USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 508 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 Set 1.1: A 53 SER OG : rot 180:sc= 1.08 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 1.04 USER MOD Set 2.1: A 37 SER OG : rot -169:sc= 1.02 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.716 K(o=1.7,f=0.17) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0.203 USER MOD Set 3.2: A 16 SER OG : rot 96:sc= 0.141 USER MOD Set 4.1: A 3 GLN : amide:sc=-0.00763 K(o=-0.0076,f=-1.8) USER MOD Set 4.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.269 USER MOD Single : A 5 THR OG1 : rot -160:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.097 (180deg=-0.097) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00246 X(o=-0.0025,f=-0.0025) USER MOD Single : A 17 CYS SG : rot -99:sc= 0.141 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -86:sc= 0.537 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.106) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.0886 (180deg=-0.144) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -14:sc= 0.784 USER MOD Single : A 42 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 64 MET CE :methyl -167:sc= 0 (180deg=-0.265) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00854 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.009 -15.178 -3.372 1.00 0.00 N ATOM 23 CA THR A 2 5.499 -13.816 -3.528 1.00 0.00 C ATOM 24 C THR A 2 4.739 -13.144 -4.673 1.00 0.00 C ATOM 25 O THR A 2 4.703 -13.683 -5.779 1.00 0.00 O ATOM 26 CB THR A 2 7.009 -13.825 -3.816 1.00 0.00 C ATOM 27 OG1 THR A 2 7.291 -14.636 -4.940 1.00 0.00 O ATOM 28 CG2 THR A 2 7.820 -14.334 -2.621 1.00 0.00 C ATOM 0 HA THR A 2 5.333 -13.258 -2.607 1.00 0.00 H new ATOM 0 HB THR A 2 7.299 -12.793 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.566 -14.552 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.881 -14.323 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.643 -13.690 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.514 -15.352 -2.381 1.00 0.00 H new ATOM 36 N GLN A 3 4.150 -11.972 -4.411 1.00 0.00 N ATOM 37 CA GLN A 3 3.494 -11.134 -5.408 1.00 0.00 C ATOM 38 C GLN A 3 3.779 -9.664 -5.097 1.00 0.00 C ATOM 39 O GLN A 3 4.335 -9.344 -4.048 1.00 0.00 O ATOM 40 CB GLN A 3 1.981 -11.400 -5.414 1.00 0.00 C ATOM 41 CG GLN A 3 1.618 -12.730 -6.083 1.00 0.00 C ATOM 42 CD GLN A 3 0.112 -12.858 -6.310 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.545 -13.698 -5.703 1.00 0.00 O ATOM 44 NE2 GLN A 3 -0.443 -12.025 -7.193 1.00 0.00 N ATOM 0 H GLN A 3 4.118 -11.574 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 3 3.885 -11.373 -6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.612 -11.401 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.475 -10.586 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.138 -12.811 -7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.964 -13.556 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.134 -11.339 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.444 -12.075 -7.381 1.00 0.00 H new ATOM 53 N GLU A 4 3.391 -8.773 -6.017 1.00 0.00 N ATOM 54 CA GLU A 4 3.471 -7.331 -5.847 1.00 0.00 C ATOM 55 C GLU A 4 2.213 -6.697 -6.435 1.00 0.00 C ATOM 56 O GLU A 4 1.717 -7.154 -7.464 1.00 0.00 O ATOM 57 CB GLU A 4 4.754 -6.794 -6.497 1.00 0.00 C ATOM 58 CG GLU A 4 4.940 -5.291 -6.248 1.00 0.00 C ATOM 59 CD GLU A 4 6.282 -4.798 -6.778 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.271 -4.920 -6.022 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.295 -4.307 -7.927 1.00 0.00 O ATOM 0 H GLU A 4 3.004 -9.049 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 4 3.521 -7.072 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.614 -7.336 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.723 -6.982 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.133 -4.739 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.873 -5.087 -5.179 1.00 0.00 H new ATOM 68 N THR A 5 1.701 -5.656 -5.767 1.00 0.00 N ATOM 69 CA THR A 5 0.498 -4.937 -6.159 1.00 0.00 C ATOM 70 C THR A 5 0.766 -3.433 -6.145 1.00 0.00 C ATOM 71 O THR A 5 1.419 -2.922 -5.235 1.00 0.00 O ATOM 72 CB THR A 5 -0.680 -5.330 -5.252 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.839 -4.635 -5.661 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.430 -5.057 -3.763 1.00 0.00 C ATOM 0 H THR A 5 2.128 -5.286 -4.918 1.00 0.00 H new ATOM 0 HA THR A 5 0.221 -5.212 -7.177 1.00 0.00 H new ATOM 0 HB THR A 5 -0.806 -6.408 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.490 -4.625 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.304 -5.359 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.439 -5.625 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.247 -3.993 -3.614 1.00 0.00 H new ATOM 82 N VAL A 6 0.251 -2.740 -7.168 1.00 0.00 N ATOM 83 CA VAL A 6 0.287 -1.293 -7.301 1.00 0.00 C ATOM 84 C VAL A 6 -1.127 -0.791 -7.014 1.00 0.00 C ATOM 85 O VAL A 6 -2.002 -0.865 -7.876 1.00 0.00 O ATOM 86 CB VAL A 6 0.782 -0.900 -8.704 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.798 0.627 -8.865 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.198 -1.436 -8.953 1.00 0.00 C ATOM 0 H VAL A 6 -0.218 -3.196 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 6 0.985 -0.836 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 6 0.095 -1.338 -9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.151 0.884 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.210 1.018 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.464 1.064 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.527 -1.146 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.880 -1.020 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.195 -2.523 -8.874 1.00 0.00 H new ATOM 98 N ILE A 7 -1.341 -0.292 -5.793 1.00 0.00 N ATOM 99 CA ILE A 7 -2.623 0.214 -5.329 1.00 0.00 C ATOM 100 C ILE A 7 -2.569 1.735 -5.443 1.00 0.00 C ATOM 101 O ILE A 7 -1.780 2.368 -4.750 1.00 0.00 O ATOM 102 CB ILE A 7 -2.876 -0.254 -3.879 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.849 -1.794 -3.811 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.220 0.282 -3.358 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.092 -2.345 -2.403 1.00 0.00 C ATOM 0 H ILE A 7 -0.606 -0.230 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.451 -0.166 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.084 0.143 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.607 -2.193 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.883 -2.149 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.376 -0.061 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.210 1.372 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.028 -0.085 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.060 -3.434 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.320 -1.974 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.070 -2.019 -2.049 1.00 0.00 H new ATOM 117 N ASN A 8 -3.402 2.325 -6.307 1.00 0.00 N ATOM 118 CA ASN A 8 -3.556 3.770 -6.408 1.00 0.00 C ATOM 119 C ASN A 8 -4.198 4.288 -5.122 1.00 0.00 C ATOM 120 O ASN A 8 -5.265 3.814 -4.738 1.00 0.00 O ATOM 121 CB ASN A 8 -4.429 4.129 -7.617 1.00 0.00 C ATOM 122 CG ASN A 8 -3.799 3.740 -8.953 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.582 3.607 -9.068 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.637 3.553 -9.974 1.00 0.00 N ATOM 0 H ASN A 8 -3.990 1.805 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.579 4.233 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.394 3.632 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.621 5.202 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.274 3.290 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.641 3.673 -9.838 1.00 0.00 H new ATOM 131 N ILE A 9 -3.539 5.254 -4.469 1.00 0.00 N ATOM 132 CA ILE A 9 -3.986 5.880 -3.234 1.00 0.00 C ATOM 133 C ILE A 9 -4.298 7.334 -3.569 1.00 0.00 C ATOM 134 O ILE A 9 -3.392 8.159 -3.679 1.00 0.00 O ATOM 135 CB ILE A 9 -2.917 5.764 -2.129 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.481 4.301 -1.944 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.496 6.335 -0.825 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.475 4.110 -0.807 1.00 0.00 C ATOM 0 H ILE A 9 -2.651 5.628 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.872 5.381 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.031 6.332 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.361 3.689 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.042 3.939 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.751 6.260 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.764 7.381 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.384 5.769 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.209 3.056 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.579 4.696 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.919 4.442 0.131 1.00 0.00 H new ATOM 150 N ASP A 10 -5.586 7.639 -3.737 1.00 0.00 N ATOM 151 CA ASP A 10 -6.057 8.952 -4.140 1.00 0.00 C ATOM 152 C ASP A 10 -6.537 9.721 -2.909 1.00 0.00 C ATOM 153 O ASP A 10 -7.060 9.135 -1.961 1.00 0.00 O ATOM 154 CB ASP A 10 -7.165 8.794 -5.188 1.00 0.00 C ATOM 155 CG ASP A 10 -6.674 8.008 -6.403 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.056 8.647 -7.282 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.920 6.782 -6.430 1.00 0.00 O ATOM 0 H ASP A 10 -6.338 6.965 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.248 9.525 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.019 8.283 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.512 9.778 -5.505 1.00 0.00 H new ATOM 162 N GLY A 11 -6.340 11.043 -2.935 1.00 0.00 N ATOM 163 CA GLY A 11 -6.719 11.948 -1.861 1.00 0.00 C ATOM 164 C GLY A 11 -5.648 12.062 -0.775 1.00 0.00 C ATOM 165 O GLY A 11 -5.983 12.356 0.371 1.00 0.00 O ATOM 0 H GLY A 11 -5.902 11.518 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.914 12.936 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.650 11.602 -1.412 1.00 0.00 H new ATOM 169 N MET A 12 -4.369 11.854 -1.121 1.00 0.00 N ATOM 170 CA MET A 12 -3.258 12.138 -0.221 1.00 0.00 C ATOM 171 C MET A 12 -2.958 13.636 -0.261 1.00 0.00 C ATOM 172 O MET A 12 -2.917 14.235 -1.334 1.00 0.00 O ATOM 173 CB MET A 12 -2.013 11.325 -0.597 1.00 0.00 C ATOM 174 CG MET A 12 -2.238 9.826 -0.376 1.00 0.00 C ATOM 175 SD MET A 12 -0.734 8.813 -0.341 1.00 0.00 S ATOM 176 CE MET A 12 -0.225 8.922 -2.071 1.00 0.00 C ATOM 0 H MET A 12 -4.084 11.486 -2.029 1.00 0.00 H new ATOM 0 HA MET A 12 -3.538 11.847 0.791 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.760 11.507 -1.641 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.164 11.659 -0.000 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.770 9.690 0.566 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.889 9.453 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.691 8.349 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.012 8.518 -2.708 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.046 9.965 -2.333 1.00 0.00 H new ATOM 186 N THR A 13 -2.754 14.232 0.917 1.00 0.00 N ATOM 187 CA THR A 13 -2.575 15.666 1.083 1.00 0.00 C ATOM 188 C THR A 13 -1.115 16.048 0.836 1.00 0.00 C ATOM 189 O THR A 13 -0.844 16.999 0.106 1.00 0.00 O ATOM 190 CB THR A 13 -3.023 16.066 2.498 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.340 15.603 2.721 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.991 17.585 2.694 1.00 0.00 C ATOM 0 H THR A 13 -2.709 13.716 1.796 1.00 0.00 H new ATOM 0 HA THR A 13 -3.184 16.203 0.356 1.00 0.00 H new ATOM 0 HB THR A 13 -2.330 15.614 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.627 15.855 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.314 17.828 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.976 17.950 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.660 18.059 1.976 1.00 0.00 H new ATOM 200 N CYS A 14 -0.179 15.315 1.452 1.00 0.00 N ATOM 201 CA CYS A 14 1.246 15.622 1.401 1.00 0.00 C ATOM 202 C CYS A 14 2.055 14.377 1.785 1.00 0.00 C ATOM 203 O CYS A 14 1.488 13.318 2.053 1.00 0.00 O ATOM 204 CB CYS A 14 1.553 16.806 2.334 1.00 0.00 C ATOM 205 SG CYS A 14 1.413 16.353 4.076 1.00 0.00 S ATOM 0 H CYS A 14 -0.397 14.485 2.004 1.00 0.00 H new ATOM 0 HA CYS A 14 1.530 15.909 0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.560 17.172 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.868 17.625 2.117 1.00 0.00 H new ATOM 0 HG CYS A 14 1.684 17.387 4.816 1.00 0.00 H new ATOM 210 N ASN A 15 3.386 14.513 1.816 1.00 0.00 N ATOM 211 CA ASN A 15 4.325 13.426 2.079 1.00 0.00 C ATOM 212 C ASN A 15 4.144 12.789 3.461 1.00 0.00 C ATOM 213 O ASN A 15 4.531 11.638 3.649 1.00 0.00 O ATOM 214 CB ASN A 15 5.761 13.931 1.902 1.00 0.00 C ATOM 215 CG ASN A 15 6.013 14.412 0.475 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.003 15.611 0.211 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.232 13.476 -0.452 1.00 0.00 N ATOM 0 H ASN A 15 3.848 15.408 1.654 1.00 0.00 H new ATOM 0 HA ASN A 15 4.115 12.639 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.950 14.746 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.461 13.133 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.399 13.747 -1.421 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.232 12.490 -0.191 1.00 0.00 H new ATOM 224 N SER A 16 3.559 13.508 4.426 1.00 0.00 N ATOM 225 CA SER A 16 3.226 12.963 5.737 1.00 0.00 C ATOM 226 C SER A 16 2.300 11.748 5.615 1.00 0.00 C ATOM 227 O SER A 16 2.450 10.784 6.365 1.00 0.00 O ATOM 228 CB SER A 16 2.580 14.046 6.604 1.00 0.00 C ATOM 229 OG SER A 16 3.411 15.187 6.649 1.00 0.00 O ATOM 0 H SER A 16 3.304 14.489 4.314 1.00 0.00 H new ATOM 0 HA SER A 16 4.148 12.630 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.603 14.313 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.415 13.666 7.612 1.00 0.00 H new ATOM 0 HG SER A 16 3.119 15.832 5.971 1.00 0.00 H new ATOM 235 N CYS A 17 1.352 11.786 4.667 1.00 0.00 N ATOM 236 CA CYS A 17 0.452 10.670 4.409 1.00 0.00 C ATOM 237 C CYS A 17 1.251 9.465 3.921 1.00 0.00 C ATOM 238 O CYS A 17 1.118 8.381 4.477 1.00 0.00 O ATOM 239 CB CYS A 17 -0.614 11.053 3.380 1.00 0.00 C ATOM 240 SG CYS A 17 -1.662 12.456 3.832 1.00 0.00 S ATOM 0 H CYS A 17 1.194 12.593 4.063 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.055 10.411 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.118 11.281 2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.252 10.187 3.204 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.792 12.019 4.303 1.00 0.00 H new ATOM 245 N VAL A 18 2.088 9.664 2.895 1.00 0.00 N ATOM 246 CA VAL A 18 2.967 8.643 2.335 1.00 0.00 C ATOM 247 C VAL A 18 3.798 7.984 3.440 1.00 0.00 C ATOM 248 O VAL A 18 3.850 6.758 3.526 1.00 0.00 O ATOM 249 CB VAL A 18 3.849 9.282 1.246 1.00 0.00 C ATOM 250 CG1 VAL A 18 4.970 8.357 0.762 1.00 0.00 C ATOM 251 CG2 VAL A 18 2.982 9.674 0.045 1.00 0.00 C ATOM 0 H VAL A 18 2.171 10.564 2.423 1.00 0.00 H new ATOM 0 HA VAL A 18 2.375 7.852 1.875 1.00 0.00 H new ATOM 0 HB VAL A 18 4.316 10.158 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.555 8.865 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.616 8.099 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.537 7.448 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.609 10.126 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.496 8.786 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.224 10.390 0.362 1.00 0.00 H new ATOM 261 N GLN A 19 4.432 8.805 4.284 1.00 0.00 N ATOM 262 CA GLN A 19 5.247 8.363 5.405 1.00 0.00 C ATOM 263 C GLN A 19 4.433 7.491 6.365 1.00 0.00 C ATOM 264 O GLN A 19 4.898 6.425 6.759 1.00 0.00 O ATOM 265 CB GLN A 19 5.836 9.593 6.108 1.00 0.00 C ATOM 266 CG GLN A 19 6.813 9.207 7.225 1.00 0.00 C ATOM 267 CD GLN A 19 7.413 10.446 7.884 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.082 10.771 9.022 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.301 11.143 7.172 1.00 0.00 N ATOM 0 H GLN A 19 4.387 9.820 4.198 1.00 0.00 H new ATOM 0 HA GLN A 19 6.066 7.743 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.350 10.216 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.027 10.193 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.295 8.608 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.611 8.587 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.550 10.841 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.731 11.978 7.570 1.00 0.00 H new ATOM 278 N SER A 20 3.228 7.940 6.738 1.00 0.00 N ATOM 279 CA SER A 20 2.349 7.220 7.651 1.00 0.00 C ATOM 280 C SER A 20 1.941 5.861 7.071 1.00 0.00 C ATOM 281 O SER A 20 2.102 4.837 7.732 1.00 0.00 O ATOM 282 CB SER A 20 1.125 8.086 7.972 1.00 0.00 C ATOM 283 OG SER A 20 0.285 7.429 8.897 1.00 0.00 O ATOM 0 H SER A 20 2.837 8.823 6.408 1.00 0.00 H new ATOM 0 HA SER A 20 2.887 7.019 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.447 9.044 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.572 8.299 7.057 1.00 0.00 H new ATOM 0 HG SER A 20 -0.491 7.995 9.093 1.00 0.00 H new ATOM 289 N ILE A 21 1.420 5.860 5.838 1.00 0.00 N ATOM 290 CA ILE A 21 0.959 4.674 5.127 1.00 0.00 C ATOM 291 C ILE A 21 2.081 3.636 5.073 1.00 0.00 C ATOM 292 O ILE A 21 1.897 2.505 5.519 1.00 0.00 O ATOM 293 CB ILE A 21 0.471 5.070 3.717 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.801 5.936 3.800 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.185 3.831 2.854 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.014 6.744 2.516 1.00 0.00 C ATOM 0 H ILE A 21 1.306 6.716 5.295 1.00 0.00 H new ATOM 0 HA ILE A 21 0.118 4.225 5.655 1.00 0.00 H new ATOM 0 HB ILE A 21 1.270 5.646 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.666 5.297 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.726 6.614 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.157 4.145 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.096 3.241 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.587 3.227 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.920 7.343 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.159 7.401 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.115 6.064 1.670 1.00 0.00 H new ATOM 308 N GLU A 22 3.239 4.030 4.531 1.00 0.00 N ATOM 309 CA GLU A 22 4.399 3.163 4.401 1.00 0.00 C ATOM 310 C GLU A 22 4.848 2.657 5.773 1.00 0.00 C ATOM 311 O GLU A 22 5.090 1.464 5.941 1.00 0.00 O ATOM 312 CB GLU A 22 5.516 3.917 3.668 1.00 0.00 C ATOM 313 CG GLU A 22 6.675 2.983 3.308 1.00 0.00 C ATOM 314 CD GLU A 22 7.638 3.649 2.330 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.346 3.592 1.116 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.646 4.208 2.814 1.00 0.00 O ATOM 0 H GLU A 22 3.391 4.971 4.169 1.00 0.00 H new ATOM 0 HA GLU A 22 4.139 2.284 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.117 4.371 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.882 4.729 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.211 2.699 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.283 2.066 2.869 1.00 0.00 H new ATOM 323 N GLY A 23 4.942 3.568 6.749 1.00 0.00 N ATOM 324 CA GLY A 23 5.325 3.281 8.121 1.00 0.00 C ATOM 325 C GLY A 23 4.496 2.150 8.726 1.00 0.00 C ATOM 326 O GLY A 23 5.058 1.225 9.304 1.00 0.00 O ATOM 0 H GLY A 23 4.745 4.556 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.381 3.013 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.206 4.180 8.725 1.00 0.00 H new ATOM 330 N VAL A 24 3.167 2.216 8.588 1.00 0.00 N ATOM 331 CA VAL A 24 2.264 1.187 9.085 1.00 0.00 C ATOM 332 C VAL A 24 2.460 -0.112 8.301 1.00 0.00 C ATOM 333 O VAL A 24 2.835 -1.132 8.878 1.00 0.00 O ATOM 334 CB VAL A 24 0.806 1.689 9.016 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.203 0.561 9.284 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.580 2.802 10.047 1.00 0.00 C ATOM 0 H VAL A 24 2.691 2.991 8.125 1.00 0.00 H new ATOM 0 HA VAL A 24 2.492 0.975 10.129 1.00 0.00 H new ATOM 0 HB VAL A 24 0.647 2.067 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.216 0.958 9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.077 -0.224 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.032 0.148 10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.452 3.148 9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.778 2.417 11.047 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.254 3.633 9.839 1.00 0.00 H new ATOM 346 N ILE A 25 2.190 -0.071 6.990 1.00 0.00 N ATOM 347 CA ILE A 25 2.103 -1.251 6.139 1.00 0.00 C ATOM 348 C ILE A 25 3.406 -2.060 6.139 1.00 0.00 C ATOM 349 O ILE A 25 3.348 -3.288 6.157 1.00 0.00 O ATOM 350 CB ILE A 25 1.614 -0.856 4.732 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.181 -0.293 4.826 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.621 -2.067 3.788 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.361 0.199 3.481 1.00 0.00 C ATOM 0 H ILE A 25 2.024 0.801 6.488 1.00 0.00 H new ATOM 0 HA ILE A 25 1.357 -1.929 6.554 1.00 0.00 H new ATOM 0 HB ILE A 25 2.289 -0.100 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.481 -1.065 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.167 0.531 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.272 -1.762 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.634 -2.460 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.962 -2.840 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.372 0.583 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.281 0.993 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.378 -0.628 2.771 1.00 0.00 H new ATOM 365 N SER A 26 4.568 -1.393 6.138 1.00 0.00 N ATOM 366 CA SER A 26 5.878 -2.040 6.174 1.00 0.00 C ATOM 367 C SER A 26 6.002 -3.091 7.284 1.00 0.00 C ATOM 368 O SER A 26 6.690 -4.092 7.095 1.00 0.00 O ATOM 369 CB SER A 26 6.984 -0.987 6.313 1.00 0.00 C ATOM 370 OG SER A 26 6.813 -0.222 7.487 1.00 0.00 O ATOM 0 H SER A 26 4.621 -0.375 6.112 1.00 0.00 H new ATOM 0 HA SER A 26 5.991 -2.571 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.957 -1.478 6.334 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.977 -0.330 5.443 1.00 0.00 H new ATOM 0 HG SER A 26 6.211 0.529 7.303 1.00 0.00 H new ATOM 376 N LYS A 27 5.345 -2.870 8.430 1.00 0.00 N ATOM 377 CA LYS A 27 5.449 -3.735 9.600 1.00 0.00 C ATOM 378 C LYS A 27 4.407 -4.858 9.587 1.00 0.00 C ATOM 379 O LYS A 27 4.540 -5.808 10.356 1.00 0.00 O ATOM 380 CB LYS A 27 5.299 -2.898 10.880 1.00 0.00 C ATOM 381 CG LYS A 27 6.181 -1.643 10.919 1.00 0.00 C ATOM 382 CD LYS A 27 7.678 -1.948 10.781 1.00 0.00 C ATOM 383 CE LYS A 27 8.506 -0.658 10.774 1.00 0.00 C ATOM 384 NZ LYS A 27 8.421 0.065 12.054 1.00 0.00 N ATOM 0 H LYS A 27 4.721 -2.075 8.567 1.00 0.00 H new ATOM 0 HA LYS A 27 6.433 -4.204 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.256 -2.599 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.539 -3.524 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.879 -0.970 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.010 -1.116 11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.000 -2.586 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.856 -2.503 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.548 -0.898 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.159 -0.010 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.110 0.844 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.462 0.450 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.630 -0.588 12.836 1.00 0.00 H new ATOM 398 N LYS A 28 3.371 -4.765 8.741 1.00 0.00 N ATOM 399 CA LYS A 28 2.286 -5.738 8.727 1.00 0.00 C ATOM 400 C LYS A 28 2.767 -7.077 8.153 1.00 0.00 C ATOM 401 O LYS A 28 3.587 -7.091 7.233 1.00 0.00 O ATOM 402 CB LYS A 28 1.087 -5.190 7.942 1.00 0.00 C ATOM 403 CG LYS A 28 0.493 -3.964 8.650 1.00 0.00 C ATOM 404 CD LYS A 28 -0.794 -3.464 7.983 1.00 0.00 C ATOM 405 CE LYS A 28 -1.966 -4.416 8.235 1.00 0.00 C ATOM 406 NZ LYS A 28 -3.226 -3.862 7.719 1.00 0.00 N ATOM 0 H LYS A 28 3.268 -4.017 8.055 1.00 0.00 H new ATOM 0 HA LYS A 28 1.962 -5.916 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.399 -4.919 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.326 -5.964 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.285 -4.215 9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.230 -3.161 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.041 -2.473 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.632 -3.361 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.766 -5.376 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.060 -4.605 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.028 -4.322 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.256 -2.839 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.286 -4.032 6.695 1.00 0.00 H new ATOM 420 N PRO A 29 2.275 -8.210 8.685 1.00 0.00 N ATOM 421 CA PRO A 29 2.736 -9.535 8.304 1.00 0.00 C ATOM 422 C PRO A 29 2.439 -9.806 6.830 1.00 0.00 C ATOM 423 O PRO A 29 1.364 -9.472 6.334 1.00 0.00 O ATOM 424 CB PRO A 29 2.007 -10.515 9.230 1.00 0.00 C ATOM 425 CG PRO A 29 0.743 -9.755 9.626 1.00 0.00 C ATOM 426 CD PRO A 29 1.231 -8.309 9.692 1.00 0.00 C ATOM 0 HA PRO A 29 3.816 -9.639 8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.771 -11.449 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.611 -10.771 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.053 -9.881 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.349 -10.094 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.420 -7.610 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.616 -8.069 10.683 1.00 0.00 H new ATOM 434 N GLY A 30 3.414 -10.402 6.136 1.00 0.00 N ATOM 435 CA GLY A 30 3.334 -10.700 4.718 1.00 0.00 C ATOM 436 C GLY A 30 4.071 -9.662 3.879 1.00 0.00 C ATOM 437 O GLY A 30 4.660 -10.023 2.863 1.00 0.00 O ATOM 0 H GLY A 30 4.295 -10.693 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.757 -11.687 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.288 -10.738 4.413 1.00 0.00 H new ATOM 441 N VAL A 31 4.040 -8.385 4.287 1.00 0.00 N ATOM 442 CA VAL A 31 4.654 -7.305 3.529 1.00 0.00 C ATOM 443 C VAL A 31 6.176 -7.451 3.557 1.00 0.00 C ATOM 444 O VAL A 31 6.767 -7.591 4.627 1.00 0.00 O ATOM 445 CB VAL A 31 4.200 -5.937 4.066 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.863 -4.800 3.275 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.674 -5.815 3.951 1.00 0.00 C ATOM 0 H VAL A 31 3.588 -8.081 5.150 1.00 0.00 H new ATOM 0 HA VAL A 31 4.329 -7.366 2.490 1.00 0.00 H new ATOM 0 HB VAL A 31 4.497 -5.860 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.530 -3.840 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.946 -4.875 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.584 -4.877 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.357 -4.844 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.379 -5.908 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.201 -6.606 4.533 1.00 0.00 H new ATOM 457 N LYS A 32 6.794 -7.416 2.371 1.00 0.00 N ATOM 458 CA LYS A 32 8.233 -7.493 2.180 1.00 0.00 C ATOM 459 C LYS A 32 8.755 -6.069 1.964 1.00 0.00 C ATOM 460 O LYS A 32 8.856 -5.312 2.928 1.00 0.00 O ATOM 461 CB LYS A 32 8.542 -8.454 1.021 1.00 0.00 C ATOM 462 CG LYS A 32 8.099 -9.887 1.353 1.00 0.00 C ATOM 463 CD LYS A 32 8.331 -10.859 0.188 1.00 0.00 C ATOM 464 CE LYS A 32 9.820 -11.105 -0.076 1.00 0.00 C ATOM 465 NZ LYS A 32 10.017 -12.099 -1.143 1.00 0.00 N ATOM 0 H LYS A 32 6.282 -7.330 1.493 1.00 0.00 H new ATOM 0 HA LYS A 32 8.745 -7.901 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.035 -8.114 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.611 -8.441 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.644 -10.238 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.041 -9.885 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.841 -11.808 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.865 -10.460 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.302 -10.168 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.302 -11.450 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.035 -12.244 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.578 -12.999 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.578 -11.757 -2.021 1.00 0.00 H new ATOM 479 N SER A 33 9.071 -5.690 0.718 1.00 0.00 N ATOM 480 CA SER A 33 9.456 -4.331 0.362 1.00 0.00 C ATOM 481 C SER A 33 8.203 -3.509 0.053 1.00 0.00 C ATOM 482 O SER A 33 7.176 -4.063 -0.337 1.00 0.00 O ATOM 483 CB SER A 33 10.414 -4.363 -0.834 1.00 0.00 C ATOM 484 OG SER A 33 9.826 -5.021 -1.936 1.00 0.00 O ATOM 0 H SER A 33 9.064 -6.331 -0.075 1.00 0.00 H new ATOM 0 HA SER A 33 9.974 -3.860 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.684 -3.345 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.336 -4.871 -0.552 1.00 0.00 H new ATOM 0 HG SER A 33 10.455 -5.027 -2.687 1.00 0.00 H new ATOM 490 N ILE A 34 8.286 -2.187 0.229 1.00 0.00 N ATOM 491 CA ILE A 34 7.180 -1.278 -0.032 1.00 0.00 C ATOM 492 C ILE A 34 7.717 0.091 -0.453 1.00 0.00 C ATOM 493 O ILE A 34 8.652 0.602 0.160 1.00 0.00 O ATOM 494 CB ILE A 34 6.235 -1.209 1.183 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.145 -0.157 0.922 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.982 -0.923 2.494 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.987 -0.234 1.918 1.00 0.00 C ATOM 0 H ILE A 34 9.131 -1.720 0.559 1.00 0.00 H new ATOM 0 HA ILE A 34 6.583 -1.656 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 34 5.772 -2.188 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.590 0.837 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.757 -0.287 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.269 -0.885 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.708 -1.714 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.499 0.033 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.251 0.534 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.519 -1.216 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.365 -0.074 2.928 1.00 0.00 H new ATOM 509 N ARG A 35 7.119 0.670 -1.503 1.00 0.00 N ATOM 510 CA ARG A 35 7.474 1.971 -2.051 1.00 0.00 C ATOM 511 C ARG A 35 6.189 2.762 -2.308 1.00 0.00 C ATOM 512 O ARG A 35 5.514 2.533 -3.310 1.00 0.00 O ATOM 513 CB ARG A 35 8.278 1.789 -3.350 1.00 0.00 C ATOM 514 CG ARG A 35 9.608 1.041 -3.169 1.00 0.00 C ATOM 515 CD ARG A 35 10.633 1.837 -2.352 1.00 0.00 C ATOM 516 NE ARG A 35 11.919 1.131 -2.285 1.00 0.00 N ATOM 517 CZ ARG A 35 12.221 0.126 -1.445 1.00 0.00 C ATOM 518 NH1 ARG A 35 11.333 -0.320 -0.545 1.00 0.00 N ATOM 519 NH2 ARG A 35 13.434 -0.440 -1.508 1.00 0.00 N ATOM 0 H ARG A 35 6.351 0.225 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 35 8.097 2.521 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.665 1.248 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.482 2.770 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.419 0.088 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.028 0.815 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.777 2.819 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.251 2.000 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 35 12.648 1.430 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.407 0.105 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.583 -1.084 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.117 -0.107 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.674 -1.203 -0.875 1.00 0.00 H new ATOM 533 N VAL A 36 5.855 3.690 -1.402 1.00 0.00 N ATOM 534 CA VAL A 36 4.707 4.583 -1.526 1.00 0.00 C ATOM 535 C VAL A 36 5.194 5.936 -2.055 1.00 0.00 C ATOM 536 O VAL A 36 6.255 6.407 -1.645 1.00 0.00 O ATOM 537 CB VAL A 36 3.971 4.698 -0.177 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.637 5.444 -0.326 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.669 3.321 0.427 1.00 0.00 C ATOM 0 H VAL A 36 6.390 3.840 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 36 3.983 4.184 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 36 4.640 5.252 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.145 5.507 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.823 6.449 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.995 4.906 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.150 3.446 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.040 2.753 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.603 2.783 0.592 1.00 0.00 H new ATOM 549 N SER A 37 4.433 6.547 -2.975 1.00 0.00 N ATOM 550 CA SER A 37 4.813 7.765 -3.684 1.00 0.00 C ATOM 551 C SER A 37 3.641 8.746 -3.737 1.00 0.00 C ATOM 552 O SER A 37 2.528 8.363 -4.096 1.00 0.00 O ATOM 553 CB SER A 37 5.262 7.395 -5.102 1.00 0.00 C ATOM 554 OG SER A 37 5.478 8.556 -5.881 1.00 0.00 O ATOM 0 H SER A 37 3.516 6.195 -3.249 1.00 0.00 H new ATOM 0 HA SER A 37 5.633 8.250 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.179 6.807 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.506 6.769 -5.576 1.00 0.00 H new ATOM 0 HG SER A 37 5.590 8.303 -6.821 1.00 0.00 H new ATOM 560 N LEU A 38 3.913 10.015 -3.398 1.00 0.00 N ATOM 561 CA LEU A 38 2.966 11.117 -3.512 1.00 0.00 C ATOM 562 C LEU A 38 2.779 11.474 -4.987 1.00 0.00 C ATOM 563 O LEU A 38 1.649 11.588 -5.456 1.00 0.00 O ATOM 564 CB LEU A 38 3.480 12.332 -2.718 1.00 0.00 C ATOM 565 CG LEU A 38 2.517 13.534 -2.724 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.197 13.220 -2.007 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.194 14.720 -2.029 1.00 0.00 C ATOM 0 H LEU A 38 4.820 10.302 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 38 2.003 10.819 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.661 12.029 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.439 12.645 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 38 2.285 13.771 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.550 14.096 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.702 12.386 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.401 12.954 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.519 15.576 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.437 14.449 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.109 14.980 -2.562 1.00 0.00 H new ATOM 579 N ALA A 39 3.899 11.648 -5.703 1.00 0.00 N ATOM 580 CA ALA A 39 3.944 12.048 -7.103 1.00 0.00 C ATOM 581 C ALA A 39 3.136 11.101 -7.989 1.00 0.00 C ATOM 582 O ALA A 39 2.377 11.556 -8.842 1.00 0.00 O ATOM 583 CB ALA A 39 5.402 12.109 -7.566 1.00 0.00 C ATOM 0 H ALA A 39 4.827 11.507 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 39 3.490 13.035 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.439 12.408 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.946 12.835 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.861 11.127 -7.453 1.00 0.00 H new ATOM 589 N ASN A 40 3.291 9.788 -7.776 1.00 0.00 N ATOM 590 CA ASN A 40 2.562 8.766 -8.519 1.00 0.00 C ATOM 591 C ASN A 40 1.231 8.426 -7.835 1.00 0.00 C ATOM 592 O ASN A 40 0.413 7.723 -8.426 1.00 0.00 O ATOM 593 CB ASN A 40 3.435 7.515 -8.658 1.00 0.00 C ATOM 594 CG ASN A 40 4.775 7.821 -9.321 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.808 7.838 -8.656 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.764 8.065 -10.633 1.00 0.00 N ATOM 0 H ASN A 40 3.931 9.408 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 40 2.330 9.154 -9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.609 7.083 -7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.903 6.766 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.635 8.275 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.884 8.041 -11.149 1.00 0.00 H new ATOM 603 N SER A 41 1.014 8.924 -6.609 1.00 0.00 N ATOM 604 CA SER A 41 -0.215 8.781 -5.841 1.00 0.00 C ATOM 605 C SER A 41 -0.607 7.310 -5.701 1.00 0.00 C ATOM 606 O SER A 41 -1.730 6.928 -6.025 1.00 0.00 O ATOM 607 CB SER A 41 -1.331 9.636 -6.458 1.00 0.00 C ATOM 608 OG SER A 41 -0.880 10.958 -6.670 1.00 0.00 O ATOM 0 H SER A 41 1.725 9.459 -6.111 1.00 0.00 H new ATOM 0 HA SER A 41 -0.047 9.152 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.652 9.199 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.199 9.643 -5.799 1.00 0.00 H new ATOM 0 HG SER A 41 -0.041 11.099 -6.183 1.00 0.00 H new ATOM 614 N ASN A 42 0.335 6.482 -5.233 1.00 0.00 N ATOM 615 CA ASN A 42 0.156 5.039 -5.183 1.00 0.00 C ATOM 616 C ASN A 42 1.069 4.389 -4.146 1.00 0.00 C ATOM 617 O ASN A 42 1.962 5.033 -3.596 1.00 0.00 O ATOM 618 CB ASN A 42 0.338 4.425 -6.584 1.00 0.00 C ATOM 619 CG ASN A 42 1.757 4.536 -7.145 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.669 5.038 -6.495 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.946 4.057 -8.375 1.00 0.00 N ATOM 0 H ASN A 42 1.238 6.800 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.865 4.835 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.057 3.372 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.351 4.913 -7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.871 4.102 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.166 3.646 -8.888 1.00 0.00 H new ATOM 628 N GLY A 43 0.818 3.099 -3.904 1.00 0.00 N ATOM 629 CA GLY A 43 1.561 2.227 -3.018 1.00 0.00 C ATOM 630 C GLY A 43 1.945 0.968 -3.783 1.00 0.00 C ATOM 631 O GLY A 43 1.072 0.183 -4.150 1.00 0.00 O ATOM 0 H GLY A 43 0.041 2.615 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.454 2.733 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.958 1.971 -2.147 1.00 0.00 H new ATOM 635 N THR A 44 3.250 0.777 -4.008 1.00 0.00 N ATOM 636 CA THR A 44 3.804 -0.389 -4.677 1.00 0.00 C ATOM 637 C THR A 44 4.294 -1.323 -3.575 1.00 0.00 C ATOM 638 O THR A 44 5.415 -1.184 -3.089 1.00 0.00 O ATOM 639 CB THR A 44 4.931 0.042 -5.630 1.00 0.00 C ATOM 640 OG1 THR A 44 4.416 0.961 -6.572 1.00 0.00 O ATOM 641 CG2 THR A 44 5.527 -1.159 -6.374 1.00 0.00 C ATOM 0 H THR A 44 3.961 1.449 -3.720 1.00 0.00 H new ATOM 0 HA THR A 44 3.067 -0.904 -5.293 1.00 0.00 H new ATOM 0 HB THR A 44 5.721 0.503 -5.037 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.131 1.240 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.321 -0.818 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.937 -1.867 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.748 -1.647 -6.960 1.00 0.00 H new ATOM 649 N VAL A 45 3.422 -2.253 -3.171 1.00 0.00 N ATOM 650 CA VAL A 45 3.625 -3.128 -2.027 1.00 0.00 C ATOM 651 C VAL A 45 3.965 -4.529 -2.527 1.00 0.00 C ATOM 652 O VAL A 45 3.158 -5.133 -3.231 1.00 0.00 O ATOM 653 CB VAL A 45 2.354 -3.164 -1.156 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.652 -3.893 0.161 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.814 -1.761 -0.847 1.00 0.00 C ATOM 0 H VAL A 45 2.535 -2.417 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 45 4.447 -2.751 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 45 1.589 -3.694 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.752 -3.917 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.973 -4.913 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.443 -3.368 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.919 -1.843 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.572 -1.189 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.568 -1.253 -1.779 1.00 0.00 H new ATOM 665 N GLU A 46 5.141 -5.047 -2.150 1.00 0.00 N ATOM 666 CA GLU A 46 5.513 -6.439 -2.357 1.00 0.00 C ATOM 667 C GLU A 46 5.052 -7.210 -1.121 1.00 0.00 C ATOM 668 O GLU A 46 5.261 -6.744 -0.002 1.00 0.00 O ATOM 669 CB GLU A 46 7.025 -6.554 -2.567 1.00 0.00 C ATOM 670 CG GLU A 46 7.423 -7.966 -3.007 1.00 0.00 C ATOM 671 CD GLU A 46 8.934 -8.078 -3.181 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.616 -8.237 -2.145 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.382 -7.999 -4.346 1.00 0.00 O ATOM 0 H GLU A 46 5.865 -4.498 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 46 5.041 -6.852 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.345 -5.833 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.543 -6.300 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.084 -8.691 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.926 -8.212 -3.945 1.00 0.00 H new ATOM 680 N TYR A 47 4.404 -8.363 -1.319 1.00 0.00 N ATOM 681 CA TYR A 47 3.729 -9.082 -0.250 1.00 0.00 C ATOM 682 C TYR A 47 3.712 -10.592 -0.492 1.00 0.00 C ATOM 683 O TYR A 47 3.987 -11.055 -1.598 1.00 0.00 O ATOM 684 CB TYR A 47 2.300 -8.544 -0.104 1.00 0.00 C ATOM 685 CG TYR A 47 1.373 -8.924 -1.247 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.452 -8.246 -2.478 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.443 -9.968 -1.087 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.651 -8.650 -3.559 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.364 -10.365 -2.167 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.250 -9.716 -3.407 1.00 0.00 C ATOM 691 OH TYR A 47 -1.005 -10.122 -4.469 1.00 0.00 O ATOM 0 H TYR A 47 4.337 -8.819 -2.229 1.00 0.00 H new ATOM 0 HA TYR A 47 4.283 -8.917 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.878 -8.914 0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.339 -7.457 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.130 -7.413 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.349 -10.465 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.728 -8.140 -4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.073 -11.170 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.576 -10.871 -4.197 1.00 0.00 H new ATOM 701 N ASP A 48 3.361 -11.342 0.561 1.00 0.00 N ATOM 702 CA ASP A 48 3.123 -12.777 0.528 1.00 0.00 C ATOM 703 C ASP A 48 1.606 -13.022 0.542 1.00 0.00 C ATOM 704 O ASP A 48 0.970 -12.736 1.557 1.00 0.00 O ATOM 705 CB ASP A 48 3.803 -13.431 1.741 1.00 0.00 C ATOM 706 CG ASP A 48 3.713 -14.960 1.757 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.919 -15.520 0.969 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.450 -15.552 2.575 1.00 0.00 O ATOM 0 H ASP A 48 3.232 -10.943 1.491 1.00 0.00 H new ATOM 0 HA ASP A 48 3.542 -13.219 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.853 -13.139 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.350 -13.041 2.652 1.00 0.00 H new ATOM 713 N PRO A 49 1.025 -13.557 -0.549 1.00 0.00 N ATOM 714 CA PRO A 49 -0.374 -13.968 -0.650 1.00 0.00 C ATOM 715 C PRO A 49 -0.908 -14.753 0.551 1.00 0.00 C ATOM 716 O PRO A 49 -2.071 -14.600 0.916 1.00 0.00 O ATOM 717 CB PRO A 49 -0.462 -14.805 -1.927 1.00 0.00 C ATOM 718 CG PRO A 49 0.597 -14.158 -2.810 1.00 0.00 C ATOM 719 CD PRO A 49 1.698 -13.818 -1.811 1.00 0.00 C ATOM 0 HA PRO A 49 -1.003 -13.078 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.248 -15.857 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.453 -14.757 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.949 -14.838 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.217 -13.269 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.405 -14.642 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.267 -12.947 -2.138 1.00 0.00 H new ATOM 727 N LEU A 50 -0.067 -15.600 1.156 1.00 0.00 N ATOM 728 CA LEU A 50 -0.454 -16.444 2.277 1.00 0.00 C ATOM 729 C LEU A 50 -0.806 -15.615 3.518 1.00 0.00 C ATOM 730 O LEU A 50 -1.711 -15.991 4.261 1.00 0.00 O ATOM 731 CB LEU A 50 0.674 -17.433 2.601 1.00 0.00 C ATOM 732 CG LEU A 50 1.081 -18.347 1.431 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.270 -19.208 1.872 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.069 -19.257 0.984 1.00 0.00 C ATOM 0 H LEU A 50 0.907 -15.715 0.874 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.348 -16.996 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.549 -16.871 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.364 -18.056 3.440 1.00 0.00 H new ATOM 0 HG LEU A 50 1.349 -17.717 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.570 -19.861 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.105 -18.563 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.982 -19.813 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.264 -19.884 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.378 -19.889 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.912 -18.646 0.660 1.00 0.00 H new ATOM 746 N LEU A 51 -0.089 -14.507 3.751 1.00 0.00 N ATOM 747 CA LEU A 51 -0.191 -13.711 4.971 1.00 0.00 C ATOM 748 C LEU A 51 -1.075 -12.475 4.766 1.00 0.00 C ATOM 749 O LEU A 51 -1.767 -12.073 5.700 1.00 0.00 O ATOM 750 CB LEU A 51 1.213 -13.314 5.452 1.00 0.00 C ATOM 751 CG LEU A 51 1.899 -14.382 6.324 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.105 -15.712 5.594 1.00 0.00 C ATOM 753 CD2 LEU A 51 3.263 -13.863 6.792 1.00 0.00 C ATOM 0 H LEU A 51 0.587 -14.137 3.083 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.668 -14.319 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.840 -13.110 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.143 -12.386 6.019 1.00 0.00 H new ATOM 0 HG LEU A 51 1.236 -14.569 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.593 -16.422 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.139 -16.110 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.730 -15.552 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.748 -14.619 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.887 -13.647 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.125 -12.953 7.375 1.00 0.00 H new ATOM 765 N THR A 52 -1.061 -11.869 3.571 1.00 0.00 N ATOM 766 CA THR A 52 -1.891 -10.711 3.245 1.00 0.00 C ATOM 767 C THR A 52 -2.272 -10.742 1.762 1.00 0.00 C ATOM 768 O THR A 52 -1.850 -11.638 1.036 1.00 0.00 O ATOM 769 CB THR A 52 -1.174 -9.414 3.663 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.061 -8.317 3.594 1.00 0.00 O ATOM 771 CG2 THR A 52 0.051 -9.117 2.795 1.00 0.00 C ATOM 0 H THR A 52 -0.467 -12.174 2.800 1.00 0.00 H new ATOM 0 HA THR A 52 -2.824 -10.746 3.808 1.00 0.00 H new ATOM 0 HB THR A 52 -0.835 -9.562 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.592 -7.500 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.520 -8.192 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.764 -9.937 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.257 -9.010 1.755 1.00 0.00 H new ATOM 779 N SER A 53 -3.081 -9.774 1.314 1.00 0.00 N ATOM 780 CA SER A 53 -3.619 -9.720 -0.041 1.00 0.00 C ATOM 781 C SER A 53 -3.803 -8.262 -0.482 1.00 0.00 C ATOM 782 O SER A 53 -3.811 -7.373 0.370 1.00 0.00 O ATOM 783 CB SER A 53 -4.952 -10.480 -0.082 1.00 0.00 C ATOM 784 OG SER A 53 -5.972 -9.740 0.558 1.00 0.00 O ATOM 0 H SER A 53 -3.383 -8.994 1.898 1.00 0.00 H new ATOM 0 HA SER A 53 -2.921 -10.191 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.233 -10.675 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.839 -11.448 0.405 1.00 0.00 H new ATOM 0 HG SER A 53 -6.813 -10.241 0.519 1.00 0.00 H new ATOM 790 N PRO A 54 -3.974 -7.993 -1.790 1.00 0.00 N ATOM 791 CA PRO A 54 -4.280 -6.664 -2.302 1.00 0.00 C ATOM 792 C PRO A 54 -5.501 -6.051 -1.616 1.00 0.00 C ATOM 793 O PRO A 54 -5.497 -4.863 -1.308 1.00 0.00 O ATOM 794 CB PRO A 54 -4.518 -6.836 -3.806 1.00 0.00 C ATOM 795 CG PRO A 54 -3.692 -8.074 -4.139 1.00 0.00 C ATOM 796 CD PRO A 54 -3.903 -8.935 -2.896 1.00 0.00 C ATOM 0 HA PRO A 54 -3.459 -5.976 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.574 -6.981 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.186 -5.964 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.044 -8.569 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.640 -7.834 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.818 -9.522 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.083 -9.640 -2.761 1.00 0.00 H new ATOM 804 N GLU A 55 -6.537 -6.864 -1.378 1.00 0.00 N ATOM 805 CA GLU A 55 -7.775 -6.428 -0.750 1.00 0.00 C ATOM 806 C GLU A 55 -7.554 -6.053 0.718 1.00 0.00 C ATOM 807 O GLU A 55 -8.131 -5.074 1.186 1.00 0.00 O ATOM 808 CB GLU A 55 -8.850 -7.511 -0.895 1.00 0.00 C ATOM 809 CG GLU A 55 -9.106 -7.838 -2.371 1.00 0.00 C ATOM 810 CD GLU A 55 -10.398 -8.631 -2.544 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.328 -9.872 -2.410 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.432 -7.978 -2.803 1.00 0.00 O ATOM 0 H GLU A 55 -6.532 -7.854 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.122 -5.530 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.536 -8.412 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.775 -7.175 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.163 -6.914 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.269 -8.410 -2.770 1.00 0.00 H new ATOM 819 N THR A 56 -6.723 -6.814 1.442 1.00 0.00 N ATOM 820 CA THR A 56 -6.364 -6.504 2.822 1.00 0.00 C ATOM 821 C THR A 56 -5.651 -5.151 2.888 1.00 0.00 C ATOM 822 O THR A 56 -6.018 -4.296 3.692 1.00 0.00 O ATOM 823 CB THR A 56 -5.483 -7.623 3.399 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.112 -8.875 3.224 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.204 -7.416 4.891 1.00 0.00 C ATOM 0 H THR A 56 -6.283 -7.661 1.083 1.00 0.00 H new ATOM 0 HA THR A 56 -7.270 -6.439 3.424 1.00 0.00 H new ATOM 0 HB THR A 56 -4.535 -7.597 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.005 -9.168 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.578 -8.228 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.689 -6.466 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.146 -7.406 5.439 1.00 0.00 H new ATOM 833 N LEU A 57 -4.636 -4.964 2.036 1.00 0.00 N ATOM 834 CA LEU A 57 -3.847 -3.742 1.959 1.00 0.00 C ATOM 835 C LEU A 57 -4.738 -2.545 1.610 1.00 0.00 C ATOM 836 O LEU A 57 -4.680 -1.515 2.278 1.00 0.00 O ATOM 837 CB LEU A 57 -2.727 -3.927 0.924 1.00 0.00 C ATOM 838 CG LEU A 57 -1.691 -4.989 1.336 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.852 -5.384 0.115 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.767 -4.470 2.443 1.00 0.00 C ATOM 0 H LEU A 57 -4.339 -5.677 1.369 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.396 -3.538 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.167 -4.210 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.220 -2.974 0.772 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.228 -5.856 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.118 -6.136 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.504 -5.792 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.337 -4.505 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.048 -5.245 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.235 -3.587 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.360 -4.208 3.319 1.00 0.00 H new ATOM 852 N ARG A 58 -5.574 -2.691 0.576 1.00 0.00 N ATOM 853 CA ARG A 58 -6.564 -1.704 0.164 1.00 0.00 C ATOM 854 C ARG A 58 -7.452 -1.316 1.352 1.00 0.00 C ATOM 855 O ARG A 58 -7.627 -0.132 1.631 1.00 0.00 O ATOM 856 CB ARG A 58 -7.380 -2.293 -0.993 1.00 0.00 C ATOM 857 CG ARG A 58 -8.387 -1.309 -1.599 1.00 0.00 C ATOM 858 CD ARG A 58 -9.226 -2.010 -2.671 1.00 0.00 C ATOM 859 NE ARG A 58 -10.052 -3.071 -2.077 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.512 -4.163 -2.710 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.296 -4.349 -4.020 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.197 -5.082 -2.017 1.00 0.00 N ATOM 0 H ARG A 58 -5.576 -3.525 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.076 -0.791 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.697 -2.628 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.915 -3.174 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.037 -0.914 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.861 -0.460 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.865 -1.283 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.571 -2.436 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.299 -2.969 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.774 -3.655 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.654 -5.185 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.364 -4.949 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.551 -5.915 -2.487 1.00 0.00 H new ATOM 876 N GLY A 59 -7.994 -2.317 2.056 1.00 0.00 N ATOM 877 CA GLY A 59 -8.826 -2.139 3.236 1.00 0.00 C ATOM 878 C GLY A 59 -8.116 -1.341 4.331 1.00 0.00 C ATOM 879 O GLY A 59 -8.718 -0.461 4.941 1.00 0.00 O ATOM 0 H GLY A 59 -7.858 -3.297 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.746 -1.627 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.111 -3.115 3.628 1.00 0.00 H new ATOM 883 N ALA A 60 -6.835 -1.641 4.578 1.00 0.00 N ATOM 884 CA ALA A 60 -6.027 -0.931 5.559 1.00 0.00 C ATOM 885 C ALA A 60 -5.883 0.547 5.189 1.00 0.00 C ATOM 886 O ALA A 60 -5.978 1.414 6.053 1.00 0.00 O ATOM 887 CB ALA A 60 -4.658 -1.603 5.683 1.00 0.00 C ATOM 0 H ALA A 60 -6.334 -2.388 4.097 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.529 -0.976 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.056 -1.069 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.788 -2.637 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.154 -1.582 4.717 1.00 0.00 H new ATOM 893 N ILE A 61 -5.662 0.837 3.903 1.00 0.00 N ATOM 894 CA ILE A 61 -5.526 2.199 3.407 1.00 0.00 C ATOM 895 C ILE A 61 -6.858 2.952 3.539 1.00 0.00 C ATOM 896 O ILE A 61 -6.862 4.122 3.924 1.00 0.00 O ATOM 897 CB ILE A 61 -4.964 2.175 1.974 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.544 1.576 1.954 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.914 3.594 1.399 1.00 0.00 C ATOM 900 CD1 ILE A 61 -3.155 1.041 0.573 1.00 0.00 C ATOM 0 H ILE A 61 -5.573 0.126 3.178 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.810 2.753 4.013 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.624 1.555 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.827 2.338 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.483 0.769 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.515 3.562 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.919 4.014 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.272 4.217 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.146 0.630 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.854 0.259 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.188 1.852 -0.154 1.00 0.00 H new ATOM 912 N GLU A 62 -7.987 2.290 3.248 1.00 0.00 N ATOM 913 CA GLU A 62 -9.315 2.846 3.493 1.00 0.00 C ATOM 914 C GLU A 62 -9.502 3.172 4.977 1.00 0.00 C ATOM 915 O GLU A 62 -10.030 4.232 5.304 1.00 0.00 O ATOM 916 CB GLU A 62 -10.414 1.882 3.019 1.00 0.00 C ATOM 917 CG GLU A 62 -10.501 1.758 1.492 1.00 0.00 C ATOM 918 CD GLU A 62 -10.992 3.025 0.791 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.571 3.895 1.478 1.00 0.00 O ATOM 920 OE2 GLU A 62 -10.786 3.096 -0.439 1.00 0.00 O ATOM 0 H GLU A 62 -8.000 1.356 2.837 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.399 3.770 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.231 0.896 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.376 2.222 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.517 1.498 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.170 0.935 1.242 1.00 0.00 H new ATOM 927 N ASP A 63 -9.069 2.272 5.870 1.00 0.00 N ATOM 928 CA ASP A 63 -9.156 2.472 7.312 1.00 0.00 C ATOM 929 C ASP A 63 -8.346 3.698 7.747 1.00 0.00 C ATOM 930 O ASP A 63 -8.838 4.502 8.536 1.00 0.00 O ATOM 931 CB ASP A 63 -8.714 1.203 8.051 1.00 0.00 C ATOM 932 CG ASP A 63 -8.844 1.364 9.563 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.982 1.211 10.056 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.803 1.639 10.199 1.00 0.00 O ATOM 0 H ASP A 63 -8.647 1.382 5.605 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.195 2.667 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.319 0.359 7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.679 0.973 7.796 1.00 0.00 H new ATOM 939 N MET A 64 -7.120 3.853 7.227 1.00 0.00 N ATOM 940 CA MET A 64 -6.300 5.036 7.471 1.00 0.00 C ATOM 941 C MET A 64 -6.973 6.302 6.924 1.00 0.00 C ATOM 942 O MET A 64 -6.836 7.365 7.527 1.00 0.00 O ATOM 943 CB MET A 64 -4.882 4.843 6.916 1.00 0.00 C ATOM 944 CG MET A 64 -4.107 3.822 7.759 1.00 0.00 C ATOM 945 SD MET A 64 -2.348 3.637 7.358 1.00 0.00 S ATOM 946 CE MET A 64 -2.459 2.742 5.792 1.00 0.00 C ATOM 0 H MET A 64 -6.674 3.159 6.627 1.00 0.00 H new ATOM 0 HA MET A 64 -6.207 5.171 8.549 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.934 4.504 5.881 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.354 5.796 6.913 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.193 4.106 8.808 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.589 2.850 7.651 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.477 2.349 5.527 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.165 1.917 5.893 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.802 3.419 5.010 1.00 0.00 H new ATOM 956 N GLY A 65 -7.708 6.188 5.808 1.00 0.00 N ATOM 957 CA GLY A 65 -8.581 7.239 5.301 1.00 0.00 C ATOM 958 C GLY A 65 -8.095 7.813 3.976 1.00 0.00 C ATOM 959 O GLY A 65 -7.897 9.022 3.871 1.00 0.00 O ATOM 0 H GLY A 65 -7.708 5.348 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.587 6.841 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.646 8.040 6.038 1.00 0.00 H new ATOM 963 N PHE A 66 -7.922 6.953 2.964 1.00 0.00 N ATOM 964 CA PHE A 66 -7.622 7.363 1.597 1.00 0.00 C ATOM 965 C PHE A 66 -8.395 6.480 0.621 1.00 0.00 C ATOM 966 O PHE A 66 -8.676 5.321 0.927 1.00 0.00 O ATOM 967 CB PHE A 66 -6.117 7.276 1.330 1.00 0.00 C ATOM 968 CG PHE A 66 -5.261 8.003 2.346 1.00 0.00 C ATOM 969 CD1 PHE A 66 -5.025 9.381 2.207 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.719 7.303 3.441 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.265 10.065 3.170 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.962 7.988 4.406 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.743 9.370 4.276 1.00 0.00 C ATOM 0 H PHE A 66 -7.988 5.942 3.079 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.928 8.400 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.824 6.226 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.911 7.684 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.428 9.915 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.885 6.240 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.082 11.124 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.548 7.453 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.173 9.899 5.026 1.00 0.00 H new ATOM 983 N ASP A 67 -8.732 7.025 -0.554 1.00 0.00 N ATOM 984 CA ASP A 67 -9.447 6.295 -1.588 1.00 0.00 C ATOM 985 C ASP A 67 -8.477 5.331 -2.271 1.00 0.00 C ATOM 986 O ASP A 67 -7.710 5.731 -3.145 1.00 0.00 O ATOM 987 CB ASP A 67 -10.085 7.278 -2.577 1.00 0.00 C ATOM 988 CG ASP A 67 -10.748 6.547 -3.743 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.748 5.845 -3.478 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.244 6.700 -4.877 1.00 0.00 O ATOM 0 H ASP A 67 -8.512 7.988 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.258 5.710 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.826 7.887 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.323 7.958 -2.958 1.00 0.00 H new ATOM 995 N ALA A 68 -8.518 4.063 -1.853 1.00 0.00 N ATOM 996 CA ALA A 68 -7.625 3.014 -2.309 1.00 0.00 C ATOM 997 C ALA A 68 -8.322 2.170 -3.371 1.00 0.00 C ATOM 998 O ALA A 68 -9.432 1.686 -3.152 1.00 0.00 O ATOM 999 CB ALA A 68 -7.221 2.146 -1.119 1.00 0.00 C ATOM 0 H ALA A 68 -9.198 3.736 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.731 3.456 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.550 1.356 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.713 2.761 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.111 1.701 -0.675 1.00 0.00 H new ATOM 1005 N THR A 69 -7.661 1.989 -4.518 1.00 0.00 N ATOM 1006 CA THR A 69 -8.127 1.140 -5.604 1.00 0.00 C ATOM 1007 C THR A 69 -6.910 0.585 -6.344 1.00 0.00 C ATOM 1008 O THR A 69 -5.790 1.027 -6.104 1.00 0.00 O ATOM 1009 CB THR A 69 -9.084 1.925 -6.517 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.642 1.056 -7.480 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.401 3.103 -7.223 1.00 0.00 C ATOM 0 H THR A 69 -6.768 2.441 -4.716 1.00 0.00 H new ATOM 0 HA THR A 69 -8.699 0.295 -5.221 1.00 0.00 H new ATOM 0 HB THR A 69 -9.865 2.340 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.253 1.558 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.125 3.619 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.009 3.796 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.582 2.732 -7.840 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.114 -0.387 -7.237 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.030 -1.015 -7.978 1.00 0.00 C ATOM 1021 C LEU A 70 -5.487 -0.051 -9.040 1.00 0.00 C ATOM 1022 O LEU A 70 -6.084 0.992 -9.304 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.512 -2.331 -8.615 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.896 -3.462 -7.640 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -5.788 -3.771 -6.625 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -8.224 -3.227 -6.908 1.00 0.00 C ATOM 0 H LEU A 70 -8.037 -0.757 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.219 -1.252 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.377 -2.111 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.726 -2.700 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.030 -4.332 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.113 -4.575 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.886 -4.079 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.576 -2.879 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.425 -4.065 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.161 -2.307 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.031 -3.141 -7.636 1.00 0.00 H new