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 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.098) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.153 USER MOD Single : A 4 GLN : amide:sc= -0.852 K(o=-0.85,f=-0.033) USER MOD Single : A 5 GLN : amide:sc= -0.844 K(o=-0.84,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0652 (180deg=-0.382) USER MOD Single : A 10 TYR OH : rot -4:sc= 0.0127 USER MOD Single : A 14 ASN : amide:sc= -1 K(o=-1,f=-0.0092) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0172 (180deg=-0.315) USER MOD Single : A 22 GLN : amide:sc=-0.00447 K(o=-0.0045,f=-0.99) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.1) USER MOD Single : A 26 MET CE :methyl 151:sc= -0.266 (180deg=-0.981) USER MOD Single : A 28 SER OG : rot -94:sc= -1.81! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.023 2.501 -0.301 1.00 0.00 N ATOM 2 CA ALA A 1 -17.116 2.654 -1.458 1.00 0.00 C ATOM 3 C ALA A 1 -16.191 3.844 -1.249 1.00 0.00 C ATOM 4 O ALA A 1 -16.652 4.971 -1.065 1.00 0.00 O ATOM 5 CB ALA A 1 -17.915 2.825 -2.739 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.649 1.685 -0.456 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.463 2.348 0.562 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.596 3.362 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.510 1.752 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.232 2.936 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.544 1.949 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.543 3.713 -2.661 1.00 0.00 H new ATOM 10 N SER A 2 -14.891 3.592 -1.277 1.00 0.00 N ATOM 11 CA SER A 2 -13.902 4.646 -1.072 1.00 0.00 C ATOM 12 C SER A 2 -12.548 4.206 -1.639 1.00 0.00 C ATOM 13 O SER A 2 -11.602 3.959 -0.888 1.00 0.00 O ATOM 14 CB SER A 2 -13.770 4.975 0.426 1.00 0.00 C ATOM 15 OG SER A 2 -13.083 6.200 0.622 1.00 0.00 O ATOM 0 H SER A 2 -14.494 2.667 -1.440 1.00 0.00 H new ATOM 0 HA SER A 2 -14.231 5.544 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.761 5.034 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.237 4.171 0.932 1.00 0.00 H new ATOM 0 HG SER A 2 -13.152 6.467 1.562 1.00 0.00 H new ATOM 21 N PRO A 3 -12.440 4.087 -2.980 1.00 0.00 N ATOM 22 CA PRO A 3 -11.201 3.644 -3.637 1.00 0.00 C ATOM 23 C PRO A 3 -9.989 4.516 -3.299 1.00 0.00 C ATOM 24 O PRO A 3 -8.853 4.047 -3.336 1.00 0.00 O ATOM 25 CB PRO A 3 -11.519 3.735 -5.133 1.00 0.00 C ATOM 26 CG PRO A 3 -13.004 3.672 -5.216 1.00 0.00 C ATOM 27 CD PRO A 3 -13.520 4.339 -3.958 1.00 0.00 C ATOM 0 HA PRO A 3 -10.923 2.644 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.139 4.662 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.058 2.916 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.367 4.185 -6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.348 2.640 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.689 5.406 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.467 3.909 -3.633 1.00 0.00 H new ATOM 35 N GLN A 4 -10.233 5.779 -2.959 1.00 0.00 N ATOM 36 CA GLN A 4 -9.153 6.710 -2.652 1.00 0.00 C ATOM 37 C GLN A 4 -8.383 6.279 -1.408 1.00 0.00 C ATOM 38 O GLN A 4 -7.164 6.427 -1.344 1.00 0.00 O ATOM 39 CB GLN A 4 -9.700 8.125 -2.466 1.00 0.00 C ATOM 40 CG GLN A 4 -8.615 9.155 -2.167 1.00 0.00 C ATOM 41 CD GLN A 4 -7.608 9.301 -3.298 1.00 0.00 C ATOM 42 OE1 GLN A 4 -6.432 9.574 -3.063 1.00 0.00 O ATOM 43 NE2 GLN A 4 -8.061 9.137 -4.534 1.00 0.00 N ATOM 0 H GLN A 4 -11.168 6.180 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.464 6.704 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.235 8.422 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.424 8.123 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.082 10.121 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.091 8.868 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.043 8.911 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.427 9.237 -5.327 1.00 0.00 H new ATOM 52 N GLN A 5 -9.091 5.734 -0.428 1.00 0.00 N ATOM 53 CA GLN A 5 -8.453 5.283 0.808 1.00 0.00 C ATOM 54 C GLN A 5 -7.511 4.122 0.520 1.00 0.00 C ATOM 55 O GLN A 5 -6.396 4.058 1.042 1.00 0.00 O ATOM 56 CB GLN A 5 -9.489 4.861 1.858 1.00 0.00 C ATOM 57 CG GLN A 5 -10.311 6.011 2.435 1.00 0.00 C ATOM 58 CD GLN A 5 -11.269 5.560 3.526 1.00 0.00 C ATOM 59 OE1 GLN A 5 -11.589 6.322 4.439 1.00 0.00 O ATOM 60 NE2 GLN A 5 -11.733 4.320 3.445 1.00 0.00 N ATOM 0 H GLN A 5 -10.101 5.593 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.886 6.122 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.168 4.136 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.974 4.354 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.637 6.767 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.877 6.485 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.446 3.717 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.377 3.969 4.154 1.00 0.00 H new ATOM 69 N ALA A 6 -7.966 3.211 -0.324 1.00 0.00 N ATOM 70 CA ALA A 6 -7.144 2.089 -0.752 1.00 0.00 C ATOM 71 C ALA A 6 -5.964 2.578 -1.574 1.00 0.00 C ATOM 72 O ALA A 6 -4.845 2.085 -1.428 1.00 0.00 O ATOM 73 CB ALA A 6 -7.971 1.098 -1.553 1.00 0.00 C ATOM 0 H ALA A 6 -8.903 3.226 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.763 1.584 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.340 0.266 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.788 0.723 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.380 1.593 -2.434 1.00 0.00 H new ATOM 79 N LYS A 7 -6.219 3.568 -2.421 1.00 0.00 N ATOM 80 CA LYS A 7 -5.181 4.144 -3.262 1.00 0.00 C ATOM 81 C LYS A 7 -4.112 4.810 -2.397 1.00 0.00 C ATOM 82 O LYS A 7 -2.927 4.766 -2.718 1.00 0.00 O ATOM 83 CB LYS A 7 -5.792 5.150 -4.246 1.00 0.00 C ATOM 84 CG LYS A 7 -4.810 5.681 -5.276 1.00 0.00 C ATOM 85 CD LYS A 7 -4.255 4.551 -6.146 1.00 0.00 C ATOM 86 CE LYS A 7 -3.375 5.084 -7.273 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.115 6.012 -8.167 1.00 0.00 N ATOM 0 H LYS A 7 -7.140 3.989 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.709 3.348 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.625 4.675 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.202 5.989 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.305 6.420 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.990 6.191 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.677 3.866 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.081 3.979 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.514 5.600 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.989 4.249 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.593 6.124 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.060 5.624 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.211 6.938 -7.704 1.00 0.00 H new ATOM 101 N TYR A 8 -4.544 5.405 -1.286 1.00 0.00 N ATOM 102 CA TYR A 8 -3.627 6.009 -0.328 1.00 0.00 C ATOM 103 C TYR A 8 -2.704 4.948 0.268 1.00 0.00 C ATOM 104 O TYR A 8 -1.504 5.176 0.448 1.00 0.00 O ATOM 105 CB TYR A 8 -4.406 6.715 0.788 1.00 0.00 C ATOM 106 CG TYR A 8 -3.519 7.366 1.822 1.00 0.00 C ATOM 107 CD1 TYR A 8 -3.007 8.641 1.625 1.00 0.00 C ATOM 108 CD2 TYR A 8 -3.189 6.700 2.995 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.190 9.233 2.568 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.376 7.283 3.940 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.877 8.548 3.726 1.00 0.00 C ATOM 112 OH TYR A 8 -1.059 9.125 4.668 1.00 0.00 O ATOM 0 H TYR A 8 -5.528 5.480 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.020 6.747 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.052 7.473 0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.055 5.991 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.251 9.178 0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.577 5.707 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.798 10.225 2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.130 6.750 4.847 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.942 8.509 5.421 1.00 0.00 H new ATOM 122 N CYS A 9 -3.273 3.785 0.562 1.00 0.00 N ATOM 123 CA CYS A 9 -2.510 2.678 1.131 1.00 0.00 C ATOM 124 C CYS A 9 -1.435 2.213 0.152 1.00 0.00 C ATOM 125 O CYS A 9 -0.269 2.061 0.522 1.00 0.00 O ATOM 126 CB CYS A 9 -3.443 1.514 1.506 1.00 0.00 C ATOM 127 SG CYS A 9 -2.613 0.118 2.338 1.00 0.00 S ATOM 0 H CYS A 9 -4.262 3.583 0.416 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.020 3.028 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.231 1.892 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.926 1.146 0.601 1.00 0.00 H new ATOM 132 N TYR A 10 -1.829 2.025 -1.103 1.00 0.00 N ATOM 133 CA TYR A 10 -0.904 1.595 -2.148 1.00 0.00 C ATOM 134 C TYR A 10 0.099 2.693 -2.494 1.00 0.00 C ATOM 135 O TYR A 10 1.186 2.418 -3.004 1.00 0.00 O ATOM 136 CB TYR A 10 -1.662 1.176 -3.412 1.00 0.00 C ATOM 137 CG TYR A 10 -2.332 -0.174 -3.304 1.00 0.00 C ATOM 138 CD1 TYR A 10 -1.611 -1.333 -3.538 1.00 0.00 C ATOM 139 CD2 TYR A 10 -3.680 -0.292 -2.986 1.00 0.00 C ATOM 140 CE1 TYR A 10 -2.209 -2.573 -3.458 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.283 -1.528 -2.902 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.545 -2.666 -3.140 1.00 0.00 C ATOM 143 OH TYR A 10 -4.148 -3.901 -3.062 1.00 0.00 O ATOM 0 H TYR A 10 -2.787 2.164 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.357 0.736 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.417 1.929 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.968 1.160 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.562 -1.265 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.263 0.598 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.632 -3.467 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.331 -1.604 -2.650 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.509 -4.595 -3.327 1.00 0.00 H new ATOM 153 N GLU A 11 -0.274 3.935 -2.238 1.00 0.00 N ATOM 154 CA GLU A 11 0.620 5.054 -2.465 1.00 0.00 C ATOM 155 C GLU A 11 1.769 5.022 -1.465 1.00 0.00 C ATOM 156 O GLU A 11 2.928 4.818 -1.832 1.00 0.00 O ATOM 157 CB GLU A 11 -0.135 6.381 -2.337 1.00 0.00 C ATOM 158 CG GLU A 11 0.675 7.593 -2.767 1.00 0.00 C ATOM 159 CD GLU A 11 1.045 7.556 -4.234 1.00 0.00 C ATOM 160 OE1 GLU A 11 2.208 7.225 -4.552 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.176 7.865 -5.077 1.00 0.00 O ATOM 0 H GLU A 11 -1.191 4.193 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 11 1.020 4.971 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.043 6.331 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.446 6.513 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.103 8.498 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.584 7.649 -2.168 1.00 0.00 H new ATOM 168 N GLN A 12 1.429 5.175 -0.191 1.00 0.00 N ATOM 169 CA GLN A 12 2.426 5.384 0.850 1.00 0.00 C ATOM 170 C GLN A 12 3.242 4.128 1.135 1.00 0.00 C ATOM 171 O GLN A 12 4.370 4.224 1.612 1.00 0.00 O ATOM 172 CB GLN A 12 1.751 5.890 2.129 1.00 0.00 C ATOM 173 CG GLN A 12 1.057 7.226 1.935 1.00 0.00 C ATOM 174 CD GLN A 12 1.989 8.421 2.052 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.557 9.521 2.394 1.00 0.00 O ATOM 176 NE2 GLN A 12 3.274 8.221 1.800 1.00 0.00 N ATOM 0 H GLN A 12 0.467 5.158 0.146 1.00 0.00 H new ATOM 0 HA GLN A 12 3.124 6.138 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.023 5.153 2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.498 5.984 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.584 7.240 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.262 7.323 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.601 7.297 1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.937 8.991 1.888 1.00 0.00 H new ATOM 185 N CYS A 13 2.692 2.961 0.825 1.00 0.00 N ATOM 186 CA CYS A 13 3.397 1.707 1.075 1.00 0.00 C ATOM 187 C CYS A 13 4.700 1.665 0.275 1.00 0.00 C ATOM 188 O CYS A 13 5.775 1.441 0.829 1.00 0.00 O ATOM 189 CB CYS A 13 2.503 0.503 0.720 1.00 0.00 C ATOM 190 SG CYS A 13 2.121 0.352 -1.055 1.00 0.00 S ATOM 0 H CYS A 13 1.769 2.855 0.404 1.00 0.00 H new ATOM 0 HA CYS A 13 3.639 1.650 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.995 -0.411 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.569 0.583 1.276 1.00 0.00 H new ATOM 195 N ASN A 14 4.598 1.915 -1.023 1.00 0.00 N ATOM 196 CA ASN A 14 5.772 1.920 -1.898 1.00 0.00 C ATOM 197 C ASN A 14 6.627 3.162 -1.647 1.00 0.00 C ATOM 198 O ASN A 14 7.841 3.136 -1.846 1.00 0.00 O ATOM 199 CB ASN A 14 5.357 1.840 -3.378 1.00 0.00 C ATOM 200 CG ASN A 14 6.533 1.625 -4.321 1.00 0.00 C ATOM 201 OD1 ASN A 14 6.518 2.099 -5.458 1.00 0.00 O ATOM 202 ND2 ASN A 14 7.550 0.896 -3.875 1.00 0.00 N ATOM 0 H ASN A 14 3.718 2.117 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 14 6.369 1.038 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.644 1.025 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.842 2.760 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.351 0.714 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.530 0.518 -2.928 1.00 0.00 H new ATOM 209 N VAL A 15 5.998 4.246 -1.200 1.00 0.00 N ATOM 210 CA VAL A 15 6.721 5.479 -0.915 1.00 0.00 C ATOM 211 C VAL A 15 7.663 5.291 0.268 1.00 0.00 C ATOM 212 O VAL A 15 8.781 5.812 0.271 1.00 0.00 O ATOM 213 CB VAL A 15 5.762 6.664 -0.636 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.526 7.881 -0.127 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.980 7.029 -1.892 1.00 0.00 C ATOM 0 H VAL A 15 4.994 4.294 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 15 7.302 5.719 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 15 5.062 6.349 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.828 8.697 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.042 7.626 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.255 8.192 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.312 7.863 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.674 7.315 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.394 6.170 -2.218 1.00 0.00 H new ATOM 225 N ASN A 16 7.226 4.535 1.272 1.00 0.00 N ATOM 226 CA ASN A 16 8.073 4.287 2.431 1.00 0.00 C ATOM 227 C ASN A 16 9.177 3.305 2.064 1.00 0.00 C ATOM 228 O ASN A 16 10.320 3.708 1.832 1.00 0.00 O ATOM 229 CB ASN A 16 7.255 3.719 3.601 1.00 0.00 C ATOM 230 CG ASN A 16 6.180 4.675 4.096 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.291 5.888 3.928 1.00 0.00 O ATOM 232 ND2 ASN A 16 5.145 4.144 4.739 1.00 0.00 N ATOM 0 H ASN A 16 6.308 4.092 1.306 1.00 0.00 H new ATOM 0 HA ASN A 16 8.510 5.236 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.787 2.785 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.928 3.480 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.411 4.747 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.084 3.133 4.861 1.00 0.00 H new ATOM 239 N LYS A 17 8.810 2.026 1.978 1.00 0.00 N ATOM 240 CA LYS A 17 9.691 0.974 1.480 1.00 0.00 C ATOM 241 C LYS A 17 9.017 -0.395 1.627 1.00 0.00 C ATOM 242 O LYS A 17 9.233 -1.091 2.622 1.00 0.00 O ATOM 243 CB LYS A 17 11.042 0.973 2.216 1.00 0.00 C ATOM 244 CG LYS A 17 10.932 0.977 3.735 1.00 0.00 C ATOM 245 CD LYS A 17 12.312 1.005 4.379 1.00 0.00 C ATOM 246 CE LYS A 17 12.227 0.802 5.884 1.00 0.00 C ATOM 247 NZ LYS A 17 11.713 -0.550 6.237 1.00 0.00 N ATOM 0 H LYS A 17 7.887 1.691 2.254 1.00 0.00 H new ATOM 0 HA LYS A 17 9.881 1.173 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.609 0.095 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.613 1.847 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.357 1.844 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.389 0.092 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.936 0.226 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.795 1.958 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.214 0.941 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.575 1.562 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.950 -0.764 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.680 -0.571 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.149 -1.260 5.615 1.00 0.00 H new ATOM 261 N VAL A 18 8.199 -0.799 0.659 1.00 0.00 N ATOM 262 CA VAL A 18 7.606 -2.132 0.699 1.00 0.00 C ATOM 263 C VAL A 18 7.456 -2.674 -0.721 1.00 0.00 C ATOM 264 O VAL A 18 7.192 -1.918 -1.663 1.00 0.00 O ATOM 265 CB VAL A 18 6.212 -2.184 1.414 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.125 -1.214 2.589 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.077 -1.957 0.427 1.00 0.00 C ATOM 0 H VAL A 18 7.935 -0.235 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 18 8.287 -2.748 1.286 1.00 0.00 H new ATOM 0 HB VAL A 18 6.106 -3.188 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.140 -1.289 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.890 -1.464 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.283 -0.196 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.123 -1.999 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.191 -0.979 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.102 -2.730 -0.341 1.00 0.00 H new ATOM 277 N PRO A 19 7.671 -3.982 -0.896 1.00 0.00 N ATOM 278 CA PRO A 19 7.362 -4.676 -2.147 1.00 0.00 C ATOM 279 C PRO A 19 5.861 -4.654 -2.441 1.00 0.00 C ATOM 280 O PRO A 19 5.057 -4.571 -1.509 1.00 0.00 O ATOM 281 CB PRO A 19 7.827 -6.117 -1.896 1.00 0.00 C ATOM 282 CG PRO A 19 8.740 -6.043 -0.720 1.00 0.00 C ATOM 283 CD PRO A 19 8.262 -4.880 0.102 1.00 0.00 C ATOM 0 HA PRO A 19 7.847 -4.209 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.980 -6.773 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.342 -6.520 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.709 -6.967 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.773 -5.899 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.530 -5.189 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.082 -4.402 0.638 1.00 0.00 H new ATOM 291 N PHE A 20 5.475 -4.736 -3.713 1.00 0.00 N ATOM 292 CA PHE A 20 4.057 -4.660 -4.076 1.00 0.00 C ATOM 293 C PHE A 20 3.244 -5.736 -3.357 1.00 0.00 C ATOM 294 O PHE A 20 2.151 -5.459 -2.855 1.00 0.00 O ATOM 295 CB PHE A 20 3.851 -4.780 -5.592 1.00 0.00 C ATOM 296 CG PHE A 20 2.419 -4.583 -6.007 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.562 -5.666 -6.137 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.928 -3.313 -6.257 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.243 -5.482 -6.508 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.612 -3.123 -6.630 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.232 -4.209 -6.756 1.00 0.00 C ATOM 0 H PHE A 20 6.112 -4.853 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 20 3.703 -3.679 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.475 -4.043 -6.098 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.188 -5.763 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.929 -6.664 -5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.583 -2.460 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.415 -6.333 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.243 -2.126 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.262 -4.063 -7.048 1.00 0.00 H new ATOM 311 N ASP A 21 3.784 -6.951 -3.287 1.00 0.00 N ATOM 312 CA ASP A 21 3.087 -8.054 -2.628 1.00 0.00 C ATOM 313 C ASP A 21 2.825 -7.718 -1.162 1.00 0.00 C ATOM 314 O ASP A 21 1.745 -7.985 -0.642 1.00 0.00 O ATOM 315 CB ASP A 21 3.870 -9.370 -2.744 1.00 0.00 C ATOM 316 CG ASP A 21 5.150 -9.396 -1.929 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.211 -9.005 -2.459 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.104 -9.829 -0.762 1.00 0.00 O ATOM 0 H ASP A 21 4.695 -7.196 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 21 2.133 -8.192 -3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.230 -10.192 -2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.114 -9.545 -3.792 1.00 0.00 H new ATOM 323 N GLN A 22 3.808 -7.103 -0.511 1.00 0.00 N ATOM 324 CA GLN A 22 3.659 -6.653 0.865 1.00 0.00 C ATOM 325 C GLN A 22 2.576 -5.585 0.954 1.00 0.00 C ATOM 326 O GLN A 22 1.773 -5.572 1.890 1.00 0.00 O ATOM 327 CB GLN A 22 4.977 -6.090 1.389 1.00 0.00 C ATOM 328 CG GLN A 22 4.875 -5.541 2.800 1.00 0.00 C ATOM 329 CD GLN A 22 4.748 -6.631 3.844 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.268 -7.732 3.675 1.00 0.00 O ATOM 331 NE2 GLN A 22 4.059 -6.332 4.933 1.00 0.00 N ATOM 0 H GLN A 22 4.721 -6.905 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 22 3.372 -7.508 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.734 -6.874 1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.317 -5.298 0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.757 -4.938 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.012 -4.878 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.643 -5.406 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.944 -7.027 5.671 1.00 0.00 H new ATOM 340 N CYS A 23 2.558 -4.691 -0.028 1.00 0.00 N ATOM 341 CA CYS A 23 1.548 -3.639 -0.069 1.00 0.00 C ATOM 342 C CYS A 23 0.169 -4.265 -0.201 1.00 0.00 C ATOM 343 O CYS A 23 -0.766 -3.888 0.504 1.00 0.00 O ATOM 344 CB CYS A 23 1.794 -2.654 -1.223 1.00 0.00 C ATOM 345 SG CYS A 23 0.768 -1.154 -1.136 1.00 0.00 S ATOM 0 H CYS A 23 3.224 -4.672 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 23 1.611 -3.074 0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.845 -2.365 -1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.602 -3.161 -2.169 1.00 0.00 H new ATOM 350 N TYR A 24 0.059 -5.251 -1.084 1.00 0.00 N ATOM 351 CA TYR A 24 -1.180 -5.987 -1.255 1.00 0.00 C ATOM 352 C TYR A 24 -1.600 -6.623 0.065 1.00 0.00 C ATOM 353 O TYR A 24 -2.773 -6.632 0.401 1.00 0.00 O ATOM 354 CB TYR A 24 -1.030 -7.076 -2.326 1.00 0.00 C ATOM 355 CG TYR A 24 -2.340 -7.727 -2.698 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.814 -8.833 -2.004 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.107 -7.230 -3.738 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.014 -9.423 -2.339 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.307 -7.816 -4.080 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.757 -8.912 -3.378 1.00 0.00 C ATOM 361 OH TYR A 24 -5.959 -9.497 -3.713 1.00 0.00 O ATOM 0 H TYR A 24 0.818 -5.557 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.947 -5.284 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.582 -6.640 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.342 -7.840 -1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.233 -9.237 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.760 -6.369 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.369 -10.282 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.892 -7.417 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.358 -9.015 -4.467 1.00 0.00 H new ATOM 371 N GLN A 25 -0.629 -7.107 0.827 1.00 0.00 N ATOM 372 CA GLN A 25 -0.915 -7.841 2.058 1.00 0.00 C ATOM 373 C GLN A 25 -1.505 -6.915 3.112 1.00 0.00 C ATOM 374 O GLN A 25 -2.381 -7.309 3.876 1.00 0.00 O ATOM 375 CB GLN A 25 0.357 -8.509 2.612 1.00 0.00 C ATOM 376 CG GLN A 25 0.893 -9.672 1.767 1.00 0.00 C ATOM 377 CD GLN A 25 2.218 -10.192 2.278 1.00 0.00 C ATOM 378 OE1 GLN A 25 3.018 -9.447 2.843 1.00 0.00 O ATOM 379 NE2 GLN A 25 2.463 -11.475 2.088 1.00 0.00 N ATOM 0 H GLN A 25 0.364 -7.006 0.617 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.642 -8.617 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.138 -7.754 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.150 -8.874 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.164 -10.482 1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.008 -9.344 0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.775 -12.061 1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.340 -11.880 2.414 1.00 0.00 H new ATOM 388 N MET A 26 -1.030 -5.681 3.143 1.00 0.00 N ATOM 389 CA MET A 26 -1.494 -4.717 4.127 1.00 0.00 C ATOM 390 C MET A 26 -2.765 -4.001 3.661 1.00 0.00 C ATOM 391 O MET A 26 -3.656 -3.718 4.463 1.00 0.00 O ATOM 392 CB MET A 26 -0.378 -3.707 4.414 1.00 0.00 C ATOM 393 CG MET A 26 -0.806 -2.508 5.254 1.00 0.00 C ATOM 394 SD MET A 26 0.563 -1.379 5.590 1.00 0.00 S ATOM 395 CE MET A 26 1.150 -1.023 3.932 1.00 0.00 C ATOM 0 H MET A 26 -0.324 -5.323 2.499 1.00 0.00 H new ATOM 0 HA MET A 26 -1.745 -5.252 5.043 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.436 -4.221 4.926 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.020 -3.346 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.599 -1.969 4.735 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.224 -2.859 6.198 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.592 -0.027 3.909 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.901 -1.760 3.646 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.315 -1.066 3.233 1.00 0.00 H new ATOM 405 N CYS A 27 -2.853 -3.712 2.370 1.00 0.00 N ATOM 406 CA CYS A 27 -3.996 -2.971 1.838 1.00 0.00 C ATOM 407 C CYS A 27 -5.190 -3.881 1.520 1.00 0.00 C ATOM 408 O CYS A 27 -6.321 -3.402 1.433 1.00 0.00 O ATOM 409 CB CYS A 27 -3.595 -2.179 0.588 1.00 0.00 C ATOM 410 SG CYS A 27 -2.118 -1.133 0.817 1.00 0.00 S ATOM 0 H CYS A 27 -2.155 -3.975 1.674 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.310 -2.279 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.411 -2.877 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.431 -1.549 0.286 1.00 0.00 H new ATOM 415 N SER A 28 -4.959 -5.184 1.345 1.00 0.00 N ATOM 416 CA SER A 28 -6.057 -6.104 1.031 1.00 0.00 C ATOM 417 C SER A 28 -7.123 -6.169 2.142 1.00 0.00 C ATOM 418 O SER A 28 -8.310 -6.136 1.830 1.00 0.00 O ATOM 419 CB SER A 28 -5.545 -7.509 0.658 1.00 0.00 C ATOM 420 OG SER A 28 -4.615 -8.007 1.601 1.00 0.00 O ATOM 0 H SER A 28 -4.040 -5.621 1.413 1.00 0.00 H new ATOM 0 HA SER A 28 -6.551 -5.690 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.390 -8.194 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.078 -7.474 -0.326 1.00 0.00 H new ATOM 0 HG SER A 28 -3.704 -7.802 1.302 1.00 0.00 H new ATOM 426 N PRO A 29 -6.754 -6.261 3.447 1.00 0.00 N ATOM 427 CA PRO A 29 -7.740 -6.207 4.542 1.00 0.00 C ATOM 428 C PRO A 29 -8.566 -4.919 4.529 1.00 0.00 C ATOM 429 O PRO A 29 -9.680 -4.876 5.048 1.00 0.00 O ATOM 430 CB PRO A 29 -6.880 -6.268 5.806 1.00 0.00 C ATOM 431 CG PRO A 29 -5.638 -6.968 5.374 1.00 0.00 C ATOM 432 CD PRO A 29 -5.391 -6.495 3.966 1.00 0.00 C ATOM 0 HA PRO A 29 -8.469 -7.014 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.662 -5.270 6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.385 -6.811 6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.800 -6.722 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.762 -8.050 5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.790 -5.586 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.858 -7.242 3.377 1.00 0.00 H new ATOM 440 N LEU A 30 -8.011 -3.882 3.919 1.00 0.00 N ATOM 441 CA LEU A 30 -8.669 -2.586 3.833 1.00 0.00 C ATOM 442 C LEU A 30 -9.626 -2.582 2.643 1.00 0.00 C ATOM 443 O LEU A 30 -10.842 -2.459 2.804 1.00 0.00 O ATOM 444 CB LEU A 30 -7.607 -1.478 3.673 1.00 0.00 C ATOM 445 CG LEU A 30 -8.038 -0.036 4.017 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.893 0.927 3.731 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.276 0.395 3.239 1.00 0.00 C ATOM 0 H LEU A 30 -7.095 -3.914 3.471 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.237 -2.399 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.753 -1.735 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.259 -1.490 2.640 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.290 -0.014 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.203 1.943 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.029 0.655 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.627 0.873 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.541 1.416 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.068 0.350 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.105 -0.272 3.476 1.00 0.00 H new ATOM 459 N GLU A 31 -9.060 -2.731 1.455 1.00 0.00 N ATOM 460 CA GLU A 31 -9.825 -2.646 0.212 1.00 0.00 C ATOM 461 C GLU A 31 -10.808 -3.808 0.099 1.00 0.00 C ATOM 462 O GLU A 31 -11.962 -3.611 -0.285 1.00 0.00 O ATOM 463 CB GLU A 31 -8.875 -2.627 -0.994 1.00 0.00 C ATOM 464 CG GLU A 31 -9.570 -2.357 -2.323 1.00 0.00 C ATOM 465 CD GLU A 31 -8.602 -2.312 -3.488 1.00 0.00 C ATOM 466 OE1 GLU A 31 -8.476 -3.327 -4.203 1.00 0.00 O ATOM 467 OE2 GLU A 31 -7.968 -1.262 -3.702 1.00 0.00 O ATOM 0 H GLU A 31 -8.065 -2.913 1.321 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.397 -1.718 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.113 -1.864 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.359 -3.585 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.314 -3.132 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.105 -1.409 -2.263 1.00 0.00 H new ATOM 474 N ARG A 32 -10.345 -5.002 0.451 1.00 0.00 N ATOM 475 CA ARG A 32 -11.183 -6.207 0.451 1.00 0.00 C ATOM 476 C ARG A 32 -11.735 -6.504 -0.939 1.00 0.00 C ATOM 477 O ARG A 32 -12.862 -6.134 -1.272 1.00 0.00 O ATOM 478 CB ARG A 32 -12.335 -6.075 1.465 1.00 0.00 C ATOM 479 CG ARG A 32 -11.900 -6.164 2.941 1.00 0.00 C ATOM 480 CD ARG A 32 -11.645 -7.600 3.414 1.00 0.00 C ATOM 481 NE ARG A 32 -10.839 -8.387 2.477 1.00 0.00 N ATOM 482 CZ ARG A 32 -9.787 -9.129 2.830 1.00 0.00 C ATOM 483 NH1 ARG A 32 -9.414 -9.203 4.104 1.00 0.00 N ATOM 484 NH2 ARG A 32 -9.117 -9.815 1.911 1.00 0.00 N ATOM 0 H ARG A 32 -9.382 -5.167 0.744 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.550 -7.043 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.836 -5.121 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.068 -6.857 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.993 -5.577 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.671 -5.714 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.142 -7.572 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.602 -8.099 3.567 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.099 -8.367 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.933 -8.691 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.609 -9.772 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.406 -9.775 0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.313 -10.381 2.183 1.00 0.00 H new ATOM 498 N SER A 33 -10.925 -7.167 -1.743 1.00 0.00 N ATOM 499 CA SER A 33 -11.342 -7.608 -3.060 1.00 0.00 C ATOM 500 C SER A 33 -11.409 -9.132 -3.080 1.00 0.00 C ATOM 501 CB SER A 33 -10.361 -7.093 -4.122 1.00 0.00 C ATOM 502 OG SER A 33 -9.031 -7.455 -3.791 1.00 0.00 O ATOM 0 H SER A 33 -9.965 -7.414 -1.503 1.00 0.00 H new ATOM 0 HA SER A 33 -12.329 -7.206 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.623 -7.504 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.439 -6.009 -4.202 1.00 0.00 H new ATOM 0 HG SER A 33 -8.420 -7.120 -4.480 1.00 0.00 H new TER 508 SER A 33