USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=5 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 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= -0.726 X(o=-0.73,f=-0.57) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -150:sc= -0.847 USER MOD Single : A 21 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.000794 X(o=-0.00079,f=-0.0018) 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 6.538 9.985 -1.093 1.00 0.00 N ATOM 2 CA GLU A 1 5.628 9.530 0.002 1.00 0.00 C ATOM 3 C GLU A 1 5.825 8.032 0.266 1.00 0.00 C ATOM 4 O GLU A 1 5.418 7.194 -0.518 1.00 0.00 O ATOM 5 CB GLU A 1 4.208 9.812 -0.508 1.00 0.00 C ATOM 6 CG GLU A 1 3.434 10.616 0.542 1.00 0.00 C ATOM 7 CD GLU A 1 3.771 12.103 0.401 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.750 12.529 0.993 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.044 12.791 -0.298 1.00 0.00 O ATOM 0 H1 GLU A 1 6.396 11.001 -1.263 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.526 9.815 -0.816 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.326 9.456 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 1 5.826 10.045 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.251 10.366 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.692 8.874 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.362 10.462 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.690 10.268 1.543 1.00 0.00 H new ATOM 18 N CYS A 2 6.451 7.694 1.367 1.00 0.00 N ATOM 19 CA CYS A 2 6.682 6.254 1.694 1.00 0.00 C ATOM 20 C CYS A 2 5.831 5.846 2.901 1.00 0.00 C ATOM 21 O CYS A 2 6.018 6.338 3.999 1.00 0.00 O ATOM 22 CB CYS A 2 8.175 6.155 2.026 1.00 0.00 C ATOM 23 SG CYS A 2 8.804 4.535 1.520 1.00 0.00 S ATOM 0 H CYS A 2 6.812 8.356 2.054 1.00 0.00 H new ATOM 0 HA CYS A 2 6.406 5.593 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.725 6.945 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.330 6.299 3.095 1.00 0.00 H new ATOM 28 N LEU A 3 4.896 4.953 2.702 1.00 0.00 N ATOM 29 CA LEU A 3 4.023 4.508 3.831 1.00 0.00 C ATOM 30 C LEU A 3 4.361 3.068 4.233 1.00 0.00 C ATOM 31 O LEU A 3 4.473 2.192 3.395 1.00 0.00 O ATOM 32 CB LEU A 3 2.594 4.592 3.289 1.00 0.00 C ATOM 33 CG LEU A 3 2.217 6.056 3.049 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.885 6.125 2.298 1.00 0.00 C ATOM 35 CD2 LEU A 3 2.085 6.777 4.394 1.00 0.00 C ATOM 0 H LEU A 3 4.699 4.511 1.804 1.00 0.00 H new ATOM 0 HA LEU A 3 4.158 5.124 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.514 4.029 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.899 4.139 3.997 1.00 0.00 H new ATOM 0 HG LEU A 3 2.993 6.538 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.617 7.168 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.980 5.613 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.108 5.643 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.817 7.820 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.310 6.296 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.035 6.730 4.927 1.00 0.00 H new ATOM 47 N GLY A 4 4.518 2.818 5.511 1.00 0.00 N ATOM 48 CA GLY A 4 4.843 1.436 5.979 1.00 0.00 C ATOM 49 C GLY A 4 3.623 0.525 5.792 1.00 0.00 C ATOM 50 O GLY A 4 2.668 0.882 5.130 1.00 0.00 O ATOM 0 H GLY A 4 4.434 3.515 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.692 1.043 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.136 1.457 7.029 1.00 0.00 H new ATOM 54 N PHE A 5 3.650 -0.652 6.367 1.00 0.00 N ATOM 55 CA PHE A 5 2.493 -1.590 6.218 1.00 0.00 C ATOM 56 C PHE A 5 1.328 -1.159 7.120 1.00 0.00 C ATOM 57 O PHE A 5 1.523 -0.731 8.242 1.00 0.00 O ATOM 58 CB PHE A 5 3.028 -2.961 6.647 1.00 0.00 C ATOM 59 CG PHE A 5 1.904 -3.973 6.636 1.00 0.00 C ATOM 60 CD1 PHE A 5 1.543 -4.608 5.441 1.00 0.00 C ATOM 61 CD2 PHE A 5 1.222 -4.274 7.822 1.00 0.00 C ATOM 62 CE1 PHE A 5 0.501 -5.542 5.433 1.00 0.00 C ATOM 63 CE2 PHE A 5 0.180 -5.208 7.812 1.00 0.00 C ATOM 64 CZ PHE A 5 -0.180 -5.842 6.618 1.00 0.00 C ATOM 0 H PHE A 5 4.422 -1.004 6.933 1.00 0.00 H new ATOM 0 HA PHE A 5 2.110 -1.604 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.823 -3.279 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.463 -2.897 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.069 -4.377 4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.500 -3.785 8.744 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.222 -6.032 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.346 -5.439 8.726 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.984 -6.563 6.611 1.00 0.00 H new ATOM 74 N GLY A 6 0.118 -1.278 6.630 1.00 0.00 N ATOM 75 CA GLY A 6 -1.075 -0.890 7.440 1.00 0.00 C ATOM 76 C GLY A 6 -1.198 0.637 7.508 1.00 0.00 C ATOM 77 O GLY A 6 -1.690 1.181 8.478 1.00 0.00 O ATOM 0 H GLY A 6 -0.094 -1.630 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.977 -1.315 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.989 -1.300 8.446 1.00 0.00 H new ATOM 81 N LYS A 7 -0.761 1.331 6.485 1.00 0.00 N ATOM 82 CA LYS A 7 -0.857 2.823 6.485 1.00 0.00 C ATOM 83 C LYS A 7 -1.936 3.274 5.496 1.00 0.00 C ATOM 84 O LYS A 7 -1.987 2.811 4.373 1.00 0.00 O ATOM 85 CB LYS A 7 0.522 3.317 6.037 1.00 0.00 C ATOM 86 CG LYS A 7 1.528 3.155 7.181 1.00 0.00 C ATOM 87 CD LYS A 7 1.230 4.178 8.281 1.00 0.00 C ATOM 88 CE LYS A 7 2.469 4.357 9.165 1.00 0.00 C ATOM 89 NZ LYS A 7 2.219 3.511 10.368 1.00 0.00 N ATOM 0 H LYS A 7 -0.341 0.926 5.648 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.128 3.220 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.855 2.753 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.464 4.363 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.472 2.145 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.543 3.293 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.946 5.132 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.386 3.843 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.373 4.042 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.608 5.402 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.027 3.585 11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.357 3.838 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.098 2.520 10.077 1.00 0.00 H new ATOM 103 N GLY A 8 -2.800 4.171 5.909 1.00 0.00 N ATOM 104 CA GLY A 8 -3.887 4.655 5.003 1.00 0.00 C ATOM 105 C GLY A 8 -3.286 5.235 3.718 1.00 0.00 C ATOM 106 O GLY A 8 -2.517 6.178 3.753 1.00 0.00 O ATOM 0 H GLY A 8 -2.798 4.590 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.560 3.833 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.482 5.415 5.510 1.00 0.00 H new ATOM 110 N CYS A 9 -3.635 4.676 2.584 1.00 0.00 N ATOM 111 CA CYS A 9 -3.093 5.187 1.287 1.00 0.00 C ATOM 112 C CYS A 9 -4.165 5.107 0.190 1.00 0.00 C ATOM 113 O CYS A 9 -5.284 4.692 0.433 1.00 0.00 O ATOM 114 CB CYS A 9 -1.907 4.270 0.960 1.00 0.00 C ATOM 115 SG CYS A 9 -2.504 2.726 0.222 1.00 0.00 S ATOM 0 H CYS A 9 -4.274 3.885 2.502 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.790 6.232 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.227 4.772 0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.342 4.055 1.867 1.00 0.00 H new ATOM 120 N ASN A 10 -3.829 5.500 -1.014 1.00 0.00 N ATOM 121 CA ASN A 10 -4.824 5.449 -2.130 1.00 0.00 C ATOM 122 C ASN A 10 -4.459 4.334 -3.121 1.00 0.00 C ATOM 123 O ASN A 10 -3.298 4.138 -3.428 1.00 0.00 O ATOM 124 CB ASN A 10 -4.733 6.820 -2.807 1.00 0.00 C ATOM 125 CG ASN A 10 -6.113 7.224 -3.334 1.00 0.00 C ATOM 126 OD1 ASN A 10 -6.969 7.634 -2.575 1.00 0.00 O ATOM 127 ND2 ASN A 10 -6.368 7.126 -4.611 1.00 0.00 N ATOM 0 H ASN A 10 -2.908 5.854 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.832 5.236 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.371 7.564 -2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.015 6.785 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.285 7.393 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.651 6.782 -5.249 1.00 0.00 H new ATOM 134 N PRO A 11 -5.469 3.637 -3.594 1.00 0.00 N ATOM 135 CA PRO A 11 -5.247 2.531 -4.563 1.00 0.00 C ATOM 136 C PRO A 11 -4.835 3.084 -5.937 1.00 0.00 C ATOM 137 O PRO A 11 -3.938 2.564 -6.573 1.00 0.00 O ATOM 138 CB PRO A 11 -6.602 1.831 -4.628 1.00 0.00 C ATOM 139 CG PRO A 11 -7.598 2.869 -4.221 1.00 0.00 C ATOM 140 CD PRO A 11 -6.894 3.809 -3.276 1.00 0.00 C ATOM 0 HA PRO A 11 -4.444 1.857 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.807 1.461 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.634 0.971 -3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.972 3.407 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.459 2.408 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.214 4.840 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.103 3.559 -2.236 1.00 0.00 H new ATOM 148 N SER A 12 -5.476 4.137 -6.394 1.00 0.00 N ATOM 149 CA SER A 12 -5.110 4.726 -7.723 1.00 0.00 C ATOM 150 C SER A 12 -3.680 5.282 -7.672 1.00 0.00 C ATOM 151 O SER A 12 -2.911 5.124 -8.602 1.00 0.00 O ATOM 152 CB SER A 12 -6.118 5.852 -7.959 1.00 0.00 C ATOM 153 OG SER A 12 -6.012 6.304 -9.303 1.00 0.00 O ATOM 0 H SER A 12 -6.235 4.612 -5.905 1.00 0.00 H new ATOM 0 HA SER A 12 -5.140 3.988 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.130 5.497 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.929 6.675 -7.270 1.00 0.00 H new ATOM 0 HG SER A 12 -6.658 7.025 -9.458 1.00 0.00 H new ATOM 159 N ASN A 13 -3.321 5.918 -6.583 1.00 0.00 N ATOM 160 CA ASN A 13 -1.942 6.474 -6.445 1.00 0.00 C ATOM 161 C ASN A 13 -1.269 5.846 -5.219 1.00 0.00 C ATOM 162 O ASN A 13 -1.119 6.475 -4.187 1.00 0.00 O ATOM 163 CB ASN A 13 -2.131 7.984 -6.253 1.00 0.00 C ATOM 164 CG ASN A 13 -2.397 8.646 -7.607 1.00 0.00 C ATOM 165 OD1 ASN A 13 -1.478 9.073 -8.278 1.00 0.00 O ATOM 166 ND2 ASN A 13 -3.624 8.751 -8.042 1.00 0.00 N ATOM 0 H ASN A 13 -3.930 6.076 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.311 6.264 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.963 8.173 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.242 8.416 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.810 9.191 -8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.397 8.393 -7.480 1.00 0.00 H new ATOM 173 N ASP A 14 -0.883 4.597 -5.324 1.00 0.00 N ATOM 174 CA ASP A 14 -0.235 3.900 -4.166 1.00 0.00 C ATOM 175 C ASP A 14 0.969 4.696 -3.647 1.00 0.00 C ATOM 176 O ASP A 14 1.814 5.136 -4.406 1.00 0.00 O ATOM 177 CB ASP A 14 0.203 2.527 -4.701 1.00 0.00 C ATOM 178 CG ASP A 14 1.317 2.691 -5.742 1.00 0.00 C ATOM 179 OD1 ASP A 14 1.004 3.033 -6.870 1.00 0.00 O ATOM 180 OD2 ASP A 14 2.465 2.467 -5.391 1.00 0.00 O ATOM 0 H ASP A 14 -0.989 4.028 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.921 3.802 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.554 1.904 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.649 2.015 -5.148 1.00 0.00 H new ATOM 185 N GLN A 15 1.045 4.880 -2.353 1.00 0.00 N ATOM 186 CA GLN A 15 2.184 5.641 -1.758 1.00 0.00 C ATOM 187 C GLN A 15 2.910 4.780 -0.713 1.00 0.00 C ATOM 188 O GLN A 15 3.507 5.292 0.215 1.00 0.00 O ATOM 189 CB GLN A 15 1.538 6.863 -1.096 1.00 0.00 C ATOM 190 CG GLN A 15 1.146 7.884 -2.168 1.00 0.00 C ATOM 191 CD GLN A 15 -0.117 8.631 -1.730 1.00 0.00 C ATOM 192 OE1 GLN A 15 -1.208 8.102 -1.813 1.00 0.00 O ATOM 193 NE2 GLN A 15 -0.016 9.846 -1.262 1.00 0.00 N ATOM 0 H GLN A 15 0.362 4.533 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 15 2.927 5.926 -2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.657 6.559 -0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.232 7.314 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.961 8.590 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.971 7.379 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.899 10.291 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.852 10.350 -0.967 1.00 0.00 H new ATOM 202 N CYS A 16 2.865 3.475 -0.857 1.00 0.00 N ATOM 203 CA CYS A 16 3.553 2.585 0.128 1.00 0.00 C ATOM 204 C CYS A 16 5.064 2.575 -0.132 1.00 0.00 C ATOM 205 O CYS A 16 5.536 3.115 -1.117 1.00 0.00 O ATOM 206 CB CYS A 16 2.958 1.193 -0.100 1.00 0.00 C ATOM 207 SG CYS A 16 1.174 1.234 0.211 1.00 0.00 S ATOM 0 H CYS A 16 2.382 2.991 -1.614 1.00 0.00 H new ATOM 0 HA CYS A 16 3.409 2.922 1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.151 0.867 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.436 0.470 0.561 1.00 0.00 H new ATOM 212 N CYS A 17 5.826 1.965 0.742 1.00 0.00 N ATOM 213 CA CYS A 17 7.307 1.921 0.544 1.00 0.00 C ATOM 214 C CYS A 17 7.680 0.784 -0.413 1.00 0.00 C ATOM 215 O CYS A 17 7.332 -0.363 -0.197 1.00 0.00 O ATOM 216 CB CYS A 17 7.894 1.676 1.937 1.00 0.00 C ATOM 217 SG CYS A 17 7.984 3.244 2.840 1.00 0.00 S ATOM 0 H CYS A 17 5.487 1.497 1.582 1.00 0.00 H new ATOM 0 HA CYS A 17 7.691 2.841 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.275 0.964 2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.887 1.236 1.852 1.00 0.00 H new ATOM 222 N LYS A 18 8.387 1.100 -1.470 1.00 0.00 N ATOM 223 CA LYS A 18 8.792 0.048 -2.456 1.00 0.00 C ATOM 224 C LYS A 18 9.916 -0.828 -1.882 1.00 0.00 C ATOM 225 O LYS A 18 10.058 -1.978 -2.251 1.00 0.00 O ATOM 226 CB LYS A 18 9.286 0.818 -3.686 1.00 0.00 C ATOM 227 CG LYS A 18 8.091 1.222 -4.556 1.00 0.00 C ATOM 228 CD LYS A 18 7.810 0.125 -5.589 1.00 0.00 C ATOM 229 CE LYS A 18 7.990 0.689 -7.003 1.00 0.00 C ATOM 230 NZ LYS A 18 7.742 -0.463 -7.918 1.00 0.00 N ATOM 0 H LYS A 18 8.702 2.044 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 18 7.966 -0.621 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.838 1.705 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.975 0.200 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.212 1.381 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.299 2.166 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.486 -0.716 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.796 -0.254 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.290 1.502 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.993 1.093 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.848 -0.152 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.428 -1.219 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.777 -0.822 -7.770 1.00 0.00 H new ATOM 244 N SER A 19 10.710 -0.294 -0.982 1.00 0.00 N ATOM 245 CA SER A 19 11.822 -1.098 -0.379 1.00 0.00 C ATOM 246 C SER A 19 11.258 -2.309 0.376 1.00 0.00 C ATOM 247 O SER A 19 11.834 -3.381 0.360 1.00 0.00 O ATOM 248 CB SER A 19 12.525 -0.150 0.593 1.00 0.00 C ATOM 249 OG SER A 19 13.319 0.773 -0.141 1.00 0.00 O ATOM 0 H SER A 19 10.636 0.664 -0.639 1.00 0.00 H new ATOM 0 HA SER A 19 12.502 -1.483 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.789 0.384 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.150 -0.717 1.283 1.00 0.00 H new ATOM 0 HG SER A 19 13.769 1.383 0.480 1.00 0.00 H new ATOM 255 N SER A 20 10.135 -2.145 1.033 1.00 0.00 N ATOM 256 CA SER A 20 9.528 -3.285 1.790 1.00 0.00 C ATOM 257 C SER A 20 8.447 -3.989 0.949 1.00 0.00 C ATOM 258 O SER A 20 7.613 -4.698 1.478 1.00 0.00 O ATOM 259 CB SER A 20 8.910 -2.642 3.035 1.00 0.00 C ATOM 260 OG SER A 20 8.004 -1.621 2.639 1.00 0.00 O ATOM 0 H SER A 20 9.612 -1.270 1.078 1.00 0.00 H new ATOM 0 HA SER A 20 10.265 -4.048 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.390 -3.395 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.692 -2.224 3.668 1.00 0.00 H new ATOM 0 HG SER A 20 7.975 -0.924 3.328 1.00 0.00 H new ATOM 266 N ASN A 21 8.462 -3.800 -0.356 1.00 0.00 N ATOM 267 CA ASN A 21 7.446 -4.453 -1.247 1.00 0.00 C ATOM 268 C ASN A 21 6.026 -4.274 -0.685 1.00 0.00 C ATOM 269 O ASN A 21 5.367 -5.230 -0.315 1.00 0.00 O ATOM 270 CB ASN A 21 7.841 -5.938 -1.293 1.00 0.00 C ATOM 271 CG ASN A 21 8.501 -6.262 -2.639 1.00 0.00 C ATOM 272 OD1 ASN A 21 8.248 -5.606 -3.631 1.00 0.00 O ATOM 273 ND2 ASN A 21 9.342 -7.258 -2.717 1.00 0.00 N ATOM 0 H ASN A 21 9.142 -3.216 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 21 7.435 -4.009 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.527 -6.166 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.959 -6.562 -1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.784 -7.483 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.557 -7.810 -1.887 1.00 0.00 H new ATOM 280 N LEU A 22 5.551 -3.055 -0.625 1.00 0.00 N ATOM 281 CA LEU A 22 4.175 -2.808 -0.095 1.00 0.00 C ATOM 282 C LEU A 22 3.249 -2.333 -1.222 1.00 0.00 C ATOM 283 O LEU A 22 3.624 -1.516 -2.043 1.00 0.00 O ATOM 284 CB LEU A 22 4.335 -1.710 0.962 1.00 0.00 C ATOM 285 CG LEU A 22 5.005 -2.278 2.217 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.237 -1.148 3.222 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.102 -3.341 2.851 1.00 0.00 C ATOM 0 H LEU A 22 6.057 -2.220 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 22 3.733 -3.712 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.933 -0.892 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.360 -1.296 1.217 1.00 0.00 H new ATOM 0 HG LEU A 22 5.958 -2.731 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.714 -1.549 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.882 -0.391 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.281 -0.698 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.583 -3.742 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.147 -2.891 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.932 -4.147 2.137 1.00 0.00 H new ATOM 299 N VAL A 23 2.040 -2.835 -1.257 1.00 0.00 N ATOM 300 CA VAL A 23 1.073 -2.416 -2.322 1.00 0.00 C ATOM 301 C VAL A 23 -0.196 -1.841 -1.680 1.00 0.00 C ATOM 302 O VAL A 23 -0.678 -2.343 -0.683 1.00 0.00 O ATOM 303 CB VAL A 23 0.751 -3.689 -3.126 1.00 0.00 C ATOM 304 CG1 VAL A 23 2.041 -4.277 -3.706 1.00 0.00 C ATOM 305 CG2 VAL A 23 0.078 -4.733 -2.225 1.00 0.00 C ATOM 0 H VAL A 23 1.678 -3.519 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 23 1.488 -1.640 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 23 0.071 -3.426 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.807 -5.178 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.511 -3.545 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.724 -4.527 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.144 -5.627 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.747 -4.991 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.848 -4.323 -1.823 1.00 0.00 H new ATOM 315 N CYS A 24 -0.738 -0.788 -2.241 1.00 0.00 N ATOM 316 CA CYS A 24 -1.974 -0.179 -1.656 1.00 0.00 C ATOM 317 C CYS A 24 -3.191 -1.071 -1.926 1.00 0.00 C ATOM 318 O CYS A 24 -3.455 -1.456 -3.050 1.00 0.00 O ATOM 319 CB CYS A 24 -2.130 1.174 -2.352 1.00 0.00 C ATOM 320 SG CYS A 24 -1.299 2.449 -1.374 1.00 0.00 S ATOM 0 H CYS A 24 -0.380 -0.325 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.900 -0.069 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.703 1.132 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.186 1.418 -2.466 1.00 0.00 H new ATOM 325 N SER A 25 -3.932 -1.400 -0.896 1.00 0.00 N ATOM 326 CA SER A 25 -5.135 -2.268 -1.074 1.00 0.00 C ATOM 327 C SER A 25 -6.355 -1.415 -1.438 1.00 0.00 C ATOM 328 O SER A 25 -6.590 -0.372 -0.857 1.00 0.00 O ATOM 329 CB SER A 25 -5.341 -2.950 0.281 1.00 0.00 C ATOM 330 OG SER A 25 -6.303 -3.989 0.146 1.00 0.00 O ATOM 0 H SER A 25 -3.754 -1.103 0.063 1.00 0.00 H new ATOM 0 HA SER A 25 -5.004 -2.993 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.397 -3.358 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.677 -2.222 1.019 1.00 0.00 H new ATOM 0 HG SER A 25 -6.435 -4.428 1.012 1.00 0.00 H new ATOM 336 N ARG A 26 -7.134 -1.856 -2.394 1.00 0.00 N ATOM 337 CA ARG A 26 -8.349 -1.079 -2.799 1.00 0.00 C ATOM 338 C ARG A 26 -9.514 -1.355 -1.834 1.00 0.00 C ATOM 339 O ARG A 26 -10.447 -0.579 -1.744 1.00 0.00 O ATOM 340 CB ARG A 26 -8.687 -1.558 -4.220 1.00 0.00 C ATOM 341 CG ARG A 26 -9.087 -3.040 -4.205 1.00 0.00 C ATOM 342 CD ARG A 26 -8.001 -3.875 -4.892 1.00 0.00 C ATOM 343 NE ARG A 26 -8.494 -4.099 -6.282 1.00 0.00 N ATOM 344 CZ ARG A 26 -7.651 -4.401 -7.233 1.00 0.00 C ATOM 345 NH1 ARG A 26 -7.367 -5.654 -7.481 1.00 0.00 N ATOM 346 NH2 ARG A 26 -7.090 -3.451 -7.936 1.00 0.00 N ATOM 0 H ARG A 26 -6.982 -2.721 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.172 -0.004 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.501 -0.959 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.827 -1.414 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.225 -3.379 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.040 -3.175 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.045 -3.351 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.845 -4.821 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.489 -4.016 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.804 -6.394 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.709 -5.890 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.311 -2.474 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.432 -3.687 -8.679 1.00 0.00 H new ATOM 360 N LYS A 27 -9.464 -2.450 -1.110 1.00 0.00 N ATOM 361 CA LYS A 27 -10.561 -2.775 -0.149 1.00 0.00 C ATOM 362 C LYS A 27 -10.219 -2.226 1.241 1.00 0.00 C ATOM 363 O LYS A 27 -11.059 -1.662 1.917 1.00 0.00 O ATOM 364 CB LYS A 27 -10.626 -4.305 -0.122 1.00 0.00 C ATOM 365 CG LYS A 27 -11.896 -4.752 0.603 1.00 0.00 C ATOM 366 CD LYS A 27 -11.993 -6.279 0.572 1.00 0.00 C ATOM 367 CE LYS A 27 -13.268 -6.726 1.297 1.00 0.00 C ATOM 368 NZ LYS A 27 -12.798 -7.591 2.417 1.00 0.00 N ATOM 0 H LYS A 27 -8.707 -3.133 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.514 -2.334 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.619 -4.697 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.747 -4.708 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.882 -4.399 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.773 -4.312 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.006 -6.632 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.117 -6.719 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.830 -5.870 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.930 -7.274 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.617 -7.934 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.273 -8.402 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.176 -7.041 3.043 1.00 0.00 H new ATOM 382 N HIS A 28 -8.990 -2.386 1.668 1.00 0.00 N ATOM 383 CA HIS A 28 -8.584 -1.874 3.013 1.00 0.00 C ATOM 384 C HIS A 28 -8.075 -0.426 2.916 1.00 0.00 C ATOM 385 O HIS A 28 -7.896 0.235 3.922 1.00 0.00 O ATOM 386 CB HIS A 28 -7.462 -2.809 3.472 1.00 0.00 C ATOM 387 CG HIS A 28 -8.048 -4.132 3.883 1.00 0.00 C ATOM 388 ND1 HIS A 28 -8.294 -4.452 5.209 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.451 -5.223 3.153 1.00 0.00 C ATOM 390 CE1 HIS A 28 -8.824 -5.689 5.236 1.00 0.00 C ATOM 391 NE2 HIS A 28 -8.941 -6.205 4.009 1.00 0.00 N ATOM 0 H HIS A 28 -8.250 -2.850 1.142 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.420 -1.862 3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.742 -2.953 2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.922 -2.363 4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.396 -5.306 2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.119 -6.202 6.139 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.310 -7.121 3.754 1.00 0.00 H new ATOM 399 N ARG A 29 -7.843 0.069 1.716 1.00 0.00 N ATOM 400 CA ARG A 29 -7.347 1.474 1.542 1.00 0.00 C ATOM 401 C ARG A 29 -6.085 1.713 2.384 1.00 0.00 C ATOM 402 O ARG A 29 -5.941 2.735 3.030 1.00 0.00 O ATOM 403 CB ARG A 29 -8.500 2.371 2.012 1.00 0.00 C ATOM 404 CG ARG A 29 -9.555 2.476 0.906 1.00 0.00 C ATOM 405 CD ARG A 29 -10.877 2.965 1.506 1.00 0.00 C ATOM 406 NE ARG A 29 -11.913 2.631 0.488 1.00 0.00 N ATOM 407 CZ ARG A 29 -12.721 1.622 0.681 1.00 0.00 C ATOM 408 NH1 ARG A 29 -13.840 1.797 1.337 1.00 0.00 N ATOM 409 NH2 ARG A 29 -12.411 0.439 0.218 1.00 0.00 N ATOM 0 H ARG A 29 -7.978 -0.446 0.846 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.070 1.683 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.947 1.960 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.123 3.362 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.218 3.165 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.696 1.506 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.085 2.473 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.848 4.037 1.702 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.992 3.191 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.081 2.720 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.471 1.010 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.539 0.304 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.041 -0.349 0.368 1.00 0.00 H new ATOM 423 N TRP A 30 -5.167 0.777 2.376 1.00 0.00 N ATOM 424 CA TRP A 30 -3.911 0.950 3.170 1.00 0.00 C ATOM 425 C TRP A 30 -2.727 0.254 2.481 1.00 0.00 C ATOM 426 O TRP A 30 -2.836 -0.210 1.363 1.00 0.00 O ATOM 427 CB TRP A 30 -4.209 0.335 4.553 1.00 0.00 C ATOM 428 CG TRP A 30 -4.293 -1.169 4.500 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.312 -1.932 3.379 1.00 0.00 C ATOM 430 CD2 TRP A 30 -4.376 -2.099 5.619 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.395 -3.264 3.742 1.00 0.00 N ATOM 432 CE2 TRP A 30 -4.438 -3.418 5.111 1.00 0.00 C ATOM 433 CE3 TRP A 30 -4.401 -1.924 7.013 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -4.523 -4.524 5.957 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -4.486 -3.034 7.868 1.00 0.00 C ATOM 436 CH2 TRP A 30 -4.547 -4.332 7.340 1.00 0.00 C ATOM 0 H TRP A 30 -5.233 -0.097 1.855 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.627 1.998 3.260 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.429 0.629 5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.148 0.737 4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.269 -1.560 2.366 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.421 -4.038 3.078 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.354 -0.929 7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.570 -5.521 5.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.505 -2.888 8.938 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.612 -5.182 8.003 1.00 0.00 H new ATOM 447 N CYS A 31 -1.597 0.187 3.138 1.00 0.00 N ATOM 448 CA CYS A 31 -0.407 -0.470 2.519 1.00 0.00 C ATOM 449 C CYS A 31 -0.338 -1.946 2.923 1.00 0.00 C ATOM 450 O CYS A 31 -0.107 -2.277 4.070 1.00 0.00 O ATOM 451 CB CYS A 31 0.802 0.295 3.062 1.00 0.00 C ATOM 452 SG CYS A 31 1.012 1.833 2.133 1.00 0.00 S ATOM 0 H CYS A 31 -1.447 0.559 4.076 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.447 -0.445 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.662 0.514 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.700 -0.317 2.979 1.00 0.00 H new ATOM 457 N LYS A 32 -0.532 -2.832 1.981 1.00 0.00 N ATOM 458 CA LYS A 32 -0.473 -4.293 2.289 1.00 0.00 C ATOM 459 C LYS A 32 0.890 -4.861 1.867 1.00 0.00 C ATOM 460 O LYS A 32 1.680 -4.186 1.234 1.00 0.00 O ATOM 461 CB LYS A 32 -1.599 -4.917 1.461 1.00 0.00 C ATOM 462 CG LYS A 32 -2.301 -6.001 2.283 1.00 0.00 C ATOM 463 CD LYS A 32 -2.957 -7.013 1.341 1.00 0.00 C ATOM 464 CE LYS A 32 -3.054 -8.375 2.037 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.468 -8.480 2.499 1.00 0.00 N ATOM 0 H LYS A 32 -0.730 -2.606 1.006 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.590 -4.501 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.315 -4.150 1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.195 -5.346 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.582 -6.504 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.053 -5.551 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.951 -6.668 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.374 -7.102 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.802 -9.185 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.360 -8.439 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.608 -9.389 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.678 -7.701 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.106 -8.424 1.680 1.00 0.00 H new ATOM 479 N TYR A 33 1.171 -6.092 2.213 1.00 0.00 N ATOM 480 CA TYR A 33 2.484 -6.700 1.834 1.00 0.00 C ATOM 481 C TYR A 33 2.302 -7.699 0.685 1.00 0.00 C ATOM 482 O TYR A 33 1.255 -8.302 0.534 1.00 0.00 O ATOM 483 CB TYR A 33 2.971 -7.414 3.098 1.00 0.00 C ATOM 484 CG TYR A 33 4.411 -7.837 2.918 1.00 0.00 C ATOM 485 CD1 TYR A 33 5.443 -6.911 3.112 1.00 0.00 C ATOM 486 CD2 TYR A 33 4.713 -9.155 2.555 1.00 0.00 C ATOM 487 CE1 TYR A 33 6.776 -7.303 2.943 1.00 0.00 C ATOM 488 CE2 TYR A 33 6.046 -9.547 2.386 1.00 0.00 C ATOM 489 CZ TYR A 33 7.078 -8.621 2.580 1.00 0.00 C ATOM 490 OH TYR A 33 8.393 -9.008 2.412 1.00 0.00 O ATOM 0 H TYR A 33 0.548 -6.703 2.742 1.00 0.00 H new ATOM 0 HA TYR A 33 3.197 -5.952 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.881 -6.752 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.348 -8.285 3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.211 -5.894 3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.917 -9.870 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.572 -6.588 3.093 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.278 -10.564 2.106 1.00 0.00 H new ATOM 0 HH TYR A 33 8.426 -9.955 2.162 1.00 0.00 H new ATOM 500 N GLU A 34 3.321 -7.881 -0.119 1.00 0.00 N ATOM 501 CA GLU A 34 3.223 -8.843 -1.259 1.00 0.00 C ATOM 502 C GLU A 34 3.375 -10.282 -0.749 1.00 0.00 C ATOM 503 O GLU A 34 4.444 -10.693 -0.337 1.00 0.00 O ATOM 504 CB GLU A 34 4.379 -8.479 -2.197 1.00 0.00 C ATOM 505 CG GLU A 34 3.864 -7.590 -3.332 1.00 0.00 C ATOM 506 CD GLU A 34 4.987 -6.664 -3.807 1.00 0.00 C ATOM 507 OE1 GLU A 34 5.826 -7.122 -4.565 1.00 0.00 O ATOM 508 OE2 GLU A 34 4.988 -5.511 -3.405 1.00 0.00 O ATOM 0 H GLU A 34 4.218 -7.403 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 34 2.260 -8.783 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.160 -7.960 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.827 -9.385 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.512 -8.206 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.013 -7.001 -2.989 1.00 0.00 H new ATOM 515 N ILE A 35 2.313 -11.047 -0.775 1.00 0.00 N ATOM 516 CA ILE A 35 2.391 -12.462 -0.292 1.00 0.00 C ATOM 517 C ILE A 35 2.712 -13.402 -1.463 1.00 0.00 C ATOM 518 O ILE A 35 3.550 -14.237 -1.169 1.00 0.00 O ATOM 519 CB ILE A 35 1.006 -12.772 0.293 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.726 -11.840 1.479 1.00 0.00 C ATOM 521 CG2 ILE A 35 0.963 -14.227 0.773 1.00 0.00 C ATOM 522 CD1 ILE A 35 -0.493 -10.968 1.169 1.00 0.00 C ATOM 0 H ILE A 35 1.395 -10.754 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 35 3.177 -12.600 0.451 1.00 0.00 H new ATOM 0 HB ILE A 35 0.250 -12.619 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.547 -12.426 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.595 -11.212 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.021 -14.444 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.158 -14.893 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.722 -14.380 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.691 -10.306 2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.297 -10.372 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.361 -11.604 0.996 1.00 0.00 H new HETATM 534 N NH2 A 36 2.965 -12.651 -2.512 1.00 0.00 N TER 537 NH2 A 36