USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=14 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 165:sc= 0 USER MOD Set 1.2: A 28 SER OG : rot 170:sc= 1.86 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.27 F(o=-1.8,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.00709 (180deg=-0.125) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.1 F(o=-0.97,f=-0.1) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0798 F(o=-3.5!,f=-0.08) USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.263 F(o=-1.4,f=-0.26) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.48) USER MOD Single : A 26 MET CE :methyl 141:sc= -0.811 (180deg=-1.29) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.089 1.315 3.495 1.00 0.00 N ATOM 2 CA ALA A 1 -16.067 1.350 2.016 1.00 0.00 C ATOM 3 C ALA A 1 -15.359 2.604 1.525 1.00 0.00 C ATOM 4 O ALA A 1 -15.870 3.714 1.678 1.00 0.00 O ATOM 5 CB ALA A 1 -17.480 1.290 1.455 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.576 0.453 3.815 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.114 1.317 3.857 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.593 2.151 3.855 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.518 0.477 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.441 1.317 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.961 0.367 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.052 2.143 1.819 1.00 0.00 H new ATOM 10 N SER A 2 -14.186 2.426 0.932 1.00 0.00 N ATOM 11 CA SER A 2 -13.399 3.554 0.449 1.00 0.00 C ATOM 12 C SER A 2 -12.229 3.069 -0.406 1.00 0.00 C ATOM 13 O SER A 2 -11.110 2.920 0.091 1.00 0.00 O ATOM 14 CB SER A 2 -12.860 4.393 1.623 1.00 0.00 C ATOM 15 OG SER A 2 -12.180 5.545 1.149 1.00 0.00 O ATOM 0 H SER A 2 -13.759 1.513 0.774 1.00 0.00 H new ATOM 0 HA SER A 2 -14.055 4.177 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.684 4.692 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.183 3.789 2.227 1.00 0.00 H new ATOM 0 HG SER A 2 -11.847 6.065 1.910 1.00 0.00 H new ATOM 21 N PRO A 3 -12.463 2.794 -1.702 1.00 0.00 N ATOM 22 CA PRO A 3 -11.376 2.497 -2.645 1.00 0.00 C ATOM 23 C PRO A 3 -10.364 3.643 -2.733 1.00 0.00 C ATOM 24 O PRO A 3 -9.234 3.462 -3.187 1.00 0.00 O ATOM 25 CB PRO A 3 -12.100 2.310 -3.983 1.00 0.00 C ATOM 26 CG PRO A 3 -13.479 1.909 -3.603 1.00 0.00 C ATOM 27 CD PRO A 3 -13.791 2.687 -2.344 1.00 0.00 C ATOM 0 HA PRO A 3 -10.796 1.625 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.100 3.230 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.618 1.546 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.189 2.144 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.541 0.835 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.215 3.666 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.508 2.165 -1.711 1.00 0.00 H new ATOM 35 N GLN A 4 -10.775 4.820 -2.269 1.00 0.00 N ATOM 36 CA GLN A 4 -9.922 6.003 -2.298 1.00 0.00 C ATOM 37 C GLN A 4 -8.799 5.895 -1.276 1.00 0.00 C ATOM 38 O GLN A 4 -7.633 6.110 -1.606 1.00 0.00 O ATOM 39 CB GLN A 4 -10.736 7.277 -2.039 1.00 0.00 C ATOM 40 CG GLN A 4 -11.637 7.693 -3.202 1.00 0.00 C ATOM 41 CD GLN A 4 -12.495 8.905 -2.878 1.00 0.00 C ATOM 42 OE1 GLN A 4 -12.015 9.761 -1.983 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -13.584 9.071 -3.424 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.699 4.979 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.484 6.062 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.352 7.127 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.050 8.094 -1.816 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.020 7.913 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.283 6.858 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.921 8.392 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.151 9.887 -3.194 1.00 0.00 H new ATOM 52 N GLN A 5 -9.143 5.561 -0.039 1.00 0.00 N ATOM 53 CA GLN A 5 -8.135 5.429 1.015 1.00 0.00 C ATOM 54 C GLN A 5 -7.167 4.300 0.688 1.00 0.00 C ATOM 55 O GLN A 5 -6.009 4.311 1.111 1.00 0.00 O ATOM 56 CB GLN A 5 -8.773 5.181 2.387 1.00 0.00 C ATOM 57 CG GLN A 5 -9.321 3.772 2.574 1.00 0.00 C ATOM 58 CD GLN A 5 -9.791 3.500 3.993 1.00 0.00 C ATOM 59 OE1 GLN A 5 -9.138 4.107 4.976 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -10.734 2.736 4.203 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.100 5.377 0.261 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.591 6.372 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.031 5.376 3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.582 5.896 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.152 3.617 1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.549 3.050 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.211 2.288 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.038 2.551 5.159 1.00 0.00 H new ATOM 69 N ALA A 6 -7.652 3.326 -0.065 1.00 0.00 N ATOM 70 CA ALA A 6 -6.828 2.207 -0.492 1.00 0.00 C ATOM 71 C ALA A 6 -5.725 2.673 -1.425 1.00 0.00 C ATOM 72 O ALA A 6 -4.595 2.192 -1.350 1.00 0.00 O ATOM 73 CB ALA A 6 -7.673 1.143 -1.165 1.00 0.00 C ATOM 0 H ALA A 6 -8.617 3.288 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.367 1.772 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.036 0.315 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.425 0.779 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.167 1.569 -2.038 1.00 0.00 H new ATOM 79 N LYS A 7 -6.053 3.630 -2.287 1.00 0.00 N ATOM 80 CA LYS A 7 -5.080 4.187 -3.216 1.00 0.00 C ATOM 81 C LYS A 7 -3.942 4.840 -2.440 1.00 0.00 C ATOM 82 O LYS A 7 -2.780 4.756 -2.831 1.00 0.00 O ATOM 83 CB LYS A 7 -5.749 5.205 -4.153 1.00 0.00 C ATOM 84 CG LYS A 7 -4.821 5.768 -5.220 1.00 0.00 C ATOM 85 CD LYS A 7 -4.275 4.661 -6.127 1.00 0.00 C ATOM 86 CE LYS A 7 -3.402 5.225 -7.247 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.240 5.990 -6.723 1.00 0.00 N ATOM 0 H LYS A 7 -6.986 4.035 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.674 3.381 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.600 4.730 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.142 6.028 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.358 6.501 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.992 6.292 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.693 3.957 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.105 4.103 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.044 4.407 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.004 5.873 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.596 6.223 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.575 6.868 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.735 5.415 -6.019 1.00 0.00 H new ATOM 101 N TYR A 8 -4.289 5.470 -1.323 1.00 0.00 N ATOM 102 CA TYR A 8 -3.300 6.074 -0.442 1.00 0.00 C ATOM 103 C TYR A 8 -2.434 4.994 0.200 1.00 0.00 C ATOM 104 O TYR A 8 -1.211 5.129 0.271 1.00 0.00 O ATOM 105 CB TYR A 8 -3.991 6.916 0.639 1.00 0.00 C ATOM 106 CG TYR A 8 -3.033 7.601 1.583 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.407 8.787 1.227 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.751 7.057 2.829 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.528 9.415 2.088 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.875 7.677 3.694 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.262 8.853 3.319 1.00 0.00 C ATOM 112 OH TYR A 8 -0.386 9.471 4.183 1.00 0.00 O ATOM 0 H TYR A 8 -5.253 5.575 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.660 6.728 -1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.613 7.670 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.658 6.274 1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.610 9.226 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.226 6.133 3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.052 10.340 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.670 7.243 4.661 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.312 8.944 5.006 1.00 0.00 H new ATOM 122 N CYS A 9 -3.078 3.920 0.647 1.00 0.00 N ATOM 123 CA CYS A 9 -2.377 2.803 1.281 1.00 0.00 C ATOM 124 C CYS A 9 -1.307 2.260 0.338 1.00 0.00 C ATOM 125 O CYS A 9 -0.142 2.128 0.715 1.00 0.00 O ATOM 126 CB CYS A 9 -3.372 1.688 1.663 1.00 0.00 C ATOM 127 SG CYS A 9 -2.692 0.399 2.761 1.00 0.00 S ATOM 0 H CYS A 9 -4.089 3.797 0.582 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.897 3.161 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.235 2.142 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.733 1.214 0.750 1.00 0.00 H new ATOM 132 N TYR A 10 -1.703 1.998 -0.904 1.00 0.00 N ATOM 133 CA TYR A 10 -0.792 1.456 -1.908 1.00 0.00 C ATOM 134 C TYR A 10 0.270 2.474 -2.318 1.00 0.00 C ATOM 135 O TYR A 10 1.451 2.133 -2.435 1.00 0.00 O ATOM 136 CB TYR A 10 -1.566 0.982 -3.147 1.00 0.00 C ATOM 137 CG TYR A 10 -2.265 -0.340 -2.957 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.632 -0.411 -2.704 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.551 -1.523 -3.033 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.258 -1.628 -2.536 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.168 -2.741 -2.867 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.523 -2.792 -2.618 1.00 0.00 C ATOM 143 OH TYR A 10 -4.143 -4.010 -2.444 1.00 0.00 O ATOM 0 H TYR A 10 -2.653 2.153 -1.241 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.286 0.603 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.304 1.738 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.875 0.900 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.210 0.499 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.489 -1.489 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.319 -1.669 -2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.594 -3.653 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.553 -4.726 -2.759 1.00 0.00 H new ATOM 153 N GLU A 11 -0.143 3.721 -2.525 1.00 0.00 N ATOM 154 CA GLU A 11 0.763 4.750 -3.015 1.00 0.00 C ATOM 155 C GLU A 11 1.884 5.015 -2.012 1.00 0.00 C ATOM 156 O GLU A 11 3.030 5.205 -2.399 1.00 0.00 O ATOM 157 CB GLU A 11 0.006 6.053 -3.316 1.00 0.00 C ATOM 158 CG GLU A 11 0.832 7.072 -4.085 1.00 0.00 C ATOM 159 CD GLU A 11 0.108 8.390 -4.252 1.00 0.00 C ATOM 160 OE1 GLU A 11 0.596 9.413 -3.727 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.962 8.409 -4.897 1.00 0.00 O ATOM 0 H GLU A 11 -1.097 4.041 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 11 1.206 4.384 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.891 5.818 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.322 6.498 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.774 7.241 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.080 6.669 -5.067 1.00 0.00 H new ATOM 168 N GLN A 12 1.565 4.999 -0.724 1.00 0.00 N ATOM 169 CA GLN A 12 2.558 5.307 0.290 1.00 0.00 C ATOM 170 C GLN A 12 3.471 4.121 0.560 1.00 0.00 C ATOM 171 O GLN A 12 4.554 4.294 1.112 1.00 0.00 O ATOM 172 CB GLN A 12 1.885 5.770 1.579 1.00 0.00 C ATOM 173 CG GLN A 12 1.103 7.050 1.396 1.00 0.00 C ATOM 174 CD GLN A 12 1.974 8.236 1.025 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.211 8.252 1.501 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.533 9.141 0.318 1.00 0.00 N flip ATOM 0 H GLN A 12 0.637 4.778 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 12 3.177 6.119 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.216 4.987 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.643 5.918 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.353 6.902 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.567 7.276 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.576 9.095 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.125 9.937 0.081 1.00 0.00 H new ATOM 185 N CYS A 13 3.043 2.925 0.166 1.00 0.00 N ATOM 186 CA CYS A 13 3.841 1.725 0.399 1.00 0.00 C ATOM 187 C CYS A 13 5.251 1.868 -0.182 1.00 0.00 C ATOM 188 O CYS A 13 6.233 1.835 0.559 1.00 0.00 O ATOM 189 CB CYS A 13 3.154 0.467 -0.165 1.00 0.00 C ATOM 190 SG CYS A 13 1.889 -0.255 0.930 1.00 0.00 S ATOM 0 H CYS A 13 2.157 2.761 -0.312 1.00 0.00 H new ATOM 0 HA CYS A 13 3.927 1.607 1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.691 0.718 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.914 -0.287 -0.368 1.00 0.00 H new ATOM 195 N ASN A 14 5.363 2.069 -1.491 1.00 0.00 N ATOM 196 CA ASN A 14 6.680 2.184 -2.115 1.00 0.00 C ATOM 197 C ASN A 14 7.358 3.496 -1.727 1.00 0.00 C ATOM 198 O ASN A 14 8.585 3.590 -1.725 1.00 0.00 O ATOM 199 CB ASN A 14 6.612 2.028 -3.647 1.00 0.00 C ATOM 200 CG ASN A 14 5.913 3.172 -4.377 1.00 0.00 C ATOM 201 OD1 ASN A 14 4.904 3.774 -3.771 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 6.272 3.500 -5.505 1.00 0.00 N flip ATOM 0 H ASN A 14 4.574 2.155 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 14 7.287 1.361 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.627 1.935 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.095 1.097 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.054 3.020 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.789 4.252 -5.995 1.00 0.00 H new ATOM 209 N VAL A 15 6.554 4.503 -1.411 1.00 0.00 N ATOM 210 CA VAL A 15 7.073 5.778 -0.942 1.00 0.00 C ATOM 211 C VAL A 15 7.843 5.594 0.364 1.00 0.00 C ATOM 212 O VAL A 15 8.942 6.129 0.524 1.00 0.00 O ATOM 213 CB VAL A 15 5.941 6.812 -0.732 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.464 8.055 -0.026 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.310 7.197 -2.065 1.00 0.00 C ATOM 0 H VAL A 15 5.537 4.459 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 15 7.746 6.157 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 15 5.180 6.350 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.649 8.766 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.869 7.777 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.249 8.513 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.516 7.925 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.069 7.633 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.892 6.309 -2.540 1.00 0.00 H new ATOM 225 N ASN A 16 7.274 4.827 1.292 1.00 0.00 N ATOM 226 CA ASN A 16 7.938 4.596 2.569 1.00 0.00 C ATOM 227 C ASN A 16 9.022 3.534 2.403 1.00 0.00 C ATOM 228 O ASN A 16 10.203 3.869 2.292 1.00 0.00 O ATOM 229 CB ASN A 16 6.926 4.142 3.634 1.00 0.00 C ATOM 230 CG ASN A 16 5.774 5.112 3.837 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.028 6.395 3.653 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.656 4.707 4.163 1.00 0.00 N flip ATOM 0 H ASN A 16 6.372 4.364 1.186 1.00 0.00 H new ATOM 0 HA ASN A 16 8.391 5.531 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.524 3.170 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.446 4.007 4.582 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.494 3.709 4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.893 5.370 4.299 1.00 0.00 H new ATOM 239 N LYS A 17 8.605 2.263 2.332 1.00 0.00 N ATOM 240 CA LYS A 17 9.484 1.150 1.971 1.00 0.00 C ATOM 241 C LYS A 17 8.720 -0.189 2.067 1.00 0.00 C ATOM 242 O LYS A 17 8.778 -0.888 3.077 1.00 0.00 O ATOM 243 CB LYS A 17 10.773 1.113 2.840 1.00 0.00 C ATOM 244 CG LYS A 17 10.572 0.793 4.325 1.00 0.00 C ATOM 245 CD LYS A 17 9.823 1.898 5.068 1.00 0.00 C ATOM 246 CE LYS A 17 9.502 1.477 6.493 1.00 0.00 C ATOM 247 NZ LYS A 17 8.706 2.504 7.213 1.00 0.00 N ATOM 0 H LYS A 17 7.644 1.980 2.525 1.00 0.00 H new ATOM 0 HA LYS A 17 9.801 1.305 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.451 0.372 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.269 2.080 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.020 -0.142 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.544 0.639 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.426 2.806 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.900 2.136 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.951 0.537 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.430 1.293 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.510 2.176 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.242 3.395 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.808 2.662 6.712 1.00 0.00 H new ATOM 261 N VAL A 18 7.990 -0.552 1.016 1.00 0.00 N ATOM 262 CA VAL A 18 7.304 -1.843 0.982 1.00 0.00 C ATOM 263 C VAL A 18 6.932 -2.211 -0.458 1.00 0.00 C ATOM 264 O VAL A 18 6.354 -1.401 -1.190 1.00 0.00 O ATOM 265 CB VAL A 18 6.046 -1.901 1.920 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.580 -0.515 2.330 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.899 -2.660 1.263 1.00 0.00 C ATOM 0 H VAL A 18 7.858 0.022 0.183 1.00 0.00 H new ATOM 0 HA VAL A 18 8.005 -2.582 1.371 1.00 0.00 H new ATOM 0 HB VAL A 18 6.352 -2.436 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.708 -0.601 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.381 -0.005 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.316 0.058 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.043 -2.682 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.617 -2.161 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.215 -3.680 1.045 1.00 0.00 H new ATOM 277 N PRO A 19 7.320 -3.426 -0.894 1.00 0.00 N ATOM 278 CA PRO A 19 6.974 -3.957 -2.222 1.00 0.00 C ATOM 279 C PRO A 19 5.464 -4.082 -2.427 1.00 0.00 C ATOM 280 O PRO A 19 4.721 -4.278 -1.461 1.00 0.00 O ATOM 281 CB PRO A 19 7.615 -5.353 -2.236 1.00 0.00 C ATOM 282 CG PRO A 19 8.659 -5.319 -1.175 1.00 0.00 C ATOM 283 CD PRO A 19 8.153 -4.367 -0.127 1.00 0.00 C ATOM 0 HA PRO A 19 7.325 -3.298 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.875 -6.127 -2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.051 -5.575 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.821 -6.312 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.615 -4.984 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.574 -4.883 0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.971 -3.857 0.381 1.00 0.00 H new ATOM 291 N PHE A 20 5.012 -3.989 -3.678 1.00 0.00 N ATOM 292 CA PHE A 20 3.581 -4.045 -3.989 1.00 0.00 C ATOM 293 C PHE A 20 2.933 -5.317 -3.435 1.00 0.00 C ATOM 294 O PHE A 20 1.848 -5.263 -2.863 1.00 0.00 O ATOM 295 CB PHE A 20 3.341 -3.961 -5.503 1.00 0.00 C ATOM 296 CG PHE A 20 1.890 -3.798 -5.866 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.088 -4.904 -6.114 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.327 -2.536 -5.956 1.00 0.00 C ATOM 299 CE1 PHE A 20 -0.245 -4.750 -6.444 1.00 0.00 C ATOM 300 CE2 PHE A 20 -0.005 -2.376 -6.286 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.792 -3.484 -6.529 1.00 0.00 C ATOM 0 H PHE A 20 5.615 -3.875 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 20 3.118 -3.184 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.906 -3.122 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.728 -4.864 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.511 -5.896 -6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.937 -1.665 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.858 -5.618 -6.635 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.430 -1.385 -6.354 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.834 -3.361 -6.785 1.00 0.00 H new ATOM 311 N ASP A 21 3.608 -6.451 -3.590 1.00 0.00 N ATOM 312 CA ASP A 21 3.068 -7.738 -3.145 1.00 0.00 C ATOM 313 C ASP A 21 2.841 -7.753 -1.635 1.00 0.00 C ATOM 314 O ASP A 21 1.819 -8.247 -1.157 1.00 0.00 O ATOM 315 CB ASP A 21 3.998 -8.887 -3.550 1.00 0.00 C ATOM 316 CG ASP A 21 5.401 -8.740 -2.995 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.191 -7.967 -3.570 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.721 -9.400 -1.982 1.00 0.00 O ATOM 0 H ASP A 21 4.531 -6.509 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 21 2.105 -7.877 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.574 -9.829 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.048 -8.940 -4.638 1.00 0.00 H new ATOM 323 N GLN A 22 3.790 -7.211 -0.886 1.00 0.00 N ATOM 324 CA GLN A 22 3.642 -7.085 0.556 1.00 0.00 C ATOM 325 C GLN A 22 2.568 -6.047 0.893 1.00 0.00 C ATOM 326 O GLN A 22 1.836 -6.191 1.873 1.00 0.00 O ATOM 327 CB GLN A 22 4.977 -6.698 1.197 1.00 0.00 C ATOM 328 CG GLN A 22 4.869 -6.405 2.682 1.00 0.00 C ATOM 329 CD GLN A 22 6.115 -5.747 3.242 1.00 0.00 C ATOM 330 OE1 GLN A 22 7.269 -6.087 2.691 1.00 0.00 O flip ATOM 331 NE2 GLN A 22 6.040 -4.948 4.175 1.00 0.00 N flip ATOM 0 H GLN A 22 4.671 -6.851 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 22 3.331 -8.049 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.693 -7.506 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.375 -5.820 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.011 -5.757 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.682 -7.335 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.131 -4.712 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.887 -4.522 4.551 1.00 0.00 H new ATOM 340 N CYS A 23 2.478 -5.006 0.071 1.00 0.00 N ATOM 341 CA CYS A 23 1.451 -3.975 0.251 1.00 0.00 C ATOM 342 C CYS A 23 0.068 -4.585 0.055 1.00 0.00 C ATOM 343 O CYS A 23 -0.880 -4.251 0.767 1.00 0.00 O ATOM 344 CB CYS A 23 1.652 -2.810 -0.731 1.00 0.00 C ATOM 345 SG CYS A 23 0.693 -1.311 -0.329 1.00 0.00 S ATOM 0 H CYS A 23 3.098 -4.851 -0.724 1.00 0.00 H new ATOM 0 HA CYS A 23 1.538 -3.582 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.711 -2.553 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.379 -3.144 -1.732 1.00 0.00 H new ATOM 350 N TYR A 24 -0.024 -5.498 -0.907 1.00 0.00 N ATOM 351 CA TYR A 24 -1.253 -6.234 -1.170 1.00 0.00 C ATOM 352 C TYR A 24 -1.707 -6.966 0.088 1.00 0.00 C ATOM 353 O TYR A 24 -2.896 -7.048 0.376 1.00 0.00 O ATOM 354 CB TYR A 24 -1.038 -7.238 -2.314 1.00 0.00 C ATOM 355 CG TYR A 24 -2.320 -7.764 -2.912 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.834 -7.215 -4.077 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.018 -8.805 -2.314 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.007 -7.684 -4.630 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.191 -9.281 -2.861 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.683 -8.718 -4.018 1.00 0.00 C ATOM 361 OH TYR A 24 -5.859 -9.184 -4.562 1.00 0.00 O ATOM 0 H TYR A 24 0.749 -5.747 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.027 -5.525 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.451 -6.760 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.450 -8.077 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.306 -6.406 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.636 -9.249 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.394 -7.244 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.722 -10.092 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.208 -9.915 -4.010 1.00 0.00 H new ATOM 371 N GLN A 25 -0.749 -7.448 0.864 1.00 0.00 N ATOM 372 CA GLN A 25 -1.062 -8.236 2.049 1.00 0.00 C ATOM 373 C GLN A 25 -1.694 -7.365 3.129 1.00 0.00 C ATOM 374 O GLN A 25 -2.512 -7.838 3.917 1.00 0.00 O ATOM 375 CB GLN A 25 0.196 -8.930 2.589 1.00 0.00 C ATOM 376 CG GLN A 25 0.604 -10.173 1.795 1.00 0.00 C ATOM 377 CD GLN A 25 -0.422 -11.279 1.902 1.00 0.00 C ATOM 378 OE1 GLN A 25 -1.350 -11.365 1.100 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.266 -12.130 2.899 1.00 0.00 N ATOM 0 H GLN A 25 0.248 -7.309 0.697 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.782 -9.002 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.022 -8.219 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.026 -9.213 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.739 -9.905 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.566 -10.535 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.518 -12.023 3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.929 -12.894 3.026 1.00 0.00 H new ATOM 388 N MET A 26 -1.319 -6.093 3.157 1.00 0.00 N ATOM 389 CA MET A 26 -1.849 -5.166 4.144 1.00 0.00 C ATOM 390 C MET A 26 -3.101 -4.444 3.638 1.00 0.00 C ATOM 391 O MET A 26 -4.144 -4.475 4.291 1.00 0.00 O ATOM 392 CB MET A 26 -0.774 -4.148 4.545 1.00 0.00 C ATOM 393 CG MET A 26 -1.301 -2.975 5.372 1.00 0.00 C ATOM 394 SD MET A 26 -0.017 -1.770 5.780 1.00 0.00 S ATOM 395 CE MET A 26 0.643 -1.375 4.158 1.00 0.00 C ATOM 0 H MET A 26 -0.650 -5.681 2.507 1.00 0.00 H new ATOM 0 HA MET A 26 -2.139 -5.748 5.019 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.002 -4.660 5.114 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.303 -3.759 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.098 -2.477 4.820 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.741 -3.355 6.294 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.864 -0.309 4.105 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.557 -1.944 3.989 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.091 -1.632 3.394 1.00 0.00 H new ATOM 405 N CYS A 27 -3.003 -3.809 2.475 1.00 0.00 N ATOM 406 CA CYS A 27 -4.062 -2.913 2.006 1.00 0.00 C ATOM 407 C CYS A 27 -5.268 -3.663 1.431 1.00 0.00 C ATOM 408 O CYS A 27 -6.382 -3.136 1.440 1.00 0.00 O ATOM 409 CB CYS A 27 -3.514 -1.937 0.959 1.00 0.00 C ATOM 410 SG CYS A 27 -2.017 -1.039 1.492 1.00 0.00 S ATOM 0 H CYS A 27 -2.208 -3.895 1.841 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.410 -2.363 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.289 -2.488 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.290 -1.213 0.711 1.00 0.00 H new ATOM 415 N SER A 28 -5.068 -4.878 0.927 1.00 0.00 N ATOM 416 CA SER A 28 -6.183 -5.638 0.357 1.00 0.00 C ATOM 417 C SER A 28 -7.267 -5.969 1.391 1.00 0.00 C ATOM 418 O SER A 28 -8.436 -5.723 1.120 1.00 0.00 O ATOM 419 CB SER A 28 -5.711 -6.894 -0.372 1.00 0.00 C ATOM 420 OG SER A 28 -5.091 -6.546 -1.598 1.00 0.00 O ATOM 0 H SER A 28 -4.165 -5.352 0.900 1.00 0.00 H new ATOM 0 HA SER A 28 -6.642 -4.982 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.010 -7.445 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.558 -7.554 -0.559 1.00 0.00 H new ATOM 0 HG SER A 28 -4.656 -7.336 -1.980 1.00 0.00 H new ATOM 426 N PRO A 29 -6.932 -6.539 2.572 1.00 0.00 N ATOM 427 CA PRO A 29 -7.924 -6.760 3.642 1.00 0.00 C ATOM 428 C PRO A 29 -8.721 -5.494 3.973 1.00 0.00 C ATOM 429 O PRO A 29 -9.928 -5.546 4.216 1.00 0.00 O ATOM 430 CB PRO A 29 -7.061 -7.179 4.830 1.00 0.00 C ATOM 431 CG PRO A 29 -5.887 -7.851 4.205 1.00 0.00 C ATOM 432 CD PRO A 29 -5.602 -7.068 2.948 1.00 0.00 C ATOM 0 HA PRO A 29 -8.677 -7.496 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.757 -6.318 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.599 -7.854 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.028 -7.845 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.106 -8.894 3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.885 -6.266 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.184 -7.701 2.165 1.00 0.00 H new ATOM 440 N LEU A 30 -8.023 -4.364 3.975 1.00 0.00 N ATOM 441 CA LEU A 30 -8.638 -3.053 4.168 1.00 0.00 C ATOM 442 C LEU A 30 -9.733 -2.802 3.134 1.00 0.00 C ATOM 443 O LEU A 30 -10.885 -2.533 3.479 1.00 0.00 O ATOM 444 CB LEU A 30 -7.567 -1.953 4.059 1.00 0.00 C ATOM 445 CG LEU A 30 -8.105 -0.536 3.823 1.00 0.00 C ATOM 446 CD1 LEU A 30 -8.944 -0.057 4.999 1.00 0.00 C ATOM 447 CD2 LEU A 30 -6.962 0.434 3.544 1.00 0.00 C ATOM 0 H LEU A 30 -7.012 -4.330 3.843 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.089 -3.032 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.976 -1.952 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.890 -2.207 3.244 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.752 -0.568 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.309 0.950 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.791 -0.729 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.334 -0.049 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.365 1.433 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.284 0.452 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.419 0.111 2.656 1.00 0.00 H new ATOM 459 N GLU A 31 -9.355 -2.903 1.872 1.00 0.00 N ATOM 460 CA GLU A 31 -10.245 -2.565 0.765 1.00 0.00 C ATOM 461 C GLU A 31 -11.272 -3.675 0.529 1.00 0.00 C ATOM 462 O GLU A 31 -12.479 -3.433 0.534 1.00 0.00 O ATOM 463 CB GLU A 31 -9.411 -2.299 -0.498 1.00 0.00 C ATOM 464 CG GLU A 31 -10.161 -1.590 -1.632 1.00 0.00 C ATOM 465 CD GLU A 31 -11.139 -2.486 -2.357 1.00 0.00 C ATOM 466 OE1 GLU A 31 -10.694 -3.313 -3.180 1.00 0.00 O ATOM 467 OE2 GLU A 31 -12.359 -2.358 -2.122 1.00 0.00 O ATOM 0 H GLU A 31 -8.430 -3.219 1.582 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.800 -1.661 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.545 -1.697 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.032 -3.250 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.698 -0.734 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.438 -1.200 -2.348 1.00 0.00 H new ATOM 474 N ARG A 32 -10.789 -4.891 0.345 1.00 0.00 N ATOM 475 CA ARG A 32 -11.666 -6.029 0.088 1.00 0.00 C ATOM 476 C ARG A 32 -11.890 -6.817 1.368 1.00 0.00 C ATOM 477 O ARG A 32 -11.228 -7.828 1.614 1.00 0.00 O ATOM 478 CB ARG A 32 -11.097 -6.964 -1.001 1.00 0.00 C ATOM 479 CG ARG A 32 -11.147 -6.402 -2.435 1.00 0.00 C ATOM 480 CD ARG A 32 -12.570 -6.181 -2.953 1.00 0.00 C ATOM 481 NE ARG A 32 -13.239 -5.054 -2.297 1.00 0.00 N ATOM 482 CZ ARG A 32 -14.554 -4.970 -2.103 1.00 0.00 C ATOM 483 NH1 ARG A 32 -15.357 -5.946 -2.509 1.00 0.00 N ATOM 484 NH2 ARG A 32 -15.066 -3.899 -1.507 1.00 0.00 N ATOM 0 H ARG A 32 -9.795 -5.120 0.368 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.615 -5.632 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.061 -7.196 -0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.649 -7.904 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.606 -5.456 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.627 -7.088 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.538 -6.004 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.155 -7.087 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.659 -4.283 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.968 -6.767 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.363 -5.875 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.453 -3.144 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.073 -3.831 -1.357 1.00 0.00 H new ATOM 498 N SER A 33 -12.809 -6.336 2.182 1.00 0.00 N ATOM 499 CA SER A 33 -13.178 -7.022 3.411 1.00 0.00 C ATOM 500 C SER A 33 -14.047 -8.233 3.078 1.00 0.00 C ATOM 501 CB SER A 33 -13.923 -6.061 4.344 1.00 0.00 C ATOM 502 OG SER A 33 -13.316 -4.776 4.320 1.00 0.00 O ATOM 0 H SER A 33 -13.318 -5.468 2.016 1.00 0.00 H new ATOM 0 HA SER A 33 -12.278 -7.365 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.966 -5.983 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.917 -6.454 5.361 1.00 0.00 H new ATOM 0 HG SER A 33 -13.803 -4.173 4.919 1.00 0.00 H new TER 508 SER A 33