USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 0.842 K(o=1.8,f=-2.9) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -167:sc= 0.965 (180deg=0) USER MOD Set 2.1: A 4 THR OG1 : rot 112:sc= 1.04 USER MOD Set 2.2: A 5 GLN : amide:sc= 1.31 K(o=3.2,f=-3.3) USER MOD Set 2.3: A 10 LYS NZ :NH3+ -158:sc= 0.835 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.22) USER MOD Single : A 18 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.751 K(o=0.75,f=-0.045) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.25) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -174:sc= -0.0803 (180deg=-0.174) USER MOD Single : A 57 SER OG : rot 62:sc= 0.336 USER MOD Single : A 58 SER OG : rot 180:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -9.910 13.100 -4.804 1.00 0.00 N ATOM 35 CA LEU A 3 -8.848 13.083 -5.816 1.00 0.00 C ATOM 36 C LEU A 3 -9.276 12.660 -7.226 1.00 0.00 C ATOM 37 O LEU A 3 -10.354 12.102 -7.456 1.00 0.00 O ATOM 38 CB LEU A 3 -7.673 12.234 -5.296 1.00 0.00 C ATOM 39 CG LEU A 3 -7.028 12.797 -4.015 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.673 12.132 -3.781 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.801 14.305 -4.109 1.00 0.00 C ATOM 0 HA LEU A 3 -8.543 14.120 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.025 11.221 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.914 12.163 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.714 12.590 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.222 12.534 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.810 11.056 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.019 12.330 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.345 14.663 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.140 14.522 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.756 14.808 -4.260 1.00 0.00 H new ATOM 52 N THR A 4 -8.380 12.954 -8.171 1.00 0.00 N ATOM 53 CA THR A 4 -8.484 12.580 -9.595 1.00 0.00 C ATOM 54 C THR A 4 -8.196 11.087 -9.826 1.00 0.00 C ATOM 55 O THR A 4 -8.074 10.307 -8.876 1.00 0.00 O ATOM 56 CB THR A 4 -7.574 13.453 -10.483 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.217 13.244 -10.166 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.887 14.944 -10.388 1.00 0.00 C ATOM 0 H THR A 4 -7.529 13.478 -7.965 1.00 0.00 H new ATOM 0 HA THR A 4 -9.518 12.765 -9.886 1.00 0.00 H new ATOM 0 HB THR A 4 -7.774 13.141 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.771 12.797 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.210 15.500 -11.037 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.916 15.120 -10.700 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.758 15.278 -9.358 1.00 0.00 H new ATOM 66 N GLN A 5 -8.067 10.674 -11.094 1.00 0.00 N ATOM 67 CA GLN A 5 -7.638 9.334 -11.511 1.00 0.00 C ATOM 68 C GLN A 5 -6.374 8.812 -10.798 1.00 0.00 C ATOM 69 O GLN A 5 -6.205 7.596 -10.666 1.00 0.00 O ATOM 70 CB GLN A 5 -7.455 9.295 -13.040 1.00 0.00 C ATOM 71 CG GLN A 5 -6.191 9.974 -13.609 1.00 0.00 C ATOM 72 CD GLN A 5 -6.111 11.476 -13.352 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.372 11.947 -12.492 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.871 12.284 -14.056 1.00 0.00 N ATOM 0 H GLN A 5 -8.266 11.286 -11.885 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.435 8.656 -11.207 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.450 8.251 -13.355 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.327 9.762 -13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.311 9.497 -13.177 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.153 9.799 -14.684 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.490 11.906 -14.774 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.842 13.289 -13.885 1.00 0.00 H new ATOM 81 N GLY A 6 -5.491 9.705 -10.331 1.00 0.00 N ATOM 82 CA GLY A 6 -4.275 9.327 -9.632 1.00 0.00 C ATOM 83 C GLY A 6 -3.505 10.471 -8.978 1.00 0.00 C ATOM 84 O GLY A 6 -2.281 10.405 -8.978 1.00 0.00 O ATOM 0 H GLY A 6 -5.609 10.713 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.532 8.599 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.613 8.825 -10.338 1.00 0.00 H new ATOM 88 N GLU A 7 -4.151 11.484 -8.382 1.00 0.00 N ATOM 89 CA GLU A 7 -3.483 12.583 -7.676 1.00 0.00 C ATOM 90 C GLU A 7 -2.643 12.112 -6.473 1.00 0.00 C ATOM 91 O GLU A 7 -1.796 12.856 -5.994 1.00 0.00 O ATOM 92 CB GLU A 7 -4.525 13.629 -7.227 1.00 0.00 C ATOM 93 CG GLU A 7 -4.254 14.985 -7.878 1.00 0.00 C ATOM 94 CD GLU A 7 -5.178 16.106 -7.361 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.414 15.910 -7.272 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.667 17.215 -7.060 1.00 0.00 O ATOM 0 H GLU A 7 -5.168 11.562 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.784 13.033 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.526 13.288 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.500 13.731 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.217 15.266 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.375 14.893 -8.957 1.00 0.00 H new ATOM 101 N LEU A 8 -2.813 10.868 -6.021 1.00 0.00 N ATOM 102 CA LEU A 8 -1.923 10.213 -5.057 1.00 0.00 C ATOM 103 C LEU A 8 -1.047 9.113 -5.696 1.00 0.00 C ATOM 104 O LEU A 8 0.001 8.774 -5.158 1.00 0.00 O ATOM 105 CB LEU A 8 -2.774 9.759 -3.855 1.00 0.00 C ATOM 106 CG LEU A 8 -3.678 8.530 -4.107 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.029 7.303 -3.459 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.090 8.665 -3.531 1.00 0.00 C ATOM 0 H LEU A 8 -3.588 10.275 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.177 10.918 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.106 9.533 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.402 10.592 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.775 8.438 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.656 6.428 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.046 7.136 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.923 7.471 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.660 7.762 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.031 8.804 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.586 9.525 -3.981 1.00 0.00 H new ATOM 119 N MET A 9 -1.409 8.602 -6.880 1.00 0.00 N ATOM 120 CA MET A 9 -0.687 7.554 -7.618 1.00 0.00 C ATOM 121 C MET A 9 0.631 8.099 -8.157 1.00 0.00 C ATOM 122 O MET A 9 1.709 7.661 -7.760 1.00 0.00 O ATOM 123 CB MET A 9 -1.604 6.963 -8.722 1.00 0.00 C ATOM 124 CG MET A 9 -0.958 6.671 -10.081 1.00 0.00 C ATOM 125 SD MET A 9 -1.987 5.718 -11.226 1.00 0.00 S ATOM 126 CE MET A 9 -0.805 5.533 -12.589 1.00 0.00 C ATOM 0 H MET A 9 -2.245 8.919 -7.370 1.00 0.00 H new ATOM 0 HA MET A 9 -0.429 6.734 -6.948 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.033 6.035 -8.345 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.431 7.655 -8.882 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.696 7.618 -10.553 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.027 6.129 -9.915 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.267 4.965 -13.397 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.517 6.518 -12.957 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.080 5.005 -12.234 1.00 0.00 H new ATOM 134 N LYS A 10 0.558 9.095 -9.040 1.00 0.00 N ATOM 135 CA LYS A 10 1.700 9.643 -9.794 1.00 0.00 C ATOM 136 C LYS A 10 2.598 10.570 -8.949 1.00 0.00 C ATOM 137 O LYS A 10 3.381 11.351 -9.490 1.00 0.00 O ATOM 138 CB LYS A 10 1.147 10.251 -11.104 1.00 0.00 C ATOM 139 CG LYS A 10 0.186 11.437 -10.894 1.00 0.00 C ATOM 140 CD LYS A 10 -0.945 11.535 -11.925 1.00 0.00 C ATOM 141 CE LYS A 10 -1.648 12.886 -11.756 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.727 13.082 -12.756 1.00 0.00 N ATOM 0 H LYS A 10 -0.322 9.561 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 10 2.400 8.852 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.984 10.581 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.628 9.472 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.253 11.360 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.762 12.362 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.545 11.441 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.655 10.720 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.068 12.953 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.917 13.689 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.920 14.098 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.428 12.688 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.590 12.598 -12.435 1.00 0.00 H new ATOM 152 N LEU A 11 2.460 10.483 -7.621 1.00 0.00 N ATOM 153 CA LEU A 11 3.035 11.328 -6.573 1.00 0.00 C ATOM 154 C LEU A 11 3.722 10.493 -5.496 1.00 0.00 C ATOM 155 O LEU A 11 4.767 10.919 -5.000 1.00 0.00 O ATOM 156 CB LEU A 11 1.948 12.185 -5.888 1.00 0.00 C ATOM 157 CG LEU A 11 1.321 13.326 -6.704 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.381 14.287 -7.233 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.506 12.814 -7.885 1.00 0.00 C ATOM 0 H LEU A 11 1.885 9.745 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 11 3.766 11.972 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.146 11.519 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.380 12.616 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 11 0.658 13.849 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.900 15.080 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.927 14.723 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.075 13.745 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.084 13.659 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.151 12.239 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.301 12.177 -7.522 1.00 0.00 H new ATOM 170 N ILE A 12 3.199 9.303 -5.153 1.00 0.00 N ATOM 171 CA ILE A 12 3.850 8.483 -4.113 1.00 0.00 C ATOM 172 C ILE A 12 5.270 8.090 -4.523 1.00 0.00 C ATOM 173 O ILE A 12 6.172 8.068 -3.690 1.00 0.00 O ATOM 174 CB ILE A 12 3.060 7.212 -3.747 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.543 6.430 -4.973 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.920 7.526 -2.774 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.715 4.925 -4.767 1.00 0.00 C ATOM 0 H ILE A 12 2.358 8.897 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 12 3.881 9.117 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 12 3.772 6.554 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.491 6.661 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.084 6.744 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.382 6.608 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.330 7.954 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.235 8.239 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.344 4.393 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.771 4.696 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.153 4.612 -3.887 1.00 0.00 H new ATOM 188 N LYS A 13 5.495 7.851 -5.818 1.00 0.00 N ATOM 189 CA LYS A 13 6.816 7.450 -6.347 1.00 0.00 C ATOM 190 C LYS A 13 7.684 8.639 -6.779 1.00 0.00 C ATOM 191 O LYS A 13 8.888 8.510 -6.970 1.00 0.00 O ATOM 192 CB LYS A 13 6.629 6.372 -7.434 1.00 0.00 C ATOM 193 CG LYS A 13 5.644 6.696 -8.575 1.00 0.00 C ATOM 194 CD LYS A 13 6.109 7.725 -9.617 1.00 0.00 C ATOM 195 CE LYS A 13 7.451 7.360 -10.262 1.00 0.00 C ATOM 196 NZ LYS A 13 7.828 8.334 -11.317 1.00 0.00 N ATOM 0 H LYS A 13 4.773 7.928 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 13 7.394 7.003 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.603 6.163 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.296 5.455 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.409 5.768 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.716 7.057 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.351 7.814 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.194 8.702 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.228 7.331 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.389 6.361 -10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.829 8.205 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.238 8.179 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.681 9.301 -10.965 1.00 0.00 H new ATOM 206 N GLU A 14 7.078 9.815 -6.870 1.00 0.00 N ATOM 207 CA GLU A 14 7.652 11.070 -7.363 1.00 0.00 C ATOM 208 C GLU A 14 8.234 11.918 -6.223 1.00 0.00 C ATOM 209 O GLU A 14 9.071 12.790 -6.465 1.00 0.00 O ATOM 210 CB GLU A 14 6.553 11.845 -8.117 1.00 0.00 C ATOM 211 CG GLU A 14 7.070 12.852 -9.157 1.00 0.00 C ATOM 212 CD GLU A 14 7.542 12.206 -10.477 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.916 11.006 -10.502 1.00 0.00 O ATOM 214 OE2 GLU A 14 7.555 12.910 -11.516 1.00 0.00 O ATOM 0 H GLU A 14 6.106 9.930 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 14 8.479 10.844 -8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.902 11.129 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.940 12.378 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.279 13.569 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.897 13.414 -8.723 1.00 0.00 H new ATOM 219 N ILE A 15 7.839 11.630 -4.974 1.00 0.00 N ATOM 220 CA ILE A 15 8.449 12.167 -3.761 1.00 0.00 C ATOM 221 C ILE A 15 9.372 11.113 -3.146 1.00 0.00 C ATOM 222 O ILE A 15 10.530 11.415 -2.876 1.00 0.00 O ATOM 223 CB ILE A 15 7.389 12.709 -2.775 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.499 11.609 -2.148 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.516 13.780 -3.453 1.00 0.00 C ATOM 226 CD1 ILE A 15 6.950 11.271 -0.724 1.00 0.00 C ATOM 0 H ILE A 15 7.063 10.997 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 15 9.062 13.032 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 15 7.947 13.156 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.461 11.943 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.537 10.712 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.776 14.149 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.145 14.606 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.008 13.344 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.304 10.495 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.980 10.914 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.888 12.163 -0.101 1.00 0.00 H new ATOM 237 N VAL A 16 8.928 9.858 -2.978 1.00 0.00 N ATOM 238 CA VAL A 16 9.723 8.836 -2.280 1.00 0.00 C ATOM 239 C VAL A 16 11.025 8.551 -3.026 1.00 0.00 C ATOM 240 O VAL A 16 12.076 8.422 -2.396 1.00 0.00 O ATOM 241 CB VAL A 16 8.939 7.526 -2.072 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.844 6.430 -1.498 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.782 7.718 -1.089 1.00 0.00 C ATOM 0 H VAL A 16 8.024 9.527 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 16 9.957 9.242 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 16 8.558 7.236 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.266 5.516 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.667 6.239 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.244 6.754 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.250 6.775 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.174 8.043 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.097 8.473 -1.476 1.00 0.00 H new ATOM 253 N GLU A 17 10.991 8.513 -4.366 1.00 0.00 N ATOM 254 CA GLU A 17 12.221 8.263 -5.145 1.00 0.00 C ATOM 255 C GLU A 17 13.065 9.537 -5.334 1.00 0.00 C ATOM 256 O GLU A 17 14.094 9.510 -6.017 1.00 0.00 O ATOM 257 CB GLU A 17 11.928 7.547 -6.476 1.00 0.00 C ATOM 258 CG GLU A 17 11.171 6.226 -6.257 1.00 0.00 C ATOM 259 CD GLU A 17 11.139 5.341 -7.515 1.00 0.00 C ATOM 260 OE1 GLU A 17 10.851 5.834 -8.632 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.390 4.116 -7.378 1.00 0.00 O ATOM 0 H GLU A 17 10.149 8.648 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 17 12.831 7.580 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.340 8.201 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.865 7.348 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.640 5.674 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.149 6.445 -5.947 1.00 0.00 H new ATOM 266 N ASN A 18 12.665 10.650 -4.710 1.00 0.00 N ATOM 267 CA ASN A 18 13.334 11.939 -4.737 1.00 0.00 C ATOM 268 C ASN A 18 13.950 12.343 -3.382 1.00 0.00 C ATOM 269 O ASN A 18 14.784 13.251 -3.338 1.00 0.00 O ATOM 270 CB ASN A 18 12.302 12.976 -5.218 1.00 0.00 C ATOM 271 CG ASN A 18 12.955 14.048 -6.056 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.074 15.210 -5.684 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.397 13.667 -7.231 1.00 0.00 N ATOM 0 H ASN A 18 11.817 10.668 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 18 14.184 11.883 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.526 12.478 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.812 13.432 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.847 14.341 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.290 12.696 -7.526 1.00 0.00 H new ATOM 279 N GLU A 19 13.562 11.681 -2.284 1.00 0.00 N ATOM 280 CA GLU A 19 13.966 12.035 -0.917 1.00 0.00 C ATOM 281 C GLU A 19 15.186 11.229 -0.455 1.00 0.00 C ATOM 282 O GLU A 19 16.323 11.686 -0.598 1.00 0.00 O ATOM 283 CB GLU A 19 12.771 11.866 0.041 1.00 0.00 C ATOM 284 CG GLU A 19 11.647 12.892 -0.144 1.00 0.00 C ATOM 285 CD GLU A 19 12.079 14.318 0.251 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.085 14.649 1.463 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.414 15.129 -0.647 1.00 0.00 O ATOM 0 H GLU A 19 12.946 10.869 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 19 14.271 13.082 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.357 10.867 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.134 11.928 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.324 12.889 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.787 12.597 0.457 1.00 0.00 H new ATOM 292 N ASP A 20 14.966 10.031 0.091 1.00 0.00 N ATOM 293 CA ASP A 20 16.004 9.155 0.627 1.00 0.00 C ATOM 294 C ASP A 20 15.710 7.698 0.251 1.00 0.00 C ATOM 295 O ASP A 20 15.108 6.935 1.008 1.00 0.00 O ATOM 296 CB ASP A 20 16.152 9.333 2.149 1.00 0.00 C ATOM 297 CG ASP A 20 16.800 10.671 2.535 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.051 10.774 2.469 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.077 11.606 2.956 1.00 0.00 O ATOM 0 H ASP A 20 14.030 9.634 0.174 1.00 0.00 H new ATOM 0 HA ASP A 20 16.959 9.433 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.169 9.264 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.753 8.516 2.548 1.00 0.00 H new ATOM 303 N LYS A 21 16.196 7.288 -0.923 1.00 0.00 N ATOM 304 CA LYS A 21 16.224 5.880 -1.370 1.00 0.00 C ATOM 305 C LYS A 21 16.923 4.948 -0.363 1.00 0.00 C ATOM 306 O LYS A 21 16.594 3.763 -0.277 1.00 0.00 O ATOM 307 CB LYS A 21 16.908 5.793 -2.743 1.00 0.00 C ATOM 308 CG LYS A 21 16.125 6.504 -3.858 1.00 0.00 C ATOM 309 CD LYS A 21 16.833 6.318 -5.206 1.00 0.00 C ATOM 310 CE LYS A 21 16.068 7.051 -6.312 1.00 0.00 C ATOM 311 NZ LYS A 21 16.731 6.898 -7.631 1.00 0.00 N ATOM 0 H LYS A 21 16.590 7.933 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 21 15.191 5.539 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.904 6.229 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.037 4.744 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.113 6.104 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.036 7.566 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.852 6.699 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.903 5.257 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.051 6.664 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.993 8.109 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.185 7.407 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.693 7.290 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.780 5.889 -7.880 1.00 0.00 H new ATOM 321 N ARG A 22 17.864 5.492 0.421 1.00 0.00 N ATOM 322 CA ARG A 22 18.635 4.816 1.489 1.00 0.00 C ATOM 323 C ARG A 22 17.889 4.696 2.821 1.00 0.00 C ATOM 324 O ARG A 22 18.321 3.947 3.699 1.00 0.00 O ATOM 325 CB ARG A 22 19.970 5.558 1.716 1.00 0.00 C ATOM 326 CG ARG A 22 20.766 5.865 0.435 1.00 0.00 C ATOM 327 CD ARG A 22 20.845 4.649 -0.491 1.00 0.00 C ATOM 328 NE ARG A 22 21.672 4.924 -1.683 1.00 0.00 N ATOM 329 CZ ARG A 22 21.875 4.122 -2.714 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.343 2.933 -2.785 1.00 0.00 N ATOM 331 NH2 ARG A 22 22.626 4.504 -3.706 1.00 0.00 N ATOM 0 H ARG A 22 18.127 6.473 0.326 1.00 0.00 H new ATOM 0 HA ARG A 22 18.805 3.798 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.765 6.496 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.594 4.959 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.297 6.695 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.773 6.185 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.263 3.803 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.840 4.363 -0.803 1.00 0.00 H new ATOM 0 HE ARG A 22 22.137 5.831 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.748 2.595 -2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.522 2.342 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.061 5.426 -3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.779 3.881 -4.499 1.00 0.00 H new ATOM 342 N LYS A 23 16.778 5.422 2.962 1.00 0.00 N ATOM 343 CA LYS A 23 15.892 5.491 4.147 1.00 0.00 C ATOM 344 C LYS A 23 14.421 5.694 3.713 1.00 0.00 C ATOM 345 O LYS A 23 13.895 6.808 3.837 1.00 0.00 O ATOM 346 CB LYS A 23 16.353 6.617 5.102 1.00 0.00 C ATOM 347 CG LYS A 23 17.774 6.439 5.665 1.00 0.00 C ATOM 348 CD LYS A 23 18.144 7.520 6.691 1.00 0.00 C ATOM 349 CE LYS A 23 18.254 8.912 6.048 1.00 0.00 C ATOM 350 NZ LYS A 23 18.673 9.936 7.038 1.00 0.00 N ATOM 0 H LYS A 23 16.443 6.020 2.207 1.00 0.00 H new ATOM 0 HA LYS A 23 15.956 4.546 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.303 7.568 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.652 6.679 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.855 5.457 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.491 6.462 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.392 7.544 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.092 7.263 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.973 8.880 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.293 9.192 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.738 10.863 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.974 9.983 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.602 9.680 7.430 1.00 0.00 H new ATOM 360 N PRO A 24 13.748 4.661 3.170 1.00 0.00 N ATOM 361 CA PRO A 24 12.444 4.809 2.525 1.00 0.00 C ATOM 362 C PRO A 24 11.294 5.049 3.519 1.00 0.00 C ATOM 363 O PRO A 24 11.426 4.845 4.731 1.00 0.00 O ATOM 364 CB PRO A 24 12.238 3.498 1.762 1.00 0.00 C ATOM 365 CG PRO A 24 12.941 2.482 2.656 1.00 0.00 C ATOM 366 CD PRO A 24 14.155 3.262 3.154 1.00 0.00 C ATOM 0 HA PRO A 24 12.433 5.688 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.181 3.264 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.678 3.535 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.304 2.155 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.232 1.588 2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.452 2.930 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.013 3.112 2.498 1.00 0.00 H new ATOM 371 N TYR A 25 10.137 5.437 2.981 1.00 0.00 N ATOM 372 CA TYR A 25 8.860 5.553 3.698 1.00 0.00 C ATOM 373 C TYR A 25 8.077 4.219 3.687 1.00 0.00 C ATOM 374 O TYR A 25 8.555 3.193 3.193 1.00 0.00 O ATOM 375 CB TYR A 25 8.044 6.709 3.084 1.00 0.00 C ATOM 376 CG TYR A 25 8.757 8.053 3.059 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.682 8.353 2.041 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.490 9.012 4.055 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.339 9.595 2.007 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.165 10.249 4.047 1.00 0.00 C ATOM 381 CZ TYR A 25 10.093 10.543 3.024 1.00 0.00 C ATOM 382 OH TYR A 25 10.751 11.731 3.022 1.00 0.00 O ATOM 0 H TYR A 25 10.057 5.690 1.996 1.00 0.00 H new ATOM 0 HA TYR A 25 9.055 5.778 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.771 6.440 2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.115 6.817 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.889 7.619 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.766 8.799 4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.028 9.823 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.972 10.973 4.825 1.00 0.00 H new ATOM 0 HH TYR A 25 10.463 12.266 3.791 1.00 0.00 H new ATOM 391 N SER A 26 6.858 4.235 4.226 1.00 0.00 N ATOM 392 CA SER A 26 5.897 3.120 4.267 1.00 0.00 C ATOM 393 C SER A 26 4.483 3.634 4.007 1.00 0.00 C ATOM 394 O SER A 26 4.287 4.849 3.956 1.00 0.00 O ATOM 395 CB SER A 26 5.980 2.386 5.613 1.00 0.00 C ATOM 396 OG SER A 26 5.882 3.247 6.738 1.00 0.00 O ATOM 0 H SER A 26 6.488 5.074 4.673 1.00 0.00 H new ATOM 0 HA SER A 26 6.151 2.408 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.182 1.645 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.924 1.843 5.663 1.00 0.00 H new ATOM 0 HG SER A 26 5.940 2.718 7.561 1.00 0.00 H new ATOM 401 N ASP A 27 3.491 2.756 3.836 1.00 0.00 N ATOM 402 CA ASP A 27 2.094 3.139 3.591 1.00 0.00 C ATOM 403 C ASP A 27 1.552 4.215 4.555 1.00 0.00 C ATOM 404 O ASP A 27 1.000 5.215 4.108 1.00 0.00 O ATOM 405 CB ASP A 27 1.175 1.906 3.517 1.00 0.00 C ATOM 406 CG ASP A 27 1.119 0.991 4.762 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.809 1.238 5.780 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.295 0.046 4.741 1.00 0.00 O ATOM 0 H ASP A 27 3.635 1.747 3.864 1.00 0.00 H new ATOM 0 HA ASP A 27 2.090 3.619 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.163 2.251 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.489 1.301 2.667 1.00 0.00 H new ATOM 412 N GLN A 28 1.735 4.078 5.870 1.00 0.00 N ATOM 413 CA GLN A 28 1.361 5.112 6.830 1.00 0.00 C ATOM 414 C GLN A 28 2.166 6.394 6.578 1.00 0.00 C ATOM 415 O GLN A 28 1.599 7.486 6.521 1.00 0.00 O ATOM 416 CB GLN A 28 1.542 4.566 8.257 1.00 0.00 C ATOM 417 CG GLN A 28 1.440 5.637 9.356 1.00 0.00 C ATOM 418 CD GLN A 28 0.101 6.381 9.393 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.853 5.965 10.041 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.029 7.509 8.721 1.00 0.00 N ATOM 0 H GLN A 28 2.146 3.248 6.296 1.00 0.00 H new ATOM 0 HA GLN A 28 0.311 5.378 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.788 3.800 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.515 4.079 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.606 5.164 10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.241 6.363 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.754 7.871 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.912 8.019 8.746 1.00 0.00 H new ATOM 427 N GLU A 29 3.486 6.302 6.434 1.00 0.00 N ATOM 428 CA GLU A 29 4.316 7.485 6.317 1.00 0.00 C ATOM 429 C GLU A 29 3.995 8.307 5.062 1.00 0.00 C ATOM 430 O GLU A 29 3.714 9.497 5.191 1.00 0.00 O ATOM 431 CB GLU A 29 5.787 7.085 6.420 1.00 0.00 C ATOM 432 CG GLU A 29 6.195 6.533 7.796 1.00 0.00 C ATOM 433 CD GLU A 29 6.136 7.614 8.890 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.108 8.398 9.032 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.120 7.689 9.625 1.00 0.00 O ATOM 0 H GLU A 29 3.997 5.420 6.396 1.00 0.00 H new ATOM 0 HA GLU A 29 4.092 8.156 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.001 6.333 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.405 7.953 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.536 5.708 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.206 6.129 7.740 1.00 0.00 H new ATOM 440 N ILE A 30 3.928 7.692 3.875 1.00 0.00 N ATOM 441 CA ILE A 30 3.501 8.376 2.642 1.00 0.00 C ATOM 442 C ILE A 30 2.084 8.947 2.751 1.00 0.00 C ATOM 443 O ILE A 30 1.866 10.072 2.308 1.00 0.00 O ATOM 444 CB ILE A 30 3.702 7.523 1.370 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.753 6.313 1.276 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.173 7.107 1.258 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.054 5.347 0.124 1.00 0.00 C ATOM 0 H ILE A 30 4.167 6.710 3.739 1.00 0.00 H new ATOM 0 HA ILE A 30 4.170 9.229 2.530 1.00 0.00 H new ATOM 0 HB ILE A 30 3.438 8.148 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.797 5.761 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.732 6.678 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.314 6.505 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.799 7.997 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.454 6.522 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.335 4.528 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.980 5.878 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.062 4.947 0.238 1.00 0.00 H new ATOM 458 N ALA A 31 1.145 8.253 3.404 1.00 0.00 N ATOM 459 CA ALA A 31 -0.220 8.771 3.595 1.00 0.00 C ATOM 460 C ALA A 31 -0.222 10.088 4.399 1.00 0.00 C ATOM 461 O ALA A 31 -1.011 10.998 4.130 1.00 0.00 O ATOM 462 CB ALA A 31 -1.071 7.715 4.312 1.00 0.00 C ATOM 0 H ALA A 31 1.303 7.331 3.810 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.644 8.984 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.082 8.097 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.108 6.807 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.629 7.489 5.282 1.00 0.00 H new ATOM 468 N ASN A 32 0.685 10.203 5.372 1.00 0.00 N ATOM 469 CA ASN A 32 0.820 11.364 6.241 1.00 0.00 C ATOM 470 C ASN A 32 1.333 12.607 5.500 1.00 0.00 C ATOM 471 O ASN A 32 0.703 13.659 5.563 1.00 0.00 O ATOM 472 CB ASN A 32 1.720 10.978 7.417 1.00 0.00 C ATOM 473 CG ASN A 32 1.806 12.079 8.459 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.851 12.366 9.169 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.936 12.735 8.583 1.00 0.00 N ATOM 0 H ASN A 32 1.362 9.469 5.579 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.165 11.649 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.338 10.069 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.720 10.751 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.018 13.484 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.732 12.496 7.992 1.00 0.00 H new ATOM 481 N ILE A 33 2.455 12.511 4.781 1.00 0.00 N ATOM 482 CA ILE A 33 3.058 13.668 4.076 1.00 0.00 C ATOM 483 C ILE A 33 2.142 14.199 2.966 1.00 0.00 C ATOM 484 O ILE A 33 2.072 15.403 2.716 1.00 0.00 O ATOM 485 CB ILE A 33 4.419 13.277 3.480 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.351 12.668 4.552 1.00 0.00 C ATOM 487 CG2 ILE A 33 5.137 14.441 2.784 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.852 11.323 4.047 1.00 0.00 C ATOM 0 H ILE A 33 2.975 11.641 4.666 1.00 0.00 H new ATOM 0 HA ILE A 33 3.194 14.462 4.810 1.00 0.00 H new ATOM 0 HB ILE A 33 4.195 12.528 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.190 13.336 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.816 12.544 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.091 14.095 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.518 14.815 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.313 15.242 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.512 10.878 4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.004 10.661 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.400 11.465 3.115 1.00 0.00 H new ATOM 499 N LEU A 34 1.382 13.305 2.335 1.00 0.00 N ATOM 500 CA LEU A 34 0.367 13.613 1.326 1.00 0.00 C ATOM 501 C LEU A 34 -0.774 14.471 1.886 1.00 0.00 C ATOM 502 O LEU A 34 -1.406 15.228 1.142 1.00 0.00 O ATOM 503 CB LEU A 34 -0.141 12.277 0.747 1.00 0.00 C ATOM 504 CG LEU A 34 0.618 11.767 -0.498 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.134 11.996 -0.460 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.349 10.274 -0.701 1.00 0.00 C ATOM 0 H LEU A 34 1.459 12.305 2.520 1.00 0.00 H new ATOM 0 HA LEU A 34 0.810 14.216 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.082 11.516 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.194 12.388 0.490 1.00 0.00 H new ATOM 0 HG LEU A 34 0.235 12.358 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.584 11.607 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.339 13.064 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.558 11.480 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.888 9.923 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.687 9.721 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.720 10.113 -0.842 1.00 0.00 H new ATOM 517 N LYS A 35 -0.999 14.429 3.203 1.00 0.00 N ATOM 518 CA LYS A 35 -2.008 15.266 3.870 1.00 0.00 C ATOM 519 C LYS A 35 -1.526 16.704 4.099 1.00 0.00 C ATOM 520 O LYS A 35 -2.339 17.591 4.360 1.00 0.00 O ATOM 521 CB LYS A 35 -2.491 14.562 5.155 1.00 0.00 C ATOM 522 CG LYS A 35 -1.910 15.145 6.455 1.00 0.00 C ATOM 523 CD LYS A 35 -2.031 14.170 7.628 1.00 0.00 C ATOM 524 CE LYS A 35 -1.510 14.838 8.904 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.433 13.875 10.031 1.00 0.00 N ATOM 0 H LYS A 35 -0.489 13.815 3.838 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.867 15.376 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.579 14.619 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.230 13.505 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.861 15.398 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.429 16.072 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.071 13.871 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.462 13.263 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.523 15.261 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.165 15.666 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.292 14.393 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.318 13.331 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.635 13.225 9.879 1.00 0.00 H new ATOM 535 N GLU A 36 -0.218 16.946 3.988 1.00 0.00 N ATOM 536 CA GLU A 36 0.387 18.259 4.244 1.00 0.00 C ATOM 537 C GLU A 36 0.376 19.154 2.994 1.00 0.00 C ATOM 538 O GLU A 36 0.618 20.362 3.105 1.00 0.00 O ATOM 539 CB GLU A 36 1.826 18.105 4.764 1.00 0.00 C ATOM 540 CG GLU A 36 1.926 17.257 6.038 1.00 0.00 C ATOM 541 CD GLU A 36 3.327 17.372 6.664 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.254 16.636 6.242 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.516 18.201 7.589 1.00 0.00 O ATOM 0 H GLU A 36 0.458 16.232 3.716 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.221 18.744 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.439 17.651 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.241 19.093 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.174 17.583 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.712 16.214 5.804 1.00 0.00 H new ATOM 548 N LYS A 37 0.091 18.583 1.808 1.00 0.00 N ATOM 549 CA LYS A 37 0.209 19.283 0.518 1.00 0.00 C ATOM 550 C LYS A 37 -1.040 19.235 -0.369 1.00 0.00 C ATOM 551 O LYS A 37 -1.228 20.160 -1.164 1.00 0.00 O ATOM 552 CB LYS A 37 1.490 18.824 -0.185 1.00 0.00 C ATOM 553 CG LYS A 37 1.515 17.311 -0.446 1.00 0.00 C ATOM 554 CD LYS A 37 2.883 16.861 -0.971 1.00 0.00 C ATOM 555 CE LYS A 37 3.868 16.798 0.202 1.00 0.00 C ATOM 556 NZ LYS A 37 5.267 16.630 -0.263 1.00 0.00 N ATOM 0 H LYS A 37 -0.229 17.619 1.719 1.00 0.00 H new ATOM 0 HA LYS A 37 0.287 20.349 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.589 19.353 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.352 19.097 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.282 16.777 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.742 17.051 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.801 15.884 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.243 17.556 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.788 17.710 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.601 15.969 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.904 16.592 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.349 15.747 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.531 17.434 -0.868 1.00 0.00 H new ATOM 566 N GLY A 38 -1.948 18.272 -0.174 1.00 0.00 N ATOM 567 CA GLY A 38 -3.365 18.488 -0.504 1.00 0.00 C ATOM 568 C GLY A 38 -4.203 17.231 -0.714 1.00 0.00 C ATOM 569 O GLY A 38 -5.382 17.339 -1.058 1.00 0.00 O ATOM 0 H GLY A 38 -1.734 17.349 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.818 19.073 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.418 19.092 -1.410 1.00 0.00 H new ATOM 573 N PHE A 39 -3.617 16.044 -0.549 1.00 0.00 N ATOM 574 CA PHE A 39 -4.222 14.797 -1.007 1.00 0.00 C ATOM 575 C PHE A 39 -5.092 14.110 0.046 1.00 0.00 C ATOM 576 O PHE A 39 -5.952 13.303 -0.311 1.00 0.00 O ATOM 577 CB PHE A 39 -3.128 13.854 -1.507 1.00 0.00 C ATOM 578 CG PHE A 39 -2.203 14.491 -2.518 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.681 14.784 -3.808 1.00 0.00 C ATOM 580 CD2 PHE A 39 -0.887 14.831 -2.156 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.855 15.436 -4.734 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.054 15.465 -3.096 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.538 15.778 -4.380 1.00 0.00 C ATOM 0 H PHE A 39 -2.712 15.922 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.899 15.053 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.541 13.507 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.593 12.975 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.687 14.506 -4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.519 14.607 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.230 15.675 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.963 15.713 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.101 16.280 -5.092 1.00 0.00 H new ATOM 592 N LYS A 40 -4.857 14.443 1.327 1.00 0.00 N ATOM 593 CA LYS A 40 -5.439 13.916 2.578 1.00 0.00 C ATOM 594 C LYS A 40 -5.768 12.416 2.577 1.00 0.00 C ATOM 595 O LYS A 40 -6.682 11.985 3.283 1.00 0.00 O ATOM 596 CB LYS A 40 -6.589 14.833 3.045 1.00 0.00 C ATOM 597 CG LYS A 40 -7.702 15.076 2.008 1.00 0.00 C ATOM 598 CD LYS A 40 -9.143 14.972 2.538 1.00 0.00 C ATOM 599 CE LYS A 40 -9.722 13.560 2.363 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.383 12.644 3.477 1.00 0.00 N ATOM 0 H LYS A 40 -4.176 15.173 1.537 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.655 13.952 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.037 14.399 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.169 15.796 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.563 16.068 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.580 14.358 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.161 15.243 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.774 15.690 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.806 13.628 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.353 13.137 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.008 11.813 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.394 12.337 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.509 13.138 4.383 1.00 0.00 H new ATOM 610 N VAL A 41 -5.046 11.617 1.791 1.00 0.00 N ATOM 611 CA VAL A 41 -5.387 10.207 1.550 1.00 0.00 C ATOM 612 C VAL A 41 -4.819 9.345 2.692 1.00 0.00 C ATOM 613 O VAL A 41 -3.718 9.584 3.193 1.00 0.00 O ATOM 614 CB VAL A 41 -4.980 9.712 0.149 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.498 10.015 -0.132 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.148 8.198 0.011 1.00 0.00 C ATOM 0 H VAL A 41 -4.206 11.926 1.301 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.473 10.110 1.555 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.631 10.233 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.236 9.656 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.330 11.091 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.877 9.514 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.851 7.889 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.522 7.694 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.191 7.931 0.178 1.00 0.00 H new ATOM 626 N ALA A 42 -5.576 8.341 3.113 1.00 0.00 N ATOM 627 CA ALA A 42 -5.292 7.376 4.151 1.00 0.00 C ATOM 628 C ALA A 42 -4.510 6.160 3.628 1.00 0.00 C ATOM 629 O ALA A 42 -4.432 5.867 2.431 1.00 0.00 O ATOM 630 CB ALA A 42 -6.630 6.939 4.766 1.00 0.00 C ATOM 0 H ALA A 42 -6.490 8.171 2.692 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.654 7.842 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.447 6.209 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.138 7.807 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.256 6.490 3.994 1.00 0.00 H new ATOM 636 N ARG A 43 -3.979 5.394 4.578 1.00 0.00 N ATOM 637 CA ARG A 43 -3.085 4.255 4.359 1.00 0.00 C ATOM 638 C ARG A 43 -3.679 3.150 3.494 1.00 0.00 C ATOM 639 O ARG A 43 -2.953 2.514 2.737 1.00 0.00 O ATOM 640 CB ARG A 43 -2.686 3.726 5.739 1.00 0.00 C ATOM 641 CG ARG A 43 -1.590 2.649 5.716 1.00 0.00 C ATOM 642 CD ARG A 43 -1.620 1.734 6.945 1.00 0.00 C ATOM 643 NE ARG A 43 -2.820 0.869 7.005 1.00 0.00 N ATOM 644 CZ ARG A 43 -3.017 -0.320 6.457 1.00 0.00 C ATOM 645 NH1 ARG A 43 -2.176 -0.887 5.644 1.00 0.00 N ATOM 646 NH2 ARG A 43 -4.104 -0.985 6.733 1.00 0.00 N ATOM 0 H ARG A 43 -4.168 5.556 5.567 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.219 4.598 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.344 4.562 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.570 3.316 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.703 2.043 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.615 3.133 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.729 1.107 6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.577 2.346 7.846 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.603 1.240 7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.307 -0.413 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.385 -1.806 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.797 -0.589 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.261 -1.901 6.314 1.00 0.00 H new ATOM 657 N ARG A 44 -4.992 2.933 3.552 1.00 0.00 N ATOM 658 CA ARG A 44 -5.658 1.825 2.848 1.00 0.00 C ATOM 659 C ARG A 44 -5.554 1.980 1.345 1.00 0.00 C ATOM 660 O ARG A 44 -5.370 1.019 0.599 1.00 0.00 O ATOM 661 CB ARG A 44 -7.135 1.811 3.249 1.00 0.00 C ATOM 662 CG ARG A 44 -7.929 0.556 2.830 1.00 0.00 C ATOM 663 CD ARG A 44 -7.305 -0.805 3.175 1.00 0.00 C ATOM 664 NE ARG A 44 -6.227 -1.167 2.231 1.00 0.00 N ATOM 665 CZ ARG A 44 -5.295 -2.085 2.393 1.00 0.00 C ATOM 666 NH1 ARG A 44 -5.328 -2.926 3.376 1.00 0.00 N ATOM 667 NH2 ARG A 44 -4.293 -2.166 1.572 1.00 0.00 N ATOM 0 H ARG A 44 -5.631 3.520 4.089 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.168 0.892 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.200 1.915 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.619 2.686 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.914 0.606 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.083 0.596 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.906 -0.776 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.077 -1.574 3.158 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.201 -0.647 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.090 -2.890 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.592 -3.625 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.220 -1.515 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.578 -2.881 1.708 1.00 0.00 H new ATOM 678 N THR A 45 -5.701 3.226 0.935 1.00 0.00 N ATOM 679 CA THR A 45 -5.748 3.699 -0.426 1.00 0.00 C ATOM 680 C THR A 45 -4.345 3.745 -0.977 1.00 0.00 C ATOM 681 O THR A 45 -4.051 3.210 -2.048 1.00 0.00 O ATOM 682 CB THR A 45 -6.293 5.131 -0.393 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.302 5.318 0.585 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.795 5.530 -1.762 1.00 0.00 C ATOM 0 H THR A 45 -5.798 3.991 1.603 1.00 0.00 H new ATOM 0 HA THR A 45 -6.369 3.047 -1.040 1.00 0.00 H new ATOM 0 HB THR A 45 -5.465 5.779 -0.107 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.611 6.248 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.180 6.549 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.976 5.476 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.592 4.852 -2.069 1.00 0.00 H new ATOM 692 N VAL A 46 -3.465 4.367 -0.193 1.00 0.00 N ATOM 693 CA VAL A 46 -2.103 4.637 -0.584 1.00 0.00 C ATOM 694 C VAL A 46 -1.322 3.325 -0.745 1.00 0.00 C ATOM 695 O VAL A 46 -0.443 3.224 -1.600 1.00 0.00 O ATOM 696 CB VAL A 46 -1.471 5.626 0.413 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.616 4.947 1.472 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.617 6.671 -0.303 1.00 0.00 C ATOM 0 H VAL A 46 -3.693 4.698 0.744 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.073 5.117 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.314 6.106 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.201 5.700 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.230 4.251 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.196 4.403 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.186 7.353 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.184 6.174 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.238 7.233 -1.000 1.00 0.00 H new ATOM 708 N ALA A 47 -1.687 2.301 0.044 1.00 0.00 N ATOM 709 CA ALA A 47 -1.078 0.981 0.063 1.00 0.00 C ATOM 710 C ALA A 47 -1.442 0.165 -1.179 1.00 0.00 C ATOM 711 O ALA A 47 -0.598 -0.548 -1.728 1.00 0.00 O ATOM 712 CB ALA A 47 -1.521 0.239 1.326 1.00 0.00 C ATOM 0 H ALA A 47 -2.452 2.386 0.714 1.00 0.00 H new ATOM 0 HA ALA A 47 0.005 1.107 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.067 -0.752 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.206 0.799 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.607 0.140 1.328 1.00 0.00 H new ATOM 718 N LYS A 48 -2.692 0.291 -1.652 1.00 0.00 N ATOM 719 CA LYS A 48 -3.139 -0.355 -2.890 1.00 0.00 C ATOM 720 C LYS A 48 -2.487 0.251 -4.138 1.00 0.00 C ATOM 721 O LYS A 48 -2.381 -0.419 -5.164 1.00 0.00 O ATOM 722 CB LYS A 48 -4.675 -0.311 -2.960 1.00 0.00 C ATOM 723 CG LYS A 48 -5.281 -1.437 -2.103 1.00 0.00 C ATOM 724 CD LYS A 48 -6.778 -1.669 -2.351 1.00 0.00 C ATOM 725 CE LYS A 48 -7.664 -0.564 -1.768 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.098 -0.875 -1.991 1.00 0.00 N ATOM 0 H LYS A 48 -3.415 0.841 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.816 -1.396 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.034 0.656 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.002 -0.416 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.742 -2.363 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.129 -1.201 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.955 -1.740 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.068 -2.626 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.470 -0.460 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.417 0.391 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.684 -0.116 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.282 -0.952 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.334 -1.776 -1.528 1.00 0.00 H new ATOM 736 N TYR A 49 -2.013 1.495 -4.048 1.00 0.00 N ATOM 737 CA TYR A 49 -1.436 2.241 -5.167 1.00 0.00 C ATOM 738 C TYR A 49 0.044 1.927 -5.375 1.00 0.00 C ATOM 739 O TYR A 49 0.433 1.571 -6.486 1.00 0.00 O ATOM 740 CB TYR A 49 -1.707 3.738 -4.987 1.00 0.00 C ATOM 741 CG TYR A 49 -3.075 4.177 -5.488 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.204 3.331 -5.433 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.195 5.451 -6.064 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.431 3.754 -5.987 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.412 5.884 -6.615 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.531 5.028 -6.590 1.00 0.00 C ATOM 747 OH TYR A 49 -6.707 5.461 -7.106 1.00 0.00 O ATOM 0 H TYR A 49 -2.020 2.023 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.926 1.919 -6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.619 3.989 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.938 4.303 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.129 2.360 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.338 6.108 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.293 3.104 -5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.490 6.867 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.590 6.360 -7.479 1.00 0.00 H new ATOM 756 N ARG A 50 0.872 1.940 -4.322 1.00 0.00 N ATOM 757 CA ARG A 50 2.273 1.480 -4.413 1.00 0.00 C ATOM 758 C ARG A 50 2.382 0.052 -4.966 1.00 0.00 C ATOM 759 O ARG A 50 3.340 -0.260 -5.671 1.00 0.00 O ATOM 760 CB ARG A 50 2.996 1.670 -3.064 1.00 0.00 C ATOM 761 CG ARG A 50 2.259 1.064 -1.862 1.00 0.00 C ATOM 762 CD ARG A 50 2.851 1.482 -0.509 1.00 0.00 C ATOM 763 NE ARG A 50 4.144 0.850 -0.212 1.00 0.00 N ATOM 764 CZ ARG A 50 5.358 1.346 -0.320 1.00 0.00 C ATOM 765 NH1 ARG A 50 5.621 2.478 -0.905 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.350 0.685 0.187 1.00 0.00 N ATOM 0 H ARG A 50 0.600 2.264 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 50 2.789 2.106 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.988 1.223 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.138 2.736 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.211 1.363 -1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.284 -0.023 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.974 2.565 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.143 1.231 0.281 1.00 0.00 H new ATOM 0 HE ARG A 50 4.093 -0.111 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.865 3.031 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.583 2.813 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.183 -0.203 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.299 1.053 0.114 1.00 0.00 H new ATOM 777 N GLU A 51 1.355 -0.771 -4.749 1.00 0.00 N ATOM 778 CA GLU A 51 1.272 -2.137 -5.283 1.00 0.00 C ATOM 779 C GLU A 51 0.995 -2.173 -6.800 1.00 0.00 C ATOM 780 O GLU A 51 1.515 -3.049 -7.496 1.00 0.00 O ATOM 781 CB GLU A 51 0.205 -2.911 -4.485 1.00 0.00 C ATOM 782 CG GLU A 51 0.265 -4.442 -4.626 1.00 0.00 C ATOM 783 CD GLU A 51 -0.325 -5.006 -5.934 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.400 -4.538 -6.385 1.00 0.00 O ATOM 785 OE2 GLU A 51 0.251 -5.974 -6.490 1.00 0.00 O ATOM 0 H GLU A 51 0.544 -0.506 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 51 2.243 -2.618 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.306 -2.655 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.781 -2.571 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.306 -4.757 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.265 -4.889 -3.785 1.00 0.00 H new ATOM 790 N MET A 52 0.214 -1.222 -7.332 1.00 0.00 N ATOM 791 CA MET A 52 -0.229 -1.207 -8.737 1.00 0.00 C ATOM 792 C MET A 52 0.696 -0.416 -9.676 1.00 0.00 C ATOM 793 O MET A 52 0.790 -0.753 -10.859 1.00 0.00 O ATOM 794 CB MET A 52 -1.692 -0.731 -8.842 1.00 0.00 C ATOM 795 CG MET A 52 -1.875 0.791 -8.923 1.00 0.00 C ATOM 796 SD MET A 52 -3.593 1.340 -8.751 1.00 0.00 S ATOM 797 CE MET A 52 -3.342 3.120 -8.974 1.00 0.00 C ATOM 0 H MET A 52 -0.134 -0.429 -6.792 1.00 0.00 H new ATOM 0 HA MET A 52 -0.170 -2.238 -9.085 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.143 -1.184 -9.725 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.242 -1.102 -7.977 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.275 1.260 -8.143 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.487 1.142 -9.879 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.280 3.645 -8.795 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.589 3.472 -8.269 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.006 3.315 -9.992 1.00 0.00 H new ATOM 805 N LEU A 53 1.389 0.618 -9.174 1.00 0.00 N ATOM 806 CA LEU A 53 2.380 1.381 -9.935 1.00 0.00 C ATOM 807 C LEU A 53 3.612 0.520 -10.268 1.00 0.00 C ATOM 808 O LEU A 53 3.875 0.254 -11.445 1.00 0.00 O ATOM 809 CB LEU A 53 2.765 2.667 -9.180 1.00 0.00 C ATOM 810 CG LEU A 53 1.789 3.846 -9.408 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.748 3.964 -8.295 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.590 5.148 -9.489 1.00 0.00 C ATOM 0 H LEU A 53 1.272 0.949 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 53 1.933 1.675 -10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.813 2.449 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.765 2.972 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 53 1.254 3.658 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.088 4.806 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.162 3.046 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.251 4.124 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.910 5.984 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.136 5.298 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.296 5.090 -10.318 1.00 0.00 H new ATOM 823 N GLY A 54 4.362 0.070 -9.252 1.00 0.00 N ATOM 824 CA GLY A 54 5.472 -0.873 -9.462 1.00 0.00 C ATOM 825 C GLY A 54 6.340 -1.262 -8.254 1.00 0.00 C ATOM 826 O GLY A 54 7.324 -1.983 -8.438 1.00 0.00 O ATOM 0 H GLY A 54 4.222 0.342 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.055 -1.789 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.130 -0.448 -10.220 1.00 0.00 H new ATOM 830 N ILE A 55 6.036 -0.795 -7.039 1.00 0.00 N ATOM 831 CA ILE A 55 6.839 -1.056 -5.833 1.00 0.00 C ATOM 832 C ILE A 55 6.544 -2.465 -5.263 1.00 0.00 C ATOM 833 O ILE A 55 5.375 -2.785 -5.016 1.00 0.00 O ATOM 834 CB ILE A 55 6.615 0.069 -4.797 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.336 1.342 -5.288 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.100 -0.324 -3.391 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.808 2.620 -4.634 1.00 0.00 C ATOM 0 H ILE A 55 5.215 -0.217 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 55 7.897 -1.050 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 55 5.544 0.252 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.403 1.250 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.225 1.421 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.920 0.500 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.557 -1.206 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.167 -0.545 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.355 3.480 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.748 2.733 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.944 2.559 -3.554 1.00 0.00 H new ATOM 848 N PRO A 56 7.580 -3.295 -5.012 1.00 0.00 N ATOM 849 CA PRO A 56 7.505 -4.526 -4.214 1.00 0.00 C ATOM 850 C PRO A 56 6.827 -4.299 -2.850 1.00 0.00 C ATOM 851 O PRO A 56 5.710 -4.769 -2.625 1.00 0.00 O ATOM 852 CB PRO A 56 8.960 -5.013 -4.069 1.00 0.00 C ATOM 853 CG PRO A 56 9.671 -4.410 -5.274 1.00 0.00 C ATOM 854 CD PRO A 56 8.945 -3.082 -5.465 1.00 0.00 C ATOM 0 HA PRO A 56 6.883 -5.276 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.403 -4.674 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.019 -6.101 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.735 -4.266 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.587 -5.047 -6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.426 -2.290 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.964 -2.775 -6.511 1.00 0.00 H new ATOM 859 N SER A 57 7.525 -3.556 -1.982 1.00 0.00 N ATOM 860 CA SER A 57 7.218 -2.899 -0.720 1.00 0.00 C ATOM 861 C SER A 57 8.568 -2.542 -0.111 1.00 0.00 C ATOM 862 O SER A 57 9.317 -3.424 0.296 1.00 0.00 O ATOM 863 CB SER A 57 6.387 -3.723 0.257 1.00 0.00 C ATOM 864 OG SER A 57 5.020 -3.550 -0.051 1.00 0.00 O ATOM 0 H SER A 57 8.504 -3.376 -2.205 1.00 0.00 H new ATOM 0 HA SER A 57 6.587 -2.033 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.659 -4.776 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.586 -3.408 1.281 1.00 0.00 H new ATOM 0 HG SER A 57 4.844 -3.884 -0.955 1.00 0.00 H new ATOM 869 N SER A 58 8.918 -1.257 -0.132 1.00 0.00 N ATOM 870 CA SER A 58 10.205 -0.594 0.172 1.00 0.00 C ATOM 871 C SER A 58 11.020 -1.062 1.395 1.00 0.00 C ATOM 872 O SER A 58 12.166 -0.636 1.548 1.00 0.00 O ATOM 873 CB SER A 58 9.979 0.920 0.286 1.00 0.00 C ATOM 874 OG SER A 58 9.124 1.401 -0.745 1.00 0.00 O ATOM 0 H SER A 58 8.222 -0.559 -0.395 1.00 0.00 H new ATOM 0 HA SER A 58 10.828 -0.893 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.544 1.151 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.938 1.436 0.235 1.00 0.00 H new ATOM 0 HG SER A 58 8.999 2.368 -0.642 1.00 0.00 H new ATOM 879 N ARG A 59 10.505 -1.978 2.224 1.00 0.00 N ATOM 880 CA ARG A 59 11.263 -2.698 3.264 1.00 0.00 C ATOM 881 C ARG A 59 12.249 -3.707 2.665 1.00 0.00 C ATOM 882 O ARG A 59 13.169 -4.142 3.355 1.00 0.00 O ATOM 883 CB ARG A 59 10.316 -3.377 4.276 1.00 0.00 C ATOM 884 CG ARG A 59 9.340 -4.408 3.681 1.00 0.00 C ATOM 885 CD ARG A 59 8.650 -5.207 4.797 1.00 0.00 C ATOM 886 NE ARG A 59 7.539 -6.031 4.273 1.00 0.00 N ATOM 887 CZ ARG A 59 6.429 -6.378 4.903 1.00 0.00 C ATOM 888 NH1 ARG A 59 6.188 -6.044 6.135 1.00 0.00 N ATOM 889 NH2 ARG A 59 5.510 -7.071 4.297 1.00 0.00 N ATOM 0 H ARG A 59 9.522 -2.249 2.192 1.00 0.00 H new ATOM 0 HA ARG A 59 11.853 -1.955 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.920 -3.871 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.737 -2.604 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.591 -3.899 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.878 -5.087 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.380 -5.850 5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.269 -4.521 5.554 1.00 0.00 H new ATOM 0 HE ARG A 59 7.640 -6.370 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.869 -5.492 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.318 -6.334 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.641 -7.353 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.658 -7.333 4.793 1.00 0.00 H new ATOM 900 N GLU A 60 12.080 -4.042 1.382 1.00 0.00 N ATOM 901 CA GLU A 60 12.945 -4.956 0.629 1.00 0.00 C ATOM 902 C GLU A 60 13.654 -4.331 -0.586 1.00 0.00 C ATOM 903 O GLU A 60 14.605 -4.921 -1.106 1.00 0.00 O ATOM 904 CB GLU A 60 12.195 -6.248 0.264 1.00 0.00 C ATOM 905 CG GLU A 60 10.845 -6.022 -0.427 1.00 0.00 C ATOM 906 CD GLU A 60 10.477 -7.215 -1.328 1.00 0.00 C ATOM 907 OE1 GLU A 60 11.025 -7.323 -2.452 1.00 0.00 O ATOM 908 OE2 GLU A 60 9.638 -8.057 -0.920 1.00 0.00 O ATOM 0 H GLU A 60 11.313 -3.673 0.821 1.00 0.00 H new ATOM 0 HA GLU A 60 13.761 -5.206 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.828 -6.849 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.032 -6.828 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.068 -5.876 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.886 -5.111 -1.024 1.00 0.00 H new ATOM 913 N ARG A 61 13.261 -3.119 -1.009 1.00 0.00 N ATOM 914 CA ARG A 61 14.007 -2.333 -2.011 1.00 0.00 C ATOM 915 C ARG A 61 15.349 -1.825 -1.477 1.00 0.00 C ATOM 916 O ARG A 61 16.379 -1.972 -2.140 1.00 0.00 O ATOM 917 CB ARG A 61 13.186 -1.132 -2.506 1.00 0.00 C ATOM 918 CG ARG A 61 11.886 -1.541 -3.210 1.00 0.00 C ATOM 919 CD ARG A 61 11.208 -0.297 -3.808 1.00 0.00 C ATOM 920 NE ARG A 61 11.890 0.150 -5.042 1.00 0.00 N ATOM 921 CZ ARG A 61 11.743 1.302 -5.674 1.00 0.00 C ATOM 922 NH1 ARG A 61 10.983 2.262 -5.242 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.360 1.537 -6.791 1.00 0.00 N ATOM 0 H ARG A 61 12.419 -2.655 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 61 14.199 -3.015 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.947 -0.489 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.794 -0.542 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.099 -2.265 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.215 -2.028 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.164 -0.520 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.214 0.510 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 61 12.552 -0.508 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.461 2.148 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.908 3.130 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.970 0.827 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.234 2.432 -7.265 1.00 0.00 H new ATOM 934 N ARG A 62 15.327 -1.190 -0.298 1.00 0.00 N ATOM 935 CA ARG A 62 16.455 -0.478 0.322 1.00 0.00 C ATOM 936 C ARG A 62 17.523 -1.419 0.899 1.00 0.00 C ATOM 937 O ARG A 62 18.705 -1.268 0.577 1.00 0.00 O ATOM 938 CB ARG A 62 15.849 0.461 1.380 1.00 0.00 C ATOM 939 CG ARG A 62 16.860 1.136 2.322 1.00 0.00 C ATOM 940 CD ARG A 62 16.542 0.766 3.772 1.00 0.00 C ATOM 941 NE ARG A 62 17.453 1.441 4.710 1.00 0.00 N ATOM 942 CZ ARG A 62 17.627 1.193 5.993 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.993 0.241 6.613 1.00 0.00 N ATOM 944 NH2 ARG A 62 18.447 1.926 6.688 1.00 0.00 N ATOM 0 H ARG A 62 14.485 -1.156 0.277 1.00 0.00 H new ATOM 0 HA ARG A 62 17.000 0.092 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.281 1.238 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.141 -0.108 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.873 0.821 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.822 2.218 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.512 1.040 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.621 -0.314 3.899 1.00 0.00 H new ATOM 0 HE ARG A 62 18.020 2.194 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.332 -0.347 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.157 0.082 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.953 2.690 6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.584 1.737 7.681 1.00 0.00 H new ATOM 955 N ILE A 63 17.111 -2.319 1.798 1.00 0.00 N ATOM 956 CA ILE A 63 17.975 -3.148 2.666 1.00 0.00 C ATOM 957 C ILE A 63 19.003 -4.008 1.904 1.00 0.00 C ATOM 958 O ILE A 63 20.163 -4.094 2.377 1.00 0.00 O ATOM 959 CB ILE A 63 17.098 -3.941 3.665 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.884 -4.473 4.882 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.369 -5.110 2.982 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.401 -3.361 5.805 1.00 0.00 C ATOM 963 OXT ILE A 63 18.675 -4.576 0.836 1.00 0.00 O ATOM 0 H ILE A 63 16.120 -2.503 1.953 1.00 0.00 H new ATOM 0 HA ILE A 63 18.613 -2.476 3.240 1.00 0.00 H new ATOM 0 HB ILE A 63 16.366 -3.221 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.243 -5.142 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.729 -5.065 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.764 -5.641 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.724 -4.725 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.101 -5.794 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.944 -3.804 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.068 -2.705 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.559 -2.783 6.186 1.00 0.00 H new