USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=12 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 2 SER OG : rot -60:sc= 0 USER MOD Set 1.2: A 5 GLN :FLIP amide:sc= -0.0081 F(o=-1.1,f=-0.0081) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0416 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.3!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 0.542 (180deg=-0.368) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.38) USER MOD Single : A 14 ASN : amide:sc= 0.706 K(o=0.71,f=-0.48) USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc=-0.00592 (180deg=-0.255) USER MOD Single : A 22 GLN : amide:sc= -0.423 K(o=-0.42,f=-4.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.37) USER MOD Single : A 26 MET CE :methyl 149:sc= -0.361 (180deg=-0.987) USER MOD Single : A 28 SER OG : rot 153:sc= 0.0374 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.113 3.204 1.149 1.00 0.00 N ATOM 2 CA ALA A 1 -16.871 2.909 0.402 1.00 0.00 C ATOM 3 C ALA A 1 -16.003 4.155 0.302 1.00 0.00 C ATOM 4 O ALA A 1 -16.513 5.276 0.255 1.00 0.00 O ATOM 5 CB ALA A 1 -17.194 2.379 -0.986 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.035 2.827 2.115 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.258 4.233 1.190 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.921 2.760 0.668 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.319 2.142 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.267 2.168 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.779 1.463 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.768 3.125 -1.536 1.00 0.00 H new ATOM 10 N SER A 2 -14.696 3.954 0.264 1.00 0.00 N ATOM 11 CA SER A 2 -13.751 5.057 0.177 1.00 0.00 C ATOM 12 C SER A 2 -12.471 4.579 -0.513 1.00 0.00 C ATOM 13 O SER A 2 -11.426 4.444 0.129 1.00 0.00 O ATOM 14 CB SER A 2 -13.433 5.602 1.581 1.00 0.00 C ATOM 15 OG SER A 2 -12.838 6.890 1.510 1.00 0.00 O ATOM 0 H SER A 2 -14.262 3.031 0.292 1.00 0.00 H new ATOM 0 HA SER A 2 -14.193 5.863 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.349 5.654 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.761 4.916 2.097 1.00 0.00 H new ATOM 0 HG SER A 2 -12.002 6.837 1.001 1.00 0.00 H new ATOM 21 N PRO A 3 -12.538 4.311 -1.838 1.00 0.00 N ATOM 22 CA PRO A 3 -11.398 3.790 -2.614 1.00 0.00 C ATOM 23 C PRO A 3 -10.127 4.635 -2.488 1.00 0.00 C ATOM 24 O PRO A 3 -9.022 4.137 -2.709 1.00 0.00 O ATOM 25 CB PRO A 3 -11.904 3.818 -4.056 1.00 0.00 C ATOM 26 CG PRO A 3 -13.376 3.686 -3.931 1.00 0.00 C ATOM 27 CD PRO A 3 -13.743 4.461 -2.685 1.00 0.00 C ATOM 0 HA PRO A 3 -11.105 2.803 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.629 4.747 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.480 3.003 -4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.883 4.089 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.671 2.640 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.954 5.507 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.631 4.053 -2.202 1.00 0.00 H new ATOM 35 N GLN A 4 -10.283 5.903 -2.122 1.00 0.00 N ATOM 36 CA GLN A 4 -9.135 6.794 -1.966 1.00 0.00 C ATOM 37 C GLN A 4 -8.244 6.342 -0.819 1.00 0.00 C ATOM 38 O GLN A 4 -7.036 6.567 -0.836 1.00 0.00 O ATOM 39 CB GLN A 4 -9.577 8.240 -1.740 1.00 0.00 C ATOM 40 CG GLN A 4 -10.156 8.913 -2.985 1.00 0.00 C ATOM 41 CD GLN A 4 -9.116 9.139 -4.073 1.00 0.00 C ATOM 42 OE1 GLN A 4 -8.155 8.380 -4.203 1.00 0.00 O ATOM 43 NE2 GLN A 4 -9.298 10.184 -4.868 1.00 0.00 N ATOM 0 H GLN A 4 -11.186 6.336 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.565 6.748 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.324 8.261 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.723 8.820 -1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.963 8.297 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.594 9.870 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.105 10.793 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.631 10.379 -5.615 1.00 0.00 H new ATOM 52 N GLN A 5 -8.844 5.690 0.165 1.00 0.00 N ATOM 53 CA GLN A 5 -8.085 5.164 1.296 1.00 0.00 C ATOM 54 C GLN A 5 -7.200 4.014 0.838 1.00 0.00 C ATOM 55 O GLN A 5 -6.058 3.875 1.275 1.00 0.00 O ATOM 56 CB GLN A 5 -9.011 4.696 2.424 1.00 0.00 C ATOM 57 CG GLN A 5 -9.763 5.826 3.121 1.00 0.00 C ATOM 58 CD GLN A 5 -10.610 5.339 4.285 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.152 4.303 4.973 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -11.663 5.906 4.573 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.847 5.512 0.206 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.462 5.969 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.734 3.990 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.420 4.156 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.047 6.564 3.482 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.403 6.331 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.982 6.701 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.217 5.582 5.366 1.00 0.00 H new ATOM 69 N ALA A 6 -7.735 3.198 -0.057 1.00 0.00 N ATOM 70 CA ALA A 6 -6.973 2.110 -0.651 1.00 0.00 C ATOM 71 C ALA A 6 -5.850 2.666 -1.514 1.00 0.00 C ATOM 72 O ALA A 6 -4.716 2.192 -1.457 1.00 0.00 O ATOM 73 CB ALA A 6 -7.876 1.204 -1.474 1.00 0.00 C ATOM 0 H ALA A 6 -8.697 3.269 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.538 1.516 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.284 0.398 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.649 0.781 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.342 1.782 -2.272 1.00 0.00 H new ATOM 79 N LYS A 7 -6.173 3.692 -2.289 1.00 0.00 N ATOM 80 CA LYS A 7 -5.196 4.338 -3.156 1.00 0.00 C ATOM 81 C LYS A 7 -4.079 4.968 -2.321 1.00 0.00 C ATOM 82 O LYS A 7 -2.914 4.972 -2.721 1.00 0.00 O ATOM 83 CB LYS A 7 -5.885 5.394 -4.034 1.00 0.00 C ATOM 84 CG LYS A 7 -4.930 6.183 -4.911 1.00 0.00 C ATOM 85 CD LYS A 7 -4.203 5.283 -5.912 1.00 0.00 C ATOM 86 CE LYS A 7 -3.079 6.038 -6.613 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.098 6.581 -5.637 1.00 0.00 N ATOM 0 H LYS A 7 -7.108 4.097 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.750 3.587 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.622 4.901 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.430 6.087 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.483 6.953 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.199 6.694 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.795 4.414 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.911 4.910 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.570 5.372 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.499 6.854 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.195 6.766 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.464 7.467 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.948 5.890 -4.874 1.00 0.00 H new ATOM 101 N TYR A 8 -4.447 5.487 -1.155 1.00 0.00 N ATOM 102 CA TYR A 8 -3.482 6.059 -0.224 1.00 0.00 C ATOM 103 C TYR A 8 -2.594 4.961 0.354 1.00 0.00 C ATOM 104 O TYR A 8 -1.377 5.127 0.464 1.00 0.00 O ATOM 105 CB TYR A 8 -4.214 6.800 0.901 1.00 0.00 C ATOM 106 CG TYR A 8 -3.306 7.537 1.858 1.00 0.00 C ATOM 107 CD1 TYR A 8 -3.008 7.007 3.107 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.762 8.767 1.519 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.192 7.682 3.991 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.941 9.448 2.396 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.660 8.903 3.631 1.00 0.00 C ATOM 112 OH TYR A 8 -0.848 9.584 4.512 1.00 0.00 O ATOM 0 H TYR A 8 -5.413 5.523 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.852 6.769 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.909 7.513 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.810 6.082 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.422 6.051 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.984 9.199 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.971 7.257 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.521 10.403 2.116 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.556 10.426 4.104 1.00 0.00 H new ATOM 122 N CYS A 9 -3.212 3.838 0.705 1.00 0.00 N ATOM 123 CA CYS A 9 -2.493 2.697 1.265 1.00 0.00 C ATOM 124 C CYS A 9 -1.417 2.217 0.296 1.00 0.00 C ATOM 125 O CYS A 9 -0.251 2.077 0.670 1.00 0.00 O ATOM 126 CB CYS A 9 -3.471 1.554 1.590 1.00 0.00 C ATOM 127 SG CYS A 9 -2.736 0.159 2.510 1.00 0.00 S ATOM 0 H CYS A 9 -4.217 3.692 0.611 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.009 3.013 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.300 1.958 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.890 1.176 0.657 1.00 0.00 H new ATOM 132 N TYR A 10 -1.807 2.005 -0.957 1.00 0.00 N ATOM 133 CA TYR A 10 -0.879 1.532 -1.979 1.00 0.00 C ATOM 134 C TYR A 10 0.190 2.577 -2.292 1.00 0.00 C ATOM 135 O TYR A 10 1.342 2.229 -2.554 1.00 0.00 O ATOM 136 CB TYR A 10 -1.628 1.149 -3.263 1.00 0.00 C ATOM 137 CG TYR A 10 -2.349 -0.176 -3.176 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.725 -0.243 -2.990 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.647 -1.366 -3.290 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.376 -1.459 -2.919 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.288 -2.583 -3.220 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.653 -2.627 -3.034 1.00 0.00 C ATOM 143 OH TYR A 10 -4.294 -3.842 -2.960 1.00 0.00 O ATOM 0 H TYR A 10 -2.760 2.153 -1.289 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.384 0.646 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.351 1.931 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.918 1.112 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.294 0.670 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.577 -1.338 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.446 -1.495 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.723 -3.499 -3.310 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.639 -4.564 -3.061 1.00 0.00 H new ATOM 153 N GLU A 11 -0.188 3.852 -2.260 1.00 0.00 N ATOM 154 CA GLU A 11 0.742 4.932 -2.564 1.00 0.00 C ATOM 155 C GLU A 11 1.849 5.000 -1.516 1.00 0.00 C ATOM 156 O GLU A 11 3.035 5.024 -1.850 1.00 0.00 O ATOM 157 CB GLU A 11 0.014 6.278 -2.628 1.00 0.00 C ATOM 158 CG GLU A 11 0.841 7.382 -3.267 1.00 0.00 C ATOM 159 CD GLU A 11 1.249 7.057 -4.691 1.00 0.00 C ATOM 160 OE1 GLU A 11 2.367 6.534 -4.893 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.458 7.324 -5.619 1.00 0.00 O ATOM 0 H GLU A 11 -1.132 4.161 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 11 1.185 4.724 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.912 6.156 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.264 6.581 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.269 8.310 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.735 7.554 -2.667 1.00 0.00 H new ATOM 168 N GLN A 12 1.459 5.010 -0.246 1.00 0.00 N ATOM 169 CA GLN A 12 2.424 5.125 0.843 1.00 0.00 C ATOM 170 C GLN A 12 3.360 3.923 0.887 1.00 0.00 C ATOM 171 O GLN A 12 4.465 4.010 1.424 1.00 0.00 O ATOM 172 CB GLN A 12 1.722 5.309 2.188 1.00 0.00 C ATOM 173 CG GLN A 12 0.975 6.620 2.289 1.00 0.00 C ATOM 174 CD GLN A 12 1.899 7.823 2.213 1.00 0.00 C ATOM 175 OE1 GLN A 12 2.121 8.385 1.140 1.00 0.00 O ATOM 176 NE2 GLN A 12 2.471 8.207 3.344 1.00 0.00 N ATOM 0 H GLN A 12 0.487 4.940 0.055 1.00 0.00 H new ATOM 0 HA GLN A 12 3.026 6.013 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.024 4.486 2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.461 5.255 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.240 6.679 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.423 6.649 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.262 7.716 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.121 8.993 3.346 1.00 0.00 H new ATOM 185 N CYS A 13 2.925 2.813 0.304 1.00 0.00 N ATOM 186 CA CYS A 13 3.752 1.617 0.229 1.00 0.00 C ATOM 187 C CYS A 13 5.072 1.899 -0.488 1.00 0.00 C ATOM 188 O CYS A 13 6.145 1.594 0.035 1.00 0.00 O ATOM 189 CB CYS A 13 3.006 0.485 -0.485 1.00 0.00 C ATOM 190 SG CYS A 13 1.688 -0.293 0.495 1.00 0.00 S ATOM 0 H CYS A 13 2.004 2.717 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 13 3.973 1.308 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.573 0.878 -1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.726 -0.281 -0.773 1.00 0.00 H new ATOM 195 N ASN A 14 4.999 2.493 -1.673 1.00 0.00 N ATOM 196 CA ASN A 14 6.200 2.797 -2.436 1.00 0.00 C ATOM 197 C ASN A 14 6.863 4.066 -1.925 1.00 0.00 C ATOM 198 O ASN A 14 8.080 4.217 -2.031 1.00 0.00 O ATOM 199 CB ASN A 14 5.892 2.908 -3.937 1.00 0.00 C ATOM 200 CG ASN A 14 4.650 3.740 -4.238 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.553 3.192 -4.342 1.00 0.00 O ATOM 202 ND2 ASN A 14 4.793 5.058 -4.374 1.00 0.00 N ATOM 0 H ASN A 14 4.127 2.771 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 14 6.898 1.971 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.749 3.350 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.759 1.907 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.980 5.642 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.716 5.483 -4.282 1.00 0.00 H new ATOM 209 N VAL A 15 6.061 4.969 -1.367 1.00 0.00 N ATOM 210 CA VAL A 15 6.588 6.185 -0.764 1.00 0.00 C ATOM 211 C VAL A 15 7.591 5.844 0.330 1.00 0.00 C ATOM 212 O VAL A 15 8.693 6.393 0.360 1.00 0.00 O ATOM 213 CB VAL A 15 5.472 7.081 -0.175 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.067 8.209 0.663 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.597 7.663 -1.281 1.00 0.00 C ATOM 0 H VAL A 15 5.046 4.880 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 15 7.081 6.743 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 15 4.852 6.456 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.264 8.825 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.647 7.786 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.716 8.823 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.821 8.288 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.210 8.265 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.134 6.852 -1.843 1.00 0.00 H new ATOM 225 N ASN A 16 7.223 4.923 1.220 1.00 0.00 N ATOM 226 CA ASN A 16 8.122 4.562 2.306 1.00 0.00 C ATOM 227 C ASN A 16 9.176 3.581 1.801 1.00 0.00 C ATOM 228 O ASN A 16 10.287 3.992 1.462 1.00 0.00 O ATOM 229 CB ASN A 16 7.338 3.926 3.466 1.00 0.00 C ATOM 230 CG ASN A 16 6.208 4.795 3.987 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.375 6.105 3.930 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 5.188 4.286 4.453 1.00 0.00 N flip ATOM 0 H ASN A 16 6.332 4.427 1.210 1.00 0.00 H new ATOM 0 HA ASN A 16 8.611 5.467 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.928 2.972 3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.026 3.711 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.092 3.271 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.439 4.879 4.810 1.00 0.00 H new ATOM 239 N LYS A 17 8.799 2.300 1.709 1.00 0.00 N ATOM 240 CA LYS A 17 9.588 1.274 1.025 1.00 0.00 C ATOM 241 C LYS A 17 9.007 -0.116 1.303 1.00 0.00 C ATOM 242 O LYS A 17 9.430 -0.767 2.259 1.00 0.00 O ATOM 243 CB LYS A 17 11.061 1.287 1.446 1.00 0.00 C ATOM 244 CG LYS A 17 11.906 0.297 0.653 1.00 0.00 C ATOM 245 CD LYS A 17 13.390 0.463 0.951 1.00 0.00 C ATOM 246 CE LYS A 17 14.220 -0.579 0.210 1.00 0.00 C ATOM 247 NZ LYS A 17 14.003 -0.519 -1.261 1.00 0.00 N ATOM 0 H LYS A 17 7.931 1.946 2.111 1.00 0.00 H new ATOM 0 HA LYS A 17 9.538 1.502 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.464 2.291 1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.134 1.052 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.597 -0.720 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.730 0.440 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.713 1.463 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.561 0.372 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.277 -0.423 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.963 -1.574 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.734 -1.080 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.065 -0.905 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.058 0.469 -1.580 1.00 0.00 H new ATOM 261 N VAL A 18 8.050 -0.590 0.517 1.00 0.00 N ATOM 262 CA VAL A 18 7.572 -1.957 0.711 1.00 0.00 C ATOM 263 C VAL A 18 7.389 -2.645 -0.642 1.00 0.00 C ATOM 264 O VAL A 18 7.044 -1.996 -1.632 1.00 0.00 O ATOM 265 CB VAL A 18 6.238 -2.034 1.522 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.102 -0.874 2.503 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.039 -2.117 0.593 1.00 0.00 C ATOM 0 H VAL A 18 7.600 -0.071 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 18 8.333 -2.471 1.299 1.00 0.00 H new ATOM 0 HB VAL A 18 6.268 -2.950 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.161 -0.965 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.932 -0.895 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.115 0.069 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.124 -2.170 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.010 -1.233 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.121 -3.009 -0.029 1.00 0.00 H new ATOM 277 N PRO A 19 7.665 -3.956 -0.709 1.00 0.00 N ATOM 278 CA PRO A 19 7.370 -4.766 -1.894 1.00 0.00 C ATOM 279 C PRO A 19 5.866 -4.834 -2.161 1.00 0.00 C ATOM 280 O PRO A 19 5.066 -4.765 -1.226 1.00 0.00 O ATOM 281 CB PRO A 19 7.909 -6.159 -1.536 1.00 0.00 C ATOM 282 CG PRO A 19 8.831 -5.944 -0.384 1.00 0.00 C ATOM 283 CD PRO A 19 8.303 -4.745 0.352 1.00 0.00 C ATOM 0 HA PRO A 19 7.819 -4.351 -2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.098 -6.837 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.433 -6.606 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.856 -6.820 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.851 -5.773 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.591 -5.029 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.102 -4.189 0.842 1.00 0.00 H new ATOM 291 N PHE A 20 5.479 -4.975 -3.426 1.00 0.00 N ATOM 292 CA PHE A 20 4.062 -4.963 -3.794 1.00 0.00 C ATOM 293 C PHE A 20 3.285 -6.069 -3.078 1.00 0.00 C ATOM 294 O PHE A 20 2.171 -5.842 -2.609 1.00 0.00 O ATOM 295 CB PHE A 20 3.879 -5.100 -5.310 1.00 0.00 C ATOM 296 CG PHE A 20 2.458 -4.891 -5.751 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.988 -3.618 -6.031 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.588 -5.965 -5.878 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.680 -3.420 -6.430 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.280 -5.771 -6.277 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.175 -4.497 -6.554 1.00 0.00 C ATOM 0 H PHE A 20 6.120 -5.098 -4.210 1.00 0.00 H new ATOM 0 HA PHE A 20 3.662 -4.000 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.520 -4.377 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.208 -6.091 -5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.651 -2.771 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.938 -6.964 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.326 -2.422 -6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.387 -6.615 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.197 -4.343 -6.867 1.00 0.00 H new ATOM 311 N ASP A 21 3.879 -7.255 -2.983 1.00 0.00 N ATOM 312 CA ASP A 21 3.224 -8.391 -2.333 1.00 0.00 C ATOM 313 C ASP A 21 2.944 -8.078 -0.865 1.00 0.00 C ATOM 314 O ASP A 21 1.903 -8.457 -0.330 1.00 0.00 O ATOM 315 CB ASP A 21 4.068 -9.670 -2.456 1.00 0.00 C ATOM 316 CG ASP A 21 5.334 -9.639 -1.622 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.231 -8.823 -1.917 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.443 -10.442 -0.671 1.00 0.00 O ATOM 0 H ASP A 21 4.811 -7.457 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 21 2.276 -8.565 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.464 -10.525 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.335 -9.821 -3.502 1.00 0.00 H new ATOM 323 N GLN A 22 3.873 -7.374 -0.228 1.00 0.00 N ATOM 324 CA GLN A 22 3.680 -6.903 1.137 1.00 0.00 C ATOM 325 C GLN A 22 2.545 -5.886 1.190 1.00 0.00 C ATOM 326 O GLN A 22 1.694 -5.930 2.080 1.00 0.00 O ATOM 327 CB GLN A 22 4.970 -6.277 1.674 1.00 0.00 C ATOM 328 CG GLN A 22 4.788 -5.563 3.004 1.00 0.00 C ATOM 329 CD GLN A 22 4.589 -6.506 4.176 1.00 0.00 C ATOM 330 OE1 GLN A 22 4.059 -7.609 4.032 1.00 0.00 O ATOM 331 NE2 GLN A 22 5.010 -6.073 5.353 1.00 0.00 N ATOM 0 H GLN A 22 4.771 -7.116 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 22 3.418 -7.756 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.723 -7.057 1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.354 -5.569 0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.661 -4.939 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.929 -4.896 2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.444 -5.153 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.900 -6.659 6.181 1.00 0.00 H new ATOM 340 N CYS A 23 2.529 -4.980 0.218 1.00 0.00 N ATOM 341 CA CYS A 23 1.494 -3.950 0.158 1.00 0.00 C ATOM 342 C CYS A 23 0.128 -4.589 -0.033 1.00 0.00 C ATOM 343 O CYS A 23 -0.847 -4.209 0.618 1.00 0.00 O ATOM 344 CB CYS A 23 1.754 -2.949 -0.974 1.00 0.00 C ATOM 345 SG CYS A 23 0.729 -1.447 -0.869 1.00 0.00 S ATOM 0 H CYS A 23 3.215 -4.936 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 23 1.518 -3.408 1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.806 -2.663 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.569 -3.439 -1.930 1.00 0.00 H new ATOM 350 N TYR A 24 0.071 -5.579 -0.915 1.00 0.00 N ATOM 351 CA TYR A 24 -1.164 -6.294 -1.179 1.00 0.00 C ATOM 352 C TYR A 24 -1.667 -6.975 0.091 1.00 0.00 C ATOM 353 O TYR A 24 -2.866 -7.080 0.312 1.00 0.00 O ATOM 354 CB TYR A 24 -0.957 -7.331 -2.288 1.00 0.00 C ATOM 355 CG TYR A 24 -2.249 -7.844 -2.869 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.827 -7.218 -3.963 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.893 -8.944 -2.323 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.012 -7.674 -4.498 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.079 -9.407 -2.853 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.637 -8.768 -3.941 1.00 0.00 C ATOM 361 OH TYR A 24 -5.822 -9.225 -4.474 1.00 0.00 O ATOM 0 H TYR A 24 0.870 -5.903 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.913 -5.575 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.359 -6.888 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.386 -8.170 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.341 -6.360 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.459 -9.445 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.449 -7.176 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.569 -10.266 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.130 -10.004 -3.966 1.00 0.00 H new ATOM 371 N GLN A 25 -0.746 -7.397 0.947 1.00 0.00 N ATOM 372 CA GLN A 25 -1.121 -8.109 2.164 1.00 0.00 C ATOM 373 C GLN A 25 -1.784 -7.168 3.162 1.00 0.00 C ATOM 374 O GLN A 25 -2.641 -7.580 3.944 1.00 0.00 O ATOM 375 CB GLN A 25 0.097 -8.779 2.812 1.00 0.00 C ATOM 376 CG GLN A 25 0.545 -10.066 2.114 1.00 0.00 C ATOM 377 CD GLN A 25 -0.565 -11.093 2.032 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.771 -11.878 2.959 1.00 0.00 O ATOM 379 NE2 GLN A 25 -1.272 -11.112 0.914 1.00 0.00 N ATOM 0 H GLN A 25 0.257 -7.261 0.824 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.834 -8.883 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.927 -8.073 2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.136 -9.005 3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.892 -9.829 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.392 -10.492 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.069 -10.444 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.020 -11.795 0.795 1.00 0.00 H new ATOM 388 N MET A 26 -1.384 -5.908 3.133 1.00 0.00 N ATOM 389 CA MET A 26 -1.930 -4.916 4.043 1.00 0.00 C ATOM 390 C MET A 26 -3.156 -4.212 3.455 1.00 0.00 C ATOM 391 O MET A 26 -4.185 -4.085 4.119 1.00 0.00 O ATOM 392 CB MET A 26 -0.846 -3.891 4.399 1.00 0.00 C ATOM 393 CG MET A 26 -1.381 -2.606 5.024 1.00 0.00 C ATOM 394 SD MET A 26 -0.077 -1.415 5.413 1.00 0.00 S ATOM 395 CE MET A 26 0.776 -1.277 3.840 1.00 0.00 C ATOM 0 H MET A 26 -0.681 -5.547 2.487 1.00 0.00 H new ATOM 0 HA MET A 26 -2.257 -5.432 4.946 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.140 -4.351 5.090 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.290 -3.638 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.094 -2.145 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.926 -2.851 5.936 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.189 -0.274 3.737 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.584 -2.008 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.074 -1.466 3.028 1.00 0.00 H new ATOM 405 N CYS A 27 -3.050 -3.760 2.214 1.00 0.00 N ATOM 406 CA CYS A 27 -4.092 -2.924 1.620 1.00 0.00 C ATOM 407 C CYS A 27 -5.264 -3.734 1.058 1.00 0.00 C ATOM 408 O CYS A 27 -6.370 -3.206 0.933 1.00 0.00 O ATOM 409 CB CYS A 27 -3.498 -2.032 0.525 1.00 0.00 C ATOM 410 SG CYS A 27 -2.036 -1.082 1.062 1.00 0.00 S ATOM 0 H CYS A 27 -2.260 -3.954 1.599 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.491 -2.306 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.223 -2.653 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.264 -1.338 0.180 1.00 0.00 H new ATOM 415 N SER A 28 -5.047 -5.006 0.723 1.00 0.00 N ATOM 416 CA SER A 28 -6.134 -5.824 0.170 1.00 0.00 C ATOM 417 C SER A 28 -7.282 -6.005 1.179 1.00 0.00 C ATOM 418 O SER A 28 -8.434 -5.780 0.822 1.00 0.00 O ATOM 419 CB SER A 28 -5.645 -7.185 -0.357 1.00 0.00 C ATOM 420 OG SER A 28 -6.676 -7.860 -1.060 1.00 0.00 O ATOM 0 H SER A 28 -4.152 -5.486 0.820 1.00 0.00 H new ATOM 0 HA SER A 28 -6.521 -5.272 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.788 -7.037 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.305 -7.800 0.476 1.00 0.00 H new ATOM 0 HG SER A 28 -6.280 -8.455 -1.730 1.00 0.00 H new ATOM 426 N PRO A 29 -7.013 -6.400 2.451 1.00 0.00 N ATOM 427 CA PRO A 29 -8.070 -6.506 3.480 1.00 0.00 C ATOM 428 C PRO A 29 -8.826 -5.189 3.707 1.00 0.00 C ATOM 429 O PRO A 29 -9.889 -5.167 4.324 1.00 0.00 O ATOM 430 CB PRO A 29 -7.301 -6.900 4.743 1.00 0.00 C ATOM 431 CG PRO A 29 -6.082 -7.585 4.234 1.00 0.00 C ATOM 432 CD PRO A 29 -5.704 -6.839 2.980 1.00 0.00 C ATOM 0 HA PRO A 29 -8.840 -7.219 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.045 -6.026 5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.892 -7.560 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.277 -7.554 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.280 -8.636 4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.050 -5.993 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.176 -7.479 2.273 1.00 0.00 H new ATOM 440 N LEU A 30 -8.260 -4.099 3.214 1.00 0.00 N ATOM 441 CA LEU A 30 -8.898 -2.790 3.277 1.00 0.00 C ATOM 442 C LEU A 30 -9.843 -2.646 2.087 1.00 0.00 C ATOM 443 O LEU A 30 -11.046 -2.440 2.246 1.00 0.00 O ATOM 444 CB LEU A 30 -7.817 -1.688 3.240 1.00 0.00 C ATOM 445 CG LEU A 30 -8.241 -0.260 3.647 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.054 0.680 3.506 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.403 0.261 2.810 1.00 0.00 C ATOM 0 H LEU A 30 -7.347 -4.095 2.759 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.465 -2.692 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.001 -1.996 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.416 -1.644 2.227 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.576 -0.300 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.352 1.688 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.244 0.343 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.714 0.683 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.663 1.268 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.114 0.282 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.265 -0.395 2.936 1.00 0.00 H new ATOM 459 N GLU A 31 -9.274 -2.771 0.900 1.00 0.00 N ATOM 460 CA GLU A 31 -10.008 -2.561 -0.346 1.00 0.00 C ATOM 461 C GLU A 31 -11.050 -3.656 -0.573 1.00 0.00 C ATOM 462 O GLU A 31 -12.096 -3.422 -1.183 1.00 0.00 O ATOM 463 CB GLU A 31 -9.030 -2.527 -1.528 1.00 0.00 C ATOM 464 CG GLU A 31 -9.680 -2.171 -2.857 1.00 0.00 C ATOM 465 CD GLU A 31 -8.738 -2.350 -4.026 1.00 0.00 C ATOM 466 OE1 GLU A 31 -8.004 -1.395 -4.357 1.00 0.00 O ATOM 467 OE2 GLU A 31 -8.732 -3.445 -4.626 1.00 0.00 O ATOM 0 H GLU A 31 -8.294 -3.020 0.768 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.529 -1.607 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.243 -1.804 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.551 -3.502 -1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.562 -2.795 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.023 -1.137 -2.825 1.00 0.00 H new ATOM 474 N ARG A 32 -10.762 -4.847 -0.075 1.00 0.00 N ATOM 475 CA ARG A 32 -11.637 -5.990 -0.286 1.00 0.00 C ATOM 476 C ARG A 32 -12.204 -6.441 1.050 1.00 0.00 C ATOM 477 O ARG A 32 -11.588 -6.228 2.096 1.00 0.00 O ATOM 478 CB ARG A 32 -10.883 -7.168 -0.951 1.00 0.00 C ATOM 479 CG ARG A 32 -9.939 -6.785 -2.112 1.00 0.00 C ATOM 480 CD ARG A 32 -10.627 -5.985 -3.215 1.00 0.00 C ATOM 481 NE ARG A 32 -11.865 -6.611 -3.675 1.00 0.00 N ATOM 482 CZ ARG A 32 -12.469 -6.305 -4.822 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.959 -5.367 -5.614 1.00 0.00 N ATOM 484 NH2 ARG A 32 -13.582 -6.932 -5.176 1.00 0.00 N ATOM 0 H ARG A 32 -9.929 -5.048 0.478 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.441 -5.684 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.300 -7.681 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.617 -7.882 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.107 -6.203 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.517 -7.693 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.846 -4.982 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.945 -5.875 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.291 -7.324 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.104 -4.881 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.423 -5.134 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.978 -7.650 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.043 -6.696 -6.055 1.00 0.00 H new ATOM 498 N SER A 33 -13.369 -7.054 1.020 1.00 0.00 N ATOM 499 CA SER A 33 -13.998 -7.550 2.232 1.00 0.00 C ATOM 500 C SER A 33 -14.091 -9.072 2.191 1.00 0.00 C ATOM 501 CB SER A 33 -15.381 -6.909 2.411 1.00 0.00 C ATOM 502 OG SER A 33 -16.099 -6.890 1.187 1.00 0.00 O ATOM 0 H SER A 33 -13.903 -7.222 0.168 1.00 0.00 H new ATOM 0 HA SER A 33 -13.387 -7.274 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.948 -7.463 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.268 -5.892 2.785 1.00 0.00 H new ATOM 0 HG SER A 33 -16.977 -6.478 1.329 1.00 0.00 H new TER 508 SER A 33