USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 13 ASN : amide:sc= -0.65 K(o=-0.65,f=-5.5!) USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=-0.65,f=-0.65) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.79) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -1.3 (180deg=-1.61) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 25 SER OG : rot 133:sc= 0.0725 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 9.639 8.129 -2.960 1.00 0.00 N ATOM 2 CA GLU A 1 8.961 8.150 -1.628 1.00 0.00 C ATOM 3 C GLU A 1 7.745 7.217 -1.636 1.00 0.00 C ATOM 4 O GLU A 1 6.862 7.342 -2.465 1.00 0.00 O ATOM 5 CB GLU A 1 8.521 9.603 -1.419 1.00 0.00 C ATOM 6 CG GLU A 1 9.611 10.371 -0.666 1.00 0.00 C ATOM 7 CD GLU A 1 9.389 10.232 0.842 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.875 9.265 1.408 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.737 11.095 1.407 1.00 0.00 O ATOM 0 H1 GLU A 1 10.461 8.765 -2.941 1.00 0.00 H new ATOM 0 H2 GLU A 1 9.955 7.161 -3.174 1.00 0.00 H new ATOM 0 H3 GLU A 1 8.973 8.446 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 1 9.620 7.808 -0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.329 10.077 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.588 9.633 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.594 9.985 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.592 11.423 -0.951 1.00 0.00 H new ATOM 18 N CYS A 2 7.697 6.284 -0.718 1.00 0.00 N ATOM 19 CA CYS A 2 6.541 5.337 -0.663 1.00 0.00 C ATOM 20 C CYS A 2 5.927 5.313 0.744 1.00 0.00 C ATOM 21 O CYS A 2 6.442 5.914 1.670 1.00 0.00 O ATOM 22 CB CYS A 2 7.121 3.966 -1.031 1.00 0.00 C ATOM 23 SG CYS A 2 8.439 3.512 0.129 1.00 0.00 S ATOM 0 H CYS A 2 8.410 6.137 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 2 5.742 5.631 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.334 3.213 -1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.514 3.990 -2.048 1.00 0.00 H new ATOM 28 N LEU A 3 4.826 4.622 0.903 1.00 0.00 N ATOM 29 CA LEU A 3 4.157 4.547 2.237 1.00 0.00 C ATOM 30 C LEU A 3 4.530 3.239 2.942 1.00 0.00 C ATOM 31 O LEU A 3 4.676 2.206 2.313 1.00 0.00 O ATOM 32 CB LEU A 3 2.655 4.584 1.932 1.00 0.00 C ATOM 33 CG LEU A 3 2.262 5.977 1.425 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.985 5.875 0.587 1.00 0.00 C ATOM 35 CD2 LEU A 3 2.015 6.906 2.619 1.00 0.00 C ATOM 0 H LEU A 3 4.359 4.103 0.160 1.00 0.00 H new ATOM 0 HA LEU A 3 4.458 5.361 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.408 3.831 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.086 4.340 2.829 1.00 0.00 H new ATOM 0 HG LEU A 3 3.068 6.379 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.706 6.865 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.159 5.216 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.179 5.471 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.736 7.896 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.210 6.503 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.924 6.981 3.216 1.00 0.00 H new ATOM 47 N GLY A 4 4.687 3.277 4.243 1.00 0.00 N ATOM 48 CA GLY A 4 5.055 2.041 5.000 1.00 0.00 C ATOM 49 C GLY A 4 3.861 1.081 5.061 1.00 0.00 C ATOM 50 O GLY A 4 3.038 1.040 4.168 1.00 0.00 O ATOM 0 H GLY A 4 4.576 4.114 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.901 1.550 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.371 2.305 6.009 1.00 0.00 H new ATOM 54 N PHE A 5 3.767 0.304 6.111 1.00 0.00 N ATOM 55 CA PHE A 5 2.632 -0.662 6.234 1.00 0.00 C ATOM 56 C PHE A 5 1.431 0.003 6.918 1.00 0.00 C ATOM 57 O PHE A 5 1.577 0.748 7.870 1.00 0.00 O ATOM 58 CB PHE A 5 3.178 -1.814 7.088 1.00 0.00 C ATOM 59 CG PHE A 5 2.040 -2.696 7.554 1.00 0.00 C ATOM 60 CD1 PHE A 5 1.271 -3.405 6.623 1.00 0.00 C ATOM 61 CD2 PHE A 5 1.753 -2.798 8.921 1.00 0.00 C ATOM 62 CE1 PHE A 5 0.217 -4.216 7.059 1.00 0.00 C ATOM 63 CE2 PHE A 5 0.699 -3.609 9.356 1.00 0.00 C ATOM 64 CZ PHE A 5 -0.070 -4.317 8.425 1.00 0.00 C ATOM 0 H PHE A 5 4.427 0.297 6.889 1.00 0.00 H new ATOM 0 HA PHE A 5 2.282 -1.009 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.891 -2.401 6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.717 -1.417 7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.491 -3.326 5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.345 -2.251 9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.375 -4.764 6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.479 -3.689 10.410 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.885 -4.941 8.761 1.00 0.00 H new ATOM 74 N GLY A 6 0.244 -0.273 6.434 1.00 0.00 N ATOM 75 CA GLY A 6 -0.985 0.323 7.037 1.00 0.00 C ATOM 76 C GLY A 6 -0.974 1.842 6.850 1.00 0.00 C ATOM 77 O GLY A 6 -1.228 2.590 7.774 1.00 0.00 O ATOM 0 H GLY A 6 0.075 -0.891 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.873 -0.103 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -1.035 0.079 8.098 1.00 0.00 H new ATOM 81 N LYS A 7 -0.684 2.297 5.658 1.00 0.00 N ATOM 82 CA LYS A 7 -0.656 3.767 5.394 1.00 0.00 C ATOM 83 C LYS A 7 -1.750 4.138 4.387 1.00 0.00 C ATOM 84 O LYS A 7 -2.059 3.376 3.490 1.00 0.00 O ATOM 85 CB LYS A 7 0.730 4.038 4.808 1.00 0.00 C ATOM 86 CG LYS A 7 1.750 4.172 5.942 1.00 0.00 C ATOM 87 CD LYS A 7 2.151 5.641 6.099 1.00 0.00 C ATOM 88 CE LYS A 7 2.422 5.944 7.575 1.00 0.00 C ATOM 89 NZ LYS A 7 2.637 7.418 7.636 1.00 0.00 N ATOM 0 H LYS A 7 -0.464 1.711 4.853 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.837 4.355 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.018 3.226 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.712 4.950 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.325 3.799 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.630 3.565 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.040 5.851 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.357 6.287 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.582 5.642 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.297 5.403 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.829 7.701 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.447 7.676 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.785 7.907 7.295 1.00 0.00 H new ATOM 103 N GLY A 8 -2.336 5.304 4.532 1.00 0.00 N ATOM 104 CA GLY A 8 -3.414 5.735 3.590 1.00 0.00 C ATOM 105 C GLY A 8 -2.887 5.711 2.152 1.00 0.00 C ATOM 106 O GLY A 8 -2.021 6.484 1.787 1.00 0.00 O ATOM 0 H GLY A 8 -2.112 5.976 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.276 5.074 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.753 6.739 3.846 1.00 0.00 H new ATOM 110 N CYS A 9 -3.404 4.823 1.338 1.00 0.00 N ATOM 111 CA CYS A 9 -2.938 4.731 -0.079 1.00 0.00 C ATOM 112 C CYS A 9 -4.123 4.451 -1.011 1.00 0.00 C ATOM 113 O CYS A 9 -5.064 3.774 -0.645 1.00 0.00 O ATOM 114 CB CYS A 9 -1.950 3.558 -0.087 1.00 0.00 C ATOM 115 SG CYS A 9 -1.702 2.970 -1.782 1.00 0.00 S ATOM 0 H CYS A 9 -4.131 4.156 1.596 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.478 5.655 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.998 3.871 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.329 2.748 0.536 1.00 0.00 H new ATOM 120 N ASN A 10 -4.081 4.958 -2.217 1.00 0.00 N ATOM 121 CA ASN A 10 -5.202 4.710 -3.173 1.00 0.00 C ATOM 122 C ASN A 10 -4.857 3.527 -4.090 1.00 0.00 C ATOM 123 O ASN A 10 -3.726 3.387 -4.513 1.00 0.00 O ATOM 124 CB ASN A 10 -5.335 6.001 -3.985 1.00 0.00 C ATOM 125 CG ASN A 10 -6.816 6.350 -4.149 1.00 0.00 C ATOM 126 OD1 ASN A 10 -7.446 6.826 -3.224 1.00 0.00 O ATOM 127 ND2 ASN A 10 -7.404 6.130 -5.293 1.00 0.00 N ATOM 0 H ASN A 10 -3.320 5.532 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.132 4.460 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.812 6.815 -3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.869 5.878 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.391 6.357 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.876 5.731 -6.069 1.00 0.00 H new ATOM 134 N PRO A 11 -5.848 2.711 -4.369 1.00 0.00 N ATOM 135 CA PRO A 11 -5.639 1.526 -5.249 1.00 0.00 C ATOM 136 C PRO A 11 -5.348 1.953 -6.700 1.00 0.00 C ATOM 137 O PRO A 11 -4.888 1.162 -7.501 1.00 0.00 O ATOM 138 CB PRO A 11 -6.965 0.771 -5.148 1.00 0.00 C ATOM 139 CG PRO A 11 -7.968 1.810 -4.765 1.00 0.00 C ATOM 140 CD PRO A 11 -7.240 2.810 -3.908 1.00 0.00 C ATOM 0 HA PRO A 11 -4.783 0.921 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.225 0.300 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.913 -0.022 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.387 2.289 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.800 1.364 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.636 3.817 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.330 2.571 -2.848 1.00 0.00 H new ATOM 148 N SER A 12 -5.605 3.197 -7.041 1.00 0.00 N ATOM 149 CA SER A 12 -5.332 3.671 -8.434 1.00 0.00 C ATOM 150 C SER A 12 -3.889 4.184 -8.546 1.00 0.00 C ATOM 151 O SER A 12 -3.228 3.977 -9.546 1.00 0.00 O ATOM 152 CB SER A 12 -6.328 4.808 -8.674 1.00 0.00 C ATOM 153 OG SER A 12 -7.653 4.296 -8.608 1.00 0.00 O ATOM 0 H SER A 12 -5.992 3.902 -6.413 1.00 0.00 H new ATOM 0 HA SER A 12 -5.444 2.874 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.191 5.590 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.150 5.263 -9.648 1.00 0.00 H new ATOM 0 HG SER A 12 -8.293 5.023 -8.760 1.00 0.00 H new ATOM 159 N ASN A 13 -3.397 4.848 -7.525 1.00 0.00 N ATOM 160 CA ASN A 13 -1.995 5.372 -7.565 1.00 0.00 C ATOM 161 C ASN A 13 -1.018 4.315 -7.036 1.00 0.00 C ATOM 162 O ASN A 13 0.037 4.100 -7.602 1.00 0.00 O ATOM 163 CB ASN A 13 -2.003 6.605 -6.653 1.00 0.00 C ATOM 164 CG ASN A 13 -0.591 7.195 -6.563 1.00 0.00 C ATOM 165 OD1 ASN A 13 0.029 7.155 -5.519 1.00 0.00 O ATOM 166 ND2 ASN A 13 -0.053 7.745 -7.618 1.00 0.00 N ATOM 0 H ASN A 13 -3.908 5.049 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.676 5.619 -8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.695 7.352 -7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.356 6.331 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.886 8.140 -7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.572 7.780 -8.496 1.00 0.00 H new ATOM 173 N ASP A 14 -1.368 3.666 -5.950 1.00 0.00 N ATOM 174 CA ASP A 14 -0.480 2.618 -5.346 1.00 0.00 C ATOM 175 C ASP A 14 0.896 3.213 -5.017 1.00 0.00 C ATOM 176 O ASP A 14 1.833 3.112 -5.789 1.00 0.00 O ATOM 177 CB ASP A 14 -0.370 1.507 -6.400 1.00 0.00 C ATOM 178 CG ASP A 14 -1.215 0.307 -5.964 1.00 0.00 C ATOM 179 OD1 ASP A 14 -2.405 0.313 -6.241 1.00 0.00 O ATOM 180 OD2 ASP A 14 -0.659 -0.597 -5.360 1.00 0.00 O ATOM 0 H ASP A 14 -2.243 3.820 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.883 2.230 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.711 1.874 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.671 1.208 -6.522 1.00 0.00 H new ATOM 185 N GLN A 15 1.016 3.838 -3.873 1.00 0.00 N ATOM 186 CA GLN A 15 2.319 4.452 -3.476 1.00 0.00 C ATOM 187 C GLN A 15 2.920 3.718 -2.267 1.00 0.00 C ATOM 188 O GLN A 15 3.613 4.309 -1.462 1.00 0.00 O ATOM 189 CB GLN A 15 1.970 5.897 -3.109 1.00 0.00 C ATOM 190 CG GLN A 15 3.194 6.792 -3.319 1.00 0.00 C ATOM 191 CD GLN A 15 2.903 7.807 -4.427 1.00 0.00 C ATOM 192 OE1 GLN A 15 2.445 8.900 -4.160 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.149 7.489 -5.670 1.00 0.00 N ATOM 0 H GLN A 15 0.263 3.950 -3.194 1.00 0.00 H new ATOM 0 HA GLN A 15 3.061 4.394 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.141 6.248 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.642 5.950 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.441 7.310 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.059 6.185 -3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.534 6.572 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.957 8.158 -6.415 1.00 0.00 H new ATOM 202 N CYS A 16 2.671 2.436 -2.136 1.00 0.00 N ATOM 203 CA CYS A 16 3.240 1.675 -0.978 1.00 0.00 C ATOM 204 C CYS A 16 4.698 1.291 -1.268 1.00 0.00 C ATOM 205 O CYS A 16 5.119 1.246 -2.410 1.00 0.00 O ATOM 206 CB CYS A 16 2.370 0.422 -0.846 1.00 0.00 C ATOM 207 SG CYS A 16 0.705 0.888 -0.303 1.00 0.00 S ATOM 0 H CYS A 16 2.101 1.886 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 16 3.238 2.263 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.319 -0.099 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.816 -0.268 -0.130 1.00 0.00 H new ATOM 212 N CYS A 17 5.471 1.016 -0.245 1.00 0.00 N ATOM 213 CA CYS A 17 6.904 0.639 -0.464 1.00 0.00 C ATOM 214 C CYS A 17 6.999 -0.783 -1.032 1.00 0.00 C ATOM 215 O CYS A 17 6.804 -1.758 -0.328 1.00 0.00 O ATOM 216 CB CYS A 17 7.565 0.711 0.917 1.00 0.00 C ATOM 217 SG CYS A 17 7.505 2.411 1.542 1.00 0.00 S ATOM 0 H CYS A 17 5.173 1.036 0.730 1.00 0.00 H new ATOM 0 HA CYS A 17 7.393 1.302 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.055 0.042 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.600 0.374 0.853 1.00 0.00 H new ATOM 222 N LYS A 18 7.304 -0.904 -2.301 1.00 0.00 N ATOM 223 CA LYS A 18 7.419 -2.260 -2.925 1.00 0.00 C ATOM 224 C LYS A 18 8.628 -3.014 -2.350 1.00 0.00 C ATOM 225 O LYS A 18 8.611 -4.227 -2.239 1.00 0.00 O ATOM 226 CB LYS A 18 7.604 -1.999 -4.425 1.00 0.00 C ATOM 227 CG LYS A 18 6.660 -2.902 -5.227 1.00 0.00 C ATOM 228 CD LYS A 18 5.251 -2.302 -5.229 1.00 0.00 C ATOM 229 CE LYS A 18 4.281 -3.275 -5.909 1.00 0.00 C ATOM 230 NZ LYS A 18 2.947 -2.981 -5.309 1.00 0.00 N ATOM 0 H LYS A 18 7.478 -0.122 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 18 6.543 -2.877 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.400 -0.952 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.638 -2.191 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.023 -3.007 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.640 -3.901 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.927 -2.104 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.252 -1.347 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.268 -3.128 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.573 -4.310 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.281 -3.741 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.037 -2.921 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.592 -2.076 -5.679 1.00 0.00 H new ATOM 244 N SER A 19 9.671 -2.306 -1.977 1.00 0.00 N ATOM 245 CA SER A 19 10.879 -2.979 -1.399 1.00 0.00 C ATOM 246 C SER A 19 10.535 -3.637 -0.054 1.00 0.00 C ATOM 247 O SER A 19 11.151 -4.610 0.343 1.00 0.00 O ATOM 248 CB SER A 19 11.905 -1.861 -1.197 1.00 0.00 C ATOM 249 OG SER A 19 12.407 -1.449 -2.462 1.00 0.00 O ATOM 0 H SER A 19 9.737 -1.291 -2.048 1.00 0.00 H new ATOM 0 HA SER A 19 11.256 -3.767 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.444 -1.017 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.722 -2.211 -0.565 1.00 0.00 H new ATOM 0 HG SER A 19 13.063 -0.732 -2.336 1.00 0.00 H new ATOM 255 N SER A 20 9.551 -3.118 0.644 1.00 0.00 N ATOM 256 CA SER A 20 9.158 -3.714 1.959 1.00 0.00 C ATOM 257 C SER A 20 7.901 -4.587 1.799 1.00 0.00 C ATOM 258 O SER A 20 7.167 -4.805 2.744 1.00 0.00 O ATOM 259 CB SER A 20 8.874 -2.511 2.863 1.00 0.00 C ATOM 260 OG SER A 20 10.105 -1.897 3.227 1.00 0.00 O ATOM 0 H SER A 20 9.003 -2.306 0.358 1.00 0.00 H new ATOM 0 HA SER A 20 9.933 -4.360 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.236 -1.795 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.336 -2.831 3.755 1.00 0.00 H new ATOM 0 HG SER A 20 9.928 -1.125 3.804 1.00 0.00 H new ATOM 266 N ASN A 21 7.659 -5.094 0.606 1.00 0.00 N ATOM 267 CA ASN A 21 6.462 -5.962 0.357 1.00 0.00 C ATOM 268 C ASN A 21 5.172 -5.263 0.810 1.00 0.00 C ATOM 269 O ASN A 21 4.489 -5.718 1.709 1.00 0.00 O ATOM 270 CB ASN A 21 6.712 -7.241 1.167 1.00 0.00 C ATOM 271 CG ASN A 21 7.446 -8.261 0.294 1.00 0.00 C ATOM 272 OD1 ASN A 21 6.825 -9.055 -0.385 1.00 0.00 O ATOM 273 ND2 ASN A 21 8.752 -8.275 0.282 1.00 0.00 N ATOM 0 H ASN A 21 8.249 -4.939 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 21 6.332 -6.177 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.303 -7.013 2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.765 -7.656 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.249 -8.952 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.274 -7.609 0.851 1.00 0.00 H new ATOM 280 N LEU A 22 4.834 -4.162 0.186 1.00 0.00 N ATOM 281 CA LEU A 22 3.588 -3.432 0.567 1.00 0.00 C ATOM 282 C LEU A 22 2.768 -3.103 -0.685 1.00 0.00 C ATOM 283 O LEU A 22 3.268 -2.518 -1.628 1.00 0.00 O ATOM 284 CB LEU A 22 4.063 -2.149 1.255 1.00 0.00 C ATOM 285 CG LEU A 22 4.588 -2.478 2.655 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.378 -1.285 3.197 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.411 -2.777 3.588 1.00 0.00 C ATOM 0 H LEU A 22 5.369 -3.737 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 22 2.948 -4.024 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.848 -1.677 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.242 -1.436 1.322 1.00 0.00 H new ATOM 0 HG LEU A 22 5.238 -3.351 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.752 -1.519 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.218 -1.073 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.728 -0.412 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.787 -3.011 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.759 -1.905 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.849 -3.628 3.203 1.00 0.00 H new ATOM 299 N VAL A 23 1.513 -3.477 -0.697 1.00 0.00 N ATOM 300 CA VAL A 23 0.647 -3.190 -1.885 1.00 0.00 C ATOM 301 C VAL A 23 -0.626 -2.461 -1.443 1.00 0.00 C ATOM 302 O VAL A 23 -1.126 -2.674 -0.354 1.00 0.00 O ATOM 303 CB VAL A 23 0.304 -4.559 -2.499 1.00 0.00 C ATOM 304 CG1 VAL A 23 1.574 -5.207 -3.061 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.308 -5.483 -1.435 1.00 0.00 C ATOM 0 H VAL A 23 1.049 -3.970 0.066 1.00 0.00 H new ATOM 0 HA VAL A 23 1.151 -2.549 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.419 -4.410 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.327 -6.176 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.001 -4.563 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.299 -5.343 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.546 -6.447 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.406 -5.626 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.219 -5.032 -1.042 1.00 0.00 H new ATOM 315 N CYS A 24 -1.153 -1.599 -2.276 1.00 0.00 N ATOM 316 CA CYS A 24 -2.391 -0.856 -1.896 1.00 0.00 C ATOM 317 C CYS A 24 -3.612 -1.778 -1.975 1.00 0.00 C ATOM 318 O CYS A 24 -3.802 -2.493 -2.941 1.00 0.00 O ATOM 319 CB CYS A 24 -2.508 0.283 -2.909 1.00 0.00 C ATOM 320 SG CYS A 24 -3.254 1.718 -2.103 1.00 0.00 S ATOM 0 H CYS A 24 -0.780 -1.379 -3.200 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.344 -0.482 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.524 0.541 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.116 -0.030 -3.758 1.00 0.00 H new ATOM 325 N SER A 25 -4.437 -1.766 -0.958 1.00 0.00 N ATOM 326 CA SER A 25 -5.651 -2.640 -0.956 1.00 0.00 C ATOM 327 C SER A 25 -6.810 -1.950 -1.684 1.00 0.00 C ATOM 328 O SER A 25 -6.785 -0.756 -1.925 1.00 0.00 O ATOM 329 CB SER A 25 -5.993 -2.842 0.521 1.00 0.00 C ATOM 330 OG SER A 25 -5.000 -3.658 1.129 1.00 0.00 O ATOM 0 H SER A 25 -4.322 -1.187 -0.126 1.00 0.00 H new ATOM 0 HA SER A 25 -5.475 -3.586 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.048 -1.879 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.973 -3.310 0.618 1.00 0.00 H new ATOM 0 HG SER A 25 -4.713 -3.250 1.973 1.00 0.00 H new ATOM 336 N ARG A 26 -7.827 -2.698 -2.034 1.00 0.00 N ATOM 337 CA ARG A 26 -8.998 -2.100 -2.747 1.00 0.00 C ATOM 338 C ARG A 26 -10.070 -1.664 -1.740 1.00 0.00 C ATOM 339 O ARG A 26 -10.510 -0.530 -1.747 1.00 0.00 O ATOM 340 CB ARG A 26 -9.528 -3.220 -3.650 1.00 0.00 C ATOM 341 CG ARG A 26 -9.860 -2.655 -5.034 1.00 0.00 C ATOM 342 CD ARG A 26 -11.380 -2.627 -5.227 1.00 0.00 C ATOM 343 NE ARG A 26 -11.762 -1.190 -5.112 1.00 0.00 N ATOM 344 CZ ARG A 26 -12.952 -0.862 -4.685 1.00 0.00 C ATOM 345 NH1 ARG A 26 -13.950 -0.782 -5.527 1.00 0.00 N ATOM 346 NH2 ARG A 26 -13.146 -0.615 -3.415 1.00 0.00 N ATOM 0 H ARG A 26 -7.897 -3.700 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.724 -1.213 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.784 -4.011 -3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.418 -3.667 -3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.452 -1.649 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.396 -3.266 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.661 -3.033 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.884 -3.230 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.094 -0.463 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.799 -0.976 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.879 -0.526 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.368 -0.679 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.075 -0.359 -3.081 1.00 0.00 H new ATOM 360 N LYS A 27 -10.492 -2.556 -0.876 1.00 0.00 N ATOM 361 CA LYS A 27 -11.538 -2.196 0.134 1.00 0.00 C ATOM 362 C LYS A 27 -10.910 -1.474 1.336 1.00 0.00 C ATOM 363 O LYS A 27 -11.556 -0.682 1.995 1.00 0.00 O ATOM 364 CB LYS A 27 -12.153 -3.530 0.573 1.00 0.00 C ATOM 365 CG LYS A 27 -13.680 -3.407 0.611 1.00 0.00 C ATOM 366 CD LYS A 27 -14.124 -2.885 1.982 1.00 0.00 C ATOM 367 CE LYS A 27 -14.584 -1.428 1.856 1.00 0.00 C ATOM 368 NZ LYS A 27 -16.055 -1.502 1.619 1.00 0.00 N ATOM 0 H LYS A 27 -10.157 -3.518 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.284 -1.519 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.859 -4.321 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.776 -3.809 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.019 -2.730 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.137 -4.377 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.935 -3.500 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.301 -2.956 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.359 -0.864 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.077 -0.925 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.440 -0.541 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.240 -2.038 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.512 -1.979 2.422 1.00 0.00 H new ATOM 382 N HIS A 28 -9.658 -1.741 1.627 1.00 0.00 N ATOM 383 CA HIS A 28 -8.996 -1.067 2.790 1.00 0.00 C ATOM 384 C HIS A 28 -8.341 0.249 2.346 1.00 0.00 C ATOM 385 O HIS A 28 -8.173 1.158 3.138 1.00 0.00 O ATOM 386 CB HIS A 28 -7.934 -2.057 3.287 1.00 0.00 C ATOM 387 CG HIS A 28 -8.575 -3.387 3.590 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.757 -3.494 4.306 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.211 -4.672 3.274 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.060 -4.802 4.395 1.00 0.00 C ATOM 391 NE2 HIS A 28 -9.150 -5.564 3.782 1.00 0.00 N ATOM 0 H HIS A 28 -9.068 -2.394 1.111 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.711 -0.816 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.158 -2.181 2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.449 -1.665 4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.329 -4.949 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.933 -5.189 4.900 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.145 -6.581 3.703 1.00 0.00 H new ATOM 399 N ARG A 29 -7.978 0.358 1.085 1.00 0.00 N ATOM 400 CA ARG A 29 -7.340 1.612 0.570 1.00 0.00 C ATOM 401 C ARG A 29 -6.095 1.976 1.395 1.00 0.00 C ATOM 402 O ARG A 29 -5.904 3.115 1.780 1.00 0.00 O ATOM 403 CB ARG A 29 -8.420 2.694 0.695 1.00 0.00 C ATOM 404 CG ARG A 29 -8.353 3.627 -0.517 1.00 0.00 C ATOM 405 CD ARG A 29 -9.513 4.626 -0.463 1.00 0.00 C ATOM 406 NE ARG A 29 -9.019 5.746 0.388 1.00 0.00 N ATOM 407 CZ ARG A 29 -9.424 6.968 0.165 1.00 0.00 C ATOM 408 NH1 ARG A 29 -10.599 7.356 0.592 1.00 0.00 N ATOM 409 NH2 ARG A 29 -8.653 7.802 -0.485 1.00 0.00 N ATOM 0 H ARG A 29 -8.099 -0.376 0.387 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.998 1.499 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.406 2.233 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.275 3.263 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.402 4.159 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.403 3.047 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.779 4.976 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.407 4.170 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.363 5.558 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.198 6.704 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.915 8.310 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.738 7.498 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.967 8.756 -0.660 1.00 0.00 H new ATOM 423 N TRP A 30 -5.245 1.016 1.660 1.00 0.00 N ATOM 424 CA TRP A 30 -4.004 1.302 2.445 1.00 0.00 C ATOM 425 C TRP A 30 -2.882 0.328 2.049 1.00 0.00 C ATOM 426 O TRP A 30 -3.073 -0.547 1.225 1.00 0.00 O ATOM 427 CB TRP A 30 -4.410 1.154 3.925 1.00 0.00 C ATOM 428 CG TRP A 30 -4.476 -0.288 4.353 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.671 -1.354 3.539 1.00 0.00 C ATOM 430 CD2 TRP A 30 -4.361 -0.825 5.701 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.669 -2.507 4.303 1.00 0.00 N ATOM 432 CE2 TRP A 30 -4.484 -2.232 5.642 1.00 0.00 C ATOM 433 CE3 TRP A 30 -4.160 -0.228 6.958 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -4.408 -3.021 6.791 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -4.084 -1.018 8.116 1.00 0.00 C ATOM 436 CH2 TRP A 30 -4.208 -2.412 8.033 1.00 0.00 C ATOM 0 H TRP A 30 -5.356 0.045 1.367 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.610 2.300 2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.694 1.685 4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.381 1.623 4.083 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.806 -1.310 2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.790 -3.446 3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.063 0.845 7.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.503 -4.095 6.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.929 -0.549 9.076 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.149 -3.014 8.927 1.00 0.00 H new ATOM 447 N CYS A 31 -1.715 0.471 2.626 1.00 0.00 N ATOM 448 CA CYS A 31 -0.592 -0.453 2.274 1.00 0.00 C ATOM 449 C CYS A 31 -0.724 -1.766 3.054 1.00 0.00 C ATOM 450 O CYS A 31 -0.775 -1.775 4.269 1.00 0.00 O ATOM 451 CB CYS A 31 0.690 0.283 2.671 1.00 0.00 C ATOM 452 SG CYS A 31 0.977 1.670 1.541 1.00 0.00 S ATOM 0 H CYS A 31 -1.491 1.183 3.321 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.593 -0.708 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.609 0.647 3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.537 -0.402 2.643 1.00 0.00 H new ATOM 457 N LYS A 32 -0.783 -2.871 2.357 1.00 0.00 N ATOM 458 CA LYS A 32 -0.912 -4.193 3.039 1.00 0.00 C ATOM 459 C LYS A 32 0.398 -4.979 2.912 1.00 0.00 C ATOM 460 O LYS A 32 1.023 -4.992 1.869 1.00 0.00 O ATOM 461 CB LYS A 32 -2.045 -4.907 2.298 1.00 0.00 C ATOM 462 CG LYS A 32 -2.604 -6.033 3.171 1.00 0.00 C ATOM 463 CD LYS A 32 -3.384 -7.018 2.296 1.00 0.00 C ATOM 464 CE LYS A 32 -4.683 -7.418 3.003 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.864 -8.867 2.701 1.00 0.00 N ATOM 0 H LYS A 32 -0.747 -2.914 1.339 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.121 -4.095 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.835 -4.198 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.677 -5.313 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.791 -6.549 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.255 -5.621 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.609 -6.564 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.779 -7.903 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.616 -7.245 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.526 -6.832 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.735 -9.210 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.933 -9.001 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.050 -9.402 3.066 1.00 0.00 H new ATOM 479 N TYR A 33 0.814 -5.634 3.967 1.00 0.00 N ATOM 480 CA TYR A 33 2.084 -6.419 3.911 1.00 0.00 C ATOM 481 C TYR A 33 1.872 -7.710 3.111 1.00 0.00 C ATOM 482 O TYR A 33 1.060 -8.544 3.465 1.00 0.00 O ATOM 483 CB TYR A 33 2.430 -6.735 5.369 1.00 0.00 C ATOM 484 CG TYR A 33 3.850 -7.246 5.452 1.00 0.00 C ATOM 485 CD1 TYR A 33 4.920 -6.398 5.141 1.00 0.00 C ATOM 486 CD2 TYR A 33 4.095 -8.569 5.840 1.00 0.00 C ATOM 487 CE1 TYR A 33 6.234 -6.872 5.217 1.00 0.00 C ATOM 488 CE2 TYR A 33 5.410 -9.043 5.917 1.00 0.00 C ATOM 489 CZ TYR A 33 6.479 -8.195 5.605 1.00 0.00 C ATOM 490 OH TYR A 33 7.775 -8.663 5.680 1.00 0.00 O ATOM 0 H TYR A 33 0.329 -5.659 4.864 1.00 0.00 H new ATOM 0 HA TYR A 33 2.886 -5.869 3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.318 -5.841 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.740 -7.481 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.731 -5.378 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.270 -9.223 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.059 -6.218 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.600 -10.063 6.217 1.00 0.00 H new ATOM 0 HH TYR A 33 7.768 -9.600 5.965 1.00 0.00 H new ATOM 500 N GLU A 34 2.599 -7.875 2.034 1.00 0.00 N ATOM 501 CA GLU A 34 2.448 -9.107 1.204 1.00 0.00 C ATOM 502 C GLU A 34 3.541 -10.120 1.559 1.00 0.00 C ATOM 503 O GLU A 34 4.720 -9.824 1.496 1.00 0.00 O ATOM 504 CB GLU A 34 2.594 -8.634 -0.246 1.00 0.00 C ATOM 505 CG GLU A 34 1.462 -9.224 -1.091 1.00 0.00 C ATOM 506 CD GLU A 34 1.981 -10.434 -1.871 1.00 0.00 C ATOM 507 OE1 GLU A 34 2.095 -11.495 -1.277 1.00 0.00 O ATOM 508 OE2 GLU A 34 2.255 -10.280 -3.050 1.00 0.00 O ATOM 0 H GLU A 34 3.292 -7.208 1.694 1.00 0.00 H new ATOM 0 HA GLU A 34 1.492 -9.603 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.565 -7.545 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.560 -8.944 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.632 -9.521 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.079 -8.471 -1.780 1.00 0.00 H new ATOM 515 N ILE A 35 3.153 -11.311 1.937 1.00 0.00 N ATOM 516 CA ILE A 35 4.160 -12.355 2.306 1.00 0.00 C ATOM 517 C ILE A 35 3.653 -13.759 1.914 1.00 0.00 C ATOM 518 O ILE A 35 2.497 -13.737 1.518 1.00 0.00 O ATOM 519 CB ILE A 35 4.319 -12.213 3.831 1.00 0.00 C ATOM 520 CG1 ILE A 35 5.556 -12.987 4.303 1.00 0.00 C ATOM 521 CG2 ILE A 35 3.075 -12.753 4.545 1.00 0.00 C ATOM 522 CD1 ILE A 35 6.691 -12.006 4.610 1.00 0.00 C ATOM 0 H ILE A 35 2.180 -11.608 2.007 1.00 0.00 H new ATOM 0 HA ILE A 35 5.110 -12.228 1.788 1.00 0.00 H new ATOM 0 HB ILE A 35 4.440 -11.157 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.315 -13.570 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.870 -13.693 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.199 -12.647 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.198 -12.191 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.941 -13.806 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.569 -12.559 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.938 -11.443 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.375 -11.317 5.393 1.00 0.00 H new HETATM 534 N NH2 A 36 4.554 -14.293 1.124 1.00 0.00 N TER 537 NH2 A 36