USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.59) USER MOD Single : A 32 THR OG1 : rot -50:sc= 0.924 USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 5 14.056 -1.357 1.095 1.00 0.00 N ATOM 46 CA VAL A 5 14.516 -0.168 0.390 1.00 0.00 C ATOM 47 C VAL A 5 13.331 0.322 -0.445 1.00 0.00 C ATOM 48 O VAL A 5 12.709 -0.457 -1.169 1.00 0.00 O ATOM 49 CB VAL A 5 15.807 -0.440 -0.415 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.740 -1.652 -1.357 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.250 0.807 -1.194 1.00 0.00 C ATOM 0 HA VAL A 5 14.816 0.624 1.076 1.00 0.00 H new ATOM 0 HB VAL A 5 16.551 -0.691 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.692 -1.761 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.538 -2.553 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.943 -1.503 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.161 0.584 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.463 1.101 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.441 1.623 -0.497 1.00 0.00 H new ATOM 61 N ARG A 6 12.985 1.604 -0.299 1.00 0.00 N ATOM 62 CA ARG A 6 11.919 2.283 -1.025 1.00 0.00 C ATOM 63 C ARG A 6 12.131 3.789 -0.892 1.00 0.00 C ATOM 64 O ARG A 6 12.959 4.225 -0.084 1.00 0.00 O ATOM 65 CB ARG A 6 10.517 1.820 -0.544 1.00 0.00 C ATOM 66 CG ARG A 6 10.248 1.702 0.969 1.00 0.00 C ATOM 67 CD ARG A 6 10.334 3.023 1.742 1.00 0.00 C ATOM 68 NE ARG A 6 9.783 2.888 3.105 1.00 0.00 N ATOM 69 CZ ARG A 6 8.648 3.428 3.566 1.00 0.00 C ATOM 70 NH1 ARG A 6 7.822 4.082 2.749 1.00 0.00 N ATOM 71 NH2 ARG A 6 8.336 3.312 4.852 1.00 0.00 N ATOM 0 H ARG A 6 13.464 2.220 0.358 1.00 0.00 H new ATOM 0 HA ARG A 6 11.958 2.020 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.783 2.512 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.321 0.845 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.256 1.276 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.963 0.999 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.374 3.346 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.789 3.798 1.203 1.00 0.00 H new ATOM 0 HE ARG A 6 10.322 2.326 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.052 4.176 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.960 4.489 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.960 2.813 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.472 3.722 5.206 1.00 0.00 H new ATOM 85 N THR A 7 11.367 4.557 -1.656 1.00 0.00 N ATOM 86 CA THR A 7 11.254 6.007 -1.541 1.00 0.00 C ATOM 87 C THR A 7 9.995 6.297 -0.723 1.00 0.00 C ATOM 88 O THR A 7 9.120 5.441 -0.553 1.00 0.00 O ATOM 89 CB THR A 7 11.235 6.620 -2.959 1.00 0.00 C ATOM 90 OG1 THR A 7 12.253 6.042 -3.758 1.00 0.00 O ATOM 91 CG2 THR A 7 11.470 8.135 -2.978 1.00 0.00 C ATOM 0 H THR A 7 10.786 4.174 -2.402 1.00 0.00 H new ATOM 0 HA THR A 7 12.100 6.462 -1.026 1.00 0.00 H new ATOM 0 HB THR A 7 10.237 6.413 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.229 6.437 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.443 8.495 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.691 8.631 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.444 8.358 -2.541 1.00 0.00 H new ATOM 99 N ILE A 8 9.926 7.511 -0.192 1.00 0.00 N ATOM 100 CA ILE A 8 8.834 8.002 0.639 1.00 0.00 C ATOM 101 C ILE A 8 8.221 9.227 -0.056 1.00 0.00 C ATOM 102 O ILE A 8 8.763 9.700 -1.057 1.00 0.00 O ATOM 103 CB ILE A 8 9.363 8.278 2.070 1.00 0.00 C ATOM 104 CG1 ILE A 8 10.239 9.539 2.133 1.00 0.00 C ATOM 105 CG2 ILE A 8 10.139 7.060 2.620 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.646 9.866 3.571 1.00 0.00 C ATOM 0 H ILE A 8 10.657 8.208 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 8 8.038 7.267 0.754 1.00 0.00 H new ATOM 0 HB ILE A 8 8.490 8.452 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.132 9.394 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.696 10.382 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.499 7.281 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.479 6.193 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.987 6.845 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.265 10.763 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.753 10.036 4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.211 9.032 3.988 1.00 0.00 H new ATOM 118 N TRP A 9 7.126 9.772 0.476 1.00 0.00 N ATOM 119 CA TRP A 9 6.583 11.052 0.035 1.00 0.00 C ATOM 120 C TRP A 9 5.957 11.701 1.263 1.00 0.00 C ATOM 121 O TRP A 9 4.793 11.467 1.593 1.00 0.00 O ATOM 122 CB TRP A 9 5.623 10.893 -1.158 1.00 0.00 C ATOM 123 CG TRP A 9 5.842 11.880 -2.268 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.363 11.569 -3.474 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.611 13.326 -2.304 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.394 12.686 -4.280 1.00 0.00 N ATOM 127 CE2 TRP A 9 5.940 13.801 -3.612 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.178 14.294 -1.369 1.00 0.00 C ATOM 129 CZ2 TRP A 9 5.797 15.145 -3.987 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.076 15.655 -1.723 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.363 16.078 -3.033 1.00 0.00 C ATOM 0 H TRP A 9 6.591 9.335 1.227 1.00 0.00 H new ATOM 0 HA TRP A 9 7.362 11.705 -0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.726 9.885 -1.559 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.598 10.990 -0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.706 10.587 -3.765 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.713 12.687 -5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.921 13.986 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.018 15.458 -4.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.775 16.380 -0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.250 17.117 -3.304 1.00 0.00 H new ATOM 142 N VAL A 10 6.780 12.444 1.996 1.00 0.00 N ATOM 143 CA VAL A 10 6.427 13.010 3.294 1.00 0.00 C ATOM 144 C VAL A 10 6.868 14.475 3.325 1.00 0.00 C ATOM 145 O VAL A 10 7.809 14.858 2.620 1.00 0.00 O ATOM 146 CB VAL A 10 7.077 12.122 4.384 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.575 12.375 4.485 1.00 0.00 C ATOM 148 CG2 VAL A 10 6.454 12.279 5.774 1.00 0.00 C ATOM 0 H VAL A 10 7.728 12.674 1.699 1.00 0.00 H new ATOM 0 HA VAL A 10 5.353 13.014 3.481 1.00 0.00 H new ATOM 0 HB VAL A 10 6.886 11.100 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.001 11.736 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.047 12.150 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.751 13.420 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.966 11.623 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.554 13.313 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.398 12.012 5.732 1.00 0.00 H new ATOM 158 N GLY A 11 6.222 15.276 4.172 1.00 0.00 N ATOM 159 CA GLY A 11 6.672 16.632 4.455 1.00 0.00 C ATOM 160 C GLY A 11 5.820 17.298 5.528 1.00 0.00 C ATOM 161 O GLY A 11 6.301 17.528 6.638 1.00 0.00 O ATOM 0 H GLY A 11 5.379 15.003 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.713 16.610 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.635 17.225 3.541 1.00 0.00 H new ATOM 165 N GLY A 12 4.541 17.543 5.236 1.00 0.00 N ATOM 166 CA GLY A 12 3.622 18.281 6.105 1.00 0.00 C ATOM 167 C GLY A 12 3.010 17.396 7.191 1.00 0.00 C ATOM 168 O GLY A 12 1.817 17.508 7.480 1.00 0.00 O ATOM 0 H GLY A 12 4.106 17.227 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.154 19.109 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.825 18.715 5.501 1.00 0.00 H new ATOM 172 N THR A 13 3.806 16.493 7.759 1.00 0.00 N ATOM 173 CA THR A 13 3.401 15.418 8.647 1.00 0.00 C ATOM 174 C THR A 13 4.575 15.200 9.614 1.00 0.00 C ATOM 175 O THR A 13 5.325 14.236 9.443 1.00 0.00 O ATOM 176 CB THR A 13 3.063 14.168 7.798 1.00 0.00 C ATOM 177 OG1 THR A 13 4.013 14.002 6.758 1.00 0.00 O ATOM 178 CG2 THR A 13 1.685 14.249 7.134 1.00 0.00 C ATOM 0 H THR A 13 4.813 16.497 7.598 1.00 0.00 H new ATOM 0 HA THR A 13 2.504 15.645 9.224 1.00 0.00 H new ATOM 0 HB THR A 13 3.076 13.330 8.495 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.703 13.309 6.139 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.507 13.344 6.553 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.917 14.345 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.649 15.116 6.474 1.00 0.00 H new ATOM 186 N PRO A 14 4.829 16.127 10.561 1.00 0.00 N ATOM 187 CA PRO A 14 6.038 16.117 11.382 1.00 0.00 C ATOM 188 C PRO A 14 6.304 14.786 12.087 1.00 0.00 C ATOM 189 O PRO A 14 7.456 14.380 12.219 1.00 0.00 O ATOM 190 CB PRO A 14 5.864 17.252 12.398 1.00 0.00 C ATOM 191 CG PRO A 14 4.935 18.226 11.680 1.00 0.00 C ATOM 192 CD PRO A 14 4.023 17.302 10.876 1.00 0.00 C ATOM 0 HA PRO A 14 6.910 16.257 10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.428 16.894 13.331 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.817 17.717 12.649 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.370 18.838 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.487 18.909 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.139 17.027 11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.673 17.792 9.967 1.00 0.00 H new ATOM 200 N GLU A 15 5.251 14.082 12.508 1.00 0.00 N ATOM 201 CA GLU A 15 5.388 12.807 13.204 1.00 0.00 C ATOM 202 C GLU A 15 5.971 11.749 12.261 1.00 0.00 C ATOM 203 O GLU A 15 6.797 10.931 12.662 1.00 0.00 O ATOM 204 CB GLU A 15 4.027 12.344 13.749 1.00 0.00 C ATOM 205 CG GLU A 15 3.428 13.283 14.809 1.00 0.00 C ATOM 206 CD GLU A 15 4.303 13.391 16.072 1.00 0.00 C ATOM 207 OE1 GLU A 15 4.322 12.441 16.889 1.00 0.00 O ATOM 208 OE2 GLU A 15 4.960 14.436 16.278 1.00 0.00 O ATOM 0 H GLU A 15 4.285 14.381 12.375 1.00 0.00 H new ATOM 0 HA GLU A 15 6.070 12.941 14.044 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.326 12.255 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.139 11.349 14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.297 14.275 14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.437 12.924 15.088 1.00 0.00 H new ATOM 215 N GLU A 16 5.584 11.787 10.985 1.00 0.00 N ATOM 216 CA GLU A 16 6.056 10.832 9.995 1.00 0.00 C ATOM 217 C GLU A 16 7.481 11.162 9.572 1.00 0.00 C ATOM 218 O GLU A 16 8.219 10.250 9.217 1.00 0.00 O ATOM 219 CB GLU A 16 5.095 10.761 8.803 1.00 0.00 C ATOM 220 CG GLU A 16 3.749 10.202 9.279 1.00 0.00 C ATOM 221 CD GLU A 16 2.767 9.945 8.122 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.014 9.041 7.292 1.00 0.00 O ATOM 223 OE2 GLU A 16 1.708 10.610 8.062 1.00 0.00 O ATOM 0 H GLU A 16 4.935 12.482 10.614 1.00 0.00 H new ATOM 0 HA GLU A 16 6.075 9.839 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.959 11.752 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.511 10.126 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.918 9.271 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.299 10.902 9.983 1.00 0.00 H new ATOM 230 N LEU A 17 7.920 12.421 9.684 1.00 0.00 N ATOM 231 CA LEU A 17 9.332 12.747 9.513 1.00 0.00 C ATOM 232 C LEU A 17 10.131 12.008 10.579 1.00 0.00 C ATOM 233 O LEU A 17 11.207 11.508 10.268 1.00 0.00 O ATOM 234 CB LEU A 17 9.618 14.258 9.619 1.00 0.00 C ATOM 235 CG LEU A 17 8.912 15.142 8.578 1.00 0.00 C ATOM 236 CD1 LEU A 17 9.194 16.621 8.866 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.371 14.823 7.156 1.00 0.00 C ATOM 0 H LEU A 17 7.321 13.221 9.890 1.00 0.00 H new ATOM 0 HA LEU A 17 9.624 12.439 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.327 14.596 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.693 14.413 9.532 1.00 0.00 H new ATOM 0 HG LEU A 17 7.844 14.937 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.690 17.239 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.825 16.875 9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.268 16.802 8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.848 15.470 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.445 14.990 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.148 13.781 6.927 1.00 0.00 H new ATOM 249 N LYS A 18 9.615 11.883 11.811 1.00 0.00 N ATOM 250 CA LYS A 18 10.347 11.180 12.867 1.00 0.00 C ATOM 251 C LYS A 18 10.360 9.687 12.568 1.00 0.00 C ATOM 252 O LYS A 18 11.428 9.077 12.565 1.00 0.00 O ATOM 253 CB LYS A 18 9.762 11.453 14.266 1.00 0.00 C ATOM 254 CG LYS A 18 9.685 12.935 14.671 1.00 0.00 C ATOM 255 CD LYS A 18 11.032 13.671 14.605 1.00 0.00 C ATOM 256 CE LYS A 18 10.858 15.110 15.110 1.00 0.00 C ATOM 257 NZ LYS A 18 12.130 15.875 15.082 1.00 0.00 N ATOM 0 H LYS A 18 8.708 12.254 12.095 1.00 0.00 H new ATOM 0 HA LYS A 18 11.369 11.559 12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.759 11.029 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.365 10.923 15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.973 13.442 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.294 13.004 15.686 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.773 13.149 15.211 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.405 13.677 13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.116 15.621 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.471 15.091 16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.962 16.840 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.832 15.404 15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.488 15.918 14.107 1.00 0.00 H new ATOM 271 N LYS A 19 9.194 9.098 12.275 1.00 0.00 N ATOM 272 CA LYS A 19 9.094 7.661 12.007 1.00 0.00 C ATOM 273 C LYS A 19 9.967 7.275 10.818 1.00 0.00 C ATOM 274 O LYS A 19 10.736 6.320 10.902 1.00 0.00 O ATOM 275 CB LYS A 19 7.634 7.257 11.745 1.00 0.00 C ATOM 276 CG LYS A 19 6.749 7.399 12.995 1.00 0.00 C ATOM 277 CD LYS A 19 5.278 7.102 12.664 1.00 0.00 C ATOM 278 CE LYS A 19 4.350 7.317 13.870 1.00 0.00 C ATOM 279 NZ LYS A 19 4.560 6.321 14.954 1.00 0.00 N ATOM 0 H LYS A 19 8.306 9.597 12.218 1.00 0.00 H new ATOM 0 HA LYS A 19 9.449 7.127 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.228 7.875 10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.603 6.224 11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.096 6.716 13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.839 8.409 13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.957 7.743 11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.187 6.072 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.510 8.319 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.314 7.268 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.906 6.518 15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.381 5.365 14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.540 6.382 15.297 1.00 0.00 H new ATOM 293 N LEU A 20 9.876 8.014 9.712 1.00 0.00 N ATOM 294 CA LEU A 20 10.593 7.667 8.494 1.00 0.00 C ATOM 295 C LEU A 20 12.077 7.993 8.642 1.00 0.00 C ATOM 296 O LEU A 20 12.896 7.224 8.144 1.00 0.00 O ATOM 297 CB LEU A 20 9.946 8.322 7.261 1.00 0.00 C ATOM 298 CG LEU A 20 8.482 7.867 7.032 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.859 8.588 5.841 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.356 6.356 6.801 1.00 0.00 C ATOM 0 H LEU A 20 9.309 8.859 9.639 1.00 0.00 H new ATOM 0 HA LEU A 20 10.521 6.592 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.970 9.406 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.537 8.083 6.377 1.00 0.00 H new ATOM 0 HG LEU A 20 7.951 8.123 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.832 8.248 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.864 9.663 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.435 8.370 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.308 6.098 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.933 6.073 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.737 5.822 7.671 1.00 0.00 H new ATOM 312 N LYS A 21 12.464 9.050 9.371 1.00 0.00 N ATOM 313 CA LYS A 21 13.879 9.249 9.707 1.00 0.00 C ATOM 314 C LYS A 21 14.401 8.077 10.536 1.00 0.00 C ATOM 315 O LYS A 21 15.535 7.663 10.317 1.00 0.00 O ATOM 316 CB LYS A 21 14.098 10.594 10.423 1.00 0.00 C ATOM 317 CG LYS A 21 15.552 10.899 10.826 1.00 0.00 C ATOM 318 CD LYS A 21 16.543 10.898 9.650 1.00 0.00 C ATOM 319 CE LYS A 21 17.909 11.417 10.120 1.00 0.00 C ATOM 320 NZ LYS A 21 18.901 11.491 9.016 1.00 0.00 N ATOM 0 H LYS A 21 11.832 9.765 9.732 1.00 0.00 H new ATOM 0 HA LYS A 21 14.451 9.284 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.744 11.394 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.479 10.614 11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.586 11.873 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.876 10.162 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.645 9.889 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.164 11.525 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.786 12.406 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.292 10.764 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.806 11.847 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.041 10.543 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.551 12.135 8.278 1.00 0.00 H new ATOM 334 N GLU A 22 13.615 7.513 11.455 1.00 0.00 N ATOM 335 CA GLU A 22 14.043 6.335 12.201 1.00 0.00 C ATOM 336 C GLU A 22 14.257 5.168 11.231 1.00 0.00 C ATOM 337 O GLU A 22 15.308 4.522 11.259 1.00 0.00 O ATOM 338 CB GLU A 22 13.043 5.999 13.320 1.00 0.00 C ATOM 339 CG GLU A 22 13.653 5.089 14.400 1.00 0.00 C ATOM 340 CD GLU A 22 14.602 5.851 15.345 1.00 0.00 C ATOM 341 OE1 GLU A 22 15.745 6.167 14.944 1.00 0.00 O ATOM 342 OE2 GLU A 22 14.215 6.125 16.504 1.00 0.00 O ATOM 0 H GLU A 22 12.684 7.853 11.697 1.00 0.00 H new ATOM 0 HA GLU A 22 14.994 6.539 12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.695 6.923 13.782 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.170 5.510 12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.852 4.635 14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.198 4.276 13.920 1.00 0.00 H new ATOM 349 N GLU A 23 13.319 4.947 10.303 1.00 0.00 N ATOM 350 CA GLU A 23 13.451 3.926 9.269 1.00 0.00 C ATOM 351 C GLU A 23 14.690 4.144 8.390 1.00 0.00 C ATOM 352 O GLU A 23 15.273 3.162 7.933 1.00 0.00 O ATOM 353 CB GLU A 23 12.185 3.812 8.406 1.00 0.00 C ATOM 354 CG GLU A 23 11.010 3.161 9.152 1.00 0.00 C ATOM 355 CD GLU A 23 9.756 2.990 8.271 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.872 2.691 7.060 1.00 0.00 O ATOM 357 OE2 GLU A 23 8.630 3.109 8.809 1.00 0.00 O ATOM 0 H GLU A 23 12.447 5.474 10.252 1.00 0.00 H new ATOM 0 HA GLU A 23 13.583 2.980 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.890 4.806 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.411 3.228 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.320 2.185 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.757 3.769 10.020 1.00 0.00 H new ATOM 364 N ALA A 24 15.155 5.385 8.208 1.00 0.00 N ATOM 365 CA ALA A 24 16.376 5.680 7.459 1.00 0.00 C ATOM 366 C ALA A 24 17.625 5.041 8.083 1.00 0.00 C ATOM 367 O ALA A 24 18.623 4.865 7.381 1.00 0.00 O ATOM 368 CB ALA A 24 16.581 7.193 7.330 1.00 0.00 C ATOM 0 H ALA A 24 14.691 6.214 8.579 1.00 0.00 H new ATOM 0 HA ALA A 24 16.243 5.242 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.495 7.390 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.732 7.632 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.662 7.635 8.323 1.00 0.00 H new ATOM 374 N LYS A 25 17.590 4.698 9.380 1.00 0.00 N ATOM 375 CA LYS A 25 18.635 3.895 10.017 1.00 0.00 C ATOM 376 C LYS A 25 18.177 2.444 10.167 1.00 0.00 C ATOM 377 O LYS A 25 19.014 1.545 10.094 1.00 0.00 O ATOM 378 CB LYS A 25 19.030 4.443 11.400 1.00 0.00 C ATOM 379 CG LYS A 25 19.724 5.821 11.403 1.00 0.00 C ATOM 380 CD LYS A 25 18.807 7.056 11.307 1.00 0.00 C ATOM 381 CE LYS A 25 17.648 7.056 12.316 1.00 0.00 C ATOM 382 NZ LYS A 25 18.075 7.021 13.737 1.00 0.00 N ATOM 0 H LYS A 25 16.837 4.971 10.012 1.00 0.00 H new ATOM 0 HA LYS A 25 19.509 3.946 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.132 4.508 12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.692 3.723 11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.313 5.904 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.425 5.851 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.407 7.953 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.397 7.113 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.040 7.946 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.010 6.194 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.237 6.955 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.686 6.195 13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.601 7.889 13.963 1.00 0.00 H new ATOM 396 N LYS A 26 16.877 2.195 10.385 1.00 0.00 N ATOM 397 CA LYS A 26 16.381 0.837 10.626 1.00 0.00 C ATOM 398 C LYS A 26 16.518 -0.031 9.370 1.00 0.00 C ATOM 399 O LYS A 26 16.684 -1.246 9.485 1.00 0.00 O ATOM 400 CB LYS A 26 14.921 0.892 11.110 1.00 0.00 C ATOM 401 CG LYS A 26 14.492 -0.393 11.836 1.00 0.00 C ATOM 402 CD LYS A 26 13.050 -0.277 12.348 1.00 0.00 C ATOM 403 CE LYS A 26 12.644 -1.571 13.069 1.00 0.00 C ATOM 404 NZ LYS A 26 11.255 -1.512 13.590 1.00 0.00 N ATOM 0 H LYS A 26 16.155 2.915 10.399 1.00 0.00 H new ATOM 0 HA LYS A 26 16.988 0.376 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.796 1.743 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.265 1.059 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.574 -1.243 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.165 -0.585 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.964 0.571 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.373 -0.087 11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.737 -2.412 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.332 -1.756 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.025 -2.406 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.171 -0.726 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.594 -1.362 12.801 1.00 0.00 H new ATOM 418 N ALA A 27 16.453 0.579 8.186 1.00 0.00 N ATOM 419 CA ALA A 27 16.440 -0.079 6.889 1.00 0.00 C ATOM 420 C ALA A 27 17.291 0.721 5.892 1.00 0.00 C ATOM 421 O ALA A 27 17.856 1.762 6.231 1.00 0.00 O ATOM 422 CB ALA A 27 14.981 -0.202 6.430 1.00 0.00 C ATOM 0 H ALA A 27 16.406 1.595 8.107 1.00 0.00 H new ATOM 0 HA ALA A 27 16.873 -1.077 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.946 -0.693 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.420 -0.792 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.540 0.791 6.351 1.00 0.00 H new ATOM 428 N ASN A 28 17.379 0.236 4.650 1.00 0.00 N ATOM 429 CA ASN A 28 18.247 0.776 3.597 1.00 0.00 C ATOM 430 C ASN A 28 17.528 1.829 2.738 1.00 0.00 C ATOM 431 O ASN A 28 17.975 2.170 1.642 1.00 0.00 O ATOM 432 CB ASN A 28 18.699 -0.395 2.713 1.00 0.00 C ATOM 433 CG ASN A 28 19.825 -0.021 1.748 1.00 0.00 C ATOM 434 OD1 ASN A 28 20.752 0.706 2.096 1.00 0.00 O ATOM 435 ND2 ASN A 28 19.793 -0.533 0.526 1.00 0.00 N ATOM 0 H ASN A 28 16.832 -0.567 4.339 1.00 0.00 H new ATOM 0 HA ASN A 28 19.099 1.273 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.032 -1.215 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.846 -0.761 2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.542 -0.324 -0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 28 19.019 -1.136 0.246 1.00 0.00 H new ATOM 442 N ILE A 29 16.353 2.276 3.180 1.00 0.00 N ATOM 443 CA ILE A 29 15.455 3.129 2.413 1.00 0.00 C ATOM 444 C ILE A 29 16.096 4.484 2.069 1.00 0.00 C ATOM 445 O ILE A 29 16.983 4.967 2.780 1.00 0.00 O ATOM 446 CB ILE A 29 14.118 3.276 3.168 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.281 3.903 4.567 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.419 1.915 3.317 1.00 0.00 C ATOM 449 CD1 ILE A 29 12.980 4.493 5.117 1.00 0.00 C ATOM 0 H ILE A 29 15.993 2.047 4.106 1.00 0.00 H new ATOM 0 HA ILE A 29 15.253 2.655 1.452 1.00 0.00 H new ATOM 0 HB ILE A 29 13.510 3.950 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 29 14.649 3.144 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.037 4.687 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.479 2.046 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.219 1.498 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.063 1.235 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.162 4.918 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.622 5.274 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.228 3.708 5.194 1.00 0.00 H new ATOM 461 N ARG A 30 15.606 5.121 1.000 1.00 0.00 N ATOM 462 CA ARG A 30 16.106 6.408 0.517 1.00 0.00 C ATOM 463 C ARG A 30 15.092 7.493 0.840 1.00 0.00 C ATOM 464 O ARG A 30 14.329 7.948 -0.018 1.00 0.00 O ATOM 465 CB ARG A 30 16.528 6.350 -0.963 1.00 0.00 C ATOM 466 CG ARG A 30 15.454 5.824 -1.940 1.00 0.00 C ATOM 467 CD ARG A 30 15.506 6.562 -3.281 1.00 0.00 C ATOM 468 NE ARG A 30 15.056 7.961 -3.144 1.00 0.00 N ATOM 469 CZ ARG A 30 14.944 8.842 -4.146 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.258 8.497 -5.392 1.00 0.00 N ATOM 471 NH2 ARG A 30 14.518 10.075 -3.893 1.00 0.00 N ATOM 0 H ARG A 30 14.839 4.749 0.439 1.00 0.00 H new ATOM 0 HA ARG A 30 17.027 6.663 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.822 7.351 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.411 5.717 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.602 4.757 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.466 5.944 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.524 6.542 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.878 6.046 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 30 14.810 8.283 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.588 7.553 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.169 9.177 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.278 10.346 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.431 10.750 -4.652 1.00 0.00 H new ATOM 485 N VAL A 31 15.054 7.856 2.120 1.00 0.00 N ATOM 486 CA VAL A 31 14.174 8.905 2.611 1.00 0.00 C ATOM 487 C VAL A 31 14.398 10.196 1.813 1.00 0.00 C ATOM 488 O VAL A 31 15.529 10.548 1.469 1.00 0.00 O ATOM 489 CB VAL A 31 14.318 9.104 4.134 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.847 7.849 4.879 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.742 9.458 4.594 1.00 0.00 C ATOM 0 H VAL A 31 15.633 7.429 2.843 1.00 0.00 H new ATOM 0 HA VAL A 31 13.140 8.600 2.452 1.00 0.00 H new ATOM 0 HB VAL A 31 13.690 9.961 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.954 8.002 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.801 7.656 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.452 6.995 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.755 9.580 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.425 8.657 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.057 10.388 4.120 1.00 0.00 H new ATOM 501 N THR A 32 13.298 10.880 1.507 1.00 0.00 N ATOM 502 CA THR A 32 13.250 12.083 0.691 1.00 0.00 C ATOM 503 C THR A 32 12.174 12.950 1.347 1.00 0.00 C ATOM 504 O THR A 32 11.033 12.508 1.492 1.00 0.00 O ATOM 505 CB THR A 32 12.909 11.701 -0.764 1.00 0.00 C ATOM 506 OG1 THR A 32 13.713 10.624 -1.228 1.00 0.00 O ATOM 507 CG2 THR A 32 13.126 12.871 -1.725 1.00 0.00 C ATOM 0 H THR A 32 12.376 10.595 1.838 1.00 0.00 H new ATOM 0 HA THR A 32 14.196 12.622 0.642 1.00 0.00 H new ATOM 0 HB THR A 32 11.858 11.412 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.656 10.817 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.875 12.560 -2.739 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.488 13.705 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.170 13.182 -1.689 1.00 0.00 H new ATOM 515 N PHE A 33 12.539 14.148 1.800 1.00 0.00 N ATOM 516 CA PHE A 33 11.682 14.979 2.636 1.00 0.00 C ATOM 517 C PHE A 33 11.318 16.241 1.856 1.00 0.00 C ATOM 518 O PHE A 33 12.186 17.073 1.577 1.00 0.00 O ATOM 519 CB PHE A 33 12.417 15.290 3.952 1.00 0.00 C ATOM 520 CG PHE A 33 12.818 14.079 4.788 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.827 13.238 5.322 1.00 0.00 C ATOM 522 CD2 PHE A 33 14.170 13.814 5.087 1.00 0.00 C ATOM 523 CE1 PHE A 33 12.157 12.184 6.188 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.511 12.736 5.929 1.00 0.00 C ATOM 525 CZ PHE A 33 13.505 11.931 6.493 1.00 0.00 C ATOM 0 H PHE A 33 13.445 14.570 1.594 1.00 0.00 H new ATOM 0 HA PHE A 33 10.755 14.466 2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.316 15.861 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.780 15.933 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.792 13.406 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.946 14.438 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.379 11.571 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.549 12.527 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.768 11.122 7.158 1.00 0.00 H new ATOM 535 N TRP A 34 10.047 16.371 1.467 1.00 0.00 N ATOM 536 CA TRP A 34 9.535 17.563 0.800 1.00 0.00 C ATOM 537 C TRP A 34 9.249 18.657 1.829 1.00 0.00 C ATOM 538 O TRP A 34 8.915 18.373 2.981 1.00 0.00 O ATOM 539 CB TRP A 34 8.261 17.220 0.006 1.00 0.00 C ATOM 540 CG TRP A 34 8.531 16.611 -1.337 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.478 17.281 -2.509 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.926 15.247 -1.683 1.00 0.00 C ATOM 543 NE1 TRP A 34 8.866 16.453 -3.543 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.164 15.186 -3.091 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.118 14.054 -0.954 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.598 14.014 -3.732 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.552 12.876 -1.586 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.794 12.851 -2.970 1.00 0.00 C ATOM 0 H TRP A 34 9.343 15.646 1.608 1.00 0.00 H new ATOM 0 HA TRP A 34 10.288 17.931 0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.654 16.530 0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.673 18.128 -0.129 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.177 18.312 -2.620 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.925 16.743 -4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.928 14.046 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.779 14.007 -4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.701 11.980 -1.002 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.129 11.941 -3.446 1.00 0.00 H new ATOM 559 N GLY A 35 9.289 19.914 1.383 1.00 0.00 N ATOM 560 CA GLY A 35 8.837 21.073 2.148 1.00 0.00 C ATOM 561 C GLY A 35 7.335 21.279 1.928 1.00 0.00 C ATOM 562 O GLY A 35 6.892 22.406 1.697 1.00 0.00 O ATOM 0 H GLY A 35 9.645 20.158 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.043 20.925 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.386 21.962 1.838 1.00 0.00 H new ATOM 566 N ASP A 36 6.575 20.178 1.888 1.00 0.00 N ATOM 567 CA ASP A 36 5.151 20.151 1.564 1.00 0.00 C ATOM 568 C ASP A 36 4.349 21.030 2.524 1.00 0.00 C ATOM 569 O ASP A 36 3.495 21.805 2.047 1.00 0.00 O ATOM 570 CB ASP A 36 4.614 18.718 1.591 1.00 0.00 C ATOM 571 CG ASP A 36 3.087 18.714 1.417 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.603 18.976 0.292 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.367 18.414 2.395 1.00 0.00 O ATOM 574 OXT ASP A 36 4.586 20.962 3.748 1.00 0.00 O ATOM 0 H ASP A 36 6.951 19.251 2.088 1.00 0.00 H new ATOM 0 HA ASP A 36 5.035 20.549 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.078 18.134 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.880 18.241 2.534 1.00 0.00 H new