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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 SER OG : rot 151:sc= 0.123 USER MOD Set 2.1: A 12 GLN :FLIP amide:sc= 0.191 F(o=-2.9!,f=0.61) USER MOD Set 2.2: A 16 ASN :FLIP amide:sc= 0.422 F(o=-1.2,f=0.61) 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=-1.1,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.52 X(o=-2.5,f=-3!) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0715 (180deg=-0.526) 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 14 ASN :FLIP amide:sc= -0.567 F(o=-5.6!,f=-0.57) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.15 F(o=-1.9,f=-1.1) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.309 F(o=-1.1,f=-0.31) USER MOD Single : A 26 MET CE :methyl 159:sc= -0.321 (180deg=-1.03) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.526 0.497 1.346 1.00 0.00 N ATOM 2 CA ALA A 1 -15.165 1.132 2.631 1.00 0.00 C ATOM 3 C ALA A 1 -14.706 2.566 2.408 1.00 0.00 C ATOM 4 O ALA A 1 -15.318 3.509 2.906 1.00 0.00 O ATOM 5 CB ALA A 1 -14.081 0.330 3.337 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.837 -0.481 1.517 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.297 1.032 0.899 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.698 0.492 0.717 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.051 1.149 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.828 0.812 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.443 -0.680 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.194 0.282 2.705 1.00 0.00 H new ATOM 10 N SER A 2 -13.640 2.721 1.639 1.00 0.00 N ATOM 11 CA SER A 2 -13.067 4.031 1.361 1.00 0.00 C ATOM 12 C SER A 2 -12.023 3.895 0.250 1.00 0.00 C ATOM 13 O SER A 2 -10.834 3.731 0.530 1.00 0.00 O ATOM 14 CB SER A 2 -12.421 4.616 2.629 1.00 0.00 C ATOM 15 OG SER A 2 -11.941 5.932 2.401 1.00 0.00 O ATOM 0 H SER A 2 -13.149 1.947 1.191 1.00 0.00 H new ATOM 0 HA SER A 2 -13.857 4.709 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.150 4.627 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.598 3.977 2.949 1.00 0.00 H new ATOM 0 HG SER A 2 -11.537 6.280 3.223 1.00 0.00 H new ATOM 21 N PRO A 3 -12.452 3.928 -1.031 1.00 0.00 N ATOM 22 CA PRO A 3 -11.538 3.767 -2.173 1.00 0.00 C ATOM 23 C PRO A 3 -10.357 4.740 -2.144 1.00 0.00 C ATOM 24 O PRO A 3 -9.276 4.425 -2.635 1.00 0.00 O ATOM 25 CB PRO A 3 -12.423 4.033 -3.393 1.00 0.00 C ATOM 26 CG PRO A 3 -13.800 3.701 -2.937 1.00 0.00 C ATOM 27 CD PRO A 3 -13.856 4.083 -1.471 1.00 0.00 C ATOM 0 HA PRO A 3 -11.078 2.779 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.352 5.072 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.126 3.415 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.545 4.250 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.011 2.640 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.211 5.104 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.528 3.434 -0.910 1.00 0.00 H new ATOM 35 N GLN A 4 -10.562 5.911 -1.548 1.00 0.00 N ATOM 36 CA GLN A 4 -9.506 6.918 -1.469 1.00 0.00 C ATOM 37 C GLN A 4 -8.382 6.462 -0.550 1.00 0.00 C ATOM 38 O GLN A 4 -7.211 6.511 -0.924 1.00 0.00 O ATOM 39 CB GLN A 4 -10.043 8.263 -0.976 1.00 0.00 C ATOM 40 CG GLN A 4 -10.928 9.006 -1.975 1.00 0.00 C ATOM 41 CD GLN A 4 -11.461 10.309 -1.409 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.709 10.919 -0.501 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -12.540 10.766 -1.784 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.444 6.186 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.118 7.045 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.612 8.097 -0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.199 8.901 -0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.357 9.212 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.764 8.368 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.089 10.268 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.885 11.643 -1.395 1.00 0.00 H new ATOM 52 N GLN A 5 -8.734 6.016 0.650 1.00 0.00 N ATOM 53 CA GLN A 5 -7.722 5.605 1.622 1.00 0.00 C ATOM 54 C GLN A 5 -6.965 4.385 1.116 1.00 0.00 C ATOM 55 O GLN A 5 -5.765 4.240 1.353 1.00 0.00 O ATOM 56 CB GLN A 5 -8.334 5.314 3.000 1.00 0.00 C ATOM 57 CG GLN A 5 -8.972 3.938 3.126 1.00 0.00 C ATOM 58 CD GLN A 5 -9.546 3.672 4.506 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.526 2.948 4.648 1.00 0.00 O ATOM 60 NE2 GLN A 5 -8.936 4.245 5.533 1.00 0.00 N ATOM 0 H GLN A 5 -9.698 5.929 0.973 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.027 6.436 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.556 5.411 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.087 6.072 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.765 3.843 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.227 3.176 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.123 4.841 5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.279 4.090 6.481 1.00 0.00 H new ATOM 69 N ALA A 6 -7.673 3.517 0.409 1.00 0.00 N ATOM 70 CA ALA A 6 -7.055 2.345 -0.189 1.00 0.00 C ATOM 71 C ALA A 6 -6.095 2.761 -1.290 1.00 0.00 C ATOM 72 O ALA A 6 -4.984 2.241 -1.386 1.00 0.00 O ATOM 73 CB ALA A 6 -8.102 1.389 -0.731 1.00 0.00 C ATOM 0 H ALA A 6 -8.675 3.603 0.236 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.496 1.823 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.610 0.522 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.752 1.063 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.697 1.894 -1.492 1.00 0.00 H new ATOM 79 N LYS A 7 -6.518 3.727 -2.095 1.00 0.00 N ATOM 80 CA LYS A 7 -5.693 4.233 -3.180 1.00 0.00 C ATOM 81 C LYS A 7 -4.422 4.856 -2.612 1.00 0.00 C ATOM 82 O LYS A 7 -3.332 4.695 -3.167 1.00 0.00 O ATOM 83 CB LYS A 7 -6.480 5.261 -4.003 1.00 0.00 C ATOM 84 CG LYS A 7 -5.801 5.676 -5.297 1.00 0.00 C ATOM 85 CD LYS A 7 -5.692 4.498 -6.270 1.00 0.00 C ATOM 86 CE LYS A 7 -5.179 4.946 -7.637 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.030 6.017 -8.222 1.00 0.00 N ATOM 0 H LYS A 7 -7.430 4.176 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.414 3.409 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.461 4.848 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.646 6.148 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.364 6.485 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.806 6.065 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.021 3.745 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.668 4.027 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.155 5.307 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.153 4.092 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.863 6.072 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.032 5.800 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.791 6.929 -7.783 1.00 0.00 H new ATOM 101 N TYR A 8 -4.571 5.543 -1.484 1.00 0.00 N ATOM 102 CA TYR A 8 -3.438 6.148 -0.801 1.00 0.00 C ATOM 103 C TYR A 8 -2.538 5.075 -0.194 1.00 0.00 C ATOM 104 O TYR A 8 -1.315 5.205 -0.203 1.00 0.00 O ATOM 105 CB TYR A 8 -3.911 7.110 0.290 1.00 0.00 C ATOM 106 CG TYR A 8 -2.780 7.880 0.930 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.186 8.947 0.273 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.304 7.533 2.186 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.146 9.649 0.851 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.266 8.230 2.770 1.00 0.00 C ATOM 111 CZ TYR A 8 -0.690 9.286 2.099 1.00 0.00 C ATOM 112 OH TYR A 8 0.345 9.983 2.681 1.00 0.00 O ATOM 0 H TYR A 8 -5.469 5.694 -1.024 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.865 6.711 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.625 7.813 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.440 6.547 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.542 9.234 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.753 6.705 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.693 10.478 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.907 7.949 3.749 1.00 0.00 H new ATOM 0 HH TYR A 8 0.544 9.600 3.561 1.00 0.00 H new ATOM 122 N CYS A 9 -3.147 4.018 0.337 1.00 0.00 N ATOM 123 CA CYS A 9 -2.393 2.902 0.913 1.00 0.00 C ATOM 124 C CYS A 9 -1.456 2.312 -0.137 1.00 0.00 C ATOM 125 O CYS A 9 -0.267 2.121 0.115 1.00 0.00 O ATOM 126 CB CYS A 9 -3.342 1.813 1.445 1.00 0.00 C ATOM 127 SG CYS A 9 -2.523 0.503 2.421 1.00 0.00 S ATOM 0 H CYS A 9 -4.160 3.908 0.382 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.805 3.280 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.106 2.285 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.855 1.352 0.601 1.00 0.00 H new ATOM 132 N TYR A 10 -1.997 2.063 -1.326 1.00 0.00 N ATOM 133 CA TYR A 10 -1.216 1.503 -2.425 1.00 0.00 C ATOM 134 C TYR A 10 -0.189 2.502 -2.945 1.00 0.00 C ATOM 135 O TYR A 10 0.777 2.126 -3.608 1.00 0.00 O ATOM 136 CB TYR A 10 -2.134 1.061 -3.569 1.00 0.00 C ATOM 137 CG TYR A 10 -2.842 -0.244 -3.304 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.154 -0.280 -2.847 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.187 -1.446 -3.514 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.788 -1.480 -2.607 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.814 -2.647 -3.280 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.113 -2.663 -2.827 1.00 0.00 C ATOM 143 OH TYR A 10 -4.738 -3.866 -2.585 1.00 0.00 O ATOM 0 H TYR A 10 -2.975 2.241 -1.554 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.683 0.635 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.877 1.838 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.545 0.967 -4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.684 0.645 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.167 -1.440 -3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.807 -1.494 -2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.289 -3.575 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.124 -4.601 -2.792 1.00 0.00 H new ATOM 153 N GLU A 11 -0.408 3.773 -2.665 1.00 0.00 N ATOM 154 CA GLU A 11 0.544 4.799 -3.046 1.00 0.00 C ATOM 155 C GLU A 11 1.688 4.880 -2.034 1.00 0.00 C ATOM 156 O GLU A 11 2.855 4.804 -2.409 1.00 0.00 O ATOM 157 CB GLU A 11 -0.151 6.163 -3.180 1.00 0.00 C ATOM 158 CG GLU A 11 0.786 7.292 -3.572 1.00 0.00 C ATOM 159 CD GLU A 11 0.085 8.633 -3.610 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.396 9.026 -4.693 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.015 9.304 -2.559 1.00 0.00 O ATOM 0 H GLU A 11 -1.234 4.119 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 11 0.962 4.529 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.943 6.085 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.628 6.412 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.613 7.337 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.216 7.081 -4.551 1.00 0.00 H new ATOM 168 N GLN A 12 1.356 4.993 -0.750 1.00 0.00 N ATOM 169 CA GLN A 12 2.361 5.262 0.264 1.00 0.00 C ATOM 170 C GLN A 12 3.129 4.009 0.670 1.00 0.00 C ATOM 171 O GLN A 12 4.205 4.114 1.249 1.00 0.00 O ATOM 172 CB GLN A 12 1.750 5.923 1.507 1.00 0.00 C ATOM 173 CG GLN A 12 0.811 5.032 2.302 1.00 0.00 C ATOM 174 CD GLN A 12 0.679 5.461 3.751 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.750 6.001 4.315 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 -0.372 5.291 4.369 1.00 0.00 N flip ATOM 0 H GLN A 12 0.405 4.903 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 12 3.067 5.956 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.558 6.252 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.207 6.816 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.174 5.041 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.173 4.005 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.176 4.872 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.439 5.569 5.348 1.00 0.00 H new ATOM 185 N CYS A 13 2.589 2.834 0.367 1.00 0.00 N ATOM 186 CA CYS A 13 3.206 1.583 0.796 1.00 0.00 C ATOM 187 C CYS A 13 4.642 1.476 0.281 1.00 0.00 C ATOM 188 O CYS A 13 5.580 1.319 1.065 1.00 0.00 O ATOM 189 CB CYS A 13 2.363 0.388 0.323 1.00 0.00 C ATOM 190 SG CYS A 13 2.155 0.290 -1.483 1.00 0.00 S ATOM 0 H CYS A 13 1.730 2.721 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 13 3.243 1.572 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.829 -0.533 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.379 0.445 0.788 1.00 0.00 H new ATOM 195 N ASN A 14 4.821 1.587 -1.029 1.00 0.00 N ATOM 196 CA ASN A 14 6.158 1.561 -1.618 1.00 0.00 C ATOM 197 C ASN A 14 6.924 2.845 -1.305 1.00 0.00 C ATOM 198 O ASN A 14 8.152 2.840 -1.245 1.00 0.00 O ATOM 199 CB ASN A 14 6.100 1.288 -3.135 1.00 0.00 C ATOM 200 CG ASN A 14 5.165 2.206 -3.927 1.00 0.00 C ATOM 201 OD1 ASN A 14 5.148 3.497 -3.624 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 4.487 1.752 -4.849 1.00 0.00 N flip ATOM 0 H ASN A 14 4.063 1.695 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 14 6.705 0.735 -1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.106 1.381 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.787 0.256 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.518 0.755 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.894 2.373 -5.400 1.00 0.00 H new ATOM 209 N VAL A 15 6.192 3.937 -1.101 1.00 0.00 N ATOM 210 CA VAL A 15 6.795 5.219 -0.751 1.00 0.00 C ATOM 211 C VAL A 15 7.518 5.118 0.585 1.00 0.00 C ATOM 212 O VAL A 15 8.626 5.632 0.741 1.00 0.00 O ATOM 213 CB VAL A 15 5.738 6.348 -0.680 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.304 7.599 -0.022 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.212 6.685 -2.069 1.00 0.00 C ATOM 0 H VAL A 15 5.175 3.959 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 15 7.509 5.467 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 15 4.913 5.983 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.536 8.372 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.626 7.363 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.156 7.959 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.471 7.481 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.037 7.016 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.751 5.800 -2.508 1.00 0.00 H new ATOM 225 N ASN A 16 6.889 4.451 1.545 1.00 0.00 N ATOM 226 CA ASN A 16 7.507 4.251 2.848 1.00 0.00 C ATOM 227 C ASN A 16 8.679 3.291 2.711 1.00 0.00 C ATOM 228 O ASN A 16 9.833 3.715 2.760 1.00 0.00 O ATOM 229 CB ASN A 16 6.490 3.707 3.860 1.00 0.00 C ATOM 230 CG ASN A 16 5.315 4.640 4.077 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.552 5.936 3.971 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.199 4.195 4.345 1.00 0.00 N flip ATOM 0 H ASN A 16 5.959 4.043 1.447 1.00 0.00 H new ATOM 0 HA ASN A 16 7.866 5.212 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.121 2.742 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.990 3.534 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.056 3.188 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.418 4.833 4.494 1.00 0.00 H new ATOM 239 N LYS A 17 8.370 2.005 2.527 1.00 0.00 N ATOM 240 CA LYS A 17 9.362 1.007 2.139 1.00 0.00 C ATOM 241 C LYS A 17 8.733 -0.388 2.125 1.00 0.00 C ATOM 242 O LYS A 17 8.829 -1.113 3.118 1.00 0.00 O ATOM 243 CB LYS A 17 10.557 1.009 3.098 1.00 0.00 C ATOM 244 CG LYS A 17 11.728 0.165 2.616 1.00 0.00 C ATOM 245 CD LYS A 17 12.902 0.274 3.579 1.00 0.00 C ATOM 246 CE LYS A 17 14.041 -0.644 3.173 1.00 0.00 C ATOM 247 NZ LYS A 17 15.169 -0.583 4.135 1.00 0.00 N ATOM 0 H LYS A 17 7.428 1.630 2.643 1.00 0.00 H new ATOM 0 HA LYS A 17 9.714 1.264 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.895 2.035 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.232 0.641 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.420 -0.877 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.034 0.493 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.256 1.304 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.572 0.022 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.675 -1.669 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.395 -0.367 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.927 -1.224 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.535 0.390 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.838 -0.872 5.077 1.00 0.00 H new ATOM 261 N VAL A 18 8.097 -0.781 1.020 1.00 0.00 N ATOM 262 CA VAL A 18 7.573 -2.142 0.900 1.00 0.00 C ATOM 263 C VAL A 18 7.594 -2.580 -0.565 1.00 0.00 C ATOM 264 O VAL A 18 7.452 -1.753 -1.470 1.00 0.00 O ATOM 265 CB VAL A 18 6.112 -2.307 1.447 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.841 -1.421 2.655 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.081 -2.067 0.356 1.00 0.00 C ATOM 0 H VAL A 18 7.934 -0.187 0.207 1.00 0.00 H new ATOM 0 HA VAL A 18 8.223 -2.767 1.512 1.00 0.00 H new ATOM 0 HB VAL A 18 6.020 -3.341 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.817 -1.573 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.532 -1.679 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.980 -0.376 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.080 -2.189 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.192 -1.055 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.231 -2.785 -0.451 1.00 0.00 H new ATOM 277 N PRO A 19 7.820 -3.876 -0.815 1.00 0.00 N ATOM 278 CA PRO A 19 7.621 -4.474 -2.136 1.00 0.00 C ATOM 279 C PRO A 19 6.131 -4.579 -2.476 1.00 0.00 C ATOM 280 O PRO A 19 5.303 -4.633 -1.560 1.00 0.00 O ATOM 281 CB PRO A 19 8.233 -5.878 -2.006 1.00 0.00 C ATOM 282 CG PRO A 19 8.995 -5.871 -0.722 1.00 0.00 C ATOM 283 CD PRO A 19 8.323 -4.852 0.152 1.00 0.00 C ATOM 0 HA PRO A 19 8.075 -3.880 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.457 -6.644 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.888 -6.099 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.981 -6.856 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.040 -5.612 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.517 -5.292 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.021 -4.400 0.857 1.00 0.00 H new ATOM 291 N PHE A 20 5.779 -4.602 -3.759 1.00 0.00 N ATOM 292 CA PHE A 20 4.368 -4.586 -4.161 1.00 0.00 C ATOM 293 C PHE A 20 3.563 -5.684 -3.460 1.00 0.00 C ATOM 294 O PHE A 20 2.439 -5.446 -3.010 1.00 0.00 O ATOM 295 CB PHE A 20 4.216 -4.730 -5.679 1.00 0.00 C ATOM 296 CG PHE A 20 2.803 -4.511 -6.143 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.927 -5.578 -6.290 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.348 -3.233 -6.420 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.625 -5.369 -6.706 1.00 0.00 C ATOM 300 CE2 PHE A 20 1.049 -3.020 -6.837 1.00 0.00 C ATOM 301 CZ PHE A 20 0.185 -4.089 -6.980 1.00 0.00 C ATOM 0 H PHE A 20 6.441 -4.632 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 20 3.971 -3.618 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.872 -4.015 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.543 -5.725 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.266 -6.581 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.017 -2.393 -6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.048 -6.207 -6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.708 -2.018 -7.051 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.832 -3.924 -7.305 1.00 0.00 H new ATOM 311 N ASP A 21 4.148 -6.872 -3.351 1.00 0.00 N ATOM 312 CA ASP A 21 3.474 -8.009 -2.729 1.00 0.00 C ATOM 313 C ASP A 21 3.080 -7.695 -1.288 1.00 0.00 C ATOM 314 O ASP A 21 1.975 -8.025 -0.858 1.00 0.00 O ATOM 315 CB ASP A 21 4.356 -9.263 -2.779 1.00 0.00 C ATOM 316 CG ASP A 21 5.706 -9.081 -2.112 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.560 -8.365 -2.672 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.924 -9.669 -1.034 1.00 0.00 O ATOM 0 H ASP A 21 5.090 -7.074 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 21 2.564 -8.204 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.830 -10.087 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.509 -9.548 -3.820 1.00 0.00 H new ATOM 323 N GLN A 22 3.972 -7.041 -0.549 1.00 0.00 N ATOM 324 CA GLN A 22 3.657 -6.622 0.810 1.00 0.00 C ATOM 325 C GLN A 22 2.579 -5.542 0.789 1.00 0.00 C ATOM 326 O GLN A 22 1.702 -5.507 1.654 1.00 0.00 O ATOM 327 CB GLN A 22 4.899 -6.103 1.536 1.00 0.00 C ATOM 328 CG GLN A 22 4.604 -5.647 2.957 1.00 0.00 C ATOM 329 CD GLN A 22 5.802 -5.021 3.646 1.00 0.00 C ATOM 330 OE1 GLN A 22 6.994 -5.491 3.314 1.00 0.00 O flip ATOM 331 NE2 GLN A 22 5.653 -4.131 4.484 1.00 0.00 N flip ATOM 0 H GLN A 22 4.909 -6.792 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 22 3.288 -7.493 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.654 -6.888 1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.322 -5.271 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.787 -4.926 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.262 -6.501 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.717 -3.796 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.466 -3.728 4.950 1.00 0.00 H new ATOM 340 N CYS A 23 2.646 -4.668 -0.211 1.00 0.00 N ATOM 341 CA CYS A 23 1.645 -3.612 -0.368 1.00 0.00 C ATOM 342 C CYS A 23 0.263 -4.230 -0.507 1.00 0.00 C ATOM 343 O CYS A 23 -0.700 -3.780 0.119 1.00 0.00 O ATOM 344 CB CYS A 23 1.945 -2.724 -1.590 1.00 0.00 C ATOM 345 SG CYS A 23 0.872 -1.260 -1.728 1.00 0.00 S ATOM 0 H CYS A 23 3.377 -4.668 -0.922 1.00 0.00 H new ATOM 0 HA CYS A 23 1.680 -2.982 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.983 -2.396 -1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.842 -3.323 -2.495 1.00 0.00 H new ATOM 350 N TYR A 24 0.175 -5.281 -1.308 1.00 0.00 N ATOM 351 CA TYR A 24 -1.074 -5.997 -1.479 1.00 0.00 C ATOM 352 C TYR A 24 -1.531 -6.598 -0.157 1.00 0.00 C ATOM 353 O TYR A 24 -2.695 -6.488 0.204 1.00 0.00 O ATOM 354 CB TYR A 24 -0.941 -7.098 -2.540 1.00 0.00 C ATOM 355 CG TYR A 24 -2.238 -7.830 -2.792 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.526 -9.018 -2.134 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.181 -7.323 -3.672 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.718 -9.678 -2.346 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.374 -7.978 -3.894 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.640 -9.156 -3.227 1.00 0.00 C ATOM 361 OH TYR A 24 -5.832 -9.809 -3.440 1.00 0.00 O ATOM 0 H TYR A 24 0.955 -5.655 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.823 -5.282 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.592 -6.656 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.182 -7.813 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.805 -9.432 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.978 -6.399 -4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.928 -10.600 -1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.096 -7.571 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.368 -9.307 -4.089 1.00 0.00 H new ATOM 371 N GLN A 25 -0.609 -7.179 0.592 1.00 0.00 N ATOM 372 CA GLN A 25 -0.983 -7.943 1.777 1.00 0.00 C ATOM 373 C GLN A 25 -1.385 -7.032 2.930 1.00 0.00 C ATOM 374 O GLN A 25 -2.094 -7.454 3.841 1.00 0.00 O ATOM 375 CB GLN A 25 0.144 -8.892 2.206 1.00 0.00 C ATOM 376 CG GLN A 25 0.309 -10.102 1.279 1.00 0.00 C ATOM 377 CD GLN A 25 -0.955 -10.942 1.183 1.00 0.00 C ATOM 378 OE1 GLN A 25 -1.712 -11.016 2.269 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -1.242 -11.536 0.142 1.00 0.00 N flip ATOM 0 H GLN A 25 0.393 -7.139 0.407 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.852 -8.544 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.082 -8.338 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.054 -9.244 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.588 -9.757 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.127 -10.724 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.636 -11.456 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.086 -12.108 0.097 1.00 0.00 H new ATOM 388 N MET A 26 -0.940 -5.786 2.897 1.00 0.00 N ATOM 389 CA MET A 26 -1.333 -4.829 3.918 1.00 0.00 C ATOM 390 C MET A 26 -2.603 -4.076 3.513 1.00 0.00 C ATOM 391 O MET A 26 -3.527 -3.929 4.315 1.00 0.00 O ATOM 392 CB MET A 26 -0.191 -3.844 4.189 1.00 0.00 C ATOM 393 CG MET A 26 -0.560 -2.702 5.133 1.00 0.00 C ATOM 394 SD MET A 26 0.786 -1.517 5.355 1.00 0.00 S ATOM 395 CE MET A 26 1.115 -1.027 3.661 1.00 0.00 C ATOM 0 H MET A 26 -0.313 -5.417 2.182 1.00 0.00 H new ATOM 0 HA MET A 26 -1.549 -5.381 4.833 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.653 -4.390 4.610 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.143 -3.423 3.241 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.435 -2.182 4.743 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.840 -3.114 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.630 -0.066 3.654 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.742 -1.778 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.174 -0.938 3.119 1.00 0.00 H new ATOM 405 N CYS A 27 -2.657 -3.610 2.271 1.00 0.00 N ATOM 406 CA CYS A 27 -3.775 -2.780 1.826 1.00 0.00 C ATOM 407 C CYS A 27 -4.997 -3.606 1.404 1.00 0.00 C ATOM 408 O CYS A 27 -6.121 -3.111 1.475 1.00 0.00 O ATOM 409 CB CYS A 27 -3.345 -1.861 0.675 1.00 0.00 C ATOM 410 SG CYS A 27 -1.876 -0.843 1.042 1.00 0.00 S ATOM 0 H CYS A 27 -1.949 -3.789 1.559 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.071 -2.176 2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.140 -2.471 -0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.176 -1.203 0.421 1.00 0.00 H new ATOM 415 N SER A 28 -4.797 -4.852 0.972 1.00 0.00 N ATOM 416 CA SER A 28 -5.928 -5.671 0.509 1.00 0.00 C ATOM 417 C SER A 28 -6.950 -5.932 1.629 1.00 0.00 C ATOM 418 O SER A 28 -8.136 -5.696 1.420 1.00 0.00 O ATOM 419 CB SER A 28 -5.479 -6.990 -0.146 1.00 0.00 C ATOM 420 OG SER A 28 -6.579 -7.673 -0.726 1.00 0.00 O ATOM 0 H SER A 28 -3.887 -5.311 0.931 1.00 0.00 H new ATOM 0 HA SER A 28 -6.424 -5.083 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.731 -6.783 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.004 -7.627 0.600 1.00 0.00 H new ATOM 0 HG SER A 28 -6.269 -8.205 -1.488 1.00 0.00 H new ATOM 426 N PRO A 29 -6.537 -6.421 2.828 1.00 0.00 N ATOM 427 CA PRO A 29 -7.467 -6.612 3.960 1.00 0.00 C ATOM 428 C PRO A 29 -8.255 -5.345 4.301 1.00 0.00 C ATOM 429 O PRO A 29 -9.404 -5.410 4.737 1.00 0.00 O ATOM 430 CB PRO A 29 -6.543 -6.991 5.116 1.00 0.00 C ATOM 431 CG PRO A 29 -5.387 -7.652 4.452 1.00 0.00 C ATOM 432 CD PRO A 29 -5.174 -6.884 3.171 1.00 0.00 C ATOM 0 HA PRO A 29 -8.227 -7.361 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.230 -6.113 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.037 -7.662 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.499 -7.619 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.596 -8.703 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.488 -6.049 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.753 -7.515 2.388 1.00 0.00 H new ATOM 440 N LEU A 30 -7.617 -4.202 4.100 1.00 0.00 N ATOM 441 CA LEU A 30 -8.252 -2.902 4.301 1.00 0.00 C ATOM 442 C LEU A 30 -9.367 -2.682 3.285 1.00 0.00 C ATOM 443 O LEU A 30 -10.497 -2.343 3.638 1.00 0.00 O ATOM 444 CB LEU A 30 -7.203 -1.786 4.167 1.00 0.00 C ATOM 445 CG LEU A 30 -7.771 -0.375 3.976 1.00 0.00 C ATOM 446 CD1 LEU A 30 -8.587 0.060 5.185 1.00 0.00 C ATOM 447 CD2 LEU A 30 -6.649 0.616 3.697 1.00 0.00 C ATOM 0 H LEU A 30 -6.646 -4.146 3.793 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.685 -2.880 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.576 -1.790 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.556 -2.017 3.321 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.439 -0.394 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.976 1.065 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.417 -0.631 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.953 0.059 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.069 1.613 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.954 0.624 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.120 0.321 2.791 1.00 0.00 H new ATOM 459 N GLU A 31 -9.029 -2.887 2.027 1.00 0.00 N ATOM 460 CA GLU A 31 -9.934 -2.602 0.922 1.00 0.00 C ATOM 461 C GLU A 31 -11.016 -3.677 0.808 1.00 0.00 C ATOM 462 O GLU A 31 -12.204 -3.365 0.716 1.00 0.00 O ATOM 463 CB GLU A 31 -9.121 -2.481 -0.378 1.00 0.00 C ATOM 464 CG GLU A 31 -9.878 -1.886 -1.571 1.00 0.00 C ATOM 465 CD GLU A 31 -10.887 -2.835 -2.183 1.00 0.00 C ATOM 466 OE1 GLU A 31 -10.476 -3.887 -2.712 1.00 0.00 O ATOM 467 OE2 GLU A 31 -12.096 -2.522 -2.160 1.00 0.00 O ATOM 0 H GLU A 31 -8.122 -3.255 1.739 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.444 -1.657 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.243 -1.865 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.760 -3.472 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.392 -0.980 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.160 -1.590 -2.336 1.00 0.00 H new ATOM 474 N ARG A 32 -10.611 -4.935 0.841 1.00 0.00 N ATOM 475 CA ARG A 32 -11.557 -6.040 0.689 1.00 0.00 C ATOM 476 C ARG A 32 -12.285 -6.302 1.998 1.00 0.00 C ATOM 477 O ARG A 32 -11.769 -6.985 2.886 1.00 0.00 O ATOM 478 CB ARG A 32 -10.873 -7.337 0.202 1.00 0.00 C ATOM 479 CG ARG A 32 -10.433 -7.329 -1.280 1.00 0.00 C ATOM 480 CD ARG A 32 -11.601 -7.179 -2.263 1.00 0.00 C ATOM 481 NE ARG A 32 -12.233 -5.862 -2.177 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.542 -5.655 -2.032 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.383 -6.681 -1.945 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.003 -4.414 -1.958 1.00 0.00 N ATOM 0 H ARG A 32 -9.641 -5.221 0.971 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.275 -5.739 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.997 -7.523 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.558 -8.171 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.729 -6.512 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.901 -8.255 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.241 -7.341 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.344 -7.950 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.628 -5.043 -2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.028 -7.636 -1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.383 -6.513 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.357 -3.626 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.003 -4.247 -1.847 1.00 0.00 H new ATOM 498 N SER A 33 -13.481 -5.748 2.110 1.00 0.00 N ATOM 499 CA SER A 33 -14.295 -5.925 3.300 1.00 0.00 C ATOM 500 C SER A 33 -15.599 -6.630 2.937 1.00 0.00 C ATOM 501 CB SER A 33 -14.578 -4.570 3.959 1.00 0.00 C ATOM 502 OG SER A 33 -13.374 -3.841 4.144 1.00 0.00 O ATOM 0 H SER A 33 -13.911 -5.170 1.388 1.00 0.00 H new ATOM 0 HA SER A 33 -13.751 -6.544 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.266 -3.995 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.068 -4.723 4.921 1.00 0.00 H new ATOM 0 HG SER A 33 -13.575 -2.979 4.564 1.00 0.00 H new TER 508 SER A 33