USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=21 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -174:sc= 0 (180deg=-0.0209) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 1.09 USER MOD Set 2.2: A 56 THR OG1 : rot 76:sc= 0.981 USER MOD Set 3.1: A 37 SER OG : rot -170:sc= 1.16 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.725 K(o=1.9,f=-0.062) USER MOD Set 4.1: A 13 THR OG1 : rot -52:sc= -0.0686 USER MOD Set 4.2: A 14 CYS SG : rot 180:sc= 1.21 USER MOD Set 4.3: A 16 SER OG : rot -85:sc= 1.4 USER MOD Set 4.4: A 17 CYS SG : rot -90:sc= 0.616 USER MOD Set 5.1: A 12 MET CE :methyl 179:sc=-0.00794 (180deg=-0.0103) USER MOD Set 5.2: A 41 SER OG : rot 6:sc= 0.708 USER MOD Single : A 2 THR OG1 : rot 43:sc= 0.477 USER MOD Single : A 3 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.196 X(o=0.2,f=-0.058) USER MOD Single : A 15 ASN : amide:sc=-0.00495 X(o=-0.0049,f=-0.48) USER MOD Single : A 19 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 26 SER OG : rot 69:sc= 1.01 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0202) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0627) USER MOD Single : A 33 SER OG : rot 127:sc= 0.22 USER MOD Single : A 42 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 6.345 -14.355 -3.392 1.00 0.00 N ATOM 23 CA THR A 2 6.593 -12.952 -3.694 1.00 0.00 C ATOM 24 C THR A 2 5.667 -12.490 -4.819 1.00 0.00 C ATOM 25 O THR A 2 5.922 -12.788 -5.985 1.00 0.00 O ATOM 26 CB THR A 2 8.067 -12.776 -4.096 1.00 0.00 C ATOM 27 OG1 THR A 2 8.412 -13.696 -5.112 1.00 0.00 O ATOM 28 CG2 THR A 2 8.999 -12.979 -2.900 1.00 0.00 C ATOM 0 HA THR A 2 6.390 -12.343 -2.813 1.00 0.00 H new ATOM 0 HB THR A 2 8.186 -11.757 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.689 -13.740 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.033 -12.848 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.762 -12.249 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.867 -13.985 -2.502 1.00 0.00 H new ATOM 36 N GLN A 3 4.611 -11.747 -4.467 1.00 0.00 N ATOM 37 CA GLN A 3 3.740 -11.055 -5.410 1.00 0.00 C ATOM 38 C GLN A 3 3.836 -9.550 -5.156 1.00 0.00 C ATOM 39 O GLN A 3 4.332 -9.132 -4.112 1.00 0.00 O ATOM 40 CB GLN A 3 2.295 -11.545 -5.252 1.00 0.00 C ATOM 41 CG GLN A 3 2.141 -13.054 -5.492 1.00 0.00 C ATOM 42 CD GLN A 3 2.697 -13.521 -6.835 1.00 0.00 C ATOM 43 OE1 GLN A 3 3.539 -14.414 -6.882 1.00 0.00 O ATOM 44 NE2 GLN A 3 2.226 -12.924 -7.932 1.00 0.00 N ATOM 0 H GLN A 3 4.336 -11.610 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 3 4.055 -11.267 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.944 -11.305 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.656 -11.005 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.647 -13.594 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.085 -13.316 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.527 -12.186 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.565 -13.206 -8.852 1.00 0.00 H new ATOM 53 N GLU A 4 3.365 -8.740 -6.114 1.00 0.00 N ATOM 54 CA GLU A 4 3.388 -7.285 -6.039 1.00 0.00 C ATOM 55 C GLU A 4 2.023 -6.727 -6.436 1.00 0.00 C ATOM 56 O GLU A 4 1.340 -7.304 -7.281 1.00 0.00 O ATOM 57 CB GLU A 4 4.511 -6.735 -6.931 1.00 0.00 C ATOM 58 CG GLU A 4 4.671 -5.215 -6.784 1.00 0.00 C ATOM 59 CD GLU A 4 5.889 -4.702 -7.546 1.00 0.00 C ATOM 60 OE1 GLU A 4 5.833 -4.736 -8.794 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.854 -4.282 -6.870 1.00 0.00 O ATOM 0 H GLU A 4 2.951 -9.092 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 4 3.593 -6.970 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.450 -7.225 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.299 -6.978 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.774 -4.717 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.767 -4.959 -5.729 1.00 0.00 H new ATOM 68 N THR A 5 1.635 -5.605 -5.816 1.00 0.00 N ATOM 69 CA THR A 5 0.410 -4.883 -6.120 1.00 0.00 C ATOM 70 C THR A 5 0.687 -3.380 -6.109 1.00 0.00 C ATOM 71 O THR A 5 1.462 -2.898 -5.282 1.00 0.00 O ATOM 72 CB THR A 5 -0.705 -5.272 -5.136 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.892 -4.585 -5.477 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.357 -4.971 -3.673 1.00 0.00 C ATOM 0 H THR A 5 2.183 -5.171 -5.073 1.00 0.00 H new ATOM 0 HA THR A 5 0.063 -5.155 -7.117 1.00 0.00 H new ATOM 0 HB THR A 5 -0.835 -6.351 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.495 -4.570 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.187 -5.270 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.538 -5.526 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.174 -3.903 -3.555 1.00 0.00 H new ATOM 82 N VAL A 6 0.045 -2.657 -7.035 1.00 0.00 N ATOM 83 CA VAL A 6 0.087 -1.208 -7.144 1.00 0.00 C ATOM 84 C VAL A 6 -1.313 -0.696 -6.812 1.00 0.00 C ATOM 85 O VAL A 6 -2.220 -0.780 -7.640 1.00 0.00 O ATOM 86 CB VAL A 6 0.549 -0.788 -8.551 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.621 0.742 -8.656 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.933 -1.369 -8.869 1.00 0.00 C ATOM 0 H VAL A 6 -0.538 -3.089 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 6 0.807 -0.774 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.177 -1.174 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.949 1.023 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.365 1.167 -8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.330 1.124 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.237 -1.058 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.657 -1.005 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.890 -2.457 -8.825 1.00 0.00 H new ATOM 98 N ILE A 7 -1.487 -0.179 -5.592 1.00 0.00 N ATOM 99 CA ILE A 7 -2.761 0.316 -5.094 1.00 0.00 C ATOM 100 C ILE A 7 -2.753 1.835 -5.223 1.00 0.00 C ATOM 101 O ILE A 7 -1.987 2.502 -4.536 1.00 0.00 O ATOM 102 CB ILE A 7 -2.978 -0.142 -3.640 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.797 -1.669 -3.553 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.374 0.300 -3.169 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.150 -2.258 -2.187 1.00 0.00 C ATOM 0 H ILE A 7 -0.729 -0.094 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.591 -0.086 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.242 0.319 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.418 -2.143 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.762 -1.916 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.530 -0.023 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.450 1.386 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.133 -0.149 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.997 -3.337 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.512 -1.814 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.194 -2.044 -1.957 1.00 0.00 H new ATOM 117 N ASN A 8 -3.600 2.382 -6.098 1.00 0.00 N ATOM 118 CA ASN A 8 -3.743 3.817 -6.293 1.00 0.00 C ATOM 119 C ASN A 8 -4.321 4.431 -5.020 1.00 0.00 C ATOM 120 O ASN A 8 -5.387 4.008 -4.575 1.00 0.00 O ATOM 121 CB ASN A 8 -4.665 4.111 -7.483 1.00 0.00 C ATOM 122 CG ASN A 8 -4.240 3.358 -8.739 1.00 0.00 C ATOM 123 OD1 ASN A 8 -3.385 3.824 -9.488 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.835 2.186 -8.966 1.00 0.00 N ATOM 0 H ASN A 8 -4.212 1.828 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.766 4.252 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.688 3.836 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.664 5.182 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.585 1.638 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.540 1.838 -8.316 1.00 0.00 H new ATOM 131 N ILE A 9 -3.614 5.413 -4.447 1.00 0.00 N ATOM 132 CA ILE A 9 -4.022 6.136 -3.250 1.00 0.00 C ATOM 133 C ILE A 9 -4.347 7.561 -3.688 1.00 0.00 C ATOM 134 O ILE A 9 -3.510 8.207 -4.316 1.00 0.00 O ATOM 135 CB ILE A 9 -2.905 6.120 -2.185 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.400 4.683 -1.961 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.415 6.725 -0.866 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.425 4.559 -0.790 1.00 0.00 C ATOM 0 H ILE A 9 -2.719 5.730 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.891 5.666 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.073 6.726 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.254 4.029 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.912 4.331 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.616 6.707 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.729 7.755 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.261 6.143 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.109 3.521 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.554 5.187 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.917 4.880 0.128 1.00 0.00 H new ATOM 150 N ASP A 10 -5.551 8.047 -3.365 1.00 0.00 N ATOM 151 CA ASP A 10 -5.972 9.409 -3.663 1.00 0.00 C ATOM 152 C ASP A 10 -6.588 10.048 -2.415 1.00 0.00 C ATOM 153 O ASP A 10 -7.140 9.356 -1.560 1.00 0.00 O ATOM 154 CB ASP A 10 -6.926 9.400 -4.865 1.00 0.00 C ATOM 155 CG ASP A 10 -7.481 10.787 -5.174 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.663 11.657 -5.544 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.711 10.956 -5.027 1.00 0.00 O ATOM 0 H ASP A 10 -6.263 7.496 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.113 10.021 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.400 9.018 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.752 8.717 -4.666 1.00 0.00 H new ATOM 162 N GLY A 11 -6.471 11.378 -2.321 1.00 0.00 N ATOM 163 CA GLY A 11 -6.988 12.181 -1.225 1.00 0.00 C ATOM 164 C GLY A 11 -5.954 12.372 -0.114 1.00 0.00 C ATOM 165 O GLY A 11 -6.323 12.407 1.059 1.00 0.00 O ATOM 0 H GLY A 11 -5.998 11.935 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.296 13.155 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.877 11.703 -0.814 1.00 0.00 H new ATOM 169 N MET A 12 -4.670 12.509 -0.475 1.00 0.00 N ATOM 170 CA MET A 12 -3.601 12.818 0.466 1.00 0.00 C ATOM 171 C MET A 12 -3.471 14.335 0.591 1.00 0.00 C ATOM 172 O MET A 12 -3.647 15.055 -0.391 1.00 0.00 O ATOM 173 CB MET A 12 -2.258 12.217 0.024 1.00 0.00 C ATOM 174 CG MET A 12 -2.294 10.701 -0.187 1.00 0.00 C ATOM 175 SD MET A 12 -2.940 10.156 -1.787 1.00 0.00 S ATOM 176 CE MET A 12 -1.518 10.506 -2.847 1.00 0.00 C ATOM 0 H MET A 12 -4.349 12.406 -1.438 1.00 0.00 H new ATOM 0 HA MET A 12 -3.856 12.377 1.430 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.945 12.695 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.502 12.451 0.774 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.283 10.311 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.901 10.256 0.602 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.746 10.209 -3.871 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.297 11.573 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.653 9.947 -2.491 1.00 0.00 H new ATOM 186 N THR A 13 -3.150 14.813 1.796 1.00 0.00 N ATOM 187 CA THR A 13 -2.933 16.226 2.065 1.00 0.00 C ATOM 188 C THR A 13 -1.490 16.603 1.724 1.00 0.00 C ATOM 189 O THR A 13 -1.258 17.646 1.114 1.00 0.00 O ATOM 190 CB THR A 13 -3.259 16.537 3.534 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.493 15.718 4.392 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.747 16.320 3.829 1.00 0.00 C ATOM 0 H THR A 13 -3.034 14.219 2.617 1.00 0.00 H new ATOM 0 HA THR A 13 -3.597 16.822 1.439 1.00 0.00 H new ATOM 0 HB THR A 13 -3.014 17.584 3.711 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.599 14.780 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.947 16.548 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.343 16.976 3.194 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.010 15.282 3.627 1.00 0.00 H new ATOM 200 N CYS A 14 -0.525 15.761 2.118 1.00 0.00 N ATOM 201 CA CYS A 14 0.900 16.024 1.944 1.00 0.00 C ATOM 202 C CYS A 14 1.698 14.724 2.119 1.00 0.00 C ATOM 203 O CYS A 14 1.122 13.650 2.294 1.00 0.00 O ATOM 204 CB CYS A 14 1.348 17.097 2.951 1.00 0.00 C ATOM 205 SG CYS A 14 1.371 16.460 4.638 1.00 0.00 S ATOM 0 H CYS A 14 -0.720 14.868 2.572 1.00 0.00 H new ATOM 0 HA CYS A 14 1.088 16.397 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.342 17.455 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.675 17.953 2.894 1.00 0.00 H new ATOM 0 HG CYS A 14 1.757 17.398 5.451 1.00 0.00 H new ATOM 210 N ASN A 15 3.031 14.832 2.078 1.00 0.00 N ATOM 211 CA ASN A 15 3.967 13.714 2.153 1.00 0.00 C ATOM 212 C ASN A 15 3.875 12.914 3.459 1.00 0.00 C ATOM 213 O ASN A 15 4.199 11.728 3.459 1.00 0.00 O ATOM 214 CB ASN A 15 5.395 14.231 1.938 1.00 0.00 C ATOM 215 CG ASN A 15 5.831 15.181 3.052 1.00 0.00 C ATOM 216 OD1 ASN A 15 5.534 16.372 3.001 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.531 14.660 4.062 1.00 0.00 N ATOM 0 H ASN A 15 3.500 15.733 1.989 1.00 0.00 H new ATOM 0 HA ASN A 15 3.691 13.017 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.083 13.387 1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.454 14.745 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.840 15.257 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.757 13.665 4.066 1.00 0.00 H new ATOM 224 N SER A 16 3.451 13.539 4.567 1.00 0.00 N ATOM 225 CA SER A 16 3.327 12.862 5.854 1.00 0.00 C ATOM 226 C SER A 16 2.360 11.678 5.773 1.00 0.00 C ATOM 227 O SER A 16 2.563 10.673 6.450 1.00 0.00 O ATOM 228 CB SER A 16 2.910 13.846 6.952 1.00 0.00 C ATOM 229 OG SER A 16 1.572 14.268 6.789 1.00 0.00 O ATOM 0 H SER A 16 3.187 14.524 4.590 1.00 0.00 H new ATOM 0 HA SER A 16 4.307 12.464 6.115 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.028 13.375 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.571 14.713 6.935 1.00 0.00 H new ATOM 0 HG SER A 16 1.540 15.020 6.161 1.00 0.00 H new ATOM 235 N CYS A 17 1.317 11.795 4.939 1.00 0.00 N ATOM 236 CA CYS A 17 0.374 10.717 4.689 1.00 0.00 C ATOM 237 C CYS A 17 1.111 9.521 4.094 1.00 0.00 C ATOM 238 O CYS A 17 1.051 8.429 4.647 1.00 0.00 O ATOM 239 CB CYS A 17 -0.729 11.185 3.738 1.00 0.00 C ATOM 240 SG CYS A 17 -1.725 12.575 4.326 1.00 0.00 S ATOM 0 H CYS A 17 1.110 12.649 4.420 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.087 10.421 5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.272 11.464 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.393 10.344 3.537 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.749 12.125 4.989 1.00 0.00 H new ATOM 245 N VAL A 18 1.814 9.737 2.977 1.00 0.00 N ATOM 246 CA VAL A 18 2.594 8.724 2.276 1.00 0.00 C ATOM 247 C VAL A 18 3.581 8.036 3.223 1.00 0.00 C ATOM 248 O VAL A 18 3.658 6.808 3.242 1.00 0.00 O ATOM 249 CB VAL A 18 3.265 9.379 1.055 1.00 0.00 C ATOM 250 CG1 VAL A 18 4.376 8.519 0.448 1.00 0.00 C ATOM 251 CG2 VAL A 18 2.190 9.645 -0.007 1.00 0.00 C ATOM 0 H VAL A 18 1.854 10.651 2.526 1.00 0.00 H new ATOM 0 HA VAL A 18 1.946 7.927 1.912 1.00 0.00 H new ATOM 0 HB VAL A 18 3.732 10.305 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.809 9.036 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.150 8.344 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.961 7.564 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.648 10.109 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.726 8.703 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.431 10.312 0.402 1.00 0.00 H new ATOM 261 N GLN A 19 4.316 8.824 4.016 1.00 0.00 N ATOM 262 CA GLN A 19 5.239 8.324 5.025 1.00 0.00 C ATOM 263 C GLN A 19 4.515 7.402 6.011 1.00 0.00 C ATOM 264 O GLN A 19 4.956 6.275 6.234 1.00 0.00 O ATOM 265 CB GLN A 19 5.914 9.521 5.713 1.00 0.00 C ATOM 266 CG GLN A 19 6.921 9.126 6.804 1.00 0.00 C ATOM 267 CD GLN A 19 6.248 8.766 8.129 1.00 0.00 C ATOM 268 OE1 GLN A 19 5.540 9.585 8.711 1.00 0.00 O ATOM 269 NE2 GLN A 19 6.462 7.541 8.614 1.00 0.00 N ATOM 0 H GLN A 19 4.281 9.842 3.969 1.00 0.00 H new ATOM 0 HA GLN A 19 6.017 7.718 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.426 10.119 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.145 10.155 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.510 8.276 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.616 9.950 6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.056 6.887 8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.032 7.259 9.495 1.00 0.00 H new ATOM 278 N SER A 20 3.412 7.880 6.600 1.00 0.00 N ATOM 279 CA SER A 20 2.641 7.148 7.596 1.00 0.00 C ATOM 280 C SER A 20 2.127 5.820 7.034 1.00 0.00 C ATOM 281 O SER A 20 2.331 4.775 7.648 1.00 0.00 O ATOM 282 CB SER A 20 1.496 8.029 8.106 1.00 0.00 C ATOM 283 OG SER A 20 0.775 7.358 9.117 1.00 0.00 O ATOM 0 H SER A 20 3.029 8.802 6.390 1.00 0.00 H new ATOM 0 HA SER A 20 3.290 6.902 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.894 8.966 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.829 8.284 7.282 1.00 0.00 H new ATOM 0 HG SER A 20 0.047 7.932 9.436 1.00 0.00 H new ATOM 289 N ILE A 21 1.474 5.864 5.865 1.00 0.00 N ATOM 290 CA ILE A 21 0.950 4.700 5.161 1.00 0.00 C ATOM 291 C ILE A 21 2.062 3.661 4.990 1.00 0.00 C ATOM 292 O ILE A 21 1.886 2.506 5.372 1.00 0.00 O ATOM 293 CB ILE A 21 0.354 5.129 3.804 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.890 6.022 3.984 1.00 0.00 C ATOM 295 CG2 ILE A 21 -0.033 3.901 2.968 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.182 6.835 2.716 1.00 0.00 C ATOM 0 H ILE A 21 1.294 6.740 5.374 1.00 0.00 H new ATOM 0 HA ILE A 21 0.149 4.244 5.743 1.00 0.00 H new ATOM 0 HB ILE A 21 1.125 5.700 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.753 5.402 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.736 6.698 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.451 4.226 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.852 3.291 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.775 3.313 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.065 7.454 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.328 7.473 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.361 6.156 1.882 1.00 0.00 H new ATOM 308 N GLU A 22 3.203 4.078 4.425 1.00 0.00 N ATOM 309 CA GLU A 22 4.353 3.213 4.203 1.00 0.00 C ATOM 310 C GLU A 22 4.786 2.543 5.509 1.00 0.00 C ATOM 311 O GLU A 22 4.894 1.320 5.561 1.00 0.00 O ATOM 312 CB GLU A 22 5.487 4.026 3.565 1.00 0.00 C ATOM 313 CG GLU A 22 6.639 3.128 3.104 1.00 0.00 C ATOM 314 CD GLU A 22 7.644 3.915 2.268 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.383 4.061 1.054 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.652 4.361 2.858 1.00 0.00 O ATOM 0 H GLU A 22 3.348 5.037 4.108 1.00 0.00 H new ATOM 0 HA GLU A 22 4.082 2.412 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.099 4.586 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.860 4.756 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.140 2.698 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.245 2.297 2.519 1.00 0.00 H new ATOM 323 N GLY A 23 5.016 3.344 6.556 1.00 0.00 N ATOM 324 CA GLY A 23 5.443 2.880 7.868 1.00 0.00 C ATOM 325 C GLY A 23 4.510 1.809 8.436 1.00 0.00 C ATOM 326 O GLY A 23 4.972 0.745 8.842 1.00 0.00 O ATOM 0 H GLY A 23 4.906 4.357 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.454 2.478 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.483 3.725 8.555 1.00 0.00 H new ATOM 330 N VAL A 24 3.202 2.090 8.460 1.00 0.00 N ATOM 331 CA VAL A 24 2.187 1.175 8.966 1.00 0.00 C ATOM 332 C VAL A 24 2.216 -0.141 8.184 1.00 0.00 C ATOM 333 O VAL A 24 2.299 -1.211 8.786 1.00 0.00 O ATOM 334 CB VAL A 24 0.806 1.859 8.930 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.334 0.873 9.220 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.743 2.978 9.979 1.00 0.00 C ATOM 0 H VAL A 24 2.819 2.973 8.122 1.00 0.00 H new ATOM 0 HA VAL A 24 2.400 0.925 10.005 1.00 0.00 H new ATOM 0 HB VAL A 24 0.680 2.260 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.288 1.399 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.328 0.080 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.196 0.439 10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.237 3.454 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.907 2.557 10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.514 3.719 9.767 1.00 0.00 H new ATOM 346 N ILE A 25 2.150 -0.066 6.849 1.00 0.00 N ATOM 347 CA ILE A 25 2.090 -1.243 5.991 1.00 0.00 C ATOM 348 C ILE A 25 3.350 -2.108 6.133 1.00 0.00 C ATOM 349 O ILE A 25 3.237 -3.332 6.125 1.00 0.00 O ATOM 350 CB ILE A 25 1.773 -0.837 4.539 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.348 -0.254 4.471 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.864 -2.051 3.605 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.002 0.299 3.088 1.00 0.00 C ATOM 0 H ILE A 25 2.137 0.817 6.338 1.00 0.00 H new ATOM 0 HA ILE A 25 1.268 -1.879 6.319 1.00 0.00 H new ATOM 0 HB ILE A 25 2.501 -0.091 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.370 -1.029 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.250 0.541 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.637 -1.743 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.872 -2.465 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.148 -2.809 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.017 0.696 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.695 1.095 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.066 -0.499 2.349 1.00 0.00 H new ATOM 365 N SER A 26 4.534 -1.496 6.283 1.00 0.00 N ATOM 366 CA SER A 26 5.793 -2.217 6.477 1.00 0.00 C ATOM 367 C SER A 26 5.729 -3.237 7.621 1.00 0.00 C ATOM 368 O SER A 26 6.429 -4.246 7.572 1.00 0.00 O ATOM 369 CB SER A 26 6.945 -1.238 6.733 1.00 0.00 C ATOM 370 OG SER A 26 7.143 -0.384 5.629 1.00 0.00 O ATOM 0 H SER A 26 4.642 -0.482 6.273 1.00 0.00 H new ATOM 0 HA SER A 26 5.971 -2.769 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.730 -0.644 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.860 -1.794 6.935 1.00 0.00 H new ATOM 0 HG SER A 26 6.386 0.234 5.554 1.00 0.00 H new ATOM 376 N LYS A 27 4.901 -2.983 8.644 1.00 0.00 N ATOM 377 CA LYS A 27 4.817 -3.817 9.837 1.00 0.00 C ATOM 378 C LYS A 27 3.790 -4.949 9.689 1.00 0.00 C ATOM 379 O LYS A 27 3.732 -5.818 10.557 1.00 0.00 O ATOM 380 CB LYS A 27 4.470 -2.934 11.045 1.00 0.00 C ATOM 381 CG LYS A 27 5.575 -1.906 11.325 1.00 0.00 C ATOM 382 CD LYS A 27 5.279 -1.058 12.569 1.00 0.00 C ATOM 383 CE LYS A 27 4.129 -0.071 12.339 1.00 0.00 C ATOM 384 NZ LYS A 27 3.915 0.783 13.518 1.00 0.00 N ATOM 0 H LYS A 27 4.267 -2.184 8.660 1.00 0.00 H new ATOM 0 HA LYS A 27 5.787 -4.292 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.528 -2.417 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.323 -3.560 11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.525 -2.424 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.687 -1.252 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.030 -1.714 13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.176 -0.508 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.349 0.551 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.215 -0.620 12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.131 1.440 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.682 0.189 14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.781 1.324 13.717 1.00 0.00 H new ATOM 398 N LYS A 28 2.986 -4.963 8.617 1.00 0.00 N ATOM 399 CA LYS A 28 1.982 -6.000 8.412 1.00 0.00 C ATOM 400 C LYS A 28 2.654 -7.315 7.995 1.00 0.00 C ATOM 401 O LYS A 28 3.574 -7.293 7.177 1.00 0.00 O ATOM 402 CB LYS A 28 0.977 -5.568 7.339 1.00 0.00 C ATOM 403 CG LYS A 28 0.156 -4.356 7.783 1.00 0.00 C ATOM 404 CD LYS A 28 -0.810 -3.966 6.660 1.00 0.00 C ATOM 405 CE LYS A 28 -1.604 -2.706 7.012 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.529 -2.932 8.135 1.00 0.00 N ATOM 0 H LYS A 28 3.017 -4.261 7.878 1.00 0.00 H new ATOM 0 HA LYS A 28 1.450 -6.154 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.509 -5.329 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.307 -6.398 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.399 -4.590 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.816 -3.521 8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.250 -3.799 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.499 -4.789 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.914 -1.902 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.167 -2.377 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.095 -2.075 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.161 -3.727 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.985 -3.155 8.993 1.00 0.00 H new ATOM 420 N PRO A 29 2.208 -8.464 8.531 1.00 0.00 N ATOM 421 CA PRO A 29 2.778 -9.760 8.204 1.00 0.00 C ATOM 422 C PRO A 29 2.488 -10.087 6.740 1.00 0.00 C ATOM 423 O PRO A 29 1.355 -9.947 6.283 1.00 0.00 O ATOM 424 CB PRO A 29 2.117 -10.757 9.158 1.00 0.00 C ATOM 425 CG PRO A 29 0.765 -10.111 9.460 1.00 0.00 C ATOM 426 CD PRO A 29 1.086 -8.616 9.444 1.00 0.00 C ATOM 0 HA PRO A 29 3.861 -9.788 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.000 -11.738 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.707 -10.899 10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.017 -10.371 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.373 -10.429 10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.227 -8.035 9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.342 -8.260 10.442 1.00 0.00 H new ATOM 434 N GLY A 30 3.527 -10.503 6.010 1.00 0.00 N ATOM 435 CA GLY A 30 3.457 -10.761 4.582 1.00 0.00 C ATOM 436 C GLY A 30 4.217 -9.709 3.789 1.00 0.00 C ATOM 437 O GLY A 30 4.868 -10.060 2.808 1.00 0.00 O ATOM 0 H GLY A 30 4.451 -10.670 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.869 -11.747 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.414 -10.775 4.264 1.00 0.00 H new ATOM 441 N VAL A 31 4.136 -8.434 4.197 1.00 0.00 N ATOM 442 CA VAL A 31 4.780 -7.338 3.485 1.00 0.00 C ATOM 443 C VAL A 31 6.299 -7.485 3.573 1.00 0.00 C ATOM 444 O VAL A 31 6.836 -7.779 4.640 1.00 0.00 O ATOM 445 CB VAL A 31 4.301 -5.981 4.026 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.030 -4.824 3.327 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.791 -5.839 3.795 1.00 0.00 C ATOM 0 H VAL A 31 3.622 -8.142 5.028 1.00 0.00 H new ATOM 0 HA VAL A 31 4.499 -7.378 2.433 1.00 0.00 H new ATOM 0 HB VAL A 31 4.522 -5.940 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.674 -3.875 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.102 -4.912 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.832 -4.863 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.453 -4.877 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.579 -5.898 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.266 -6.641 4.314 1.00 0.00 H new ATOM 457 N LYS A 32 6.974 -7.281 2.436 1.00 0.00 N ATOM 458 CA LYS A 32 8.416 -7.386 2.292 1.00 0.00 C ATOM 459 C LYS A 32 8.967 -5.980 2.040 1.00 0.00 C ATOM 460 O LYS A 32 9.118 -5.215 2.991 1.00 0.00 O ATOM 461 CB LYS A 32 8.747 -8.409 1.191 1.00 0.00 C ATOM 462 CG LYS A 32 8.100 -9.764 1.512 1.00 0.00 C ATOM 463 CD LYS A 32 8.551 -10.854 0.535 1.00 0.00 C ATOM 464 CE LYS A 32 7.705 -12.126 0.692 1.00 0.00 C ATOM 465 NZ LYS A 32 7.765 -12.672 2.058 1.00 0.00 N ATOM 0 H LYS A 32 6.507 -7.030 1.565 1.00 0.00 H new ATOM 0 HA LYS A 32 8.898 -7.762 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.388 -8.046 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.827 -8.525 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.358 -10.058 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.015 -9.667 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.471 -10.485 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.601 -11.089 0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.669 -11.904 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.053 -12.880 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.263 -13.582 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.758 -12.814 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.316 -12.006 2.718 1.00 0.00 H new ATOM 479 N SER A 33 9.252 -5.627 0.781 1.00 0.00 N ATOM 480 CA SER A 33 9.639 -4.280 0.386 1.00 0.00 C ATOM 481 C SER A 33 8.391 -3.474 0.016 1.00 0.00 C ATOM 482 O SER A 33 7.366 -4.041 -0.364 1.00 0.00 O ATOM 483 CB SER A 33 10.636 -4.351 -0.775 1.00 0.00 C ATOM 484 OG SER A 33 10.112 -5.140 -1.820 1.00 0.00 O ATOM 0 H SER A 33 9.218 -6.284 0.001 1.00 0.00 H new ATOM 0 HA SER A 33 10.130 -3.772 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.852 -3.347 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.579 -4.773 -0.429 1.00 0.00 H new ATOM 0 HG SER A 33 10.144 -4.635 -2.659 1.00 0.00 H new ATOM 490 N ILE A 34 8.478 -2.144 0.139 1.00 0.00 N ATOM 491 CA ILE A 34 7.387 -1.236 -0.178 1.00 0.00 C ATOM 492 C ILE A 34 7.934 0.116 -0.640 1.00 0.00 C ATOM 493 O ILE A 34 8.969 0.569 -0.154 1.00 0.00 O ATOM 494 CB ILE A 34 6.432 -1.105 1.026 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.282 -0.140 0.688 1.00 0.00 C ATOM 496 CG2 ILE A 34 7.164 -0.653 2.300 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.149 -0.195 1.714 1.00 0.00 C ATOM 0 H ILE A 34 9.320 -1.670 0.466 1.00 0.00 H new ATOM 0 HA ILE A 34 6.807 -1.645 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 34 6.020 -2.094 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.670 0.877 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.887 -0.383 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.451 -0.575 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.933 -1.382 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.627 0.318 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.364 0.505 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.739 -1.204 1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.535 0.075 2.697 1.00 0.00 H new ATOM 509 N ARG A 35 7.215 0.754 -1.571 1.00 0.00 N ATOM 510 CA ARG A 35 7.433 2.128 -1.991 1.00 0.00 C ATOM 511 C ARG A 35 6.063 2.777 -2.188 1.00 0.00 C ATOM 512 O ARG A 35 5.369 2.468 -3.155 1.00 0.00 O ATOM 513 CB ARG A 35 8.286 2.162 -3.270 1.00 0.00 C ATOM 514 CG ARG A 35 8.303 3.527 -3.979 1.00 0.00 C ATOM 515 CD ARG A 35 8.739 4.689 -3.079 1.00 0.00 C ATOM 516 NE ARG A 35 8.613 5.966 -3.792 1.00 0.00 N ATOM 517 CZ ARG A 35 8.673 7.179 -3.219 1.00 0.00 C ATOM 518 NH1 ARG A 35 8.919 7.311 -1.908 1.00 0.00 N ATOM 519 NH2 ARG A 35 8.481 8.273 -3.968 1.00 0.00 N ATOM 0 H ARG A 35 6.442 0.307 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 35 7.985 2.688 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.309 1.883 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.911 1.409 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.975 3.472 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.306 3.736 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.127 4.707 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.771 4.543 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 35 8.469 5.929 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.064 6.483 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.961 8.240 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.291 8.181 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.525 9.198 -3.540 1.00 0.00 H new ATOM 533 N VAL A 36 5.685 3.680 -1.276 1.00 0.00 N ATOM 534 CA VAL A 36 4.518 4.537 -1.424 1.00 0.00 C ATOM 535 C VAL A 36 5.012 5.892 -1.931 1.00 0.00 C ATOM 536 O VAL A 36 5.965 6.440 -1.380 1.00 0.00 O ATOM 537 CB VAL A 36 3.742 4.655 -0.100 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.369 5.300 -0.333 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.512 3.285 0.549 1.00 0.00 C ATOM 0 H VAL A 36 6.193 3.833 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 36 3.814 4.112 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 36 4.349 5.273 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.836 5.374 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.502 6.297 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.792 4.688 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.961 3.412 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.938 2.653 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.473 2.815 0.757 1.00 0.00 H new ATOM 549 N SER A 37 4.377 6.411 -2.989 1.00 0.00 N ATOM 550 CA SER A 37 4.799 7.612 -3.694 1.00 0.00 C ATOM 551 C SER A 37 3.657 8.624 -3.740 1.00 0.00 C ATOM 552 O SER A 37 2.538 8.282 -4.119 1.00 0.00 O ATOM 553 CB SER A 37 5.232 7.225 -5.111 1.00 0.00 C ATOM 554 OG SER A 37 5.575 8.374 -5.859 1.00 0.00 O ATOM 0 H SER A 37 3.535 5.991 -3.383 1.00 0.00 H new ATOM 0 HA SER A 37 5.637 8.073 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.085 6.548 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.425 6.688 -5.609 1.00 0.00 H new ATOM 0 HG SER A 37 5.702 8.127 -6.799 1.00 0.00 H new ATOM 560 N LEU A 38 3.963 9.874 -3.370 1.00 0.00 N ATOM 561 CA LEU A 38 3.064 11.011 -3.503 1.00 0.00 C ATOM 562 C LEU A 38 2.958 11.390 -4.982 1.00 0.00 C ATOM 563 O LEU A 38 1.857 11.559 -5.503 1.00 0.00 O ATOM 564 CB LEU A 38 3.603 12.184 -2.663 1.00 0.00 C ATOM 565 CG LEU A 38 2.597 13.337 -2.493 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.479 12.977 -1.506 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.329 14.577 -1.969 1.00 0.00 C ATOM 0 H LEU A 38 4.864 10.121 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 38 2.069 10.758 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.887 11.814 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.508 12.570 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 38 2.149 13.531 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.790 13.817 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.939 12.103 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.912 12.755 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.619 15.395 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.788 14.349 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.102 14.870 -2.679 1.00 0.00 H new ATOM 579 N ALA A 39 4.115 11.509 -5.650 1.00 0.00 N ATOM 580 CA ALA A 39 4.234 11.888 -7.051 1.00 0.00 C ATOM 581 C ALA A 39 3.403 10.976 -7.954 1.00 0.00 C ATOM 582 O ALA A 39 2.666 11.465 -8.808 1.00 0.00 O ATOM 583 CB ALA A 39 5.709 11.861 -7.461 1.00 0.00 C ATOM 0 H ALA A 39 5.018 11.337 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 39 3.843 12.898 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.800 12.144 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.271 12.563 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.107 10.856 -7.321 1.00 0.00 H new ATOM 589 N ASN A 40 3.512 9.656 -7.756 1.00 0.00 N ATOM 590 CA ASN A 40 2.767 8.672 -8.534 1.00 0.00 C ATOM 591 C ASN A 40 1.409 8.360 -7.894 1.00 0.00 C ATOM 592 O ASN A 40 0.603 7.665 -8.510 1.00 0.00 O ATOM 593 CB ASN A 40 3.599 7.394 -8.695 1.00 0.00 C ATOM 594 CG ASN A 40 4.972 7.672 -9.300 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.983 7.605 -8.604 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.014 7.987 -10.596 1.00 0.00 N ATOM 0 H ASN A 40 4.122 9.245 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 40 2.572 9.094 -9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.722 6.918 -7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.061 6.689 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.909 8.183 -11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.151 8.032 -11.138 1.00 0.00 H new ATOM 603 N SER A 41 1.149 8.874 -6.681 1.00 0.00 N ATOM 604 CA SER A 41 -0.118 8.754 -5.971 1.00 0.00 C ATOM 605 C SER A 41 -0.552 7.292 -5.860 1.00 0.00 C ATOM 606 O SER A 41 -1.659 6.930 -6.256 1.00 0.00 O ATOM 607 CB SER A 41 -1.174 9.647 -6.641 1.00 0.00 C ATOM 608 OG SER A 41 -0.805 11.005 -6.516 1.00 0.00 O ATOM 0 H SER A 41 1.846 9.402 -6.156 1.00 0.00 H new ATOM 0 HA SER A 41 0.004 9.106 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.271 9.383 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.148 9.482 -6.180 1.00 0.00 H new ATOM 0 HG SER A 41 0.090 11.066 -6.121 1.00 0.00 H new ATOM 614 N ASN A 42 0.337 6.448 -5.325 1.00 0.00 N ATOM 615 CA ASN A 42 0.105 5.015 -5.242 1.00 0.00 C ATOM 616 C ASN A 42 0.982 4.356 -4.179 1.00 0.00 C ATOM 617 O ASN A 42 1.896 4.979 -3.638 1.00 0.00 O ATOM 618 CB ASN A 42 0.274 4.359 -6.624 1.00 0.00 C ATOM 619 CG ASN A 42 1.693 4.438 -7.191 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.626 4.889 -6.531 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.861 3.994 -8.438 1.00 0.00 N ATOM 0 H ASN A 42 1.234 6.745 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.926 4.859 -4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.018 3.311 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.412 4.835 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.785 4.023 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.066 3.625 -8.960 1.00 0.00 H new ATOM 628 N GLY A 43 0.678 3.085 -3.898 1.00 0.00 N ATOM 629 CA GLY A 43 1.367 2.218 -2.964 1.00 0.00 C ATOM 630 C GLY A 43 1.803 0.958 -3.701 1.00 0.00 C ATOM 631 O GLY A 43 0.966 0.113 -4.012 1.00 0.00 O ATOM 0 H GLY A 43 -0.106 2.614 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.233 2.728 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.712 1.962 -2.132 1.00 0.00 H new ATOM 635 N THR A 44 3.109 0.834 -3.962 1.00 0.00 N ATOM 636 CA THR A 44 3.702 -0.301 -4.651 1.00 0.00 C ATOM 637 C THR A 44 4.267 -1.220 -3.573 1.00 0.00 C ATOM 638 O THR A 44 5.372 -0.999 -3.078 1.00 0.00 O ATOM 639 CB THR A 44 4.781 0.187 -5.631 1.00 0.00 C ATOM 640 OG1 THR A 44 4.201 1.090 -6.551 1.00 0.00 O ATOM 641 CG2 THR A 44 5.407 -0.981 -6.401 1.00 0.00 C ATOM 0 H THR A 44 3.793 1.540 -3.691 1.00 0.00 H new ATOM 0 HA THR A 44 2.971 -0.846 -5.248 1.00 0.00 H new ATOM 0 HB THR A 44 5.566 0.678 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.886 1.405 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.166 -0.601 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.867 -1.675 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.634 -1.499 -6.968 1.00 0.00 H new ATOM 649 N VAL A 45 3.476 -2.233 -3.199 1.00 0.00 N ATOM 650 CA VAL A 45 3.748 -3.124 -2.082 1.00 0.00 C ATOM 651 C VAL A 45 4.115 -4.502 -2.626 1.00 0.00 C ATOM 652 O VAL A 45 3.357 -5.058 -3.419 1.00 0.00 O ATOM 653 CB VAL A 45 2.504 -3.228 -1.177 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.864 -3.951 0.128 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.902 -1.856 -0.845 1.00 0.00 C ATOM 0 H VAL A 45 2.606 -2.455 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 45 4.576 -2.731 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 45 1.755 -3.794 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.980 -4.020 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.227 -4.953 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.642 -3.394 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.029 -1.987 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.644 -1.249 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.605 -1.356 -1.767 1.00 0.00 H new ATOM 665 N GLU A 46 5.257 -5.050 -2.189 1.00 0.00 N ATOM 666 CA GLU A 46 5.630 -6.437 -2.430 1.00 0.00 C ATOM 667 C GLU A 46 5.257 -7.219 -1.173 1.00 0.00 C ATOM 668 O GLU A 46 5.580 -6.787 -0.067 1.00 0.00 O ATOM 669 CB GLU A 46 7.121 -6.554 -2.762 1.00 0.00 C ATOM 670 CG GLU A 46 7.429 -5.842 -4.085 1.00 0.00 C ATOM 671 CD GLU A 46 8.880 -6.026 -4.519 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.286 -7.199 -4.669 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.561 -4.992 -4.696 1.00 0.00 O ATOM 0 H GLU A 46 5.951 -4.530 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 46 5.102 -6.843 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.715 -6.117 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.404 -7.604 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.768 -6.225 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.216 -4.778 -3.980 1.00 0.00 H new ATOM 680 N TYR A 47 4.553 -8.346 -1.337 1.00 0.00 N ATOM 681 CA TYR A 47 3.933 -9.067 -0.236 1.00 0.00 C ATOM 682 C TYR A 47 3.845 -10.570 -0.507 1.00 0.00 C ATOM 683 O TYR A 47 4.090 -11.023 -1.625 1.00 0.00 O ATOM 684 CB TYR A 47 2.529 -8.491 0.002 1.00 0.00 C ATOM 685 CG TYR A 47 1.547 -8.818 -1.110 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.581 -8.095 -2.317 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.619 -9.864 -0.954 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.773 -8.487 -3.396 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.195 -10.249 -2.032 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.094 -9.583 -3.264 1.00 0.00 C ATOM 691 OH TYR A 47 -0.836 -10.002 -4.329 1.00 0.00 O ATOM 0 H TYR A 47 4.401 -8.780 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 47 4.554 -8.940 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.141 -8.877 0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.601 -7.408 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.230 -7.237 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.532 -10.371 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.819 -7.945 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.900 -11.059 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.381 -10.772 -4.065 1.00 0.00 H new ATOM 701 N ASP A 48 3.466 -11.325 0.534 1.00 0.00 N ATOM 702 CA ASP A 48 3.190 -12.753 0.474 1.00 0.00 C ATOM 703 C ASP A 48 1.670 -12.986 0.555 1.00 0.00 C ATOM 704 O ASP A 48 1.080 -12.701 1.598 1.00 0.00 O ATOM 705 CB ASP A 48 3.920 -13.463 1.623 1.00 0.00 C ATOM 706 CG ASP A 48 3.979 -14.976 1.417 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.920 -15.558 1.097 1.00 0.00 O ATOM 708 OD2 ASP A 48 5.088 -15.529 1.583 1.00 0.00 O ATOM 0 H ASP A 48 3.341 -10.938 1.469 1.00 0.00 H new ATOM 0 HA ASP A 48 3.551 -13.164 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.933 -13.069 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.414 -13.245 2.563 1.00 0.00 H new ATOM 713 N PRO A 49 1.036 -13.512 -0.512 1.00 0.00 N ATOM 714 CA PRO A 49 -0.375 -13.894 -0.559 1.00 0.00 C ATOM 715 C PRO A 49 -0.890 -14.664 0.660 1.00 0.00 C ATOM 716 O PRO A 49 -2.038 -14.481 1.060 1.00 0.00 O ATOM 717 CB PRO A 49 -0.529 -14.735 -1.825 1.00 0.00 C ATOM 718 CG PRO A 49 0.495 -14.101 -2.756 1.00 0.00 C ATOM 719 CD PRO A 49 1.646 -13.762 -1.810 1.00 0.00 C ATOM 0 HA PRO A 49 -0.979 -12.987 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.317 -15.788 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.539 -14.679 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.807 -14.788 -3.543 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.100 -13.212 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.360 -14.583 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.194 -12.887 -2.159 1.00 0.00 H new ATOM 727 N LEU A 50 -0.054 -15.533 1.240 1.00 0.00 N ATOM 728 CA LEU A 50 -0.439 -16.391 2.353 1.00 0.00 C ATOM 729 C LEU A 50 -0.772 -15.583 3.612 1.00 0.00 C ATOM 730 O LEU A 50 -1.619 -16.009 4.395 1.00 0.00 O ATOM 731 CB LEU A 50 0.682 -17.399 2.649 1.00 0.00 C ATOM 732 CG LEU A 50 1.068 -18.287 1.451 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.283 -19.139 1.831 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.083 -19.204 1.022 1.00 0.00 C ATOM 0 H LEU A 50 0.914 -15.657 0.944 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.343 -16.926 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.566 -16.855 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.371 -18.038 3.475 1.00 0.00 H new ATOM 0 HG LEU A 50 1.303 -17.635 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.562 -19.771 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.118 -18.487 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.034 -19.766 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.233 -19.812 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.359 -19.854 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.942 -18.599 0.734 1.00 0.00 H new ATOM 746 N LEU A 51 -0.103 -14.439 3.815 1.00 0.00 N ATOM 747 CA LEU A 51 -0.181 -13.655 5.043 1.00 0.00 C ATOM 748 C LEU A 51 -0.965 -12.351 4.854 1.00 0.00 C ATOM 749 O LEU A 51 -1.585 -11.882 5.808 1.00 0.00 O ATOM 750 CB LEU A 51 1.237 -13.392 5.563 1.00 0.00 C ATOM 751 CG LEU A 51 2.028 -14.669 5.901 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.449 -14.285 6.330 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.371 -15.481 7.024 1.00 0.00 C ATOM 0 H LEU A 51 0.516 -14.031 3.115 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.735 -14.230 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.788 -12.824 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.176 -12.768 6.455 1.00 0.00 H new ATOM 0 HG LEU A 51 2.045 -15.291 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.013 -15.186 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.944 -13.754 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.402 -13.641 7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.966 -16.372 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.312 -14.872 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.367 -15.777 6.720 1.00 0.00 H new ATOM 765 N THR A 52 -0.959 -11.765 3.649 1.00 0.00 N ATOM 766 CA THR A 52 -1.773 -10.596 3.321 1.00 0.00 C ATOM 767 C THR A 52 -2.171 -10.645 1.843 1.00 0.00 C ATOM 768 O THR A 52 -1.736 -11.538 1.122 1.00 0.00 O ATOM 769 CB THR A 52 -1.033 -9.302 3.703 1.00 0.00 C ATOM 770 OG1 THR A 52 -1.917 -8.201 3.664 1.00 0.00 O ATOM 771 CG2 THR A 52 0.159 -9.017 2.787 1.00 0.00 C ATOM 0 H THR A 52 -0.385 -12.094 2.873 1.00 0.00 H new ATOM 0 HA THR A 52 -2.694 -10.607 3.904 1.00 0.00 H new ATOM 0 HB THR A 52 -0.654 -9.446 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.434 -7.385 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.646 -8.093 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.870 -9.841 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.189 -8.914 1.759 1.00 0.00 H new ATOM 779 N SER A 53 -3.003 -9.697 1.394 1.00 0.00 N ATOM 780 CA SER A 53 -3.543 -9.671 0.039 1.00 0.00 C ATOM 781 C SER A 53 -3.729 -8.223 -0.433 1.00 0.00 C ATOM 782 O SER A 53 -3.748 -7.318 0.402 1.00 0.00 O ATOM 783 CB SER A 53 -4.874 -10.437 0.011 1.00 0.00 C ATOM 784 OG SER A 53 -5.908 -9.674 0.601 1.00 0.00 O ATOM 0 H SER A 53 -3.321 -8.919 1.973 1.00 0.00 H new ATOM 0 HA SER A 53 -2.844 -10.155 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.137 -10.679 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.765 -11.382 0.543 1.00 0.00 H new ATOM 0 HG SER A 53 -6.746 -10.181 0.571 1.00 0.00 H new ATOM 790 N PRO A 54 -3.890 -7.984 -1.748 1.00 0.00 N ATOM 791 CA PRO A 54 -4.212 -6.671 -2.293 1.00 0.00 C ATOM 792 C PRO A 54 -5.431 -6.051 -1.611 1.00 0.00 C ATOM 793 O PRO A 54 -5.428 -4.861 -1.312 1.00 0.00 O ATOM 794 CB PRO A 54 -4.466 -6.890 -3.788 1.00 0.00 C ATOM 795 CG PRO A 54 -3.622 -8.122 -4.097 1.00 0.00 C ATOM 796 CD PRO A 54 -3.805 -8.953 -2.830 1.00 0.00 C ATOM 0 HA PRO A 54 -3.396 -5.969 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.522 -7.060 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.157 -6.029 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.975 -8.647 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.577 -7.868 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.707 -9.562 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.968 -9.636 -2.682 1.00 0.00 H new ATOM 804 N GLU A 55 -6.465 -6.864 -1.365 1.00 0.00 N ATOM 805 CA GLU A 55 -7.706 -6.427 -0.747 1.00 0.00 C ATOM 806 C GLU A 55 -7.494 -6.030 0.716 1.00 0.00 C ATOM 807 O GLU A 55 -8.077 -5.046 1.166 1.00 0.00 O ATOM 808 CB GLU A 55 -8.774 -7.518 -0.882 1.00 0.00 C ATOM 809 CG GLU A 55 -9.028 -7.857 -2.357 1.00 0.00 C ATOM 810 CD GLU A 55 -10.315 -8.657 -2.525 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.235 -9.899 -2.400 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.356 -8.010 -2.772 1.00 0.00 O ATOM 0 H GLU A 55 -6.455 -7.857 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.055 -5.537 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.454 -8.413 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.701 -7.184 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.090 -6.937 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.188 -8.428 -2.752 1.00 0.00 H new ATOM 819 N THR A 56 -6.665 -6.777 1.457 1.00 0.00 N ATOM 820 CA THR A 56 -6.321 -6.446 2.836 1.00 0.00 C ATOM 821 C THR A 56 -5.613 -5.088 2.888 1.00 0.00 C ATOM 822 O THR A 56 -5.993 -4.219 3.670 1.00 0.00 O ATOM 823 CB THR A 56 -5.442 -7.549 3.447 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.060 -8.808 3.285 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.198 -7.308 4.941 1.00 0.00 C ATOM 0 H THR A 56 -6.217 -7.626 1.113 1.00 0.00 H new ATOM 0 HA THR A 56 -7.236 -6.379 3.425 1.00 0.00 H new ATOM 0 HB THR A 56 -4.485 -7.530 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.954 -9.108 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.573 -8.106 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.695 -6.351 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.152 -7.295 5.468 1.00 0.00 H new ATOM 833 N LEU A 57 -4.586 -4.918 2.047 1.00 0.00 N ATOM 834 CA LEU A 57 -3.789 -3.702 1.961 1.00 0.00 C ATOM 835 C LEU A 57 -4.669 -2.505 1.582 1.00 0.00 C ATOM 836 O LEU A 57 -4.603 -1.461 2.228 1.00 0.00 O ATOM 837 CB LEU A 57 -2.659 -3.915 0.943 1.00 0.00 C ATOM 838 CG LEU A 57 -1.627 -4.968 1.389 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.796 -5.418 0.182 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.692 -4.410 2.466 1.00 0.00 C ATOM 0 H LEU A 57 -4.284 -5.642 1.395 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.349 -3.482 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.091 -4.221 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.150 -2.967 0.773 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.169 -5.815 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.067 -6.163 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.454 -5.852 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.276 -4.559 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.024 -5.178 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.157 -3.546 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.277 -4.109 3.335 1.00 0.00 H new ATOM 852 N ARG A 58 -5.503 -2.667 0.548 1.00 0.00 N ATOM 853 CA ARG A 58 -6.483 -1.680 0.112 1.00 0.00 C ATOM 854 C ARG A 58 -7.383 -1.274 1.281 1.00 0.00 C ATOM 855 O ARG A 58 -7.546 -0.086 1.551 1.00 0.00 O ATOM 856 CB ARG A 58 -7.303 -2.277 -1.039 1.00 0.00 C ATOM 857 CG ARG A 58 -8.350 -1.308 -1.603 1.00 0.00 C ATOM 858 CD ARG A 58 -9.229 -2.011 -2.640 1.00 0.00 C ATOM 859 NE ARG A 58 -9.999 -3.101 -2.023 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.461 -4.197 -2.649 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.286 -4.372 -3.967 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.106 -5.132 -1.940 1.00 0.00 N ATOM 0 H ARG A 58 -5.511 -3.514 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.977 -0.781 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.627 -2.578 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.804 -3.180 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.970 -0.922 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.853 -0.452 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.910 -1.291 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.606 -2.409 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.202 -3.018 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.794 -3.666 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.645 -5.211 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.242 -5.008 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.462 -5.968 -2.403 1.00 0.00 H new ATOM 876 N GLY A 59 -7.955 -2.267 1.972 1.00 0.00 N ATOM 877 CA GLY A 59 -8.817 -2.076 3.126 1.00 0.00 C ATOM 878 C GLY A 59 -8.132 -1.253 4.216 1.00 0.00 C ATOM 879 O GLY A 59 -8.744 -0.346 4.773 1.00 0.00 O ATOM 0 H GLY A 59 -7.822 -3.249 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.734 -1.576 2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.104 -3.047 3.530 1.00 0.00 H new ATOM 883 N ALA A 60 -6.864 -1.562 4.514 1.00 0.00 N ATOM 884 CA ALA A 60 -6.083 -0.850 5.513 1.00 0.00 C ATOM 885 C ALA A 60 -5.897 0.620 5.131 1.00 0.00 C ATOM 886 O ALA A 60 -6.099 1.497 5.966 1.00 0.00 O ATOM 887 CB ALA A 60 -4.734 -1.542 5.713 1.00 0.00 C ATOM 0 H ALA A 60 -6.354 -2.320 4.061 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.629 -0.872 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.156 -1.002 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.897 -2.566 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.187 -1.552 4.770 1.00 0.00 H new ATOM 893 N ILE A 61 -5.524 0.897 3.876 1.00 0.00 N ATOM 894 CA ILE A 61 -5.366 2.259 3.374 1.00 0.00 C ATOM 895 C ILE A 61 -6.704 3.009 3.453 1.00 0.00 C ATOM 896 O ILE A 61 -6.739 4.189 3.803 1.00 0.00 O ATOM 897 CB ILE A 61 -4.795 2.228 1.942 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.376 1.629 1.930 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.745 3.646 1.356 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.966 1.124 0.543 1.00 0.00 C ATOM 0 H ILE A 61 -5.324 0.178 3.181 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.655 2.801 3.997 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.451 1.604 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.664 2.383 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.326 0.806 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.340 3.608 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.751 4.064 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.108 4.275 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.958 0.712 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.660 0.349 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.987 1.951 -0.166 1.00 0.00 H new ATOM 912 N GLU A 62 -7.810 2.326 3.139 1.00 0.00 N ATOM 913 CA GLU A 62 -9.144 2.898 3.223 1.00 0.00 C ATOM 914 C GLU A 62 -9.504 3.235 4.674 1.00 0.00 C ATOM 915 O GLU A 62 -10.087 4.286 4.931 1.00 0.00 O ATOM 916 CB GLU A 62 -10.158 1.948 2.568 1.00 0.00 C ATOM 917 CG GLU A 62 -11.454 2.668 2.174 1.00 0.00 C ATOM 918 CD GLU A 62 -11.219 3.722 1.091 1.00 0.00 C ATOM 919 OE1 GLU A 62 -10.766 3.326 -0.006 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.495 4.907 1.378 1.00 0.00 O ATOM 0 H GLU A 62 -7.797 1.358 2.819 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.171 3.839 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.711 1.497 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.390 1.136 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.180 1.938 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.886 3.143 3.054 1.00 0.00 H new ATOM 927 N ASP A 63 -9.142 2.356 5.618 1.00 0.00 N ATOM 928 CA ASP A 63 -9.346 2.562 7.046 1.00 0.00 C ATOM 929 C ASP A 63 -8.534 3.760 7.549 1.00 0.00 C ATOM 930 O ASP A 63 -9.056 4.568 8.316 1.00 0.00 O ATOM 931 CB ASP A 63 -8.993 1.281 7.812 1.00 0.00 C ATOM 932 CG ASP A 63 -9.218 1.445 9.312 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.393 1.338 9.726 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.212 1.676 10.018 1.00 0.00 O ATOM 0 H ASP A 63 -8.691 1.467 5.400 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.397 2.789 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.600 0.455 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.951 1.020 7.626 1.00 0.00 H new ATOM 939 N MET A 64 -7.272 3.882 7.113 1.00 0.00 N ATOM 940 CA MET A 64 -6.429 5.040 7.396 1.00 0.00 C ATOM 941 C MET A 64 -7.117 6.324 6.921 1.00 0.00 C ATOM 942 O MET A 64 -7.089 7.327 7.632 1.00 0.00 O ATOM 943 CB MET A 64 -5.050 4.875 6.741 1.00 0.00 C ATOM 944 CG MET A 64 -4.183 3.812 7.429 1.00 0.00 C ATOM 945 SD MET A 64 -3.450 4.306 9.012 1.00 0.00 S ATOM 946 CE MET A 64 -2.130 5.403 8.428 1.00 0.00 C ATOM 0 H MET A 64 -6.808 3.170 6.549 1.00 0.00 H new ATOM 0 HA MET A 64 -6.280 5.112 8.473 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.182 4.606 5.693 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.527 5.831 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.791 2.922 7.592 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.379 3.528 6.749 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.513 5.711 9.272 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.513 4.875 7.701 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.569 6.284 7.960 1.00 0.00 H new ATOM 956 N GLY A 65 -7.748 6.281 5.738 1.00 0.00 N ATOM 957 CA GLY A 65 -8.629 7.332 5.246 1.00 0.00 C ATOM 958 C GLY A 65 -8.148 7.906 3.920 1.00 0.00 C ATOM 959 O GLY A 65 -7.994 9.120 3.800 1.00 0.00 O ATOM 0 H GLY A 65 -7.654 5.498 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.636 6.933 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.689 8.130 5.986 1.00 0.00 H new ATOM 963 N PHE A 66 -7.920 7.037 2.926 1.00 0.00 N ATOM 964 CA PHE A 66 -7.556 7.436 1.573 1.00 0.00 C ATOM 965 C PHE A 66 -8.274 6.538 0.571 1.00 0.00 C ATOM 966 O PHE A 66 -8.470 5.355 0.839 1.00 0.00 O ATOM 967 CB PHE A 66 -6.041 7.343 1.381 1.00 0.00 C ATOM 968 CG PHE A 66 -5.233 8.038 2.455 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.993 9.421 2.369 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.735 7.306 3.549 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.281 10.075 3.388 1.00 0.00 C ATOM 972 CE2 PHE A 66 -4.019 7.960 4.563 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.808 9.347 4.493 1.00 0.00 C ATOM 0 H PHE A 66 -7.986 6.026 3.047 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.858 8.470 1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.754 6.292 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.782 7.772 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.356 9.980 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.904 6.241 3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.097 11.137 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.630 7.397 5.398 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.282 9.854 5.289 1.00 0.00 H new ATOM 983 N ASP A 67 -8.656 7.096 -0.582 1.00 0.00 N ATOM 984 CA ASP A 67 -9.358 6.370 -1.629 1.00 0.00 C ATOM 985 C ASP A 67 -8.405 5.347 -2.250 1.00 0.00 C ATOM 986 O ASP A 67 -7.555 5.707 -3.064 1.00 0.00 O ATOM 987 CB ASP A 67 -9.891 7.355 -2.674 1.00 0.00 C ATOM 988 CG ASP A 67 -10.859 8.363 -2.061 1.00 0.00 C ATOM 989 OD1 ASP A 67 -12.047 8.000 -1.921 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.392 9.479 -1.742 1.00 0.00 O ATOM 0 H ASP A 67 -8.482 8.075 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.213 5.836 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.056 7.885 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.394 6.805 -3.469 1.00 0.00 H new ATOM 995 N ALA A 68 -8.548 4.080 -1.840 1.00 0.00 N ATOM 996 CA ALA A 68 -7.675 2.977 -2.207 1.00 0.00 C ATOM 997 C ALA A 68 -8.342 2.120 -3.283 1.00 0.00 C ATOM 998 O ALA A 68 -9.426 1.588 -3.048 1.00 0.00 O ATOM 999 CB ALA A 68 -7.388 2.147 -0.954 1.00 0.00 C ATOM 0 H ALA A 68 -9.306 3.793 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.737 3.357 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.734 1.314 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.901 2.773 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.324 1.762 -0.551 1.00 0.00 H new ATOM 1005 N THR A 69 -7.706 1.984 -4.455 1.00 0.00 N ATOM 1006 CA THR A 69 -8.215 1.178 -5.565 1.00 0.00 C ATOM 1007 C THR A 69 -7.056 0.468 -6.268 1.00 0.00 C ATOM 1008 O THR A 69 -6.009 1.068 -6.496 1.00 0.00 O ATOM 1009 CB THR A 69 -8.999 2.055 -6.556 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.199 3.122 -7.019 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.283 2.625 -5.945 1.00 0.00 C ATOM 0 H THR A 69 -6.815 2.437 -4.657 1.00 0.00 H new ATOM 0 HA THR A 69 -8.897 0.425 -5.170 1.00 0.00 H new ATOM 0 HB THR A 69 -9.276 1.407 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.714 3.668 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.798 3.236 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.933 1.807 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.033 3.238 -5.079 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.237 -0.813 -6.613 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.196 -1.630 -7.225 1.00 0.00 C ATOM 1021 C LEU A 70 -5.976 -1.233 -8.687 1.00 0.00 C ATOM 1022 O LEU A 70 -6.942 -1.011 -9.416 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.580 -3.119 -7.181 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.993 -3.656 -5.801 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.284 -5.157 -5.908 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -5.908 -3.426 -4.747 1.00 0.00 C ATOM 0 H LEU A 70 -8.117 -1.309 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.280 -1.464 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.402 -3.285 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.735 -3.705 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.884 -3.113 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.577 -5.541 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.093 -5.321 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.389 -5.678 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.243 -3.821 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.993 -3.935 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.714 -2.358 -4.652 1.00 0.00 H new