00 0.00 O ATOM 409 CB CYS A 27 -3.368 -2.059 0.590 1.00 0.00 C ATOM 410 SG CYS A 27 -1.894 -1.059 0.975 1.00 0.00 S ATOM 0 H CYS A 27 -2.040 -3.959 1.590 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.165 -2.266 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.143 -2.712 -0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.174 -1.396 0.274 1.00 0.00 H new ATOM 415 N SER A 28 -4.920 -5.018 1.090 1.00 0.00 N ATOM 416 CA SER A 28 -6.042 -5.843 0.639 1.00 0.00 C ATOM 417 C SER A 28 -7.220 -5.865 1.635 1.00 0.00 C ATOM 418 O SER A 28 -8.361 -5.707 1.207 1.00 0.00 O ATOM 419 CB SER A 28 -5.592 -7.266 0.276 1.00 0.00 C ATOM 420 OG SER A 28 -4.834 -7.864 1.312 1.00 0.00 O ATOM 0 H SER A 28 -4.034 -5.515 1.185 1.00 0.00 H new ATOM 0 HA SER A 28 -6.416 -5.367 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.468 -7.881 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.998 -7.236 -0.637 1.00 0.00 H new ATOM 0 HG SER A 28 -3.885 -7.652 1.187 1.00 0.00 H new ATOM 426 N PRO A 29 -6.992 -6.060 2.964 1.00 0.00 N ATOM 427 CA PRO A 29 -8.084 -6.028 3.956 1.00 0.00 C ATOM 428 C PRO A 29 -8.900 -4.738 3.887 1.00 0.00 C ATOM 429 O PRO A 29 -10.122 -4.749 4.050 1.00 0.00 O ATOM 430 CB PRO A 29 -7.355 -6.124 5.296 1.00 0.00 C ATOM 431 CG PRO A 29 -6.100 -6.858 4.976 1.00 0.00 C ATOM 432 CD PRO A 29 -5.696 -6.374 3.608 1.00 0.00 C ATOM 0 HA PRO A 29 -8.804 -6.829 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.145 -5.137 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.951 -6.658 6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.324 -6.650 5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.262 -7.936 4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.052 -5.497 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.147 -7.137 3.057 1.00 0.00 H new ATOM 440 N LEU A 30 -8.207 -3.638 3.633 1.00 0.00 N ATOM 441 CA LEU A 30 -8.835 -2.330 3.493 1.00 0.00 C ATOM 442 C LEU A 30 -9.662 -2.303 2.212 1.00 0.00 C ATOM 443 O LEU A 30 -10.872 -2.068 2.235 1.00 0.00 O ATOM 444 CB LEU A 30 -7.741 -1.239 3.447 1.00 0.00 C ATOM 445 CG LEU A 30 -8.182 0.220 3.685 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.976 1.141 3.588 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.249 0.669 2.690 1.00 0.00 C ATOM 0 H LEU A 30 -7.194 -3.626 3.518 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.490 -2.139 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.985 -1.488 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.256 -1.289 2.472 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.618 0.273 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.290 2.171 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.241 0.858 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.531 1.055 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.528 1.702 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.855 0.596 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.127 0.030 2.785 1.00 0.00 H new ATOM 459 N GLU A 31 -8.991 -2.567 1.104 1.00 0.00 N ATOM 460 CA GLU A 31 -9.593 -2.439 -0.219 1.00 0.00 C ATOM 461 C GLU A 31 -10.721 -3.448 -0.422 1.00 0.00 C ATOM 462 O GLU A 31 -11.874 -3.064 -0.610 1.00 0.00 O ATOM 463 CB GLU A 31 -8.519 -2.595 -1.306 1.00 0.00 C ATOM 464 CG GLU A 31 -9.045 -2.420 -2.726 1.00 0.00 C ATOM 465 CD GLU A 31 -7.958 -2.578 -3.768 1.00 0.00 C ATOM 466 OE1 GLU A 31 -7.642 -1.584 -4.457 1.00 0.00 O ATOM 467 OE2 GLU A 31 -7.405 -3.690 -3.898 1.00 0.00 O ATOM 0 H GLU A 31 -8.019 -2.875 1.092 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.030 -1.443 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.729 -1.865 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.066 -3.582 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.832 -3.151 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.498 -1.433 -2.824 1.00 0.00 H new ATOM 474 N ARG A 32 -10.394 -4.730 -0.371 1.00 0.00 N ATOM 475 CA ARG A 32 -11.387 -5.778 -0.584 1.00 0.00 C ATOM 476 C ARG A 32 -11.026 -7.054 0.164 1.00 0.00 C ATOM 477 O ARG A 32 -10.103 -7.773 -0.220 1.00 0.00 O ATOM 478 CB ARG A 32 -11.558 -6.093 -2.083 1.00 0.00 C ATOM 479 CG ARG A 32 -12.446 -5.094 -2.855 1.00 0.00 C ATOM 480 CD ARG A 32 -13.914 -5.125 -2.414 1.00 0.00 C ATOM 481 NE ARG A 32 -14.081 -4.789 -1.000 1.00 0.00 N ATOM 482 CZ ARG A 32 -14.939 -5.395 -0.176 1.00 0.00 C ATOM 483 NH1 ARG A 32 -15.734 -6.364 -0.622 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.999 -5.030 1.096 1.00 0.00 N ATOM 0 H ARG A 32 -9.451 -5.072 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.331 -5.399 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.573 -6.119 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.985 -7.091 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.053 -4.087 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.389 -5.315 -3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.487 -4.424 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.325 -6.117 -2.599 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.503 -4.041 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.691 -6.649 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.387 -6.822 0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.391 -4.288 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.653 -5.491 1.728 1.00 0.00 H new ATOM 498 N SER A 33 -11.745 -7.315 1.244 1.00 0.00 N ATOM 499 CA SER A 33 -11.643 -8.580 1.962 1.00 0.00 C ATOM 500 C SER A 33 -12.970 -8.879 2.652 1.00 0.00 C ATOM 501 CB SER A 33 -10.495 -8.552 2.981 1.00 0.00 C ATOM 502 OG SER A 33 -9.243 -8.379 2.331 1.00 0.00 O ATOM 0 H SER A 33 -12.414 -6.660 1.648 1.00 0.00 H new ATOM 0 HA SER A 33 -11.422 -9.372 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.655 -7.742 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.488 -9.481 3.552 1.00 0.00 H new ATOM 0 HG SER A 33 -9.385 -8.298 1.365 1.00 0.00 H new TER 508 SER A 33