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 10 TYR OH : rot -158:sc= 1.19 USER MOD Set 1.2: A 28 SER OG : rot 149:sc= 2.4 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.0783 USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= 0.898 F(o=-2.2!,f=0.98) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc=-0.000367 F(o=-1,f=-0.00037) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0701 (180deg=-0.38) USER MOD Single : A 14 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.023) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0487 F(o=-1.3!,f=-0.049) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.401 X(o=0.4,f=-0.054) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.87) USER MOD Single : A 26 MET CE :methyl -147:sc= -0.189 (180deg=-0.852) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.430 0.100 0.462 1.00 0.00 N ATOM 2 CA ALA A 1 -16.185 1.354 -0.281 1.00 0.00 C ATOM 3 C ALA A 1 -15.194 2.240 0.467 1.00 0.00 C ATOM 4 O ALA A 1 -15.553 2.938 1.416 1.00 0.00 O ATOM 5 CB ALA A 1 -17.492 2.098 -0.515 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.107 -0.489 -0.064 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.535 -0.418 0.574 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.821 0.323 1.400 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.753 1.099 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.293 3.019 -1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.170 1.470 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.950 2.339 0.444 1.00 0.00 H new ATOM 10 N SER A 2 -13.944 2.198 0.036 1.00 0.00 N ATOM 11 CA SER A 2 -12.885 3.004 0.638 1.00 0.00 C ATOM 12 C SER A 2 -11.859 3.390 -0.436 1.00 0.00 C ATOM 13 O SER A 2 -10.674 3.085 -0.308 1.00 0.00 O ATOM 14 CB SER A 2 -12.213 2.210 1.775 1.00 0.00 C ATOM 15 OG SER A 2 -13.157 1.869 2.781 1.00 0.00 O ATOM 0 H SER A 2 -13.632 1.609 -0.736 1.00 0.00 H new ATOM 0 HA SER A 2 -13.310 3.916 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.760 1.304 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.408 2.802 2.211 1.00 0.00 H new ATOM 0 HG SER A 2 -12.710 1.364 3.492 1.00 0.00 H new ATOM 21 N PRO A 3 -12.313 4.078 -1.509 1.00 0.00 N ATOM 22 CA PRO A 3 -11.498 4.319 -2.713 1.00 0.00 C ATOM 23 C PRO A 3 -10.198 5.074 -2.443 1.00 0.00 C ATOM 24 O PRO A 3 -9.108 4.519 -2.596 1.00 0.00 O ATOM 25 CB PRO A 3 -12.410 5.149 -3.628 1.00 0.00 C ATOM 26 CG PRO A 3 -13.790 4.931 -3.116 1.00 0.00 C ATOM 27 CD PRO A 3 -13.655 4.684 -1.629 1.00 0.00 C ATOM 0 HA PRO A 3 -11.176 3.372 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.142 6.205 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.321 4.829 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.419 5.800 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.259 4.080 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.732 5.610 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.433 4.016 -1.259 1.00 0.00 H new ATOM 35 N GLN A 4 -10.313 6.334 -2.042 1.00 0.00 N ATOM 36 CA GLN A 4 -9.149 7.188 -1.849 1.00 0.00 C ATOM 37 C GLN A 4 -8.231 6.634 -0.766 1.00 0.00 C ATOM 38 O GLN A 4 -7.009 6.695 -0.886 1.00 0.00 O ATOM 39 CB GLN A 4 -9.593 8.610 -1.493 1.00 0.00 C ATOM 40 CG GLN A 4 -8.437 9.570 -1.236 1.00 0.00 C ATOM 41 CD GLN A 4 -8.901 10.961 -0.849 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.036 11.051 -0.176 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -8.235 11.954 -1.145 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.205 6.788 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.588 7.213 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.206 9.003 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.225 8.572 -0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.807 9.168 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.819 9.635 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.364 11.847 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.554 12.883 -0.870 1.00 0.00 H new ATOM 52 N GLN A 5 -8.822 6.075 0.279 1.00 0.00 N ATOM 53 CA GLN A 5 -8.042 5.508 1.374 1.00 0.00 C ATOM 54 C GLN A 5 -7.219 4.322 0.886 1.00 0.00 C ATOM 55 O GLN A 5 -6.052 4.171 1.249 1.00 0.00 O ATOM 56 CB GLN A 5 -8.939 5.071 2.534 1.00 0.00 C ATOM 57 CG GLN A 5 -9.607 6.221 3.282 1.00 0.00 C ATOM 58 CD GLN A 5 -10.469 5.743 4.436 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.078 4.645 5.066 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -11.477 6.367 4.765 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.833 6.001 0.394 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.371 6.288 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.712 4.406 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.343 4.492 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.841 6.897 3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.221 6.794 2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.745 7.208 4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.045 6.043 5.548 1.00 0.00 H new ATOM 69 N ALA A 6 -7.833 3.489 0.058 1.00 0.00 N ATOM 70 CA ALA A 6 -7.134 2.359 -0.535 1.00 0.00 C ATOM 71 C ALA A 6 -6.014 2.852 -1.439 1.00 0.00 C ATOM 72 O ALA A 6 -4.903 2.323 -1.411 1.00 0.00 O ATOM 73 CB ALA A 6 -8.098 1.470 -1.311 1.00 0.00 C ATOM 0 H ALA A 6 -8.811 3.574 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.699 1.763 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.552 0.632 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.867 1.092 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.566 2.049 -2.107 1.00 0.00 H new ATOM 79 N LYS A 7 -6.301 3.897 -2.210 1.00 0.00 N ATOM 80 CA LYS A 7 -5.313 4.473 -3.117 1.00 0.00 C ATOM 81 C LYS A 7 -4.150 5.066 -2.333 1.00 0.00 C ATOM 82 O LYS A 7 -2.997 4.981 -2.757 1.00 0.00 O ATOM 83 CB LYS A 7 -5.951 5.545 -4.009 1.00 0.00 C ATOM 84 CG LYS A 7 -7.038 5.012 -4.928 1.00 0.00 C ATOM 85 CD LYS A 7 -6.512 3.892 -5.830 1.00 0.00 C ATOM 86 CE LYS A 7 -7.612 3.338 -6.733 1.00 0.00 C ATOM 87 NZ LYS A 7 -8.787 2.873 -5.951 1.00 0.00 N ATOM 0 H LYS A 7 -7.209 4.362 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.934 3.675 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.374 6.326 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.173 6.011 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.870 4.639 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.426 5.824 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.693 4.271 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.105 3.089 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.926 4.108 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.216 2.510 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.385 2.268 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.462 2.331 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.338 3.695 -5.630 1.00 0.00 H new ATOM 101 N TYR A 8 -4.465 5.658 -1.188 1.00 0.00 N ATOM 102 CA TYR A 8 -3.457 6.219 -0.300 1.00 0.00 C ATOM 103 C TYR A 8 -2.565 5.112 0.252 1.00 0.00 C ATOM 104 O TYR A 8 -1.346 5.265 0.337 1.00 0.00 O ATOM 105 CB TYR A 8 -4.136 6.973 0.848 1.00 0.00 C ATOM 106 CG TYR A 8 -3.189 7.753 1.729 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.800 7.264 2.969 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.696 8.984 1.323 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.945 7.982 3.783 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.840 9.708 2.127 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.468 9.204 3.358 1.00 0.00 C ATOM 112 OH TYR A 8 -0.620 9.927 4.165 1.00 0.00 O ATOM 0 H TYR A 8 -5.422 5.762 -0.851 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.837 6.916 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.873 7.659 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.680 6.258 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.172 6.307 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.987 9.382 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.652 7.589 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.463 10.664 1.796 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.376 10.764 3.717 1.00 0.00 H new ATOM 122 N CYS A 9 -3.182 3.993 0.614 1.00 0.00 N ATOM 123 CA CYS A 9 -2.449 2.850 1.146 1.00 0.00 C ATOM 124 C CYS A 9 -1.482 2.308 0.096 1.00 0.00 C ATOM 125 O CYS A 9 -0.290 2.153 0.361 1.00 0.00 O ATOM 126 CB CYS A 9 -3.419 1.749 1.606 1.00 0.00 C ATOM 127 SG CYS A 9 -2.626 0.377 2.514 1.00 0.00 S ATOM 0 H CYS A 9 -4.190 3.853 0.549 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.874 3.180 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.182 2.197 2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.930 1.343 0.733 1.00 0.00 H new ATOM 132 N TYR A 10 -1.993 2.056 -1.110 1.00 0.00 N ATOM 133 CA TYR A 10 -1.169 1.531 -2.196 1.00 0.00 C ATOM 134 C TYR A 10 -0.119 2.544 -2.637 1.00 0.00 C ATOM 135 O TYR A 10 0.909 2.176 -3.199 1.00 0.00 O ATOM 136 CB TYR A 10 -2.029 1.136 -3.401 1.00 0.00 C ATOM 137 CG TYR A 10 -2.807 -0.146 -3.215 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.165 -0.127 -2.931 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.179 -1.379 -3.336 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.875 -1.298 -2.774 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.883 -2.556 -3.180 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.232 -2.508 -2.899 1.00 0.00 C ATOM 143 OH TYR A 10 -4.940 -3.673 -2.739 1.00 0.00 O ATOM 0 H TYR A 10 -2.971 2.207 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.664 0.645 -1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.729 1.944 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.385 1.033 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.674 0.820 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.122 -1.417 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.932 -1.266 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.381 -3.507 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.325 -4.400 -2.507 1.00 0.00 H new ATOM 153 N GLU A 11 -0.386 3.819 -2.407 1.00 0.00 N ATOM 154 CA GLU A 11 0.586 4.850 -2.721 1.00 0.00 C ATOM 155 C GLU A 11 1.710 4.850 -1.686 1.00 0.00 C ATOM 156 O GLU A 11 2.875 4.655 -2.029 1.00 0.00 O ATOM 157 CB GLU A 11 -0.080 6.232 -2.793 1.00 0.00 C ATOM 158 CG GLU A 11 0.874 7.347 -3.182 1.00 0.00 C ATOM 159 CD GLU A 11 0.248 8.715 -3.037 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.461 9.151 -3.968 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.467 9.364 -1.994 1.00 0.00 O ATOM 0 H GLU A 11 -1.260 4.162 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 11 1.011 4.631 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.896 6.195 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.521 6.464 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.767 7.291 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.195 7.204 -4.214 1.00 0.00 H new ATOM 168 N GLN A 12 1.355 5.006 -0.414 1.00 0.00 N ATOM 169 CA GLN A 12 2.348 5.227 0.624 1.00 0.00 C ATOM 170 C GLN A 12 3.133 3.965 0.944 1.00 0.00 C ATOM 171 O GLN A 12 4.251 4.048 1.444 1.00 0.00 O ATOM 172 CB GLN A 12 1.689 5.780 1.890 1.00 0.00 C ATOM 173 CG GLN A 12 1.033 7.128 1.680 1.00 0.00 C ATOM 174 CD GLN A 12 1.992 8.298 1.820 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.262 8.076 1.528 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.593 9.394 2.204 1.00 0.00 N flip ATOM 0 H GLN A 12 0.391 4.983 -0.082 1.00 0.00 H new ATOM 0 HA GLN A 12 3.056 5.962 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.941 5.070 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.440 5.867 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.584 7.154 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.223 7.245 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.606 9.530 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.249 10.168 2.306 1.00 0.00 H new ATOM 185 N CYS A 13 2.569 2.802 0.636 1.00 0.00 N ATOM 186 CA CYS A 13 3.232 1.543 0.941 1.00 0.00 C ATOM 187 C CYS A 13 4.595 1.480 0.249 1.00 0.00 C ATOM 188 O CYS A 13 5.621 1.265 0.896 1.00 0.00 O ATOM 189 CB CYS A 13 2.350 0.348 0.531 1.00 0.00 C ATOM 190 SG CYS A 13 2.068 0.192 -1.263 1.00 0.00 S ATOM 0 H CYS A 13 1.662 2.707 0.179 1.00 0.00 H new ATOM 0 HA CYS A 13 3.391 1.487 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.813 -0.570 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.385 0.437 1.031 1.00 0.00 H new ATOM 195 N ASN A 14 4.613 1.707 -1.059 1.00 0.00 N ATOM 196 CA ASN A 14 5.862 1.672 -1.814 1.00 0.00 C ATOM 197 C ASN A 14 6.654 2.969 -1.641 1.00 0.00 C ATOM 198 O ASN A 14 7.881 2.965 -1.739 1.00 0.00 O ATOM 199 CB ASN A 14 5.608 1.397 -3.305 1.00 0.00 C ATOM 200 CG ASN A 14 4.862 2.524 -4.011 1.00 0.00 C ATOM 201 OD1 ASN A 14 5.484 3.429 -4.561 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.532 2.491 -4.009 1.00 0.00 N ATOM 0 H ASN A 14 3.785 1.916 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 14 6.457 0.852 -1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.563 1.235 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.036 0.475 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.003 3.230 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.042 1.727 -3.544 1.00 0.00 H new ATOM 209 N VAL A 15 5.956 4.076 -1.389 1.00 0.00 N ATOM 210 CA VAL A 15 6.621 5.358 -1.159 1.00 0.00 C ATOM 211 C VAL A 15 7.473 5.303 0.107 1.00 0.00 C ATOM 212 O VAL A 15 8.536 5.924 0.178 1.00 0.00 O ATOM 213 CB VAL A 15 5.617 6.535 -1.059 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.321 7.819 -0.632 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.904 6.759 -2.387 1.00 0.00 C ATOM 0 H VAL A 15 4.938 4.111 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 15 7.260 5.538 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 15 4.878 6.270 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.594 8.629 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.786 7.672 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.087 8.075 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.206 7.590 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.638 6.990 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.358 5.857 -2.664 1.00 0.00 H new ATOM 225 N ASN A 16 7.011 4.563 1.112 1.00 0.00 N ATOM 226 CA ASN A 16 7.793 4.410 2.331 1.00 0.00 C ATOM 227 C ASN A 16 8.929 3.427 2.096 1.00 0.00 C ATOM 228 O ASN A 16 10.079 3.839 1.941 1.00 0.00 O ATOM 229 CB ASN A 16 6.917 3.937 3.502 1.00 0.00 C ATOM 230 CG ASN A 16 5.842 4.937 3.883 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.097 6.213 3.646 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.782 4.563 4.388 1.00 0.00 N flip ATOM 0 H ASN A 16 6.118 4.070 1.107 1.00 0.00 H new ATOM 0 HA ASN A 16 8.206 5.384 2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.446 2.990 3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.551 3.746 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.620 3.570 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.067 5.246 4.638 1.00 0.00 H new ATOM 239 N LYS A 17 8.595 2.136 2.038 1.00 0.00 N ATOM 240 CA LYS A 17 9.533 1.102 1.615 1.00 0.00 C ATOM 241 C LYS A 17 8.896 -0.279 1.767 1.00 0.00 C ATOM 242 O LYS A 17 9.076 -0.921 2.803 1.00 0.00 O ATOM 243 CB LYS A 17 10.832 1.146 2.440 1.00 0.00 C ATOM 244 CG LYS A 17 11.936 0.217 1.932 1.00 0.00 C ATOM 245 CD LYS A 17 12.776 0.864 0.819 1.00 0.00 C ATOM 246 CE LYS A 17 13.852 -0.085 0.315 1.00 0.00 C ATOM 247 NZ LYS A 17 14.673 0.532 -0.760 1.00 0.00 N ATOM 0 H LYS A 17 7.670 1.782 2.282 1.00 0.00 H new ATOM 0 HA LYS A 17 9.777 1.290 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.209 2.169 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.601 0.885 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.587 -0.058 2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.489 -0.704 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.127 1.153 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.240 1.776 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.498 -0.376 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.386 -0.996 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.395 -0.146 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.061 0.786 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.138 1.387 -0.394 1.00 0.00 H new ATOM 261 N VAL A 18 8.155 -0.747 0.765 1.00 0.00 N ATOM 262 CA VAL A 18 7.633 -2.113 0.798 1.00 0.00 C ATOM 263 C VAL A 18 7.564 -2.675 -0.622 1.00 0.00 C ATOM 264 O VAL A 18 7.321 -1.935 -1.581 1.00 0.00 O ATOM 265 CB VAL A 18 6.217 -2.230 1.454 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.061 -1.314 2.665 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.116 -1.988 0.432 1.00 0.00 C ATOM 0 H VAL A 18 7.905 -0.212 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 18 8.323 -2.685 1.418 1.00 0.00 H new ATOM 0 HB VAL A 18 6.120 -3.253 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.062 -1.432 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.804 -1.577 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.206 -0.278 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.144 -2.076 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.223 -0.988 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.192 -2.727 -0.366 1.00 0.00 H new ATOM 277 N PRO A 19 7.821 -3.979 -0.778 1.00 0.00 N ATOM 278 CA PRO A 19 7.576 -4.692 -2.031 1.00 0.00 C ATOM 279 C PRO A 19 6.080 -4.769 -2.345 1.00 0.00 C ATOM 280 O PRO A 19 5.257 -4.685 -1.428 1.00 0.00 O ATOM 281 CB PRO A 19 8.135 -6.100 -1.777 1.00 0.00 C ATOM 282 CG PRO A 19 8.995 -5.975 -0.565 1.00 0.00 C ATOM 283 CD PRO A 19 8.406 -4.854 0.244 1.00 0.00 C ATOM 0 HA PRO A 19 8.040 -4.193 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.331 -6.818 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.711 -6.454 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.005 -6.904 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.027 -5.758 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.653 -5.215 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.166 -4.337 0.830 1.00 0.00 H new ATOM 291 N PHE A 20 5.720 -4.911 -3.617 1.00 0.00 N ATOM 292 CA PHE A 20 4.308 -4.958 -4.009 1.00 0.00 C ATOM 293 C PHE A 20 3.549 -6.026 -3.219 1.00 0.00 C ATOM 294 O PHE A 20 2.441 -5.778 -2.736 1.00 0.00 O ATOM 295 CB PHE A 20 4.159 -5.217 -5.515 1.00 0.00 C ATOM 296 CG PHE A 20 2.733 -5.149 -5.987 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.963 -6.299 -6.091 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.163 -3.933 -6.327 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.653 -6.234 -6.522 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.852 -3.864 -6.759 1.00 0.00 C ATOM 301 CZ PHE A 20 0.097 -5.016 -6.858 1.00 0.00 C ATOM 0 H PHE A 20 6.378 -4.995 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 20 3.876 -3.984 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.752 -4.486 -6.064 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.567 -6.200 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.393 -7.255 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.749 -3.029 -6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.063 -7.136 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.418 -2.910 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.927 -4.964 -7.198 1.00 0.00 H new ATOM 311 N ASP A 21 4.160 -7.201 -3.069 1.00 0.00 N ATOM 312 CA ASP A 21 3.543 -8.303 -2.329 1.00 0.00 C ATOM 313 C ASP A 21 3.193 -7.884 -0.901 1.00 0.00 C ATOM 314 O ASP A 21 2.150 -8.270 -0.371 1.00 0.00 O ATOM 315 CB ASP A 21 4.457 -9.540 -2.313 1.00 0.00 C ATOM 316 CG ASP A 21 5.858 -9.252 -1.808 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.048 -9.158 -0.580 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.782 -9.138 -2.641 1.00 0.00 O ATOM 0 H ASP A 21 5.082 -7.415 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 21 2.619 -8.565 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.004 -10.308 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.520 -9.948 -3.322 1.00 0.00 H new ATOM 323 N GLN A 22 4.058 -7.085 -0.287 1.00 0.00 N ATOM 324 CA GLN A 22 3.800 -6.556 1.044 1.00 0.00 C ATOM 325 C GLN A 22 2.651 -5.553 1.011 1.00 0.00 C ATOM 326 O GLN A 22 1.815 -5.522 1.918 1.00 0.00 O ATOM 327 CB GLN A 22 5.051 -5.893 1.611 1.00 0.00 C ATOM 328 CG GLN A 22 4.846 -5.325 3.002 1.00 0.00 C ATOM 329 CD GLN A 22 4.524 -6.394 4.025 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.418 -6.968 4.645 1.00 0.00 O ATOM 331 NE2 GLN A 22 3.243 -6.663 4.211 1.00 0.00 N ATOM 0 H GLN A 22 4.946 -6.790 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 22 3.521 -7.389 1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.860 -6.622 1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.366 -5.093 0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.746 -4.792 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.037 -4.595 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.534 -6.163 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.964 -7.371 4.890 1.00 0.00 H new ATOM 340 N CYS A 23 2.609 -4.737 -0.035 1.00 0.00 N ATOM 341 CA CYS A 23 1.540 -3.748 -0.184 1.00 0.00 C ATOM 342 C CYS A 23 0.197 -4.456 -0.333 1.00 0.00 C ATOM 343 O CYS A 23 -0.801 -4.052 0.267 1.00 0.00 O ATOM 344 CB CYS A 23 1.792 -2.826 -1.391 1.00 0.00 C ATOM 345 SG CYS A 23 0.743 -1.338 -1.419 1.00 0.00 S ATOM 0 H CYS A 23 3.296 -4.737 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 23 1.524 -3.127 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.838 -2.520 -1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.627 -3.392 -2.308 1.00 0.00 H new ATOM 350 N TYR A 24 0.196 -5.536 -1.108 1.00 0.00 N ATOM 351 CA TYR A 24 -0.992 -6.356 -1.299 1.00 0.00 C ATOM 352 C TYR A 24 -1.467 -6.948 0.028 1.00 0.00 C ATOM 353 O TYR A 24 -2.663 -7.128 0.251 1.00 0.00 O ATOM 354 CB TYR A 24 -0.695 -7.482 -2.300 1.00 0.00 C ATOM 355 CG TYR A 24 -1.872 -8.387 -2.567 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.018 -9.589 -1.889 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.839 -8.035 -3.492 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.097 -10.414 -2.128 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.923 -8.854 -3.738 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.047 -10.042 -3.054 1.00 0.00 C ATOM 361 OH TYR A 24 -5.128 -10.861 -3.294 1.00 0.00 O ATOM 0 H TYR A 24 1.015 -5.865 -1.619 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.786 -5.722 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.367 -7.041 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.134 -8.081 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.275 -9.883 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.744 -7.104 -4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.197 -11.346 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.669 -8.564 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.704 -10.452 -3.974 1.00 0.00 H new ATOM 371 N GLN A 25 -0.532 -7.228 0.921 1.00 0.00 N ATOM 372 CA GLN A 25 -0.869 -7.886 2.177 1.00 0.00 C ATOM 373 C GLN A 25 -1.604 -6.944 3.121 1.00 0.00 C ATOM 374 O GLN A 25 -2.475 -7.373 3.871 1.00 0.00 O ATOM 375 CB GLN A 25 0.379 -8.455 2.860 1.00 0.00 C ATOM 376 CG GLN A 25 0.852 -9.782 2.264 1.00 0.00 C ATOM 377 CD GLN A 25 -0.184 -10.880 2.418 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.958 -10.890 3.374 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.213 -11.805 1.475 1.00 0.00 N ATOM 0 H GLN A 25 0.458 -7.013 0.804 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.536 -8.714 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.186 -7.726 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.170 -8.597 3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.078 -9.644 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.778 -10.088 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.446 -11.762 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.894 -12.562 1.524 1.00 0.00 H new ATOM 388 N MET A 26 -1.261 -5.665 3.087 1.00 0.00 N ATOM 389 CA MET A 26 -1.912 -4.697 3.964 1.00 0.00 C ATOM 390 C MET A 26 -3.128 -4.051 3.305 1.00 0.00 C ATOM 391 O MET A 26 -4.222 -4.043 3.874 1.00 0.00 O ATOM 392 CB MET A 26 -0.933 -3.598 4.389 1.00 0.00 C ATOM 393 CG MET A 26 0.250 -4.074 5.227 1.00 0.00 C ATOM 394 SD MET A 26 1.316 -2.712 5.746 1.00 0.00 S ATOM 395 CE MET A 26 1.722 -1.955 4.169 1.00 0.00 C ATOM 0 H MET A 26 -0.547 -5.275 2.472 1.00 0.00 H new ATOM 0 HA MET A 26 -2.247 -5.251 4.841 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.550 -3.108 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.480 -2.845 4.956 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.120 -4.599 6.108 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.835 -4.791 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.731 -1.545 4.211 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.668 -2.706 3.380 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.014 -1.154 3.957 1.00 0.00 H new ATOM 405 N CYS A 27 -2.940 -3.513 2.109 1.00 0.00 N ATOM 406 CA CYS A 27 -3.946 -2.650 1.499 1.00 0.00 C ATOM 407 C CYS A 27 -5.105 -3.431 0.880 1.00 0.00 C ATOM 408 O CYS A 27 -6.235 -2.943 0.861 1.00 0.00 O ATOM 409 CB CYS A 27 -3.299 -1.746 0.445 1.00 0.00 C ATOM 410 SG CYS A 27 -1.857 -0.817 1.062 1.00 0.00 S ATOM 0 H CYS A 27 -2.104 -3.657 1.542 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.366 -2.042 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.991 -2.356 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.044 -1.041 0.077 1.00 0.00 H new ATOM 415 N SER A 28 -4.845 -4.631 0.379 1.00 0.00 N ATOM 416 CA SER A 28 -5.902 -5.406 -0.262 1.00 0.00 C ATOM 417 C SER A 28 -6.984 -5.855 0.735 1.00 0.00 C ATOM 418 O SER A 28 -8.168 -5.637 0.473 1.00 0.00 O ATOM 419 CB SER A 28 -5.325 -6.581 -1.052 1.00 0.00 C ATOM 420 OG SER A 28 -4.365 -6.113 -1.979 1.00 0.00 O ATOM 0 H SER A 28 -3.931 -5.083 0.402 1.00 0.00 H new ATOM 0 HA SER A 28 -6.399 -4.746 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.866 -7.298 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.124 -7.105 -1.576 1.00 0.00 H new ATOM 0 HG SER A 28 -3.676 -6.798 -2.110 1.00 0.00 H new ATOM 426 N PRO A 29 -6.626 -6.474 1.891 1.00 0.00 N ATOM 427 CA PRO A 29 -7.614 -6.801 2.934 1.00 0.00 C ATOM 428 C PRO A 29 -8.380 -5.568 3.424 1.00 0.00 C ATOM 429 O PRO A 29 -9.527 -5.666 3.865 1.00 0.00 O ATOM 430 CB PRO A 29 -6.766 -7.384 4.066 1.00 0.00 C ATOM 431 CG PRO A 29 -5.566 -7.931 3.376 1.00 0.00 C ATOM 432 CD PRO A 29 -5.278 -6.965 2.255 1.00 0.00 C ATOM 0 HA PRO A 29 -8.379 -7.483 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.493 -6.620 4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.304 -8.162 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.719 -8.005 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.755 -8.934 2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.626 -6.154 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.786 -7.455 1.415 1.00 0.00 H new ATOM 440 N LEU A 30 -7.727 -4.413 3.340 1.00 0.00 N ATOM 441 CA LEU A 30 -8.348 -3.135 3.677 1.00 0.00 C ATOM 442 C LEU A 30 -9.491 -2.878 2.704 1.00 0.00 C ATOM 443 O LEU A 30 -10.652 -2.760 3.101 1.00 0.00 O ATOM 444 CB LEU A 30 -7.300 -2.002 3.578 1.00 0.00 C ATOM 445 CG LEU A 30 -7.649 -0.641 4.225 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.557 0.371 3.906 1.00 0.00 C ATOM 447 CD2 LEU A 30 -8.995 -0.102 3.753 1.00 0.00 C ATOM 0 H LEU A 30 -6.756 -4.336 3.038 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.733 -3.164 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.375 -2.361 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.093 -1.828 2.522 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.718 -0.800 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.804 1.329 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.605 0.016 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.479 0.493 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.193 0.855 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.973 0.035 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.782 -0.810 4.013 1.00 0.00 H new ATOM 459 N GLU A 31 -9.136 -2.806 1.431 1.00 0.00 N ATOM 460 CA GLU A 31 -10.086 -2.487 0.372 1.00 0.00 C ATOM 461 C GLU A 31 -11.205 -3.521 0.317 1.00 0.00 C ATOM 462 O GLU A 31 -12.388 -3.174 0.390 1.00 0.00 O ATOM 463 CB GLU A 31 -9.367 -2.409 -0.982 1.00 0.00 C ATOM 464 CG GLU A 31 -10.279 -2.024 -2.141 1.00 0.00 C ATOM 465 CD GLU A 31 -9.593 -2.129 -3.488 1.00 0.00 C ATOM 466 OE1 GLU A 31 -9.154 -1.089 -4.019 1.00 0.00 O ATOM 467 OE2 GLU A 31 -9.500 -3.250 -4.030 1.00 0.00 O ATOM 0 H GLU A 31 -8.184 -2.966 1.101 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.529 -1.516 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.558 -1.682 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.910 -3.375 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.158 -2.668 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.631 -1.003 -1.996 1.00 0.00 H new ATOM 474 N ARG A 32 -10.831 -4.786 0.209 1.00 0.00 N ATOM 475 CA ARG A 32 -11.806 -5.862 0.114 1.00 0.00 C ATOM 476 C ARG A 32 -11.193 -7.185 0.563 1.00 0.00 C ATOM 477 O ARG A 32 -10.245 -7.682 -0.049 1.00 0.00 O ATOM 478 CB ARG A 32 -12.327 -5.980 -1.331 1.00 0.00 C ATOM 479 CG ARG A 32 -13.229 -7.198 -1.586 1.00 0.00 C ATOM 480 CD ARG A 32 -14.559 -7.121 -0.842 1.00 0.00 C ATOM 481 NE ARG A 32 -15.185 -5.807 -0.965 1.00 0.00 N ATOM 482 CZ ARG A 32 -16.150 -5.360 -0.164 1.00 0.00 C ATOM 483 NH1 ARG A 32 -16.600 -6.113 0.834 1.00 0.00 N ATOM 484 NH2 ARG A 32 -16.665 -4.158 -0.363 1.00 0.00 N ATOM 0 H ARG A 32 -9.859 -5.093 0.185 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.642 -5.629 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.882 -5.075 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.474 -6.027 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.422 -7.283 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.702 -8.103 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.236 -7.882 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.397 -7.347 0.212 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.862 -5.193 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.206 -7.041 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.340 -5.763 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.323 -3.577 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.404 -3.812 0.249 1.00 0.00 H new ATOM 498 N SER A 33 -11.737 -7.750 1.628 1.00 0.00 N ATOM 499 CA SER A 33 -11.277 -9.037 2.127 1.00 0.00 C ATOM 500 C SER A 33 -12.471 -9.969 2.294 1.00 0.00 C ATOM 501 CB SER A 33 -10.527 -8.880 3.458 1.00 0.00 C ATOM 502 OG SER A 33 -9.662 -9.982 3.691 1.00 0.00 O ATOM 0 H SER A 33 -12.499 -7.337 2.165 1.00 0.00 H new ATOM 0 HA SER A 33 -10.581 -9.464 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.949 -7.956 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.244 -8.797 4.275 1.00 0.00 H new ATOM 0 HG SER A 33 -9.195 -9.857 4.544 1.00 0.00 H new TER 508 SER A 33