USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 256 hydrogens (16 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 NoAdj-H: A 3 ASNHD21 : A 3 ASN ND2 : A 300 NAG C1 :(H bumps) USER MOD Set 1.1: A 1 CYS N :NH3+ -128:sc= 0.171 (180deg=0) USER MOD Set 1.2: A 300 NAG O6 : rot 32:sc= 0.173 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.335 K(o=0.72,f=-0.069) USER MOD Set 2.2: A 21 THR OG1 : rot 81:sc= 1.06 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 90:sc= -0.258 USER MOD Single : A 11 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0424) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.043) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc=-0.00609 (180deg=-0.395) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -20:sc= 0.149 USER MOD Single : A 300 NAG O3 : rot 153:sc= 0.00119 USER MOD Single : A 300 NAG O4 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.948 -16.601 7.795 1.00 0.00 N ATOM 2 CA CYS A 1 4.970 -15.540 7.795 1.00 0.00 C ATOM 3 C CYS A 1 5.889 -15.673 9.011 1.00 0.00 C ATOM 4 O CYS A 1 5.952 -14.787 9.862 1.00 0.00 O ATOM 5 CB CYS A 1 4.299 -14.162 7.688 1.00 0.00 C ATOM 6 SG CYS A 1 5.393 -12.724 7.507 1.00 0.00 S ATOM 0 H1 CYS A 1 3.951 -17.086 6.875 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.159 -17.286 8.548 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.011 -16.181 7.962 1.00 0.00 H new ATOM 0 HA CYS A 1 5.610 -15.648 6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.621 -14.181 6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.688 -14.013 8.578 1.00 0.00 H new ATOM 13 N SER A 2 6.597 -16.807 9.081 1.00 0.00 N ATOM 14 CA SER A 2 7.529 -17.135 10.151 1.00 0.00 C ATOM 15 C SER A 2 8.894 -16.506 9.871 1.00 0.00 C ATOM 16 O SER A 2 9.498 -15.918 10.766 1.00 0.00 O ATOM 17 CB SER A 2 7.637 -18.659 10.274 1.00 0.00 C ATOM 18 OG SER A 2 8.514 -19.003 11.325 1.00 0.00 O ATOM 0 H SER A 2 6.531 -17.538 8.372 1.00 0.00 H new ATOM 0 HA SER A 2 7.164 -16.732 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.652 -19.087 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.998 -19.082 9.336 1.00 0.00 H new ATOM 0 HG SER A 2 8.574 -19.979 11.395 1.00 0.00 H new ATOM 24 N ASN A 3 9.371 -16.637 8.626 1.00 0.00 N ATOM 25 CA ASN A 3 10.649 -16.101 8.177 1.00 0.00 C ATOM 26 C ASN A 3 10.721 -14.578 8.301 1.00 0.00 C ATOM 27 O ASN A 3 11.796 -14.048 8.576 1.00 0.00 O ATOM 28 CB ASN A 3 10.938 -16.554 6.741 1.00 0.00 C ATOM 29 CG ASN A 3 9.918 -16.051 5.721 1.00 0.00 C ATOM 30 OD1 ASN A 3 10.121 -15.005 5.106 1.00 0.00 O ATOM 31 ND2 ASN A 3 8.854 -16.833 5.505 1.00 0.00 N ATOM 0 H ASN A 3 8.863 -17.130 7.892 1.00 0.00 H new ATOM 0 HA ASN A 3 11.421 -16.500 8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.930 -16.205 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.962 -17.643 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.734 -17.691 6.044 1.00 0.00 H new ATOM 37 N LEU A 4 9.588 -13.886 8.103 1.00 0.00 N ATOM 38 CA LEU A 4 9.469 -12.438 8.215 1.00 0.00 C ATOM 39 C LEU A 4 10.439 -11.747 7.251 1.00 0.00 C ATOM 40 O LEU A 4 11.336 -11.025 7.685 1.00 0.00 O ATOM 41 CB LEU A 4 9.666 -11.982 9.675 1.00 0.00 C ATOM 42 CG LEU A 4 8.567 -12.497 10.620 1.00 0.00 C ATOM 43 CD1 LEU A 4 9.092 -12.543 12.059 1.00 0.00 C ATOM 44 CD2 LEU A 4 7.332 -11.590 10.568 1.00 0.00 C ATOM 0 H LEU A 4 8.709 -14.339 7.854 1.00 0.00 H new ATOM 0 HA LEU A 4 8.460 -12.142 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.636 -12.330 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.686 -10.893 9.710 1.00 0.00 H new ATOM 0 HG LEU A 4 8.286 -13.499 10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.307 -12.909 12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.952 -13.211 12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.391 -11.542 12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.569 -11.975 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.609 -10.580 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.938 -11.569 9.552 1.00 0.00 H new ATOM 56 N SER A 5 10.265 -11.983 5.944 1.00 0.00 N ATOM 57 CA SER A 5 11.130 -11.431 4.911 1.00 0.00 C ATOM 58 C SER A 5 10.347 -11.246 3.613 1.00 0.00 C ATOM 59 O SER A 5 10.063 -10.113 3.231 1.00 0.00 O ATOM 60 CB SER A 5 12.366 -12.322 4.726 1.00 0.00 C ATOM 61 OG SER A 5 13.208 -11.782 3.730 1.00 0.00 O ATOM 0 H SER A 5 9.513 -12.567 5.579 1.00 0.00 H new ATOM 0 HA SER A 5 11.484 -10.447 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.909 -12.404 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.059 -13.330 4.447 1.00 0.00 H new ATOM 0 HG SER A 5 13.995 -12.356 3.620 1.00 0.00 H new ATOM 67 N THR A 6 10.000 -12.345 2.931 1.00 0.00 N ATOM 68 CA THR A 6 9.260 -12.301 1.675 1.00 0.00 C ATOM 69 C THR A 6 7.870 -11.707 1.915 1.00 0.00 C ATOM 70 O THR A 6 7.460 -10.780 1.219 1.00 0.00 O ATOM 71 CB THR A 6 9.159 -13.703 1.056 1.00 0.00 C ATOM 72 OG1 THR A 6 8.470 -14.569 1.924 1.00 0.00 O ATOM 73 CG2 THR A 6 10.528 -14.320 0.767 1.00 0.00 C ATOM 0 H THR A 6 10.228 -13.290 3.240 1.00 0.00 H new ATOM 0 HA THR A 6 9.795 -11.665 0.970 1.00 0.00 H new ATOM 0 HB THR A 6 8.625 -13.582 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.511 -14.535 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.396 -15.310 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.073 -13.685 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.092 -14.405 1.696 1.00 0.00 H new ATOM 81 N CYS A 7 7.170 -12.240 2.922 1.00 0.00 N ATOM 82 CA CYS A 7 5.862 -11.786 3.370 1.00 0.00 C ATOM 83 C CYS A 7 5.884 -10.327 3.837 1.00 0.00 C ATOM 84 O CYS A 7 4.938 -9.592 3.559 1.00 0.00 O ATOM 85 CB CYS A 7 5.339 -12.722 4.467 1.00 0.00 C ATOM 86 SG CYS A 7 6.484 -13.097 5.827 1.00 0.00 S ATOM 0 H CYS A 7 7.518 -13.030 3.465 1.00 0.00 H new ATOM 0 HA CYS A 7 5.180 -11.822 2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.438 -12.280 4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.043 -13.662 4.001 1.00 0.00 H new ATOM 91 N VAL A 8 6.949 -9.903 4.530 1.00 0.00 N ATOM 92 CA VAL A 8 7.098 -8.535 5.014 1.00 0.00 C ATOM 93 C VAL A 8 7.227 -7.569 3.835 1.00 0.00 C ATOM 94 O VAL A 8 6.468 -6.608 3.748 1.00 0.00 O ATOM 95 CB VAL A 8 8.292 -8.443 5.981 1.00 0.00 C ATOM 96 CG1 VAL A 8 8.607 -6.991 6.365 1.00 0.00 C ATOM 97 CG2 VAL A 8 7.982 -9.228 7.261 1.00 0.00 C ATOM 0 H VAL A 8 7.734 -10.508 4.769 1.00 0.00 H new ATOM 0 HA VAL A 8 6.207 -8.245 5.571 1.00 0.00 H new ATOM 0 HB VAL A 8 9.158 -8.863 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.456 -6.971 7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.850 -6.422 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.739 -6.547 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.829 -9.161 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.097 -8.809 7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.799 -10.273 7.012 1.00 0.00 H new ATOM 107 N LEU A 9 8.174 -7.831 2.925 1.00 0.00 N ATOM 108 CA LEU A 9 8.386 -7.028 1.727 1.00 0.00 C ATOM 109 C LEU A 9 7.116 -6.972 0.872 1.00 0.00 C ATOM 110 O LEU A 9 6.772 -5.908 0.363 1.00 0.00 O ATOM 111 CB LEU A 9 9.561 -7.596 0.919 1.00 0.00 C ATOM 112 CG LEU A 9 10.922 -7.420 1.618 1.00 0.00 C ATOM 113 CD1 LEU A 9 11.962 -8.315 0.933 1.00 0.00 C ATOM 114 CD2 LEU A 9 11.404 -5.965 1.571 1.00 0.00 C ATOM 0 H LEU A 9 8.819 -8.617 3.006 1.00 0.00 H new ATOM 0 HA LEU A 9 8.627 -6.009 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.388 -8.657 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.594 -7.106 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 9 10.800 -7.702 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.927 -8.193 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.648 -9.356 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.051 -8.032 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.367 -5.884 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.510 -5.650 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.678 -5.325 2.072 1.00 0.00 H new ATOM 126 N GLY A 10 6.415 -8.105 0.735 1.00 0.00 N ATOM 127 CA GLY A 10 5.161 -8.207 0.006 1.00 0.00 C ATOM 128 C GLY A 10 4.080 -7.309 0.608 1.00 0.00 C ATOM 129 O GLY A 10 3.406 -6.585 -0.123 1.00 0.00 O ATOM 0 H GLY A 10 6.717 -8.991 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.323 -7.932 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.819 -9.242 0.013 1.00 0.00 H new ATOM 133 N LYS A 11 3.923 -7.354 1.938 1.00 0.00 N ATOM 134 CA LYS A 11 2.944 -6.562 2.669 1.00 0.00 C ATOM 135 C LYS A 11 3.207 -5.066 2.482 1.00 0.00 C ATOM 136 O LYS A 11 2.285 -4.327 2.149 1.00 0.00 O ATOM 137 CB LYS A 11 2.959 -6.963 4.152 1.00 0.00 C ATOM 138 CG LYS A 11 2.046 -6.104 5.040 1.00 0.00 C ATOM 139 CD LYS A 11 0.571 -6.184 4.625 1.00 0.00 C ATOM 140 CE LYS A 11 -0.328 -5.408 5.593 1.00 0.00 C ATOM 141 NZ LYS A 11 -0.063 -3.960 5.551 1.00 0.00 N ATOM 0 H LYS A 11 4.486 -7.955 2.540 1.00 0.00 H new ATOM 0 HA LYS A 11 1.949 -6.763 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.656 -8.006 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.981 -6.895 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.146 -6.427 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.376 -5.066 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.453 -5.784 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.257 -7.227 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.373 -5.593 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.172 -5.776 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.268 -3.641 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.667 -3.761 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.937 -3.454 5.302 1.00 0.00 H new ATOM 155 N LEU A 12 4.455 -4.628 2.691 1.00 0.00 N ATOM 156 CA LEU A 12 4.861 -3.234 2.553 1.00 0.00 C ATOM 157 C LEU A 12 4.636 -2.737 1.124 1.00 0.00 C ATOM 158 O LEU A 12 4.093 -1.651 0.932 1.00 0.00 O ATOM 159 CB LEU A 12 6.335 -3.077 2.949 1.00 0.00 C ATOM 160 CG LEU A 12 6.597 -3.350 4.440 1.00 0.00 C ATOM 161 CD1 LEU A 12 8.105 -3.490 4.671 1.00 0.00 C ATOM 162 CD2 LEU A 12 6.051 -2.228 5.334 1.00 0.00 C ATOM 0 H LEU A 12 5.219 -5.246 2.965 1.00 0.00 H new ATOM 0 HA LEU A 12 4.247 -2.628 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.939 -3.758 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.663 -2.066 2.709 1.00 0.00 H new ATOM 0 HG LEU A 12 6.080 -4.272 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.295 -3.684 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.489 -4.318 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.606 -2.568 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.258 -2.462 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.532 -1.286 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.974 -2.138 5.189 1.00 0.00 H new ATOM 174 N SER A 13 5.046 -3.535 0.130 1.00 0.00 N ATOM 175 CA SER A 13 4.882 -3.223 -1.283 1.00 0.00 C ATOM 176 C SER A 13 3.406 -3.025 -1.636 1.00 0.00 C ATOM 177 O SER A 13 3.061 -2.053 -2.304 1.00 0.00 O ATOM 178 CB SER A 13 5.514 -4.329 -2.135 1.00 0.00 C ATOM 179 OG SER A 13 5.402 -4.017 -3.507 1.00 0.00 O ATOM 0 H SER A 13 5.508 -4.429 0.295 1.00 0.00 H new ATOM 0 HA SER A 13 5.393 -2.284 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.564 -4.448 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.023 -5.280 -1.930 1.00 0.00 H new ATOM 0 HG SER A 13 5.811 -4.731 -4.039 1.00 0.00 H new ATOM 185 N GLN A 14 2.537 -3.937 -1.180 1.00 0.00 N ATOM 186 CA GLN A 14 1.104 -3.860 -1.423 1.00 0.00 C ATOM 187 C GLN A 14 0.478 -2.672 -0.684 1.00 0.00 C ATOM 188 O GLN A 14 -0.437 -2.044 -1.210 1.00 0.00 O ATOM 189 CB GLN A 14 0.442 -5.188 -1.028 1.00 0.00 C ATOM 190 CG GLN A 14 -1.062 -5.219 -1.341 1.00 0.00 C ATOM 191 CD GLN A 14 -1.350 -4.977 -2.823 1.00 0.00 C ATOM 192 OE1 GLN A 14 -1.661 -3.858 -3.223 1.00 0.00 O ATOM 193 NE2 GLN A 14 -1.247 -6.028 -3.641 1.00 0.00 N ATOM 0 H GLN A 14 2.817 -4.750 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 14 0.934 -3.693 -2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.935 -6.005 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.590 -5.360 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.473 -6.185 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.571 -4.461 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.986 -6.941 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.429 -5.918 -4.638 1.00 0.00 H new ATOM 202 N GLU A 15 0.963 -2.366 0.526 1.00 0.00 N ATOM 203 CA GLU A 15 0.457 -1.284 1.357 1.00 0.00 C ATOM 204 C GLU A 15 0.678 0.068 0.677 1.00 0.00 C ATOM 205 O GLU A 15 -0.284 0.797 0.442 1.00 0.00 O ATOM 206 CB GLU A 15 1.114 -1.350 2.741 1.00 0.00 C ATOM 207 CG GLU A 15 0.639 -0.223 3.662 1.00 0.00 C ATOM 208 CD GLU A 15 1.179 -0.415 5.077 1.00 0.00 C ATOM 209 OE1 GLU A 15 2.401 -0.215 5.251 1.00 0.00 O ATOM 210 OE2 GLU A 15 0.364 -0.766 5.958 1.00 0.00 O ATOM 0 H GLU A 15 1.733 -2.878 0.956 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.619 -1.398 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.890 -2.312 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.197 -1.294 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.970 0.738 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.451 -0.200 3.684 1.00 0.00 H new ATOM 217 N LEU A 16 1.935 0.402 0.356 1.00 0.00 N ATOM 218 CA LEU A 16 2.269 1.666 -0.290 1.00 0.00 C ATOM 219 C LEU A 16 1.617 1.788 -1.671 1.00 0.00 C ATOM 220 O LEU A 16 1.262 2.892 -2.078 1.00 0.00 O ATOM 221 CB LEU A 16 3.790 1.898 -0.298 1.00 0.00 C ATOM 222 CG LEU A 16 4.609 0.924 -1.165 1.00 0.00 C ATOM 223 CD1 LEU A 16 4.792 1.433 -2.602 1.00 0.00 C ATOM 224 CD2 LEU A 16 6.001 0.732 -0.548 1.00 0.00 C ATOM 0 H LEU A 16 2.741 -0.197 0.538 1.00 0.00 H new ATOM 0 HA LEU A 16 1.843 2.477 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.982 2.913 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.154 1.837 0.728 1.00 0.00 H new ATOM 0 HG LEU A 16 4.056 -0.015 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.376 0.711 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.816 1.561 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.314 2.390 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.579 0.042 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.513 1.693 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.900 0.324 0.458 1.00 0.00 H new ATOM 236 N HIS A 17 1.428 0.661 -2.373 1.00 0.00 N ATOM 237 CA HIS A 17 0.753 0.615 -3.661 1.00 0.00 C ATOM 238 C HIS A 17 -0.717 1.013 -3.508 1.00 0.00 C ATOM 239 O HIS A 17 -1.158 1.956 -4.163 1.00 0.00 O ATOM 240 CB HIS A 17 0.915 -0.787 -4.265 1.00 0.00 C ATOM 241 CG HIS A 17 0.225 -1.034 -5.585 1.00 0.00 C ATOM 242 ND1 HIS A 17 -0.381 -0.040 -6.340 1.00 0.00 N ATOM 243 CD2 HIS A 17 0.052 -2.189 -6.309 1.00 0.00 C ATOM 244 CE1 HIS A 17 -0.880 -0.624 -7.443 1.00 0.00 C ATOM 245 NE2 HIS A 17 -0.643 -1.935 -7.488 1.00 0.00 N ATOM 0 H HIS A 17 1.747 -0.252 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 17 1.205 1.333 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.980 -0.982 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.543 -1.515 -3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.407 -3.162 -6.004 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.416 -0.088 -8.212 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.909 -2.598 -8.217 1.00 0.00 H new ATOM 253 N LYS A 18 -1.474 0.292 -2.669 1.00 0.00 N ATOM 254 CA LYS A 18 -2.917 0.461 -2.577 1.00 0.00 C ATOM 255 C LYS A 18 -3.307 1.857 -2.096 1.00 0.00 C ATOM 256 O LYS A 18 -4.202 2.455 -2.683 1.00 0.00 O ATOM 257 CB LYS A 18 -3.578 -0.661 -1.761 1.00 0.00 C ATOM 258 CG LYS A 18 -3.337 -0.592 -0.249 1.00 0.00 C ATOM 259 CD LYS A 18 -3.938 -1.798 0.488 1.00 0.00 C ATOM 260 CE LYS A 18 -5.467 -1.890 0.392 1.00 0.00 C ATOM 261 NZ LYS A 18 -6.127 -0.671 0.892 1.00 0.00 N ATOM 0 H LYS A 18 -1.099 -0.419 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.312 0.373 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.652 -0.638 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.213 -1.620 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.265 -0.546 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.772 0.327 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.503 -2.712 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.653 -1.748 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.755 -2.059 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.815 -2.751 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.130 -0.872 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.664 -0.361 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.053 0.082 0.178 1.00 0.00 H new ATOM 275 N LEU A 19 -2.640 2.391 -1.062 1.00 0.00 N ATOM 276 CA LEU A 19 -2.967 3.710 -0.526 1.00 0.00 C ATOM 277 C LEU A 19 -2.654 4.826 -1.528 1.00 0.00 C ATOM 278 O LEU A 19 -3.359 5.833 -1.555 1.00 0.00 O ATOM 279 CB LEU A 19 -2.327 3.925 0.856 1.00 0.00 C ATOM 280 CG LEU A 19 -0.792 4.038 0.883 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.301 5.482 0.702 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.277 3.544 2.242 1.00 0.00 C ATOM 0 H LEU A 19 -1.870 1.924 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.045 3.754 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.745 4.833 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.621 3.098 1.502 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.415 3.437 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.788 5.502 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.647 5.866 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.696 6.104 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.810 3.621 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.704 4.155 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.571 2.504 2.386 1.00 0.00 H new ATOM 294 N GLN A 20 -1.617 4.646 -2.358 1.00 0.00 N ATOM 295 CA GLN A 20 -1.220 5.618 -3.365 1.00 0.00 C ATOM 296 C GLN A 20 -2.254 5.663 -4.491 1.00 0.00 C ATOM 297 O GLN A 20 -2.850 6.710 -4.739 1.00 0.00 O ATOM 298 CB GLN A 20 0.181 5.266 -3.884 1.00 0.00 C ATOM 299 CG GLN A 20 0.667 6.238 -4.965 1.00 0.00 C ATOM 300 CD GLN A 20 2.080 5.886 -5.422 1.00 0.00 C ATOM 301 OE1 GLN A 20 3.027 6.617 -5.140 1.00 0.00 O ATOM 302 NE2 GLN A 20 2.224 4.762 -6.131 1.00 0.00 N ATOM 0 H GLN A 20 -1.030 3.812 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.178 6.615 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.885 5.271 -3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.172 4.254 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.012 6.209 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.649 7.257 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.410 4.185 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.148 4.482 -6.461 1.00 0.00 H new ATOM 311 N THR A 21 -2.452 4.530 -5.176 1.00 0.00 N ATOM 312 CA THR A 21 -3.318 4.431 -6.345 1.00 0.00 C ATOM 313 C THR A 21 -4.803 4.559 -5.984 1.00 0.00 C ATOM 314 O THR A 21 -5.590 5.000 -6.820 1.00 0.00 O ATOM 315 CB THR A 21 -3.023 3.131 -7.106 1.00 0.00 C ATOM 316 OG1 THR A 21 -3.184 2.011 -6.262 1.00 0.00 O ATOM 317 CG2 THR A 21 -1.597 3.145 -7.670 1.00 0.00 C ATOM 0 H THR A 21 -2.007 3.647 -4.926 1.00 0.00 H new ATOM 0 HA THR A 21 -3.097 5.273 -7.001 1.00 0.00 H new ATOM 0 HB THR A 21 -3.732 3.060 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.136 1.787 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.408 2.215 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.484 3.986 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.883 3.244 -6.852 1.00 0.00 H new ATOM 325 N TYR A 22 -5.179 4.197 -4.750 1.00 0.00 N ATOM 326 CA TYR A 22 -6.526 4.341 -4.216 1.00 0.00 C ATOM 327 C TYR A 22 -6.428 5.035 -2.854 1.00 0.00 C ATOM 328 O TYR A 22 -6.112 4.366 -1.872 1.00 0.00 O ATOM 329 CB TYR A 22 -7.193 2.965 -4.083 1.00 0.00 C ATOM 330 CG TYR A 22 -7.273 2.186 -5.380 1.00 0.00 C ATOM 331 CD1 TYR A 22 -8.361 2.372 -6.252 1.00 0.00 C ATOM 332 CD2 TYR A 22 -6.242 1.295 -5.728 1.00 0.00 C ATOM 333 CE1 TYR A 22 -8.428 1.649 -7.456 1.00 0.00 C ATOM 334 CE2 TYR A 22 -6.302 0.583 -6.937 1.00 0.00 C ATOM 335 CZ TYR A 22 -7.399 0.753 -7.798 1.00 0.00 C ATOM 336 OH TYR A 22 -7.468 0.052 -8.967 1.00 0.00 O ATOM 0 H TYR A 22 -4.529 3.784 -4.081 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.139 4.940 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.641 2.375 -3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.201 3.099 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.145 3.070 -5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.402 1.158 -5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.270 1.782 -8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.505 -0.095 -7.205 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.678 -0.521 -9.052 1.00 0.00 H new ATOM 346 N PRO A 23 -6.682 6.354 -2.761 1.00 0.00 N ATOM 347 CA PRO A 23 -6.628 7.095 -1.508 1.00 0.00 C ATOM 348 C PRO A 23 -7.862 6.754 -0.666 1.00 0.00 C ATOM 349 O PRO A 23 -8.829 7.511 -0.611 1.00 0.00 O ATOM 350 CB PRO A 23 -6.552 8.568 -1.917 1.00 0.00 C ATOM 351 CG PRO A 23 -7.321 8.603 -3.236 1.00 0.00 C ATOM 352 CD PRO A 23 -7.002 7.246 -3.866 1.00 0.00 C ATOM 0 HA PRO A 23 -5.771 6.845 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.006 9.218 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.521 8.898 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.391 8.730 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.995 9.427 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.852 6.871 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.164 7.325 -4.559 1.00 0.00 H new ATOM 360 N ARG A 24 -7.815 5.573 -0.038 1.00 0.00 N ATOM 361 CA ARG A 24 -8.930 4.928 0.630 1.00 0.00 C ATOM 362 C ARG A 24 -8.370 3.764 1.450 1.00 0.00 C ATOM 363 O ARG A 24 -7.657 2.917 0.912 1.00 0.00 O ATOM 364 CB ARG A 24 -9.924 4.425 -0.426 1.00 0.00 C ATOM 365 CG ARG A 24 -11.144 3.747 0.211 1.00 0.00 C ATOM 366 CD ARG A 24 -12.151 3.289 -0.849 1.00 0.00 C ATOM 367 NE ARG A 24 -11.592 2.241 -1.717 1.00 0.00 N ATOM 368 CZ ARG A 24 -11.073 2.406 -2.946 1.00 0.00 C ATOM 369 NH1 ARG A 24 -11.006 3.614 -3.527 1.00 0.00 N ATOM 370 NH2 ARG A 24 -10.606 1.337 -3.604 1.00 0.00 N ATOM 0 H ARG A 24 -6.957 5.024 0.015 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.454 5.621 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.254 5.262 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.423 3.720 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.819 2.889 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.628 4.440 0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.049 2.914 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.452 4.142 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.599 1.290 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.354 4.437 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.607 3.709 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.647 0.414 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.209 1.446 -4.537 1.00 0.00 H new ATOM 384 N THR A 25 -8.700 3.726 2.746 1.00 0.00 N ATOM 385 CA THR A 25 -8.268 2.679 3.662 1.00 0.00 C ATOM 386 C THR A 25 -8.880 1.336 3.257 1.00 0.00 C ATOM 387 O THR A 25 -8.164 0.343 3.133 1.00 0.00 O ATOM 388 CB THR A 25 -8.655 3.067 5.098 1.00 0.00 C ATOM 389 OG1 THR A 25 -8.086 4.320 5.416 1.00 0.00 O ATOM 390 CG2 THR A 25 -8.168 2.030 6.116 1.00 0.00 C ATOM 0 H THR A 25 -9.284 4.435 3.189 1.00 0.00 H new ATOM 0 HA THR A 25 -7.184 2.572 3.615 1.00 0.00 H new ATOM 0 HB THR A 25 -9.743 3.114 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.334 4.569 6.331 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.461 2.340 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.614 1.061 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.082 1.950 6.063 1.00 0.00 H new ATOM 398 N ASP A 26 -10.204 1.318 3.057 1.00 0.00 N ATOM 399 CA ASP A 26 -10.969 0.130 2.712 1.00 0.00 C ATOM 400 C ASP A 26 -10.667 -0.294 1.273 1.00 0.00 C ATOM 401 O ASP A 26 -11.261 0.235 0.337 1.00 0.00 O ATOM 402 CB ASP A 26 -12.464 0.413 2.910 1.00 0.00 C ATOM 403 CG ASP A 26 -12.780 0.762 4.362 1.00 0.00 C ATOM 404 OD1 ASP A 26 -13.009 -0.189 5.141 1.00 0.00 O ATOM 405 OD2 ASP A 26 -12.780 1.974 4.670 1.00 0.00 O ATOM 0 H ASP A 26 -10.781 2.156 3.135 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.683 -0.694 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.769 1.235 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.043 -0.460 2.610 1.00 0.00 H new ATOM 410 N VAL A 27 -9.745 -1.255 1.124 1.00 0.00 N ATOM 411 CA VAL A 27 -9.320 -1.896 -0.118 1.00 0.00 C ATOM 412 C VAL A 27 -8.760 -0.924 -1.169 1.00 0.00 C ATOM 413 O VAL A 27 -8.775 0.294 -0.994 1.00 0.00 O ATOM 414 CB VAL A 27 -10.382 -2.875 -0.672 1.00 0.00 C ATOM 415 CG1 VAL A 27 -10.904 -3.806 0.431 1.00 0.00 C ATOM 416 CG2 VAL A 27 -11.573 -2.221 -1.385 1.00 0.00 C ATOM 0 H VAL A 27 -9.243 -1.628 1.930 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.461 -2.510 0.151 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.846 -3.439 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.649 -4.483 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.076 -4.385 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.358 -3.212 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.257 -2.994 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.095 -1.561 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.214 -1.642 -2.236 1.00 0.00 H new ATOM 426 N GLY A 28 -8.231 -1.490 -2.260 1.00 0.00 N ATOM 427 CA GLY A 28 -7.625 -0.748 -3.351 1.00 0.00 C ATOM 428 C GLY A 28 -6.964 -1.733 -4.308 1.00 0.00 C ATOM 429 O GLY A 28 -7.646 -2.580 -4.883 1.00 0.00 O ATOM 0 H GLY A 28 -8.216 -2.500 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.381 -0.162 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.888 -0.044 -2.965 1.00 0.00 H new ATOM 433 N ALA A 29 -5.637 -1.639 -4.454 1.00 0.00 N ATOM 434 CA ALA A 29 -4.844 -2.605 -5.202 1.00 0.00 C ATOM 435 C ALA A 29 -4.784 -3.937 -4.450 1.00 0.00 C ATOM 436 O ALA A 29 -4.835 -4.996 -5.073 1.00 0.00 O ATOM 437 CB ALA A 29 -3.441 -2.048 -5.450 1.00 0.00 C ATOM 0 H ALA A 29 -5.085 -0.882 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.316 -2.785 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.854 -2.776 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.513 -1.123 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.955 -1.847 -4.495 1.00 0.00 H new ATOM 443 N GLY A 30 -4.705 -3.879 -3.112 1.00 0.00 N ATOM 444 CA GLY A 30 -4.757 -5.039 -2.240 1.00 0.00 C ATOM 445 C GLY A 30 -6.207 -5.467 -2.037 1.00 0.00 C ATOM 446 O GLY A 30 -6.759 -5.299 -0.951 1.00 0.00 O ATOM 0 H GLY A 30 -4.601 -3.000 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.184 -5.858 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.299 -4.804 -1.279 1.00 0.00 H new ATOM 450 N THR A 31 -6.814 -6.015 -3.097 1.00 0.00 N ATOM 451 CA THR A 31 -8.194 -6.473 -3.111 1.00 0.00 C ATOM 452 C THR A 31 -8.274 -7.834 -2.403 1.00 0.00 C ATOM 453 O THR A 31 -7.557 -8.749 -2.807 1.00 0.00 O ATOM 454 CB THR A 31 -8.673 -6.582 -4.567 1.00 0.00 C ATOM 455 OG1 THR A 31 -8.429 -5.367 -5.246 1.00 0.00 O ATOM 456 CG2 THR A 31 -10.171 -6.897 -4.637 1.00 0.00 C ATOM 0 H THR A 31 -6.339 -6.152 -3.989 1.00 0.00 H new ATOM 0 HA THR A 31 -8.838 -5.767 -2.586 1.00 0.00 H new ATOM 0 HB THR A 31 -8.120 -7.394 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.313 -4.645 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.480 -6.968 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.367 -7.845 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.733 -6.103 -4.145 1.00 0.00 H new ATOM 464 N PRO A 32 -9.124 -7.998 -1.371 1.00 0.00 N ATOM 465 CA PRO A 32 -9.327 -9.266 -0.678 1.00 0.00 C ATOM 466 C PRO A 32 -9.659 -10.422 -1.626 1.00 0.00 C ATOM 467 O PRO A 32 -10.359 -10.239 -2.620 1.00 0.00 O ATOM 468 CB PRO A 32 -10.477 -9.021 0.303 1.00 0.00 C ATOM 469 CG PRO A 32 -10.357 -7.532 0.607 1.00 0.00 C ATOM 470 CD PRO A 32 -9.904 -6.952 -0.732 1.00 0.00 C ATOM 0 HA PRO A 32 -8.409 -9.570 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.443 -9.266 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.375 -9.626 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.307 -7.107 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.633 -7.337 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.759 -6.671 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.307 -6.052 -0.587 1.00 0.00 H new HETATM 478 N NH2 A 33 -9.156 -11.620 -1.315 1.00 0.00 N TER 481 NH2 A 33 HETATM 482 C1 NAG A 300 7.967 -16.649 4.372 1.00 0.00 C HETATM 483 C2 NAG A 300 8.375 -17.609 3.240 1.00 0.00 C HETATM 484 C3 NAG A 300 7.356 -17.648 2.098 1.00 0.00 C HETATM 485 C4 NAG A 300 5.938 -17.809 2.637 1.00 0.00 C HETATM 486 C5 NAG A 300 5.675 -16.723 3.681 1.00 0.00 C HETATM 487 C6 NAG A 300 4.247 -16.740 4.233 1.00 0.00 C HETATM 488 C7 NAG A 300 10.821 -17.840 3.041 1.00 0.00 C HETATM 489 C8 NAG A 300 12.096 -17.278 2.422 1.00 0.00 C HETATM 490 N2 NAG A 300 9.676 -17.228 2.714 1.00 0.00 N HETATM 491 O3 NAG A 300 7.660 -18.708 1.216 1.00 0.00 O HETATM 492 O4 NAG A 300 5.011 -17.717 1.575 1.00 0.00 O HETATM 493 O5 NAG A 300 6.610 -16.875 4.755 1.00 0.00 O HETATM 494 O6 NAG A 300 3.977 -17.960 4.887 1.00 0.00 O HETATM 495 O7 NAG A 300 10.879 -18.803 3.806 1.00 0.00 O HETATM 0 HO6 NAG A 300 4.800 -18.302 5.294 1.00 0.00 H new HETATM 0 HO4 NAG A 300 4.163 -18.127 1.845 1.00 0.00 H new HETATM 0 HO3 NAG A 300 6.841 -19.007 0.769 1.00 0.00 H new HETATM 0 HN2 NAG A 300 9.719 -16.449 2.057 1.00 0.00 H new HETATM 0 H83 NAG A 300 12.029 -17.335 1.336 1.00 0.00 H new HETATM 0 H82 NAG A 300 12.219 -16.238 2.724 1.00 0.00 H new HETATM 0 H81 NAG A 300 12.953 -17.859 2.764 1.00 0.00 H new HETATM 0 H62 NAG A 300 4.111 -15.912 4.928 1.00 0.00 H new HETATM 0 H61 NAG A 300 3.536 -16.593 3.420 1.00 0.00 H new HETATM 0 H5 NAG A 300 5.800 -15.761 3.184 1.00 0.00 H new HETATM 0 H4 NAG A 300 5.826 -18.787 3.106 1.00 0.00 H new HETATM 0 H3 NAG A 300 7.411 -16.703 1.558 1.00 0.00 H new HETATM 0 H2 NAG A 300 8.417 -18.609 3.673 1.00 0.00 H new