USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 289 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -160:sc= -0.123 (180deg=-0.575) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0513 (180deg=-0.401) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.907 X(o=-0.91,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= 0.0744 X(o=0.074,f=0) USER MOD Single : A 40 SER OG : rot -64:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 7 7.769 7.789 -0.444 1.00 0.00 N ATOM 59 CA VAL A 7 6.840 6.788 0.066 1.00 0.00 C ATOM 60 C VAL A 7 5.444 6.996 -0.514 1.00 0.00 C ATOM 61 O VAL A 7 4.726 6.035 -0.789 1.00 0.00 O ATOM 62 CB VAL A 7 6.777 6.821 1.604 1.00 0.00 C ATOM 63 CG1 VAL A 7 5.566 6.060 2.129 1.00 0.00 C ATOM 64 CG2 VAL A 7 8.054 6.249 2.173 1.00 0.00 C ATOM 0 HA VAL A 7 7.209 5.811 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 7 6.672 7.858 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.553 6.104 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.655 6.511 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.623 5.020 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.010 6.272 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.173 5.219 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.902 6.842 1.832 1.00 0.00 H new ATOM 74 N ASP A 8 5.071 8.260 -0.699 1.00 0.00 N ATOM 75 CA ASP A 8 3.765 8.604 -1.252 1.00 0.00 C ATOM 76 C ASP A 8 3.544 7.899 -2.583 1.00 0.00 C ATOM 77 O ASP A 8 2.460 7.382 -2.846 1.00 0.00 O ATOM 78 CB ASP A 8 3.655 10.117 -1.441 1.00 0.00 C ATOM 79 CG ASP A 8 2.286 10.539 -1.939 1.00 0.00 C ATOM 80 OD1 ASP A 8 2.080 10.553 -3.170 1.00 0.00 O ATOM 81 OD2 ASP A 8 1.420 10.858 -1.097 1.00 0.00 O ATOM 0 H ASP A 8 5.657 9.064 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 8 2.998 8.275 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.864 10.615 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.414 10.448 -2.149 1.00 0.00 H new ATOM 86 N ALA A 9 4.576 7.887 -3.422 1.00 0.00 N ATOM 87 CA ALA A 9 4.490 7.233 -4.721 1.00 0.00 C ATOM 88 C ALA A 9 4.077 5.780 -4.555 1.00 0.00 C ATOM 89 O ALA A 9 3.334 5.237 -5.373 1.00 0.00 O ATOM 90 CB ALA A 9 5.820 7.329 -5.451 1.00 0.00 C ATOM 0 H ALA A 9 5.478 8.321 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 9 3.732 7.741 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.740 6.836 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.080 8.377 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.596 6.843 -4.859 1.00 0.00 H new ATOM 96 N LYS A 10 4.565 5.153 -3.489 1.00 0.00 N ATOM 97 CA LYS A 10 4.230 3.765 -3.209 1.00 0.00 C ATOM 98 C LYS A 10 2.779 3.674 -2.757 1.00 0.00 C ATOM 99 O LYS A 10 2.047 2.753 -3.127 1.00 0.00 O ATOM 100 CB LYS A 10 5.154 3.193 -2.127 1.00 0.00 C ATOM 101 CG LYS A 10 6.614 3.629 -2.243 1.00 0.00 C ATOM 102 CD LYS A 10 7.133 3.584 -3.676 1.00 0.00 C ATOM 103 CE LYS A 10 7.115 2.177 -4.244 1.00 0.00 C ATOM 104 NZ LYS A 10 7.796 2.105 -5.566 1.00 0.00 N ATOM 0 H LYS A 10 5.191 5.584 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 10 4.365 3.180 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.776 3.492 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.109 2.105 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.717 4.643 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.232 2.984 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.524 4.236 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.151 3.974 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.604 1.497 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.084 1.840 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.763 1.128 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.314 2.735 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.787 2.402 -5.463 1.00 0.00 H new ATOM 118 N ILE A 11 2.367 4.648 -1.954 1.00 0.00 N ATOM 119 CA ILE A 11 1.004 4.693 -1.461 1.00 0.00 C ATOM 120 C ILE A 11 0.027 4.793 -2.621 1.00 0.00 C ATOM 121 O ILE A 11 -0.851 3.948 -2.777 1.00 0.00 O ATOM 122 CB ILE A 11 0.778 5.878 -0.511 1.00 0.00 C ATOM 123 CG1 ILE A 11 1.789 5.832 0.639 1.00 0.00 C ATOM 124 CG2 ILE A 11 -0.651 5.841 0.010 1.00 0.00 C ATOM 125 CD1 ILE A 11 1.584 6.914 1.679 1.00 0.00 C ATOM 0 H ILE A 11 2.959 5.414 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 11 0.832 3.770 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 11 0.928 6.814 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.728 4.858 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.795 5.921 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.814 6.681 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.345 5.908 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.819 4.907 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.338 6.815 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.675 7.893 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.591 6.813 2.118 1.00 0.00 H new ATOM 137 N ALA A 12 0.180 5.842 -3.427 1.00 0.00 N ATOM 138 CA ALA A 12 -0.673 6.036 -4.589 1.00 0.00 C ATOM 139 C ALA A 12 -0.627 4.795 -5.465 1.00 0.00 C ATOM 140 O ALA A 12 -1.627 4.409 -6.073 1.00 0.00 O ATOM 141 CB ALA A 12 -0.236 7.265 -5.374 1.00 0.00 C ATOM 0 H ALA A 12 0.886 6.567 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.698 6.198 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.886 7.394 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.302 8.146 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.793 7.136 -5.709 1.00 0.00 H new ATOM 147 N LYS A 13 0.551 4.174 -5.520 1.00 0.00 N ATOM 148 CA LYS A 13 0.734 2.957 -6.297 1.00 0.00 C ATOM 149 C LYS A 13 -0.282 1.912 -5.853 1.00 0.00 C ATOM 150 O LYS A 13 -0.797 1.146 -6.667 1.00 0.00 O ATOM 151 CB LYS A 13 2.157 2.421 -6.129 1.00 0.00 C ATOM 152 CG LYS A 13 2.457 1.205 -6.992 1.00 0.00 C ATOM 153 CD LYS A 13 2.470 1.552 -8.468 1.00 0.00 C ATOM 154 CE LYS A 13 3.532 0.763 -9.195 1.00 0.00 C ATOM 155 NZ LYS A 13 3.392 0.864 -10.674 1.00 0.00 N ATOM 0 H LYS A 13 1.389 4.496 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 13 0.579 3.183 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.865 3.213 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.317 2.162 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.423 0.787 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.709 0.434 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.493 1.343 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.653 2.619 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.517 1.124 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.473 -0.284 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.141 0.307 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.463 0.496 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.474 1.860 -10.963 1.00 0.00 H new ATOM 169 N LEU A 14 -0.565 1.888 -4.550 1.00 0.00 N ATOM 170 CA LEU A 14 -1.542 0.953 -4.002 1.00 0.00 C ATOM 171 C LEU A 14 -2.951 1.528 -4.105 1.00 0.00 C ATOM 172 O LEU A 14 -3.929 0.787 -4.203 1.00 0.00 O ATOM 173 CB LEU A 14 -1.227 0.625 -2.544 1.00 0.00 C ATOM 174 CG LEU A 14 -0.320 -0.586 -2.334 1.00 0.00 C ATOM 175 CD1 LEU A 14 1.134 -0.218 -2.573 1.00 0.00 C ATOM 176 CD2 LEU A 14 -0.513 -1.159 -0.939 1.00 0.00 C ATOM 0 H LEU A 14 -0.133 2.502 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.487 0.035 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.757 1.495 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.165 0.453 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.595 -1.352 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.762 -1.096 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.256 0.139 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.430 0.567 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.141 -2.021 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.268 -0.400 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.551 -1.468 -0.813 1.00 0.00 H new ATOM 188 N MET A 15 -3.043 2.855 -4.080 1.00 0.00 N ATOM 189 CA MET A 15 -4.330 3.535 -4.173 1.00 0.00 C ATOM 190 C MET A 15 -4.956 3.293 -5.540 1.00 0.00 C ATOM 191 O MET A 15 -6.163 3.454 -5.718 1.00 0.00 O ATOM 192 CB MET A 15 -4.156 5.036 -3.926 1.00 0.00 C ATOM 193 CG MET A 15 -5.231 5.634 -3.031 1.00 0.00 C ATOM 194 SD MET A 15 -6.868 5.608 -3.787 1.00 0.00 S ATOM 195 CE MET A 15 -6.624 6.730 -5.162 1.00 0.00 C ATOM 0 H MET A 15 -2.241 3.480 -3.996 1.00 0.00 H new ATOM 0 HA MET A 15 -4.994 3.131 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.180 5.211 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.161 5.556 -4.884 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.262 5.083 -2.091 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.964 6.663 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.590 7.097 -5.508 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.010 7.571 -4.841 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.123 6.205 -5.975 1.00 0.00 H new ATOM 205 N GLY A 16 -4.120 2.910 -6.503 1.00 0.00 N ATOM 206 CA GLY A 16 -4.605 2.633 -7.842 1.00 0.00 C ATOM 207 C GLY A 16 -5.794 1.698 -7.828 1.00 0.00 C ATOM 208 O GLY A 16 -6.856 2.017 -8.363 1.00 0.00 O ATOM 0 H GLY A 16 -3.115 2.787 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.884 3.568 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.803 2.192 -8.435 1.00 0.00 H new ATOM 212 N GLU A 17 -5.606 0.535 -7.214 1.00 0.00 N ATOM 213 CA GLU A 17 -6.668 -0.457 -7.107 1.00 0.00 C ATOM 214 C GLU A 17 -7.894 0.145 -6.428 1.00 0.00 C ATOM 215 O GLU A 17 -9.031 -0.168 -6.782 1.00 0.00 O ATOM 216 CB GLU A 17 -6.179 -1.675 -6.323 1.00 0.00 C ATOM 217 CG GLU A 17 -5.348 -2.631 -7.160 1.00 0.00 C ATOM 218 CD GLU A 17 -4.611 -3.654 -6.321 1.00 0.00 C ATOM 219 OE1 GLU A 17 -5.203 -4.713 -6.019 1.00 0.00 O ATOM 220 OE2 GLU A 17 -3.442 -3.398 -5.962 1.00 0.00 O ATOM 0 H GLU A 17 -4.725 0.256 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.946 -0.774 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.586 -1.338 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.040 -2.209 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.998 -3.147 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.627 -2.061 -7.747 1.00 0.00 H new ATOM 227 N GLY A 18 -7.648 1.012 -5.450 1.00 0.00 N ATOM 228 CA GLY A 18 -8.731 1.659 -4.735 1.00 0.00 C ATOM 229 C GLY A 18 -9.255 0.814 -3.592 1.00 0.00 C ATOM 230 O GLY A 18 -10.202 0.044 -3.759 1.00 0.00 O ATOM 0 H GLY A 18 -6.713 1.278 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.385 2.617 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.545 1.872 -5.429 1.00 0.00 H new ATOM 234 N TYR A 19 -8.637 0.961 -2.425 1.00 0.00 N ATOM 235 CA TYR A 19 -9.036 0.206 -1.245 1.00 0.00 C ATOM 236 C TYR A 19 -8.817 1.023 0.023 1.00 0.00 C ATOM 237 O TYR A 19 -8.387 2.175 -0.041 1.00 0.00 O ATOM 238 CB TYR A 19 -8.247 -1.102 -1.170 1.00 0.00 C ATOM 239 CG TYR A 19 -8.886 -2.236 -1.940 1.00 0.00 C ATOM 240 CD1 TYR A 19 -9.860 -3.034 -1.356 1.00 0.00 C ATOM 241 CD2 TYR A 19 -8.517 -2.506 -3.252 1.00 0.00 C ATOM 242 CE1 TYR A 19 -10.449 -4.070 -2.057 1.00 0.00 C ATOM 243 CE2 TYR A 19 -9.101 -3.539 -3.960 1.00 0.00 C ATOM 244 CZ TYR A 19 -10.066 -4.318 -3.358 1.00 0.00 C ATOM 245 OH TYR A 19 -10.652 -5.346 -4.060 1.00 0.00 O ATOM 0 H TYR A 19 -7.856 1.598 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.099 -0.021 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.241 -0.933 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.143 -1.395 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.163 -2.843 -0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.761 -1.898 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.205 -4.682 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.803 -3.735 -4.979 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.271 -5.385 -4.962 1.00 0.00 H new ATOM 255 N ALA A 20 -9.124 0.425 1.173 1.00 0.00 N ATOM 256 CA ALA A 20 -8.950 1.096 2.457 1.00 0.00 C ATOM 257 C ALA A 20 -7.588 1.772 2.530 1.00 0.00 C ATOM 258 O ALA A 20 -6.562 1.147 2.270 1.00 0.00 O ATOM 259 CB ALA A 20 -9.104 0.101 3.597 1.00 0.00 C ATOM 0 H ALA A 20 -9.494 -0.523 1.240 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.720 1.861 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.972 0.615 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.098 -0.344 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.352 -0.682 3.500 1.00 0.00 H new ATOM 265 N PHE A 21 -7.584 3.049 2.893 1.00 0.00 N ATOM 266 CA PHE A 21 -6.345 3.803 2.990 1.00 0.00 C ATOM 267 C PHE A 21 -5.545 3.329 4.190 1.00 0.00 C ATOM 268 O PHE A 21 -4.317 3.297 4.162 1.00 0.00 O ATOM 269 CB PHE A 21 -6.635 5.300 3.103 1.00 0.00 C ATOM 270 CG PHE A 21 -7.345 5.860 1.903 1.00 0.00 C ATOM 271 CD1 PHE A 21 -6.628 6.348 0.822 1.00 0.00 C ATOM 272 CD2 PHE A 21 -8.730 5.898 1.856 1.00 0.00 C ATOM 273 CE1 PHE A 21 -7.279 6.862 -0.284 1.00 0.00 C ATOM 274 CE2 PHE A 21 -9.386 6.412 0.753 1.00 0.00 C ATOM 275 CZ PHE A 21 -8.659 6.894 -0.317 1.00 0.00 C ATOM 0 H PHE A 21 -8.423 3.581 3.124 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.761 3.635 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.240 5.480 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.696 5.835 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.548 6.326 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.303 5.522 2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.709 7.238 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.465 6.436 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.170 7.296 -1.180 1.00 0.00 H new ATOM 285 N GLU A 22 -6.257 2.949 5.241 1.00 0.00 N ATOM 286 CA GLU A 22 -5.618 2.464 6.457 1.00 0.00 C ATOM 287 C GLU A 22 -4.875 1.161 6.186 1.00 0.00 C ATOM 288 O GLU A 22 -3.755 0.962 6.657 1.00 0.00 O ATOM 289 CB GLU A 22 -6.657 2.257 7.560 1.00 0.00 C ATOM 290 CG GLU A 22 -7.311 3.546 8.030 1.00 0.00 C ATOM 291 CD GLU A 22 -6.319 4.509 8.654 1.00 0.00 C ATOM 292 OE1 GLU A 22 -6.023 4.357 9.858 1.00 0.00 O ATOM 293 OE2 GLU A 22 -5.838 5.412 7.939 1.00 0.00 O ATOM 0 H GLU A 22 -7.276 2.967 5.277 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.899 3.213 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.429 1.579 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.180 1.771 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.800 4.030 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.089 3.311 8.756 1.00 0.00 H new ATOM 300 N GLU A 23 -5.506 0.279 5.414 1.00 0.00 N ATOM 301 CA GLU A 23 -4.911 -1.009 5.077 1.00 0.00 C ATOM 302 C GLU A 23 -3.691 -0.839 4.176 1.00 0.00 C ATOM 303 O GLU A 23 -2.771 -1.655 4.205 1.00 0.00 O ATOM 304 CB GLU A 23 -5.945 -1.905 4.400 1.00 0.00 C ATOM 305 CG GLU A 23 -7.051 -2.345 5.340 1.00 0.00 C ATOM 306 CD GLU A 23 -7.929 -3.427 4.744 1.00 0.00 C ATOM 307 OE1 GLU A 23 -8.878 -3.083 4.007 1.00 0.00 O ATOM 308 OE2 GLU A 23 -7.670 -4.619 5.015 1.00 0.00 O ATOM 0 H GLU A 23 -6.430 0.434 5.011 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.581 -1.479 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.383 -1.372 3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.446 -2.786 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.610 -2.710 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.667 -1.484 5.598 1.00 0.00 H new ATOM 315 N VAL A 24 -3.687 0.227 3.381 1.00 0.00 N ATOM 316 CA VAL A 24 -2.579 0.498 2.470 1.00 0.00 C ATOM 317 C VAL A 24 -1.335 0.961 3.224 1.00 0.00 C ATOM 318 O VAL A 24 -0.308 0.278 3.220 1.00 0.00 O ATOM 319 CB VAL A 24 -2.961 1.567 1.425 1.00 0.00 C ATOM 320 CG1 VAL A 24 -1.761 1.942 0.568 1.00 0.00 C ATOM 321 CG2 VAL A 24 -4.104 1.074 0.551 1.00 0.00 C ATOM 0 H VAL A 24 -4.438 0.917 3.349 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.357 -0.440 1.960 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.291 2.459 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.056 2.697 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.970 2.341 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.396 1.057 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.360 1.841 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.799 0.165 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.973 0.862 1.174 1.00 0.00 H new ATOM 331 N LYS A 25 -1.431 2.123 3.867 1.00 0.00 N ATOM 332 CA LYS A 25 -0.308 2.677 4.620 1.00 0.00 C ATOM 333 C LYS A 25 0.253 1.661 5.607 1.00 0.00 C ATOM 334 O LYS A 25 1.467 1.526 5.738 1.00 0.00 O ATOM 335 CB LYS A 25 -0.728 3.945 5.370 1.00 0.00 C ATOM 336 CG LYS A 25 -0.845 5.180 4.493 1.00 0.00 C ATOM 337 CD LYS A 25 -2.073 5.127 3.598 1.00 0.00 C ATOM 338 CE LYS A 25 -2.316 6.461 2.909 1.00 0.00 C ATOM 339 NZ LYS A 25 -2.635 7.539 3.885 1.00 0.00 N ATOM 0 H LYS A 25 -2.273 2.698 3.882 1.00 0.00 H new ATOM 0 HA LYS A 25 0.471 2.929 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.688 3.765 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.004 4.142 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.893 6.069 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.049 5.274 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.945 4.346 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.947 4.858 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.432 6.740 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.137 6.359 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.085 8.335 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.285 7.171 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.759 7.866 4.340 1.00 0.00 H new ATOM 353 N ARG A 26 -0.630 0.951 6.304 1.00 0.00 N ATOM 354 CA ARG A 26 -0.192 -0.044 7.275 1.00 0.00 C ATOM 355 C ARG A 26 0.529 -1.193 6.577 1.00 0.00 C ATOM 356 O ARG A 26 1.530 -1.703 7.078 1.00 0.00 O ATOM 357 CB ARG A 26 -1.376 -0.573 8.090 1.00 0.00 C ATOM 358 CG ARG A 26 -2.220 -1.604 7.364 1.00 0.00 C ATOM 359 CD ARG A 26 -3.430 -1.993 8.188 1.00 0.00 C ATOM 360 NE ARG A 26 -3.051 -2.556 9.482 1.00 0.00 N ATOM 361 CZ ARG A 26 -3.800 -3.421 10.160 1.00 0.00 C ATOM 362 NH1 ARG A 26 -4.965 -3.823 9.671 1.00 0.00 N ATOM 363 NH2 ARG A 26 -3.383 -3.884 11.331 1.00 0.00 N ATOM 0 H ARG A 26 -1.642 1.045 6.216 1.00 0.00 H new ATOM 0 HA ARG A 26 0.505 0.438 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.999 -1.013 9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.012 0.266 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.543 -1.203 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.619 -2.489 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.060 -1.117 8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.026 -2.720 7.636 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.161 -2.269 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.290 -3.469 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.536 -4.487 10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.488 -3.577 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.957 -4.547 11.851 1.00 0.00 H new ATOM 377 N ALA A 27 0.020 -1.595 5.415 1.00 0.00 N ATOM 378 CA ALA A 27 0.630 -2.680 4.654 1.00 0.00 C ATOM 379 C ALA A 27 1.963 -2.239 4.061 1.00 0.00 C ATOM 380 O ALA A 27 2.778 -3.065 3.650 1.00 0.00 O ATOM 381 CB ALA A 27 -0.307 -3.155 3.555 1.00 0.00 C ATOM 0 H ALA A 27 -0.809 -1.188 4.982 1.00 0.00 H new ATOM 0 HA ALA A 27 0.814 -3.511 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.166 -3.964 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.236 -3.514 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.524 -2.328 2.879 1.00 0.00 H new ATOM 387 N LEU A 28 2.176 -0.927 4.020 1.00 0.00 N ATOM 388 CA LEU A 28 3.408 -0.365 3.481 1.00 0.00 C ATOM 389 C LEU A 28 4.471 -0.223 4.566 1.00 0.00 C ATOM 390 O LEU A 28 5.589 -0.715 4.421 1.00 0.00 O ATOM 391 CB LEU A 28 3.134 0.996 2.838 1.00 0.00 C ATOM 392 CG LEU A 28 2.402 0.947 1.497 1.00 0.00 C ATOM 393 CD1 LEU A 28 1.963 2.341 1.087 1.00 0.00 C ATOM 394 CD2 LEU A 28 3.298 0.338 0.432 1.00 0.00 C ATOM 0 H LEU A 28 1.509 -0.232 4.355 1.00 0.00 H new ATOM 0 HA LEU A 28 3.784 -1.051 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.547 1.596 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.084 1.511 2.696 1.00 0.00 H new ATOM 0 HG LEU A 28 1.515 0.322 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.443 2.292 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.293 2.749 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.838 2.985 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.765 0.309 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.198 0.943 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.574 -0.675 0.725 1.00 0.00 H new ATOM 406 N GLU A 29 4.111 0.451 5.654 1.00 0.00 N ATOM 407 CA GLU A 29 5.031 0.667 6.765 1.00 0.00 C ATOM 408 C GLU A 29 5.498 -0.660 7.359 1.00 0.00 C ATOM 409 O GLU A 29 6.699 -0.908 7.475 1.00 0.00 O ATOM 410 CB GLU A 29 4.364 1.515 7.848 1.00 0.00 C ATOM 411 CG GLU A 29 3.940 2.894 7.368 1.00 0.00 C ATOM 412 CD GLU A 29 3.248 3.701 8.449 1.00 0.00 C ATOM 413 OE1 GLU A 29 2.007 3.607 8.558 1.00 0.00 O ATOM 414 OE2 GLU A 29 3.947 4.426 9.187 1.00 0.00 O ATOM 0 H GLU A 29 3.186 0.858 5.790 1.00 0.00 H new ATOM 0 HA GLU A 29 5.903 1.196 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.489 0.986 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.053 1.627 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.817 3.439 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.270 2.787 6.515 1.00 0.00 H new ATOM 421 N ILE A 30 4.542 -1.507 7.735 1.00 0.00 N ATOM 422 CA ILE A 30 4.856 -2.808 8.319 1.00 0.00 C ATOM 423 C ILE A 30 5.772 -3.620 7.408 1.00 0.00 C ATOM 424 O ILE A 30 6.752 -4.207 7.866 1.00 0.00 O ATOM 425 CB ILE A 30 3.575 -3.617 8.605 1.00 0.00 C ATOM 426 CG1 ILE A 30 2.672 -2.843 9.568 1.00 0.00 C ATOM 427 CG2 ILE A 30 3.935 -4.977 9.185 1.00 0.00 C ATOM 428 CD1 ILE A 30 1.334 -3.506 9.821 1.00 0.00 C ATOM 0 H ILE A 30 3.544 -1.315 7.646 1.00 0.00 H new ATOM 0 HA ILE A 30 5.372 -2.616 9.259 1.00 0.00 H new ATOM 0 HB ILE A 30 3.035 -3.772 7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.191 -2.721 10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.501 -1.844 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.023 -5.541 9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.552 -5.524 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.487 -4.841 10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.752 -2.898 10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.793 -3.604 8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.493 -4.494 10.252 1.00 0.00 H new ATOM 440 N ALA A 31 5.451 -3.648 6.119 1.00 0.00 N ATOM 441 CA ALA A 31 6.248 -4.391 5.151 1.00 0.00 C ATOM 442 C ALA A 31 7.353 -3.519 4.562 1.00 0.00 C ATOM 443 O ALA A 31 7.614 -3.560 3.359 1.00 0.00 O ATOM 444 CB ALA A 31 5.358 -4.942 4.047 1.00 0.00 C ATOM 0 H ALA A 31 4.645 -3.165 5.721 1.00 0.00 H new ATOM 0 HA ALA A 31 6.721 -5.225 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.966 -5.495 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.612 -5.608 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.857 -4.118 3.538 1.00 0.00 H new ATOM 450 N GLN A 32 8.003 -2.735 5.420 1.00 0.00 N ATOM 451 CA GLN A 32 9.082 -1.847 4.993 1.00 0.00 C ATOM 452 C GLN A 32 8.605 -0.885 3.903 1.00 0.00 C ATOM 453 O GLN A 32 8.078 0.187 4.203 1.00 0.00 O ATOM 454 CB GLN A 32 10.287 -2.659 4.505 1.00 0.00 C ATOM 455 CG GLN A 32 11.088 -3.295 5.629 1.00 0.00 C ATOM 456 CD GLN A 32 12.273 -4.094 5.120 1.00 0.00 C ATOM 457 OE1 GLN A 32 12.162 -5.292 4.859 1.00 0.00 O ATOM 458 NE2 GLN A 32 13.416 -3.432 4.978 1.00 0.00 N ATOM 0 H GLN A 32 7.800 -2.697 6.419 1.00 0.00 H new ATOM 0 HA GLN A 32 9.390 -1.254 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.938 -3.441 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.943 -2.008 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.443 -2.516 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.437 -3.948 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.462 -2.439 5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.248 -3.917 4.640 1.00 0.00 H new ATOM 467 N ASN A 33 8.792 -1.271 2.642 1.00 0.00 N ATOM 468 CA ASN A 33 8.374 -0.442 1.516 1.00 0.00 C ATOM 469 C ASN A 33 8.048 -1.305 0.301 1.00 0.00 C ATOM 470 O ASN A 33 7.755 -0.789 -0.778 1.00 0.00 O ATOM 471 CB ASN A 33 9.466 0.568 1.156 1.00 0.00 C ATOM 472 CG ASN A 33 9.736 1.559 2.273 1.00 0.00 C ATOM 473 OD1 ASN A 33 10.581 1.326 3.136 1.00 0.00 O ATOM 474 ND2 ASN A 33 9.014 2.674 2.259 1.00 0.00 N ATOM 0 H ASN A 33 9.230 -2.153 2.376 1.00 0.00 H new ATOM 0 HA ASN A 33 7.476 0.099 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.386 0.034 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.172 1.110 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.150 3.379 2.984 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.324 2.825 1.523 1.00 0.00 H new ATOM 481 N ASN A 34 8.099 -2.621 0.484 1.00 0.00 N ATOM 482 CA ASN A 34 7.811 -3.558 -0.597 1.00 0.00 C ATOM 483 C ASN A 34 6.376 -3.407 -1.087 1.00 0.00 C ATOM 484 O ASN A 34 5.426 -3.553 -0.316 1.00 0.00 O ATOM 485 CB ASN A 34 8.054 -4.994 -0.134 1.00 0.00 C ATOM 486 CG ASN A 34 9.488 -5.228 0.300 1.00 0.00 C ATOM 487 OD1 ASN A 34 10.342 -5.588 -0.510 1.00 0.00 O ATOM 488 ND2 ASN A 34 9.759 -5.026 1.584 1.00 0.00 N ATOM 0 H ASN A 34 8.337 -3.063 1.372 1.00 0.00 H new ATOM 0 HA ASN A 34 8.482 -3.330 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.385 -5.223 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.806 -5.681 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.706 -5.169 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.020 -4.728 2.220 1.00 0.00 H new ATOM 495 N VAL A 35 6.226 -3.113 -2.375 1.00 0.00 N ATOM 496 CA VAL A 35 4.910 -2.944 -2.975 1.00 0.00 C ATOM 497 C VAL A 35 4.332 -4.283 -3.418 1.00 0.00 C ATOM 498 O VAL A 35 3.130 -4.516 -3.299 1.00 0.00 O ATOM 499 CB VAL A 35 4.962 -1.985 -4.178 1.00 0.00 C ATOM 500 CG1 VAL A 35 3.586 -1.833 -4.801 1.00 0.00 C ATOM 501 CG2 VAL A 35 5.508 -0.634 -3.754 1.00 0.00 C ATOM 0 H VAL A 35 7.003 -2.987 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 35 4.263 -2.514 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 35 5.631 -2.408 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.644 -1.151 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.231 -2.806 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.894 -1.432 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.539 0.033 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.863 -0.206 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.515 -0.757 -3.355 1.00 0.00 H new ATOM 511 N GLU A 36 5.191 -5.162 -3.927 1.00 0.00 N ATOM 512 CA GLU A 36 4.756 -6.479 -4.379 1.00 0.00 C ATOM 513 C GLU A 36 4.058 -7.233 -3.251 1.00 0.00 C ATOM 514 O GLU A 36 2.957 -7.757 -3.430 1.00 0.00 O ATOM 515 CB GLU A 36 5.949 -7.286 -4.896 1.00 0.00 C ATOM 516 CG GLU A 36 7.145 -7.275 -3.958 1.00 0.00 C ATOM 517 CD GLU A 36 8.320 -8.066 -4.499 1.00 0.00 C ATOM 518 OE1 GLU A 36 9.122 -7.489 -5.263 1.00 0.00 O ATOM 519 OE2 GLU A 36 8.437 -9.263 -4.160 1.00 0.00 O ATOM 0 H GLU A 36 6.190 -4.986 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 36 4.045 -6.343 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.636 -8.317 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.254 -6.888 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.455 -6.245 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.849 -7.686 -2.993 1.00 0.00 H new ATOM 526 N VAL A 37 4.703 -7.283 -2.089 1.00 0.00 N ATOM 527 CA VAL A 37 4.134 -7.963 -0.932 1.00 0.00 C ATOM 528 C VAL A 37 2.891 -7.229 -0.447 1.00 0.00 C ATOM 529 O VAL A 37 1.882 -7.847 -0.100 1.00 0.00 O ATOM 530 CB VAL A 37 5.150 -8.058 0.223 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.581 -8.877 1.371 1.00 0.00 C ATOM 532 CG2 VAL A 37 6.461 -8.653 -0.268 1.00 0.00 C ATOM 0 H VAL A 37 5.617 -6.862 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 37 3.868 -8.973 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 37 5.349 -7.051 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.313 -8.932 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.671 -8.404 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.350 -9.883 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.167 -8.713 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.281 -9.652 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.876 -8.021 -1.053 1.00 0.00 H new ATOM 542 N ALA A 38 2.970 -5.903 -0.428 1.00 0.00 N ATOM 543 CA ALA A 38 1.855 -5.081 0.003 1.00 0.00 C ATOM 544 C ALA A 38 0.672 -5.264 -0.937 1.00 0.00 C ATOM 545 O ALA A 38 -0.479 -5.081 -0.545 1.00 0.00 O ATOM 546 CB ALA A 38 2.274 -3.622 0.056 1.00 0.00 C ATOM 0 H ALA A 38 3.798 -5.377 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 38 1.551 -5.392 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.430 -3.013 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.098 -3.505 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.595 -3.299 -0.935 1.00 0.00 H new ATOM 552 N ARG A 39 0.969 -5.636 -2.180 1.00 0.00 N ATOM 553 CA ARG A 39 -0.064 -5.853 -3.186 1.00 0.00 C ATOM 554 C ARG A 39 -0.765 -7.186 -2.959 1.00 0.00 C ATOM 555 O ARG A 39 -1.980 -7.291 -3.119 1.00 0.00 O ATOM 556 CB ARG A 39 0.541 -5.812 -4.591 1.00 0.00 C ATOM 557 CG ARG A 39 0.738 -4.404 -5.126 1.00 0.00 C ATOM 558 CD ARG A 39 1.505 -4.416 -6.434 1.00 0.00 C ATOM 559 NE ARG A 39 0.800 -5.154 -7.479 1.00 0.00 N ATOM 560 CZ ARG A 39 1.411 -5.801 -8.466 1.00 0.00 C ATOM 561 NH1 ARG A 39 2.736 -5.805 -8.542 1.00 0.00 N ATOM 562 NH2 ARG A 39 0.698 -6.447 -9.378 1.00 0.00 N ATOM 0 H ARG A 39 1.920 -5.793 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.799 -5.054 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.503 -6.325 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.106 -6.364 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.232 -3.930 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.276 -3.805 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.672 -3.391 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.486 -4.863 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.219 -5.174 -7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.289 -5.311 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.202 -6.303 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.320 -6.448 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.168 -6.943 -10.135 1.00 0.00 H new ATOM 576 N SER A 40 0.009 -8.204 -2.591 1.00 0.00 N ATOM 577 CA SER A 40 -0.551 -9.526 -2.337 1.00 0.00 C ATOM 578 C SER A 40 -1.524 -9.468 -1.166 1.00 0.00 C ATOM 579 O SER A 40 -2.546 -10.155 -1.158 1.00 0.00 O ATOM 580 CB SER A 40 0.561 -10.537 -2.050 1.00 0.00 C ATOM 581 OG SER A 40 1.236 -10.231 -0.843 1.00 0.00 O ATOM 0 H SER A 40 1.019 -8.139 -2.463 1.00 0.00 H new ATOM 0 HA SER A 40 -1.089 -9.850 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.137 -11.539 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.272 -10.542 -2.876 1.00 0.00 H new ATOM 0 HG SER A 40 1.691 -9.368 -0.932 1.00 0.00 H new ATOM 587 N ILE A 41 -1.196 -8.642 -0.176 1.00 0.00 N ATOM 588 CA ILE A 41 -2.047 -8.480 0.999 1.00 0.00 C ATOM 589 C ILE A 41 -3.213 -7.541 0.699 1.00 0.00 C ATOM 590 O ILE A 41 -4.330 -7.753 1.169 1.00 0.00 O ATOM 591 CB ILE A 41 -1.250 -7.933 2.200 1.00 0.00 C ATOM 592 CG1 ILE A 41 -0.066 -8.851 2.524 1.00 0.00 C ATOM 593 CG2 ILE A 41 -2.155 -7.773 3.415 1.00 0.00 C ATOM 594 CD1 ILE A 41 -0.470 -10.261 2.906 1.00 0.00 C ATOM 0 H ILE A 41 -0.348 -8.075 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.433 -9.467 1.254 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.858 -6.951 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.595 -8.895 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.507 -8.414 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.575 -7.386 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.961 -7.078 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.578 -8.741 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.422 -10.850 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.106 -10.230 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.017 -10.719 2.082 1.00 0.00 H new ATOM 606 N LEU A 42 -2.940 -6.503 -0.087 1.00 0.00 N ATOM 607 CA LEU A 42 -3.959 -5.528 -0.458 1.00 0.00 C ATOM 608 C LEU A 42 -5.078 -6.199 -1.251 1.00 0.00 C ATOM 609 O LEU A 42 -6.254 -5.875 -1.083 1.00 0.00 O ATOM 610 CB LEU A 42 -3.318 -4.404 -1.284 1.00 0.00 C ATOM 611 CG LEU A 42 -4.083 -3.074 -1.340 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.306 -3.187 -2.237 1.00 0.00 C ATOM 613 CD2 LEU A 42 -4.485 -2.618 0.056 1.00 0.00 C ATOM 0 H LEU A 42 -2.018 -6.316 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.392 -5.104 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.324 -4.209 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.184 -4.764 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.416 -2.324 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.830 -2.232 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.993 -3.453 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.972 -3.957 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.025 -1.674 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.126 -3.371 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.592 -2.482 0.666 1.00 0.00 H new