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 -68:sc= 0.0424 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.77! K(o=-2.7!,f=0.65) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 4 GLN : amide:sc= -1.08! C(o=-1.1!,f=-4.2!) USER MOD Single : A 5 GLN : amide:sc= -1.35 X(o=-1.4,f=-0.98) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.121 (180deg=-0.549) USER MOD Single : A 10 TYR OH : rot 42:sc= 0.774 USER MOD Single : A 14 ASN : amide:sc= -5.27! K(o=-5.3!,f=-0.41) USER MOD Single : A 16 ASN : amide:sc= -0.903 K(o=-0.9,f=-0.044) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.946 K(o=-0.95,f=-0.036) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.33) USER MOD Single : A 26 MET CE :methyl 150:sc= -0.284 (180deg=-0.902) USER MOD Single : A 28 SER OG : rot -92:sc= -2.48! USER MOD Single : A 33 SER OG : rot -135:sc= 0.00895 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.578 4.281 -1.024 1.00 0.00 N ATOM 2 CA ALA A 1 -17.252 3.848 -1.515 1.00 0.00 C ATOM 3 C ALA A 1 -16.197 4.888 -1.160 1.00 0.00 C ATOM 4 O ALA A 1 -16.524 6.039 -0.879 1.00 0.00 O ATOM 5 CB ALA A 1 -17.293 3.619 -3.018 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.916 3.612 -0.303 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.501 5.230 -0.607 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.251 4.305 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.988 2.907 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.310 3.301 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.027 2.846 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.572 4.546 -3.520 1.00 0.00 H new ATOM 10 N SER A 2 -14.934 4.486 -1.162 1.00 0.00 N ATOM 11 CA SER A 2 -13.849 5.393 -0.794 1.00 0.00 C ATOM 12 C SER A 2 -12.535 4.979 -1.466 1.00 0.00 C ATOM 13 O SER A 2 -11.580 4.604 -0.787 1.00 0.00 O ATOM 14 CB SER A 2 -13.679 5.409 0.735 1.00 0.00 C ATOM 15 OG SER A 2 -14.847 5.899 1.373 1.00 0.00 O ATOM 0 H SER A 2 -14.633 3.544 -1.412 1.00 0.00 H new ATOM 0 HA SER A 2 -14.105 6.395 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.462 4.402 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.826 6.032 1.003 1.00 0.00 H new ATOM 0 HG SER A 2 -14.714 5.898 2.344 1.00 0.00 H new ATOM 21 N PRO A 3 -12.459 5.057 -2.810 1.00 0.00 N ATOM 22 CA PRO A 3 -11.275 4.611 -3.558 1.00 0.00 C ATOM 23 C PRO A 3 -9.984 5.311 -3.128 1.00 0.00 C ATOM 24 O PRO A 3 -8.901 4.734 -3.225 1.00 0.00 O ATOM 25 CB PRO A 3 -11.604 4.952 -5.018 1.00 0.00 C ATOM 26 CG PRO A 3 -13.089 5.051 -5.066 1.00 0.00 C ATOM 27 CD PRO A 3 -13.517 5.567 -3.708 1.00 0.00 C ATOM 0 HA PRO A 3 -11.085 3.552 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.136 5.889 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.238 4.181 -5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.410 5.727 -5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.538 4.080 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.572 6.655 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.501 5.193 -3.426 1.00 0.00 H new ATOM 35 N GLN A 4 -10.100 6.542 -2.632 1.00 0.00 N ATOM 36 CA GLN A 4 -8.924 7.328 -2.277 1.00 0.00 C ATOM 37 C GLN A 4 -8.189 6.734 -1.080 1.00 0.00 C ATOM 38 O GLN A 4 -6.963 6.805 -1.002 1.00 0.00 O ATOM 39 CB GLN A 4 -9.297 8.793 -2.007 1.00 0.00 C ATOM 40 CG GLN A 4 -9.902 9.069 -0.631 1.00 0.00 C ATOM 41 CD GLN A 4 -11.281 8.458 -0.439 1.00 0.00 C ATOM 42 OE1 GLN A 4 -12.026 8.260 -1.400 1.00 0.00 O ATOM 43 NE2 GLN A 4 -11.635 8.167 0.804 1.00 0.00 N ATOM 0 H GLN A 4 -10.990 7.012 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.248 7.298 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.403 9.406 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.006 9.117 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.232 8.681 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.967 10.147 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.990 8.346 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.553 7.764 0.992 1.00 0.00 H new ATOM 52 N GLN A 5 -8.931 6.134 -0.157 1.00 0.00 N ATOM 53 CA GLN A 5 -8.317 5.546 1.031 1.00 0.00 C ATOM 54 C GLN A 5 -7.506 4.312 0.654 1.00 0.00 C ATOM 55 O GLN A 5 -6.430 4.067 1.199 1.00 0.00 O ATOM 56 CB GLN A 5 -9.362 5.199 2.101 1.00 0.00 C ATOM 57 CG GLN A 5 -10.160 3.931 1.830 1.00 0.00 C ATOM 58 CD GLN A 5 -11.177 3.635 2.915 1.00 0.00 C ATOM 59 OE1 GLN A 5 -12.224 3.042 2.650 1.00 0.00 O ATOM 60 NE2 GLN A 5 -10.884 4.046 4.141 1.00 0.00 N ATOM 0 H GLN A 5 -9.946 6.041 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.647 6.292 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.857 5.095 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.056 6.034 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.673 4.028 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.475 3.088 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.006 4.534 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.536 3.874 4.906 1.00 0.00 H new ATOM 69 N ALA A 6 -8.026 3.546 -0.292 1.00 0.00 N ATOM 70 CA ALA A 6 -7.312 2.388 -0.806 1.00 0.00 C ATOM 71 C ALA A 6 -6.095 2.835 -1.595 1.00 0.00 C ATOM 72 O ALA A 6 -5.004 2.294 -1.429 1.00 0.00 O ATOM 73 CB ALA A 6 -8.224 1.524 -1.665 1.00 0.00 C ATOM 0 H ALA A 6 -8.939 3.705 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.979 1.784 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.666 0.665 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.067 1.178 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.593 2.110 -2.507 1.00 0.00 H new ATOM 79 N LYS A 7 -6.282 3.856 -2.422 1.00 0.00 N ATOM 80 CA LYS A 7 -5.198 4.400 -3.224 1.00 0.00 C ATOM 81 C LYS A 7 -4.107 4.965 -2.315 1.00 0.00 C ATOM 82 O LYS A 7 -2.927 4.926 -2.646 1.00 0.00 O ATOM 83 CB LYS A 7 -5.736 5.486 -4.164 1.00 0.00 C ATOM 84 CG LYS A 7 -4.748 5.937 -5.229 1.00 0.00 C ATOM 85 CD LYS A 7 -4.269 4.756 -6.078 1.00 0.00 C ATOM 86 CE LYS A 7 -3.616 5.219 -7.379 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.581 5.943 -8.252 1.00 0.00 N ATOM 0 H LYS A 7 -7.179 4.324 -2.554 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.765 3.603 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.635 5.113 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.032 6.351 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.217 6.683 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.892 6.417 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.557 4.162 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.114 4.107 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.772 5.870 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.218 4.356 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.256 5.901 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.518 5.498 -8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.644 6.936 -7.951 1.00 0.00 H new ATOM 101 N TYR A 8 -4.520 5.468 -1.155 1.00 0.00 N ATOM 102 CA TYR A 8 -3.594 5.998 -0.161 1.00 0.00 C ATOM 103 C TYR A 8 -2.739 4.876 0.423 1.00 0.00 C ATOM 104 O TYR A 8 -1.534 5.036 0.618 1.00 0.00 O ATOM 105 CB TYR A 8 -4.374 6.700 0.955 1.00 0.00 C ATOM 106 CG TYR A 8 -3.511 7.422 1.962 1.00 0.00 C ATOM 107 CD1 TYR A 8 -3.082 8.718 1.727 1.00 0.00 C ATOM 108 CD2 TYR A 8 -3.141 6.811 3.154 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.305 9.388 2.649 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.361 7.473 4.081 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.947 8.763 3.825 1.00 0.00 C ATOM 112 OH TYR A 8 -1.172 9.430 4.744 1.00 0.00 O ATOM 0 H TYR A 8 -5.501 5.519 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.936 6.719 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.062 7.416 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.980 5.960 1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.360 9.212 0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.469 5.802 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.978 10.398 2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.077 6.984 5.001 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.274 9.567 4.376 1.00 0.00 H new ATOM 122 N CYS A 9 -3.369 3.740 0.690 1.00 0.00 N ATOM 123 CA CYS A 9 -2.662 2.582 1.228 1.00 0.00 C ATOM 124 C CYS A 9 -1.591 2.114 0.244 1.00 0.00 C ATOM 125 O CYS A 9 -0.438 1.893 0.620 1.00 0.00 O ATOM 126 CB CYS A 9 -3.648 1.442 1.532 1.00 0.00 C ATOM 127 SG CYS A 9 -2.900 -0.005 2.357 1.00 0.00 S ATOM 0 H CYS A 9 -4.368 3.594 0.543 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.177 2.873 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.449 1.829 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.106 1.116 0.598 1.00 0.00 H new ATOM 132 N TYR A 10 -1.973 2.006 -1.023 1.00 0.00 N ATOM 133 CA TYR A 10 -1.060 1.545 -2.061 1.00 0.00 C ATOM 134 C TYR A 10 -0.035 2.615 -2.435 1.00 0.00 C ATOM 135 O TYR A 10 1.035 2.297 -2.952 1.00 0.00 O ATOM 136 CB TYR A 10 -1.831 1.127 -3.317 1.00 0.00 C ATOM 137 CG TYR A 10 -2.657 -0.131 -3.157 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.025 -0.067 -2.930 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.069 -1.384 -3.259 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.780 -1.210 -2.809 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.819 -2.536 -3.134 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.177 -2.442 -2.910 1.00 0.00 C ATOM 143 OH TYR A 10 -4.943 -3.580 -2.795 1.00 0.00 O ATOM 0 H TYR A 10 -2.910 2.232 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.529 0.685 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.490 1.944 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.121 0.979 -4.131 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.505 0.897 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.007 -1.459 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.844 -1.140 -2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.346 -3.504 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.781 -3.461 -3.289 1.00 0.00 H new ATOM 153 N GLU A 11 -0.354 3.882 -2.204 1.00 0.00 N ATOM 154 CA GLU A 11 0.576 4.942 -2.547 1.00 0.00 C ATOM 155 C GLU A 11 1.705 5.021 -1.519 1.00 0.00 C ATOM 156 O GLU A 11 2.875 5.039 -1.882 1.00 0.00 O ATOM 157 CB GLU A 11 -0.137 6.303 -2.699 1.00 0.00 C ATOM 158 CG GLU A 11 -0.353 7.061 -1.403 1.00 0.00 C ATOM 159 CD GLU A 11 -0.863 8.466 -1.634 1.00 0.00 C ATOM 160 OE1 GLU A 11 -2.022 8.620 -2.065 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.102 9.427 -1.387 1.00 0.00 O ATOM 0 H GLU A 11 -1.232 4.194 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 11 1.012 4.699 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.446 6.928 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.105 6.138 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.064 6.517 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.585 7.104 -0.850 1.00 0.00 H new ATOM 168 N GLN A 12 1.361 5.012 -0.234 1.00 0.00 N ATOM 169 CA GLN A 12 2.348 5.236 0.810 1.00 0.00 C ATOM 170 C GLN A 12 3.222 4.011 1.025 1.00 0.00 C ATOM 171 O GLN A 12 4.367 4.137 1.454 1.00 0.00 O ATOM 172 CB GLN A 12 1.662 5.637 2.122 1.00 0.00 C ATOM 173 CG GLN A 12 0.844 6.911 2.011 1.00 0.00 C ATOM 174 CD GLN A 12 1.663 8.178 2.176 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.147 9.203 2.619 1.00 0.00 O ATOM 176 NE2 GLN A 12 2.939 8.126 1.836 1.00 0.00 N ATOM 0 H GLN A 12 0.412 4.853 0.105 1.00 0.00 H new ATOM 0 HA GLN A 12 2.992 6.053 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.012 4.824 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.420 5.767 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.350 6.932 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.059 6.895 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.335 7.259 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.528 8.952 1.938 1.00 0.00 H new ATOM 185 N CYS A 13 2.699 2.835 0.704 1.00 0.00 N ATOM 186 CA CYS A 13 3.421 1.594 0.950 1.00 0.00 C ATOM 187 C CYS A 13 4.755 1.578 0.199 1.00 0.00 C ATOM 188 O CYS A 13 5.813 1.411 0.808 1.00 0.00 O ATOM 189 CB CYS A 13 2.553 0.382 0.562 1.00 0.00 C ATOM 190 SG CYS A 13 2.196 0.242 -1.218 1.00 0.00 S ATOM 0 H CYS A 13 1.782 2.714 0.275 1.00 0.00 H new ATOM 0 HA CYS A 13 3.641 1.530 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.055 -0.528 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.609 0.439 1.105 1.00 0.00 H new ATOM 195 N ASN A 14 4.714 1.779 -1.114 1.00 0.00 N ATOM 196 CA ASN A 14 5.939 1.801 -1.913 1.00 0.00 C ATOM 197 C ASN A 14 6.738 3.083 -1.683 1.00 0.00 C ATOM 198 O ASN A 14 7.955 3.099 -1.859 1.00 0.00 O ATOM 199 CB ASN A 14 5.654 1.564 -3.413 1.00 0.00 C ATOM 200 CG ASN A 14 4.629 2.505 -4.047 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.832 2.077 -4.882 1.00 0.00 O ATOM 202 ND2 ASN A 14 4.660 3.785 -3.712 1.00 0.00 N ATOM 0 H ASN A 14 3.856 1.928 -1.645 1.00 0.00 H new ATOM 0 HA ASN A 14 6.557 0.970 -1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.592 1.654 -3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.307 0.539 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.014 4.442 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.330 4.114 -3.017 1.00 0.00 H new ATOM 209 N VAL A 15 6.052 4.157 -1.302 1.00 0.00 N ATOM 210 CA VAL A 15 6.725 5.410 -0.976 1.00 0.00 C ATOM 211 C VAL A 15 7.647 5.221 0.221 1.00 0.00 C ATOM 212 O VAL A 15 8.777 5.716 0.224 1.00 0.00 O ATOM 213 CB VAL A 15 5.721 6.553 -0.682 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.413 7.734 -0.006 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.047 7.017 -1.966 1.00 0.00 C ATOM 0 H VAL A 15 5.036 4.185 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 15 7.310 5.695 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 15 4.964 6.161 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.684 8.521 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.853 7.407 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.197 8.119 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.346 7.820 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.802 7.381 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.510 6.183 -2.417 1.00 0.00 H new ATOM 225 N ASN A 16 7.171 4.494 1.233 1.00 0.00 N ATOM 226 CA ASN A 16 7.986 4.251 2.414 1.00 0.00 C ATOM 227 C ASN A 16 9.117 3.293 2.069 1.00 0.00 C ATOM 228 O ASN A 16 10.256 3.723 1.897 1.00 0.00 O ATOM 229 CB ASN A 16 7.143 3.669 3.560 1.00 0.00 C ATOM 230 CG ASN A 16 5.991 4.563 3.985 1.00 0.00 C ATOM 231 OD1 ASN A 16 4.967 4.079 4.473 1.00 0.00 O ATOM 232 ND2 ASN A 16 6.140 5.864 3.811 1.00 0.00 N ATOM 0 H ASN A 16 6.243 4.072 1.256 1.00 0.00 H new ATOM 0 HA ASN A 16 8.400 5.203 2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.746 2.702 3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.789 3.490 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.394 6.504 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.001 6.229 3.404 1.00 0.00 H new ATOM 239 N LYS A 17 8.783 2.002 1.952 1.00 0.00 N ATOM 240 CA LYS A 17 9.685 0.992 1.398 1.00 0.00 C ATOM 241 C LYS A 17 9.046 -0.407 1.510 1.00 0.00 C ATOM 242 O LYS A 17 9.294 -1.141 2.465 1.00 0.00 O ATOM 243 CB LYS A 17 11.088 1.019 2.074 1.00 0.00 C ATOM 244 CG LYS A 17 11.144 0.582 3.542 1.00 0.00 C ATOM 245 CD LYS A 17 10.359 1.516 4.463 1.00 0.00 C ATOM 246 CE LYS A 17 10.321 0.984 5.885 1.00 0.00 C ATOM 247 NZ LYS A 17 9.397 1.765 6.745 1.00 0.00 N ATOM 0 H LYS A 17 7.878 1.631 2.240 1.00 0.00 H new ATOM 0 HA LYS A 17 9.840 1.229 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.756 0.377 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.482 2.033 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.747 -0.429 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.184 0.546 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.815 2.506 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.342 1.630 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.010 -0.061 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.324 1.013 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.400 1.370 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.708 2.757 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.434 1.716 6.354 1.00 0.00 H new ATOM 261 N VAL A 18 8.216 -0.799 0.545 1.00 0.00 N ATOM 262 CA VAL A 18 7.659 -2.150 0.569 1.00 0.00 C ATOM 263 C VAL A 18 7.519 -2.693 -0.853 1.00 0.00 C ATOM 264 O VAL A 18 7.213 -1.946 -1.787 1.00 0.00 O ATOM 265 CB VAL A 18 6.270 -2.247 1.284 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.170 -1.318 2.490 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.131 -2.004 0.310 1.00 0.00 C ATOM 0 H VAL A 18 7.921 -0.220 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 18 8.364 -2.748 1.147 1.00 0.00 H new ATOM 0 HB VAL A 18 6.182 -3.266 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.188 -1.424 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.940 -1.579 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.311 -0.286 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.180 -2.078 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.229 -1.009 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.165 -2.750 -0.484 1.00 0.00 H new ATOM 277 N PRO A 19 7.785 -3.992 -1.036 1.00 0.00 N ATOM 278 CA PRO A 19 7.481 -4.697 -2.283 1.00 0.00 C ATOM 279 C PRO A 19 5.971 -4.795 -2.508 1.00 0.00 C ATOM 280 O PRO A 19 5.207 -4.735 -1.539 1.00 0.00 O ATOM 281 CB PRO A 19 8.078 -6.096 -2.077 1.00 0.00 C ATOM 282 CG PRO A 19 8.995 -5.973 -0.908 1.00 0.00 C ATOM 283 CD PRO A 19 8.430 -4.872 -0.056 1.00 0.00 C ATOM 0 HA PRO A 19 7.887 -4.184 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.296 -6.831 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.617 -6.427 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.047 -6.909 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.009 -5.736 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.717 -5.253 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.210 -4.352 0.501 1.00 0.00 H new ATOM 291 N PHE A 20 5.530 -4.927 -3.757 1.00 0.00 N ATOM 292 CA PHE A 20 4.094 -4.943 -4.057 1.00 0.00 C ATOM 293 C PHE A 20 3.356 -5.987 -3.219 1.00 0.00 C ATOM 294 O PHE A 20 2.279 -5.708 -2.687 1.00 0.00 O ATOM 295 CB PHE A 20 3.828 -5.196 -5.546 1.00 0.00 C ATOM 296 CG PHE A 20 2.370 -5.109 -5.902 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.778 -3.882 -6.147 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.590 -6.253 -5.980 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.437 -3.794 -6.466 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.247 -6.171 -6.298 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.330 -4.940 -6.542 1.00 0.00 C ATOM 0 H PHE A 20 6.136 -5.024 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 20 3.713 -3.955 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.385 -4.470 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.204 -6.183 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.372 -2.982 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.036 -7.218 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.011 -2.830 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.350 -7.069 -6.356 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.379 -4.874 -6.792 1.00 0.00 H new ATOM 311 N ASP A 21 3.944 -7.171 -3.080 1.00 0.00 N ATOM 312 CA ASP A 21 3.313 -8.253 -2.324 1.00 0.00 C ATOM 313 C ASP A 21 3.049 -7.819 -0.885 1.00 0.00 C ATOM 314 O ASP A 21 1.990 -8.109 -0.329 1.00 0.00 O ATOM 315 CB ASP A 21 4.166 -9.532 -2.346 1.00 0.00 C ATOM 316 CG ASP A 21 5.468 -9.404 -1.580 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.413 -8.785 -2.106 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.554 -9.933 -0.449 1.00 0.00 O ATOM 0 H ASP A 21 4.853 -7.407 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 21 2.362 -8.478 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.586 -10.353 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.387 -9.794 -3.381 1.00 0.00 H new ATOM 323 N GLN A 22 4.000 -7.100 -0.294 1.00 0.00 N ATOM 324 CA GLN A 22 3.830 -6.559 1.048 1.00 0.00 C ATOM 325 C GLN A 22 2.721 -5.512 1.066 1.00 0.00 C ATOM 326 O GLN A 22 1.912 -5.466 1.994 1.00 0.00 O ATOM 327 CB GLN A 22 5.131 -5.942 1.555 1.00 0.00 C ATOM 328 CG GLN A 22 4.991 -5.308 2.929 1.00 0.00 C ATOM 329 CD GLN A 22 4.638 -6.311 4.013 1.00 0.00 C ATOM 330 OE1 GLN A 22 3.952 -5.975 4.979 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.105 -7.542 3.869 1.00 0.00 N ATOM 0 H GLN A 22 4.897 -6.879 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 22 3.554 -7.381 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.901 -6.712 1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.470 -5.187 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.926 -4.812 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.221 -4.537 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.670 -7.781 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.900 -8.251 4.573 1.00 0.00 H new ATOM 340 N CYS A 23 2.684 -4.678 0.033 1.00 0.00 N ATOM 341 CA CYS A 23 1.640 -3.659 -0.079 1.00 0.00 C ATOM 342 C CYS A 23 0.279 -4.335 -0.157 1.00 0.00 C ATOM 343 O CYS A 23 -0.671 -3.937 0.520 1.00 0.00 O ATOM 344 CB CYS A 23 1.855 -2.763 -1.312 1.00 0.00 C ATOM 345 SG CYS A 23 0.834 -1.257 -1.320 1.00 0.00 S ATOM 0 H CYS A 23 3.357 -4.684 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 23 1.687 -3.023 0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.906 -2.477 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.639 -3.341 -2.210 1.00 0.00 H new ATOM 350 N TYR A 24 0.210 -5.390 -0.959 1.00 0.00 N ATOM 351 CA TYR A 24 -1.009 -6.165 -1.111 1.00 0.00 C ATOM 352 C TYR A 24 -1.413 -6.796 0.218 1.00 0.00 C ATOM 353 O TYR A 24 -2.590 -6.966 0.485 1.00 0.00 O ATOM 354 CB TYR A 24 -0.814 -7.256 -2.171 1.00 0.00 C ATOM 355 CG TYR A 24 -2.100 -7.906 -2.624 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.788 -7.419 -3.725 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.619 -9.009 -1.959 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.957 -8.012 -4.153 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.790 -9.607 -2.379 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.456 -9.106 -3.477 1.00 0.00 C ATOM 361 OH TYR A 24 -5.622 -9.704 -3.906 1.00 0.00 O ATOM 0 H TYR A 24 0.993 -5.729 -1.518 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.805 -5.494 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.313 -6.822 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.152 -8.024 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.402 -6.561 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.098 -9.405 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.480 -7.622 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.182 -10.463 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.835 -10.461 -3.322 1.00 0.00 H new ATOM 371 N GLN A 25 -0.438 -7.115 1.061 1.00 0.00 N ATOM 372 CA GLN A 25 -0.730 -7.789 2.326 1.00 0.00 C ATOM 373 C GLN A 25 -1.438 -6.846 3.288 1.00 0.00 C ATOM 374 O GLN A 25 -2.352 -7.245 4.008 1.00 0.00 O ATOM 375 CB GLN A 25 0.545 -8.338 2.989 1.00 0.00 C ATOM 376 CG GLN A 25 1.171 -9.532 2.257 1.00 0.00 C ATOM 377 CD GLN A 25 0.146 -10.576 1.865 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.160 -11.485 2.634 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.377 -10.463 0.655 1.00 0.00 N ATOM 0 H GLN A 25 0.550 -6.922 0.898 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.384 -8.630 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.282 -7.537 3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.310 -8.635 4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.684 -9.177 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.925 -9.991 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.096 -9.693 0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.061 -11.146 0.329 1.00 0.00 H new ATOM 388 N MET A 26 -1.021 -5.592 3.285 1.00 0.00 N ATOM 389 CA MET A 26 -1.580 -4.603 4.193 1.00 0.00 C ATOM 390 C MET A 26 -2.886 -4.015 3.656 1.00 0.00 C ATOM 391 O MET A 26 -3.832 -3.789 4.413 1.00 0.00 O ATOM 392 CB MET A 26 -0.550 -3.493 4.431 1.00 0.00 C ATOM 393 CG MET A 26 -1.118 -2.231 5.068 1.00 0.00 C ATOM 394 SD MET A 26 0.140 -0.961 5.331 1.00 0.00 S ATOM 395 CE MET A 26 0.857 -0.807 3.692 1.00 0.00 C ATOM 0 H MET A 26 -0.296 -5.233 2.663 1.00 0.00 H new ATOM 0 HA MET A 26 -1.813 -5.096 5.137 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.243 -3.882 5.069 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.092 -3.229 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.907 -1.830 4.431 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.578 -2.485 6.023 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.217 0.211 3.547 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.689 -1.504 3.592 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.100 -1.035 2.941 1.00 0.00 H new ATOM 405 N CYS A 27 -2.942 -3.772 2.356 1.00 0.00 N ATOM 406 CA CYS A 27 -4.101 -3.109 1.764 1.00 0.00 C ATOM 407 C CYS A 27 -5.224 -4.090 1.402 1.00 0.00 C ATOM 408 O CYS A 27 -6.355 -3.662 1.165 1.00 0.00 O ATOM 409 CB CYS A 27 -3.678 -2.311 0.526 1.00 0.00 C ATOM 410 SG CYS A 27 -2.277 -1.181 0.823 1.00 0.00 S ATOM 0 H CYS A 27 -2.208 -4.020 1.693 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.500 -2.432 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.410 -3.007 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.530 -1.733 0.169 1.00 0.00 H new ATOM 415 N SER A 28 -4.935 -5.393 1.369 1.00 0.00 N ATOM 416 CA SER A 28 -5.955 -6.383 1.009 1.00 0.00 C ATOM 417 C SER A 28 -7.179 -6.356 1.947 1.00 0.00 C ATOM 418 O SER A 28 -8.304 -6.263 1.457 1.00 0.00 O ATOM 419 CB SER A 28 -5.360 -7.797 0.889 1.00 0.00 C ATOM 420 OG SER A 28 -4.441 -8.077 1.931 1.00 0.00 O ATOM 0 H SER A 28 -4.018 -5.784 1.584 1.00 0.00 H new ATOM 0 HA SER A 28 -6.322 -6.096 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.165 -8.532 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.859 -7.899 -0.074 1.00 0.00 H new ATOM 0 HG SER A 28 -3.535 -7.841 1.641 1.00 0.00 H new ATOM 426 N PRO A 29 -7.009 -6.413 3.295 1.00 0.00 N ATOM 427 CA PRO A 29 -8.149 -6.352 4.230 1.00 0.00 C ATOM 428 C PRO A 29 -8.929 -5.039 4.135 1.00 0.00 C ATOM 429 O PRO A 29 -10.023 -4.906 4.684 1.00 0.00 O ATOM 430 CB PRO A 29 -7.494 -6.474 5.612 1.00 0.00 C ATOM 431 CG PRO A 29 -6.184 -7.130 5.348 1.00 0.00 C ATOM 432 CD PRO A 29 -5.737 -6.595 4.015 1.00 0.00 C ATOM 0 HA PRO A 29 -8.879 -7.132 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.362 -5.497 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.106 -7.069 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.461 -6.895 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.285 -8.215 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.192 -5.657 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.076 -7.292 3.500 1.00 0.00 H new ATOM 440 N LEU A 30 -8.348 -4.065 3.455 1.00 0.00 N ATOM 441 CA LEU A 30 -8.977 -2.768 3.269 1.00 0.00 C ATOM 442 C LEU A 30 -9.783 -2.772 1.976 1.00 0.00 C ATOM 443 O LEU A 30 -11.010 -2.682 1.988 1.00 0.00 O ATOM 444 CB LEU A 30 -7.902 -1.667 3.221 1.00 0.00 C ATOM 445 CG LEU A 30 -8.368 -0.221 3.508 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.201 0.739 3.338 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.516 0.204 2.599 1.00 0.00 C ATOM 0 H LEU A 30 -7.430 -4.150 3.018 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.647 -2.568 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.123 -1.922 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.442 -1.685 2.233 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.731 -0.192 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.534 1.757 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.406 0.472 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.825 0.678 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.809 1.226 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.195 0.152 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.366 -0.462 2.750 1.00 0.00 H new ATOM 459 N GLU A 31 -9.071 -2.894 0.865 1.00 0.00 N ATOM 460 CA GLU A 31 -9.662 -2.717 -0.459 1.00 0.00 C ATOM 461 C GLU A 31 -10.553 -3.896 -0.848 1.00 0.00 C ATOM 462 O GLU A 31 -11.723 -3.712 -1.181 1.00 0.00 O ATOM 463 CB GLU A 31 -8.560 -2.519 -1.510 1.00 0.00 C ATOM 464 CG GLU A 31 -9.087 -2.201 -2.904 1.00 0.00 C ATOM 465 CD GLU A 31 -7.978 -2.076 -3.926 1.00 0.00 C ATOM 466 OE1 GLU A 31 -7.376 -3.111 -4.288 1.00 0.00 O ATOM 467 OE2 GLU A 31 -7.706 -0.943 -4.378 1.00 0.00 O ATOM 0 H GLU A 31 -8.076 -3.116 0.852 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.290 -1.827 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.904 -1.710 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.952 -3.422 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.778 -2.984 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.654 -1.271 -2.872 1.00 0.00 H new ATOM 474 N ARG A 32 -10.007 -5.100 -0.796 1.00 0.00 N ATOM 475 CA ARG A 32 -10.736 -6.280 -1.251 1.00 0.00 C ATOM 476 C ARG A 32 -10.718 -7.369 -0.191 1.00 0.00 C ATOM 477 O ARG A 32 -9.837 -8.234 -0.185 1.00 0.00 O ATOM 478 CB ARG A 32 -10.143 -6.831 -2.563 1.00 0.00 C ATOM 479 CG ARG A 32 -10.264 -5.899 -3.783 1.00 0.00 C ATOM 480 CD ARG A 32 -11.705 -5.715 -4.250 1.00 0.00 C ATOM 481 NE ARG A 32 -12.450 -6.976 -4.266 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.579 -7.166 -4.944 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.088 -6.189 -5.680 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.195 -8.339 -4.887 1.00 0.00 N ATOM 0 H ARG A 32 -9.068 -5.289 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.766 -5.975 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.089 -7.054 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.636 -7.775 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.841 -4.926 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.671 -6.304 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.209 -5.006 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.708 -5.281 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.080 -7.757 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.614 -5.287 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.954 -6.339 -6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.803 -9.094 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.061 -8.486 -5.406 1.00 0.00 H new ATOM 498 N SER A 33 -11.686 -7.318 0.705 1.00 0.00 N ATOM 499 CA SER A 33 -11.827 -8.332 1.731 1.00 0.00 C ATOM 500 C SER A 33 -13.190 -9.005 1.606 1.00 0.00 C ATOM 501 CB SER A 33 -11.643 -7.706 3.122 1.00 0.00 C ATOM 502 OG SER A 33 -12.465 -6.558 3.285 1.00 0.00 O ATOM 0 H SER A 33 -12.390 -6.580 0.742 1.00 0.00 H new ATOM 0 HA SER A 33 -11.056 -9.091 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.886 -8.441 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.598 -7.431 3.264 1.00 0.00 H new ATOM 0 HG SER A 33 -11.945 -5.840 3.703 1.00 0.00 H new TER 508 SER A 33