USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=13 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 14 GLN : amide:sc= -0.0438 X(o=-0.036,f=-0.16) USER MOD Set 1.2: A 18 LYS NZ :NH3+ -134:sc= 0.00765 (180deg=-0.0114) USER MOD Set 2.1: A 13 SER OG : rot 9:sc=0.000629 USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0.0745 X(o=0.075,f=-0.28) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) 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 120:sc= 0.22 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 21 THR OG1 : rot 48:sc= 0.344 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0.171 USER MOD Single : A 31 THR OG1 : rot -20:sc= 0.714 USER MOD Single : A 300 NAG O3 : rot 180:sc= 0 USER MOD Single : A 300 NAG O4 : rot 160:sc= 0 USER MOD Single : A 300 NAG O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.428 -16.259 7.194 1.00 0.00 N ATOM 2 CA CYS A 1 4.367 -15.180 7.552 1.00 0.00 C ATOM 3 C CYS A 1 5.446 -15.690 8.515 1.00 0.00 C ATOM 4 O CYS A 1 5.655 -15.129 9.590 1.00 0.00 O ATOM 5 CB CYS A 1 3.592 -13.976 8.108 1.00 0.00 C ATOM 6 SG CYS A 1 4.527 -12.435 8.330 1.00 0.00 S ATOM 0 H1 CYS A 1 2.707 -15.890 6.542 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.948 -17.033 6.733 1.00 0.00 H new ATOM 0 H3 CYS A 1 2.966 -16.616 8.054 1.00 0.00 H new ATOM 0 HA CYS A 1 4.891 -14.844 6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.755 -13.773 7.440 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.169 -14.259 9.072 1.00 0.00 H new ATOM 13 N SER A 2 6.121 -16.777 8.121 1.00 0.00 N ATOM 14 CA SER A 2 7.127 -17.462 8.921 1.00 0.00 C ATOM 15 C SER A 2 8.487 -16.777 8.795 1.00 0.00 C ATOM 16 O SER A 2 9.185 -16.606 9.794 1.00 0.00 O ATOM 17 CB SER A 2 7.226 -18.924 8.470 1.00 0.00 C ATOM 18 OG SER A 2 5.981 -19.572 8.621 1.00 0.00 O ATOM 0 H SER A 2 5.973 -17.211 7.210 1.00 0.00 H new ATOM 0 HA SER A 2 6.828 -17.422 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.542 -18.969 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.986 -19.441 9.056 1.00 0.00 H new ATOM 0 HG SER A 2 6.059 -20.504 8.328 1.00 0.00 H new ATOM 24 N ASN A 3 8.867 -16.411 7.564 1.00 0.00 N ATOM 25 CA ASN A 3 10.179 -15.869 7.235 1.00 0.00 C ATOM 26 C ASN A 3 10.438 -14.534 7.933 1.00 0.00 C ATOM 27 O ASN A 3 11.545 -14.306 8.417 1.00 0.00 O ATOM 28 CB ASN A 3 10.294 -15.676 5.717 1.00 0.00 C ATOM 29 CG ASN A 3 10.111 -16.962 4.913 1.00 0.00 C ATOM 30 OD1 ASN A 3 10.075 -18.060 5.468 1.00 0.00 O ATOM 31 ND2 ASN A 3 9.991 -16.800 3.592 1.00 0.00 N ATOM 0 H ASN A 3 8.251 -16.488 6.754 1.00 0.00 H new ATOM 0 HA ASN A 3 10.925 -16.583 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.548 -14.949 5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.272 -15.252 5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.029 -15.864 3.187 1.00 0.00 H new ATOM 37 N LEU A 4 9.431 -13.649 7.942 1.00 0.00 N ATOM 38 CA LEU A 4 9.556 -12.255 8.352 1.00 0.00 C ATOM 39 C LEU A 4 10.580 -11.545 7.460 1.00 0.00 C ATOM 40 O LEU A 4 11.487 -10.875 7.951 1.00 0.00 O ATOM 41 CB LEU A 4 9.883 -12.125 9.853 1.00 0.00 C ATOM 42 CG LEU A 4 8.948 -12.927 10.775 1.00 0.00 C ATOM 43 CD1 LEU A 4 9.372 -12.717 12.232 1.00 0.00 C ATOM 44 CD2 LEU A 4 7.483 -12.511 10.606 1.00 0.00 C ATOM 0 H LEU A 4 8.484 -13.896 7.655 1.00 0.00 H new ATOM 0 HA LEU A 4 8.594 -11.761 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.909 -12.454 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.836 -11.073 10.134 1.00 0.00 H new ATOM 0 HG LEU A 4 9.029 -13.979 10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.712 -13.284 12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.398 -13.060 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.308 -11.658 12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.857 -13.102 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.375 -11.454 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.173 -12.681 9.575 1.00 0.00 H new ATOM 56 N SER A 5 10.426 -11.712 6.140 1.00 0.00 N ATOM 57 CA SER A 5 11.319 -11.169 5.129 1.00 0.00 C ATOM 58 C SER A 5 10.553 -11.066 3.813 1.00 0.00 C ATOM 59 O SER A 5 10.304 -9.962 3.334 1.00 0.00 O ATOM 60 CB SER A 5 12.569 -12.049 5.002 1.00 0.00 C ATOM 61 OG SER A 5 13.420 -11.541 3.997 1.00 0.00 O ATOM 0 H SER A 5 9.652 -12.245 5.743 1.00 0.00 H new ATOM 0 HA SER A 5 11.660 -10.173 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.098 -12.082 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.280 -13.072 4.762 1.00 0.00 H new ATOM 0 HG SER A 5 14.216 -12.108 3.925 1.00 0.00 H new ATOM 67 N THR A 6 10.144 -12.212 3.252 1.00 0.00 N ATOM 68 CA THR A 6 9.240 -12.264 2.110 1.00 0.00 C ATOM 69 C THR A 6 7.891 -11.650 2.498 1.00 0.00 C ATOM 70 O THR A 6 7.312 -10.890 1.725 1.00 0.00 O ATOM 71 CB THR A 6 9.063 -13.712 1.628 1.00 0.00 C ATOM 72 OG1 THR A 6 8.479 -14.499 2.645 1.00 0.00 O ATOM 73 CG2 THR A 6 10.390 -14.341 1.186 1.00 0.00 C ATOM 0 H THR A 6 10.436 -13.131 3.585 1.00 0.00 H new ATOM 0 HA THR A 6 9.667 -11.689 1.288 1.00 0.00 H new ATOM 0 HB THR A 6 8.403 -13.683 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.629 -14.868 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.215 -15.364 0.854 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.813 -13.760 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.087 -14.346 2.024 1.00 0.00 H new ATOM 81 N CYS A 7 7.418 -11.969 3.711 1.00 0.00 N ATOM 82 CA CYS A 7 6.205 -11.423 4.298 1.00 0.00 C ATOM 83 C CYS A 7 6.303 -9.904 4.448 1.00 0.00 C ATOM 84 O CYS A 7 5.365 -9.196 4.092 1.00 0.00 O ATOM 85 CB CYS A 7 5.962 -12.092 5.655 1.00 0.00 C ATOM 86 SG CYS A 7 4.469 -11.518 6.508 1.00 0.00 S ATOM 0 H CYS A 7 7.890 -12.635 4.322 1.00 0.00 H new ATOM 0 HA CYS A 7 5.363 -11.629 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.892 -13.170 5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.825 -11.913 6.296 1.00 0.00 H new ATOM 91 N VAL A 8 7.432 -9.410 4.973 1.00 0.00 N ATOM 92 CA VAL A 8 7.668 -7.991 5.214 1.00 0.00 C ATOM 93 C VAL A 8 7.659 -7.215 3.894 1.00 0.00 C ATOM 94 O VAL A 8 6.939 -6.226 3.771 1.00 0.00 O ATOM 95 CB VAL A 8 8.982 -7.808 5.995 1.00 0.00 C ATOM 96 CG1 VAL A 8 9.352 -6.327 6.143 1.00 0.00 C ATOM 97 CG2 VAL A 8 8.857 -8.423 7.395 1.00 0.00 C ATOM 0 H VAL A 8 8.218 -10.001 5.245 1.00 0.00 H new ATOM 0 HA VAL A 8 6.862 -7.583 5.825 1.00 0.00 H new ATOM 0 HB VAL A 8 9.765 -8.312 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.285 -6.239 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.475 -5.882 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.559 -5.806 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.793 -8.287 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.049 -7.932 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.640 -9.488 7.307 1.00 0.00 H new ATOM 107 N LEU A 9 8.447 -7.671 2.911 1.00 0.00 N ATOM 108 CA LEU A 9 8.529 -7.071 1.585 1.00 0.00 C ATOM 109 C LEU A 9 7.158 -7.059 0.903 1.00 0.00 C ATOM 110 O LEU A 9 6.762 -6.037 0.347 1.00 0.00 O ATOM 111 CB LEU A 9 9.553 -7.832 0.730 1.00 0.00 C ATOM 112 CG LEU A 9 11.006 -7.625 1.193 1.00 0.00 C ATOM 113 CD1 LEU A 9 11.901 -8.687 0.542 1.00 0.00 C ATOM 114 CD2 LEU A 9 11.531 -6.233 0.820 1.00 0.00 C ATOM 0 H LEU A 9 9.054 -8.483 3.024 1.00 0.00 H new ATOM 0 HA LEU A 9 8.857 -6.037 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.319 -8.896 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.460 -7.511 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 9 11.027 -7.715 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.931 -8.544 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.562 -9.680 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 9 11.847 -8.593 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.560 -6.128 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.497 -6.109 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.910 -5.471 1.292 1.00 0.00 H new ATOM 126 N GLY A 10 6.433 -8.182 0.959 1.00 0.00 N ATOM 127 CA GLY A 10 5.097 -8.312 0.398 1.00 0.00 C ATOM 128 C GLY A 10 4.115 -7.327 1.033 1.00 0.00 C ATOM 129 O GLY A 10 3.334 -6.695 0.324 1.00 0.00 O ATOM 0 H GLY A 10 6.770 -9.036 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.137 -8.143 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.738 -9.330 0.547 1.00 0.00 H new ATOM 133 N LYS A 11 4.160 -7.201 2.365 1.00 0.00 N ATOM 134 CA LYS A 11 3.274 -6.349 3.144 1.00 0.00 C ATOM 135 C LYS A 11 3.458 -4.877 2.771 1.00 0.00 C ATOM 136 O LYS A 11 2.483 -4.218 2.416 1.00 0.00 O ATOM 137 CB LYS A 11 3.521 -6.597 4.639 1.00 0.00 C ATOM 138 CG LYS A 11 2.641 -5.709 5.527 1.00 0.00 C ATOM 139 CD LYS A 11 2.748 -6.091 7.011 1.00 0.00 C ATOM 140 CE LYS A 11 4.179 -6.056 7.565 1.00 0.00 C ATOM 141 NZ LYS A 11 4.834 -4.756 7.339 1.00 0.00 N ATOM 0 H LYS A 11 4.835 -7.706 2.940 1.00 0.00 H new ATOM 0 HA LYS A 11 2.238 -6.600 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.326 -7.644 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.570 -6.411 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.933 -4.667 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.603 -5.791 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.127 -5.412 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.341 -7.093 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.158 -6.269 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.768 -6.844 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.779 -4.763 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.925 -4.586 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.262 -4.000 7.766 1.00 0.00 H new ATOM 155 N LEU A 12 4.692 -4.360 2.858 1.00 0.00 N ATOM 156 CA LEU A 12 4.971 -2.957 2.573 1.00 0.00 C ATOM 157 C LEU A 12 4.746 -2.621 1.096 1.00 0.00 C ATOM 158 O LEU A 12 4.278 -1.527 0.791 1.00 0.00 O ATOM 159 CB LEU A 12 6.355 -2.544 3.103 1.00 0.00 C ATOM 160 CG LEU A 12 7.562 -3.197 2.406 1.00 0.00 C ATOM 161 CD1 LEU A 12 8.077 -2.363 1.223 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.710 -3.351 3.411 1.00 0.00 C ATOM 0 H LEU A 12 5.514 -4.902 3.126 1.00 0.00 H new ATOM 0 HA LEU A 12 4.250 -2.348 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.449 -1.462 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.401 -2.781 4.166 1.00 0.00 H new ATOM 0 HG LEU A 12 7.228 -4.164 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.929 -2.867 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.283 -2.250 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.385 -1.380 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.565 -3.813 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.996 -2.370 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.386 -3.979 4.240 1.00 0.00 H new ATOM 174 N SER A 13 5.039 -3.560 0.185 1.00 0.00 N ATOM 175 CA SER A 13 4.789 -3.389 -1.240 1.00 0.00 C ATOM 176 C SER A 13 3.290 -3.218 -1.496 1.00 0.00 C ATOM 177 O SER A 13 2.883 -2.250 -2.135 1.00 0.00 O ATOM 178 CB SER A 13 5.361 -4.581 -2.015 1.00 0.00 C ATOM 179 OG SER A 13 5.110 -4.436 -3.395 1.00 0.00 O ATOM 0 H SER A 13 5.457 -4.459 0.424 1.00 0.00 H new ATOM 0 HA SER A 13 5.290 -2.487 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.434 -4.656 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.914 -5.507 -1.653 1.00 0.00 H new ATOM 0 HG SER A 13 4.745 -3.543 -3.569 1.00 0.00 H new ATOM 185 N GLN A 14 2.478 -4.144 -0.968 1.00 0.00 N ATOM 186 CA GLN A 14 1.026 -4.104 -1.065 1.00 0.00 C ATOM 187 C GLN A 14 0.470 -2.806 -0.478 1.00 0.00 C ATOM 188 O GLN A 14 -0.406 -2.198 -1.086 1.00 0.00 O ATOM 189 CB GLN A 14 0.431 -5.340 -0.372 1.00 0.00 C ATOM 190 CG GLN A 14 -1.105 -5.341 -0.333 1.00 0.00 C ATOM 191 CD GLN A 14 -1.738 -5.160 -1.713 1.00 0.00 C ATOM 192 OE1 GLN A 14 -2.464 -4.195 -1.943 1.00 0.00 O ATOM 193 NE2 GLN A 14 -1.466 -6.091 -2.632 1.00 0.00 N ATOM 0 H GLN A 14 2.826 -4.953 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 14 0.738 -4.124 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.774 -6.237 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.812 -5.394 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.451 -6.280 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.447 -4.542 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.858 -6.876 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.866 -6.017 -3.567 1.00 0.00 H new ATOM 202 N GLU A 15 0.974 -2.379 0.687 1.00 0.00 N ATOM 203 CA GLU A 15 0.532 -1.161 1.351 1.00 0.00 C ATOM 204 C GLU A 15 0.766 0.064 0.463 1.00 0.00 C ATOM 205 O GLU A 15 -0.148 0.864 0.276 1.00 0.00 O ATOM 206 CB GLU A 15 1.245 -1.019 2.703 1.00 0.00 C ATOM 207 CG GLU A 15 0.833 0.253 3.455 1.00 0.00 C ATOM 208 CD GLU A 15 -0.670 0.298 3.729 1.00 0.00 C ATOM 209 OE1 GLU A 15 -1.108 -0.463 4.619 1.00 0.00 O ATOM 210 OE2 GLU A 15 -1.355 1.087 3.042 1.00 0.00 O ATOM 0 H GLU A 15 1.705 -2.878 1.193 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.541 -1.226 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.023 -1.890 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.323 -1.009 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.375 0.307 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.121 1.128 2.872 1.00 0.00 H new ATOM 217 N LEU A 16 1.980 0.203 -0.086 1.00 0.00 N ATOM 218 CA LEU A 16 2.344 1.305 -0.968 1.00 0.00 C ATOM 219 C LEU A 16 1.437 1.349 -2.201 1.00 0.00 C ATOM 220 O LEU A 16 1.013 2.429 -2.607 1.00 0.00 O ATOM 221 CB LEU A 16 3.818 1.189 -1.382 1.00 0.00 C ATOM 222 CG LEU A 16 4.794 1.512 -0.238 1.00 0.00 C ATOM 223 CD1 LEU A 16 6.187 0.977 -0.590 1.00 0.00 C ATOM 224 CD2 LEU A 16 4.890 3.022 0.016 1.00 0.00 C ATOM 0 H LEU A 16 2.741 -0.457 0.075 1.00 0.00 H new ATOM 0 HA LEU A 16 2.207 2.238 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.010 0.178 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.009 1.864 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 16 4.417 1.036 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.880 1.205 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.137 -0.103 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.536 1.448 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.589 3.210 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.242 3.521 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.907 3.409 0.284 1.00 0.00 H new ATOM 236 N HIS A 17 1.122 0.183 -2.782 1.00 0.00 N ATOM 237 CA HIS A 17 0.215 0.079 -3.918 1.00 0.00 C ATOM 238 C HIS A 17 -1.204 0.499 -3.526 1.00 0.00 C ATOM 239 O HIS A 17 -1.864 1.210 -4.280 1.00 0.00 O ATOM 240 CB HIS A 17 0.213 -1.354 -4.468 1.00 0.00 C ATOM 241 CG HIS A 17 1.563 -1.872 -4.896 1.00 0.00 C ATOM 242 ND1 HIS A 17 2.643 -1.044 -5.168 1.00 0.00 N ATOM 243 CD2 HIS A 17 2.030 -3.149 -5.097 1.00 0.00 C ATOM 244 CE1 HIS A 17 3.678 -1.833 -5.502 1.00 0.00 C ATOM 245 NE2 HIS A 17 3.365 -3.130 -5.486 1.00 0.00 N ATOM 0 H HIS A 17 1.494 -0.714 -2.471 1.00 0.00 H new ATOM 0 HA HIS A 17 0.567 0.755 -4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.190 -2.020 -3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.464 -1.399 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.441 -4.045 -4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.658 -1.458 -5.756 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.966 -3.924 -5.708 1.00 0.00 H new ATOM 253 N LYS A 18 -1.667 0.053 -2.351 1.00 0.00 N ATOM 254 CA LYS A 18 -3.015 0.272 -1.847 1.00 0.00 C ATOM 255 C LYS A 18 -3.299 1.765 -1.680 1.00 0.00 C ATOM 256 O LYS A 18 -4.276 2.266 -2.233 1.00 0.00 O ATOM 257 CB LYS A 18 -3.189 -0.501 -0.533 1.00 0.00 C ATOM 258 CG LYS A 18 -4.638 -0.483 -0.035 1.00 0.00 C ATOM 259 CD LYS A 18 -4.783 -1.162 1.336 1.00 0.00 C ATOM 260 CE LYS A 18 -4.247 -2.599 1.392 1.00 0.00 C ATOM 261 NZ LYS A 18 -4.841 -3.458 0.354 1.00 0.00 N ATOM 0 H LYS A 18 -1.088 -0.488 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.743 -0.102 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.869 -1.533 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.540 -0.069 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.986 0.548 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.277 -0.988 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.260 -0.563 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.837 -1.169 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.164 -2.585 1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.454 -3.024 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.131 -4.363 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.672 -2.985 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.140 -3.634 -0.394 1.00 0.00 H new ATOM 275 N LEU A 19 -2.441 2.478 -0.939 1.00 0.00 N ATOM 276 CA LEU A 19 -2.580 3.915 -0.729 1.00 0.00 C ATOM 277 C LEU A 19 -2.377 4.727 -2.012 1.00 0.00 C ATOM 278 O LEU A 19 -2.785 5.884 -2.055 1.00 0.00 O ATOM 279 CB LEU A 19 -1.680 4.385 0.427 1.00 0.00 C ATOM 280 CG LEU A 19 -0.163 4.244 0.193 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.450 5.442 -0.545 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.542 4.108 1.547 1.00 0.00 C ATOM 0 H LEU A 19 -1.632 2.070 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.613 4.105 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.901 5.432 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.945 3.821 1.322 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.022 3.362 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.520 5.279 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.024 5.550 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.291 6.349 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.616 4.008 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.345 4.994 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.167 3.225 2.065 1.00 0.00 H new ATOM 294 N GLN A 20 -1.765 4.132 -3.049 1.00 0.00 N ATOM 295 CA GLN A 20 -1.569 4.749 -4.355 1.00 0.00 C ATOM 296 C GLN A 20 -2.768 4.515 -5.285 1.00 0.00 C ATOM 297 O GLN A 20 -2.923 5.245 -6.262 1.00 0.00 O ATOM 298 CB GLN A 20 -0.258 4.224 -4.955 1.00 0.00 C ATOM 299 CG GLN A 20 0.110 4.915 -6.272 1.00 0.00 C ATOM 300 CD GLN A 20 1.553 4.614 -6.672 1.00 0.00 C ATOM 301 OE1 GLN A 20 2.389 5.514 -6.716 1.00 0.00 O ATOM 302 NE2 GLN A 20 1.846 3.344 -6.963 1.00 0.00 N ATOM 0 H GLN A 20 -1.387 3.186 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.497 5.830 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.549 4.368 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.345 3.151 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.565 4.583 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.024 5.992 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.120 2.629 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.795 3.089 -7.235 1.00 0.00 H new ATOM 311 N THR A 21 -3.628 3.529 -4.982 1.00 0.00 N ATOM 312 CA THR A 21 -4.802 3.203 -5.784 1.00 0.00 C ATOM 313 C THR A 21 -5.768 4.387 -5.859 1.00 0.00 C ATOM 314 O THR A 21 -6.170 4.780 -6.953 1.00 0.00 O ATOM 315 CB THR A 21 -5.509 1.963 -5.209 1.00 0.00 C ATOM 316 OG1 THR A 21 -4.595 0.892 -5.112 1.00 0.00 O ATOM 317 CG2 THR A 21 -6.685 1.523 -6.088 1.00 0.00 C ATOM 0 H THR A 21 -3.520 2.933 -4.162 1.00 0.00 H new ATOM 0 HA THR A 21 -4.470 2.981 -6.798 1.00 0.00 H new ATOM 0 HB THR A 21 -5.890 2.232 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.767 1.206 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.159 0.645 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.412 2.332 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.322 1.279 -7.086 1.00 0.00 H new ATOM 325 N TYR A 22 -6.164 4.928 -4.699 1.00 0.00 N ATOM 326 CA TYR A 22 -7.233 5.917 -4.612 1.00 0.00 C ATOM 327 C TYR A 22 -6.815 7.267 -5.212 1.00 0.00 C ATOM 328 O TYR A 22 -7.561 7.797 -6.034 1.00 0.00 O ATOM 329 CB TYR A 22 -7.808 6.014 -3.188 1.00 0.00 C ATOM 330 CG TYR A 22 -7.829 4.693 -2.441 1.00 0.00 C ATOM 331 CD1 TYR A 22 -8.653 3.646 -2.896 1.00 0.00 C ATOM 332 CD2 TYR A 22 -6.918 4.458 -1.392 1.00 0.00 C ATOM 333 CE1 TYR A 22 -8.576 2.376 -2.298 1.00 0.00 C ATOM 334 CE2 TYR A 22 -6.855 3.194 -0.782 1.00 0.00 C ATOM 335 CZ TYR A 22 -7.678 2.150 -1.239 1.00 0.00 C ATOM 336 OH TYR A 22 -7.605 0.918 -0.656 1.00 0.00 O ATOM 0 H TYR A 22 -5.749 4.689 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.059 5.571 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.220 6.733 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.824 6.405 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.346 3.819 -3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.267 5.251 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.206 1.574 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.174 3.024 0.039 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.828 0.230 -1.317 1.00 0.00 H new ATOM 346 N PRO A 23 -5.628 7.814 -4.880 1.00 0.00 N ATOM 347 CA PRO A 23 -5.053 8.960 -5.577 1.00 0.00 C ATOM 348 C PRO A 23 -4.868 8.697 -7.076 1.00 0.00 C ATOM 349 O PRO A 23 -5.017 9.618 -7.877 1.00 0.00 O ATOM 350 CB PRO A 23 -3.700 9.225 -4.910 1.00 0.00 C ATOM 351 CG PRO A 23 -3.849 8.592 -3.532 1.00 0.00 C ATOM 352 CD PRO A 23 -4.712 7.374 -3.842 1.00 0.00 C ATOM 0 HA PRO A 23 -5.721 9.818 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.881 8.775 -5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.490 10.292 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.886 8.313 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.331 9.265 -2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.104 6.536 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.252 7.037 -2.957 1.00 0.00 H new ATOM 360 N ARG A 24 -4.539 7.444 -7.430 1.00 0.00 N ATOM 361 CA ARG A 24 -4.352 6.933 -8.783 1.00 0.00 C ATOM 362 C ARG A 24 -3.006 7.377 -9.358 1.00 0.00 C ATOM 363 O ARG A 24 -2.095 6.560 -9.481 1.00 0.00 O ATOM 364 CB ARG A 24 -5.538 7.278 -9.699 1.00 0.00 C ATOM 365 CG ARG A 24 -5.461 6.492 -11.015 1.00 0.00 C ATOM 366 CD ARG A 24 -6.452 7.044 -12.043 1.00 0.00 C ATOM 367 NE ARG A 24 -6.050 8.382 -12.497 1.00 0.00 N ATOM 368 CZ ARG A 24 -6.759 9.161 -13.330 1.00 0.00 C ATOM 369 NH1 ARG A 24 -7.935 8.750 -13.829 1.00 0.00 N ATOM 370 NH2 ARG A 24 -6.283 10.368 -13.666 1.00 0.00 N ATOM 0 H ARG A 24 -4.389 6.720 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.327 5.845 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.474 7.051 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.541 8.348 -9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.449 6.545 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.675 5.440 -10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.510 6.369 -12.897 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.449 7.089 -11.604 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.163 8.748 -12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.303 7.833 -13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.460 9.355 -14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.390 10.687 -13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.814 10.968 -14.298 1.00 0.00 H new ATOM 384 N THR A 25 -2.897 8.658 -9.735 1.00 0.00 N ATOM 385 CA THR A 25 -1.751 9.209 -10.446 1.00 0.00 C ATOM 386 C THR A 25 -0.681 9.630 -9.433 1.00 0.00 C ATOM 387 O THR A 25 -0.382 10.814 -9.286 1.00 0.00 O ATOM 388 CB THR A 25 -2.227 10.359 -11.353 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.347 9.933 -12.104 1.00 0.00 O ATOM 390 CG2 THR A 25 -1.136 10.802 -12.336 1.00 0.00 C ATOM 0 H THR A 25 -3.623 9.350 -9.547 1.00 0.00 H new ATOM 0 HA THR A 25 -1.291 8.464 -11.095 1.00 0.00 H new ATOM 0 HB THR A 25 -2.480 11.200 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.365 10.406 -12.962 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.514 11.615 -12.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.263 11.145 -11.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.855 9.962 -12.971 1.00 0.00 H new ATOM 398 N ASP A 26 -0.123 8.633 -8.731 1.00 0.00 N ATOM 399 CA ASP A 26 0.860 8.763 -7.666 1.00 0.00 C ATOM 400 C ASP A 26 0.389 9.744 -6.583 1.00 0.00 C ATOM 401 O ASP A 26 -0.356 9.327 -5.701 1.00 0.00 O ATOM 402 CB ASP A 26 2.262 9.027 -8.240 1.00 0.00 C ATOM 403 CG ASP A 26 3.362 8.788 -7.204 1.00 0.00 C ATOM 404 OD1 ASP A 26 3.298 9.427 -6.132 1.00 0.00 O ATOM 405 OD2 ASP A 26 4.252 7.961 -7.499 1.00 0.00 O ATOM 0 H ASP A 26 -0.366 7.659 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 26 0.953 7.813 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.429 8.380 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.319 10.055 -8.598 1.00 0.00 H new ATOM 410 N VAL A 27 0.816 11.016 -6.674 1.00 0.00 N ATOM 411 CA VAL A 27 0.526 12.161 -5.811 1.00 0.00 C ATOM 412 C VAL A 27 0.514 11.852 -4.305 1.00 0.00 C ATOM 413 O VAL A 27 1.484 12.172 -3.620 1.00 0.00 O ATOM 414 CB VAL A 27 -0.658 12.991 -6.352 1.00 0.00 C ATOM 415 CG1 VAL A 27 -2.024 12.293 -6.352 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.772 14.325 -5.604 1.00 0.00 C ATOM 0 H VAL A 27 1.437 11.289 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 27 1.387 12.827 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.410 13.145 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.779 12.970 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.975 11.397 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.291 12.015 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.613 14.894 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.932 14.135 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.147 14.896 -5.736 1.00 0.00 H new ATOM 426 N GLY A 28 -0.548 11.221 -3.786 1.00 0.00 N ATOM 427 CA GLY A 28 -0.611 10.728 -2.417 1.00 0.00 C ATOM 428 C GLY A 28 0.083 9.369 -2.308 1.00 0.00 C ATOM 429 O GLY A 28 -0.519 8.399 -1.850 1.00 0.00 O ATOM 0 H GLY A 28 -1.398 11.039 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.135 11.442 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.651 10.639 -2.103 1.00 0.00 H new ATOM 433 N ALA A 29 1.351 9.313 -2.737 1.00 0.00 N ATOM 434 CA ALA A 29 2.189 8.123 -2.744 1.00 0.00 C ATOM 435 C ALA A 29 3.651 8.557 -2.914 1.00 0.00 C ATOM 436 O ALA A 29 3.983 9.712 -2.646 1.00 0.00 O ATOM 437 CB ALA A 29 1.720 7.171 -3.852 1.00 0.00 C ATOM 0 H ALA A 29 1.834 10.134 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 29 2.108 7.578 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.348 6.280 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.684 6.884 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.794 7.672 -4.817 1.00 0.00 H new ATOM 443 N GLY A 30 4.525 7.639 -3.351 1.00 0.00 N ATOM 444 CA GLY A 30 5.951 7.882 -3.513 1.00 0.00 C ATOM 445 C GLY A 30 6.240 8.708 -4.766 1.00 0.00 C ATOM 446 O GLY A 30 6.721 8.173 -5.764 1.00 0.00 O ATOM 0 H GLY A 30 4.247 6.691 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.334 8.403 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.479 6.930 -3.574 1.00 0.00 H new ATOM 450 N THR A 31 5.961 10.015 -4.696 1.00 0.00 N ATOM 451 CA THR A 31 6.168 10.962 -5.782 1.00 0.00 C ATOM 452 C THR A 31 7.656 11.138 -6.126 1.00 0.00 C ATOM 453 O THR A 31 7.973 11.158 -7.315 1.00 0.00 O ATOM 454 CB THR A 31 5.453 12.293 -5.485 1.00 0.00 C ATOM 455 OG1 THR A 31 4.101 12.051 -5.153 1.00 0.00 O ATOM 456 CG2 THR A 31 5.488 13.229 -6.699 1.00 0.00 C ATOM 0 H THR A 31 5.575 10.448 -3.857 1.00 0.00 H new ATOM 0 HA THR A 31 5.713 10.549 -6.682 1.00 0.00 H new ATOM 0 HB THR A 31 5.975 12.765 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.835 11.168 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.975 14.159 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.523 13.444 -6.963 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.991 12.750 -7.542 1.00 0.00 H new ATOM 464 N PRO A 32 8.582 11.248 -5.150 1.00 0.00 N ATOM 465 CA PRO A 32 10.010 11.383 -5.424 1.00 0.00 C ATOM 466 C PRO A 32 10.565 10.213 -6.242 1.00 0.00 C ATOM 467 O PRO A 32 10.074 9.089 -6.146 1.00 0.00 O ATOM 468 CB PRO A 32 10.699 11.468 -4.058 1.00 0.00 C ATOM 469 CG PRO A 32 9.598 12.000 -3.146 1.00 0.00 C ATOM 470 CD PRO A 32 8.356 11.319 -3.714 1.00 0.00 C ATOM 0 HA PRO A 32 10.194 12.271 -6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.060 10.494 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.560 12.136 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.768 11.733 -2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.523 13.087 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.222 10.325 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.455 11.888 -3.485 1.00 0.00 H new HETATM 478 N NH2 A 33 11.596 10.478 -7.048 1.00 0.00 N TER 481 NH2 A 33 HETATM 482 C1 NAG A 300 9.746 -17.883 2.660 1.00 0.00 C HETATM 483 C2 NAG A 300 8.388 -17.701 1.974 1.00 0.00 C HETATM 484 C3 NAG A 300 8.150 -18.844 0.990 1.00 0.00 C HETATM 485 C4 NAG A 300 9.302 -18.877 -0.015 1.00 0.00 C HETATM 486 C5 NAG A 300 10.659 -18.949 0.702 1.00 0.00 C HETATM 487 C6 NAG A 300 11.844 -18.880 -0.264 1.00 0.00 C HETATM 488 C7 NAG A 300 6.976 -18.464 3.882 1.00 0.00 C HETATM 489 C8 NAG A 300 5.792 -18.093 4.767 1.00 0.00 C HETATM 490 N2 NAG A 300 7.297 -17.576 2.932 1.00 0.00 N HETATM 491 O3 NAG A 300 6.922 -18.665 0.315 1.00 0.00 O HETATM 492 O4 NAG A 300 9.148 -19.983 -0.880 1.00 0.00 O HETATM 493 O5 NAG A 300 10.772 -17.892 1.664 1.00 0.00 O HETATM 494 O6 NAG A 300 11.841 -17.659 -0.972 1.00 0.00 O HETATM 495 O7 NAG A 300 7.576 -19.523 4.062 1.00 0.00 O HETATM 0 HO6 NAG A 300 12.607 -17.633 -1.583 1.00 0.00 H new HETATM 0 HO4 NAG A 300 9.671 -19.836 -1.695 1.00 0.00 H new HETATM 0 HO3 NAG A 300 6.783 -19.404 -0.314 1.00 0.00 H new HETATM 0 HN2 NAG A 300 6.724 -16.734 2.874 1.00 0.00 H new HETATM 0 H83 NAG A 300 6.004 -17.158 5.285 1.00 0.00 H new HETATM 0 H82 NAG A 300 4.901 -17.972 4.151 1.00 0.00 H new HETATM 0 H81 NAG A 300 5.623 -18.883 5.499 1.00 0.00 H new HETATM 0 H62 NAG A 300 12.777 -18.983 0.290 1.00 0.00 H new HETATM 0 H61 NAG A 300 11.796 -19.713 -0.966 1.00 0.00 H new HETATM 0 H5 NAG A 300 10.694 -19.918 1.201 1.00 0.00 H new HETATM 0 H4 NAG A 300 9.278 -17.956 -0.598 1.00 0.00 H new HETATM 0 H3 NAG A 300 8.106 -19.788 1.533 1.00 0.00 H new HETATM 0 H2 NAG A 300 8.410 -16.762 1.421 1.00 0.00 H new