USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot 180:sc= 0.311 USER MOD Set 1.2: A 72 MET CE :methyl 177:sc= -0.462 (180deg=-0.306) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.393 X(o=-0.086,f=-0.27) USER MOD Set 2.2: A 56 GLN : amide:sc= -0.479 X(o=-0.086,f=-0.27) USER MOD Set 3.1: A 23 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 3.2: A 26 MET CE :methyl 143:sc= -1.19 (180deg=-2.06!) USER MOD Set 4.1: A 19 GLN : amide:sc= 0.228 X(o=0.27,f=-0.11) USER MOD Set 4.2: A 20 GLN : amide:sc= 0.0396 X(o=0.27,f=0.13) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.847 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -34:sc= 0.415 USER MOD Single : A 30 MET CE :methyl -143:sc= -0.415 (180deg=-2.53!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -6.04! K(o=-6!,f=-2.9) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 99:sc= 0.141 USER MOD Single : A 62 THR OG1 : rot -162:sc= 0.347 USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000878 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.896 USER MOD Single : A 69 HIS : no HD1:sc= -0.682 K(o=-0.68,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.281 5.204 -4.674 1.00 0.00 N ATOM 2 CA TYR A 14 -11.129 5.497 -3.787 1.00 0.00 C ATOM 3 C TYR A 14 -9.825 4.837 -4.277 1.00 0.00 C ATOM 4 O TYR A 14 -8.745 5.418 -4.138 1.00 0.00 O ATOM 5 CB TYR A 14 -11.433 5.071 -2.326 1.00 0.00 C ATOM 6 CG TYR A 14 -10.336 5.495 -1.324 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.092 6.852 -1.068 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.528 4.556 -0.667 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.093 7.250 -0.205 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.532 4.957 0.203 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.317 6.304 0.426 1.00 0.00 C ATOM 12 OH TYR A 14 -7.318 6.712 1.278 1.00 0.00 O ATOM 0 HA TYR A 14 -10.977 6.576 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.384 5.506 -2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.551 3.988 -2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.699 7.600 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.687 3.502 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.920 8.301 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.924 4.220 0.707 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.568 7.565 1.691 1.00 0.00 H new ATOM 22 N GLY A 15 -9.945 3.634 -4.851 1.00 0.00 N ATOM 23 CA GLY A 15 -8.796 2.907 -5.386 1.00 0.00 C ATOM 24 C GLY A 15 -8.193 3.579 -6.599 1.00 0.00 C ATOM 25 O GLY A 15 -6.975 3.574 -6.814 1.00 0.00 O ATOM 0 H GLY A 15 -10.834 3.144 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.035 2.816 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.103 1.895 -5.651 1.00 0.00 H new ATOM 29 N GLU A 16 -9.078 4.135 -7.399 1.00 0.00 N ATOM 30 CA GLU A 16 -8.742 4.887 -8.586 1.00 0.00 C ATOM 31 C GLU A 16 -8.175 6.264 -8.201 1.00 0.00 C ATOM 32 O GLU A 16 -7.294 6.782 -8.883 1.00 0.00 O ATOM 33 CB GLU A 16 -10.001 5.000 -9.469 1.00 0.00 C ATOM 34 CG GLU A 16 -10.640 3.634 -9.861 1.00 0.00 C ATOM 35 CD GLU A 16 -11.757 3.133 -8.912 1.00 0.00 C ATOM 36 OE1 GLU A 16 -11.448 2.648 -7.799 1.00 0.00 O ATOM 37 OE2 GLU A 16 -12.949 3.236 -9.274 1.00 0.00 O ATOM 0 H GLU A 16 -10.083 4.073 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.966 4.376 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.746 5.598 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.743 5.541 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.051 3.718 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.853 2.881 -9.900 1.00 0.00 H new ATOM 44 N TYR A 17 -8.683 6.821 -7.078 1.00 0.00 N ATOM 45 CA TYR A 17 -8.270 8.136 -6.555 1.00 0.00 C ATOM 46 C TYR A 17 -6.826 8.088 -6.035 1.00 0.00 C ATOM 47 O TYR A 17 -6.008 8.947 -6.398 1.00 0.00 O ATOM 48 CB TYR A 17 -9.239 8.596 -5.421 1.00 0.00 C ATOM 49 CG TYR A 17 -8.730 9.796 -4.586 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.775 11.101 -5.084 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.170 9.610 -3.312 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.284 12.167 -4.350 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.685 10.674 -2.577 1.00 0.00 C ATOM 54 CZ TYR A 17 -7.742 11.950 -3.098 1.00 0.00 C ATOM 55 OH TYR A 17 -7.250 13.017 -2.372 1.00 0.00 O ATOM 0 H TYR A 17 -9.395 6.365 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.315 8.858 -7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.198 8.861 -5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.419 7.755 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.201 11.281 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.117 8.614 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.325 13.167 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.262 10.507 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.905 12.697 -1.513 1.00 0.00 H new ATOM 65 N VAL A 18 -6.525 7.068 -5.192 1.00 0.00 N ATOM 66 CA VAL A 18 -5.179 6.889 -4.607 1.00 0.00 C ATOM 67 C VAL A 18 -4.139 6.727 -5.718 1.00 0.00 C ATOM 68 O VAL A 18 -3.082 7.325 -5.643 1.00 0.00 O ATOM 69 CB VAL A 18 -5.078 5.696 -3.564 1.00 0.00 C ATOM 70 CG1 VAL A 18 -5.899 5.996 -2.289 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.497 4.345 -4.176 1.00 0.00 C ATOM 0 H VAL A 18 -7.199 6.359 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.973 7.794 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.027 5.613 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.810 5.161 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.520 6.903 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.947 6.136 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.410 3.562 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.530 4.406 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.848 4.111 -5.019 1.00 0.00 H new ATOM 81 N GLN A 19 -4.519 5.991 -6.784 1.00 0.00 N ATOM 82 CA GLN A 19 -3.663 5.729 -7.957 1.00 0.00 C ATOM 83 C GLN A 19 -3.197 7.046 -8.627 1.00 0.00 C ATOM 84 O GLN A 19 -2.041 7.153 -9.046 1.00 0.00 O ATOM 85 CB GLN A 19 -4.445 4.807 -8.952 1.00 0.00 C ATOM 86 CG GLN A 19 -3.642 4.254 -10.172 1.00 0.00 C ATOM 87 CD GLN A 19 -3.756 5.097 -11.455 1.00 0.00 C ATOM 88 OE1 GLN A 19 -4.659 4.889 -12.270 1.00 0.00 O ATOM 89 NE2 GLN A 19 -2.851 6.047 -11.642 1.00 0.00 N ATOM 0 H GLN A 19 -5.440 5.558 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.755 5.217 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.840 3.959 -8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.301 5.365 -9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.591 4.181 -9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.986 3.242 -10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.116 6.195 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.889 6.630 -12.478 1.00 0.00 H new ATOM 98 N GLN A 20 -4.100 8.051 -8.690 1.00 0.00 N ATOM 99 CA GLN A 20 -3.812 9.336 -9.369 1.00 0.00 C ATOM 100 C GLN A 20 -2.932 10.252 -8.487 1.00 0.00 C ATOM 101 O GLN A 20 -1.980 10.866 -8.977 1.00 0.00 O ATOM 102 CB GLN A 20 -5.119 10.082 -9.763 1.00 0.00 C ATOM 103 CG GLN A 20 -6.197 9.226 -10.463 1.00 0.00 C ATOM 104 CD GLN A 20 -5.715 8.428 -11.682 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.827 8.849 -12.424 1.00 0.00 O ATOM 106 NE2 GLN A 20 -6.293 7.250 -11.879 1.00 0.00 N ATOM 0 H GLN A 20 -5.032 7.998 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.265 9.095 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.554 10.514 -8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.857 10.911 -10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.613 8.529 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.010 9.881 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.026 6.929 -11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.004 6.665 -12.663 1.00 0.00 H new ATOM 115 N THR A 21 -3.250 10.324 -7.177 1.00 0.00 N ATOM 116 CA THR A 21 -2.573 11.246 -6.226 1.00 0.00 C ATOM 117 C THR A 21 -1.310 10.608 -5.580 1.00 0.00 C ATOM 118 O THR A 21 -0.642 11.243 -4.756 1.00 0.00 O ATOM 119 CB THR A 21 -3.583 11.732 -5.120 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.006 12.768 -4.299 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.083 10.582 -4.228 1.00 0.00 C ATOM 0 H THR A 21 -3.976 9.752 -6.747 1.00 0.00 H new ATOM 0 HA THR A 21 -2.233 12.109 -6.798 1.00 0.00 H new ATOM 0 HB THR A 21 -4.442 12.137 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.044 12.608 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.776 10.974 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.592 9.840 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.235 10.117 -3.725 1.00 0.00 H new ATOM 129 N LEU A 22 -0.977 9.363 -5.981 1.00 0.00 N ATOM 130 CA LEU A 22 0.118 8.571 -5.367 1.00 0.00 C ATOM 131 C LEU A 22 1.503 9.063 -5.851 1.00 0.00 C ATOM 132 O LEU A 22 1.758 9.121 -7.056 1.00 0.00 O ATOM 133 CB LEU A 22 -0.083 7.061 -5.695 1.00 0.00 C ATOM 134 CG LEU A 22 0.621 6.035 -4.764 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.286 6.278 -3.281 1.00 0.00 C ATOM 136 CD2 LEU A 22 0.259 4.590 -5.169 1.00 0.00 C ATOM 0 H LEU A 22 -1.457 8.876 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 22 0.085 8.707 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.153 6.851 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.264 6.887 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 22 1.695 6.175 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.799 5.538 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.612 7.278 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.790 6.190 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.763 3.889 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.819 4.450 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.578 4.409 -6.196 1.00 0.00 H new ATOM 148 N GLN A 23 2.386 9.410 -4.899 1.00 0.00 N ATOM 149 CA GLN A 23 3.720 9.984 -5.185 1.00 0.00 C ATOM 150 C GLN A 23 4.813 8.992 -4.751 1.00 0.00 C ATOM 151 O GLN A 23 4.792 8.563 -3.593 1.00 0.00 O ATOM 152 CB GLN A 23 3.898 11.322 -4.424 1.00 0.00 C ATOM 153 CG GLN A 23 2.842 12.392 -4.749 1.00 0.00 C ATOM 154 CD GLN A 23 3.026 13.658 -3.916 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.488 13.774 -2.814 1.00 0.00 O ATOM 156 NE2 GLN A 23 3.805 14.603 -4.423 1.00 0.00 N ATOM 0 H GLN A 23 2.197 9.301 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 23 3.804 10.171 -6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.874 11.121 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.885 11.725 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.898 12.645 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.847 11.984 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.234 14.473 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.975 15.460 -3.897 1.00 0.00 H new ATOM 165 N PRO A 24 5.757 8.593 -5.674 1.00 0.00 N ATOM 166 CA PRO A 24 6.870 7.642 -5.380 1.00 0.00 C ATOM 167 C PRO A 24 7.697 7.990 -4.118 1.00 0.00 C ATOM 168 O PRO A 24 8.705 8.701 -4.190 1.00 0.00 O ATOM 169 CB PRO A 24 7.721 7.682 -6.678 1.00 0.00 C ATOM 170 CG PRO A 24 6.737 8.028 -7.748 1.00 0.00 C ATOM 171 CD PRO A 24 5.783 9.008 -7.103 1.00 0.00 C ATOM 0 HA PRO A 24 6.493 6.649 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.515 8.426 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.199 6.722 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.233 8.471 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.212 7.141 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.129 10.035 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.791 8.955 -7.553 1.00 0.00 H new ATOM 179 N GLY A 25 7.203 7.530 -2.954 1.00 0.00 N ATOM 180 CA GLY A 25 7.909 7.654 -1.676 1.00 0.00 C ATOM 181 C GLY A 25 7.072 8.373 -0.637 1.00 0.00 C ATOM 182 O GLY A 25 7.619 8.999 0.280 1.00 0.00 O ATOM 0 H GLY A 25 6.300 7.061 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.171 6.662 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.843 8.195 -1.828 1.00 0.00 H new ATOM 186 N MET A 26 5.732 8.290 -0.778 1.00 0.00 N ATOM 187 CA MET A 26 4.795 8.937 0.161 1.00 0.00 C ATOM 188 C MET A 26 4.403 7.974 1.293 1.00 0.00 C ATOM 189 O MET A 26 4.735 6.786 1.271 1.00 0.00 O ATOM 190 CB MET A 26 3.519 9.471 -0.550 1.00 0.00 C ATOM 191 CG MET A 26 2.593 8.401 -1.155 1.00 0.00 C ATOM 192 SD MET A 26 0.861 8.922 -1.196 1.00 0.00 S ATOM 193 CE MET A 26 0.940 10.536 -1.974 1.00 0.00 C ATOM 0 H MET A 26 5.276 7.780 -1.535 1.00 0.00 H new ATOM 0 HA MET A 26 5.318 9.794 0.585 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.945 10.058 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.826 10.150 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.923 8.171 -2.168 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.678 7.482 -0.575 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.075 10.670 -2.623 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.941 11.310 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.852 10.610 -2.566 1.00 0.00 H new ATOM 203 N ARG A 27 3.632 8.507 2.234 1.00 0.00 N ATOM 204 CA ARG A 27 3.297 7.850 3.501 1.00 0.00 C ATOM 205 C ARG A 27 1.948 7.111 3.370 1.00 0.00 C ATOM 206 O ARG A 27 0.938 7.699 2.969 1.00 0.00 O ATOM 207 CB ARG A 27 3.276 8.921 4.622 1.00 0.00 C ATOM 208 CG ARG A 27 3.108 8.385 6.054 1.00 0.00 C ATOM 209 CD ARG A 27 4.153 7.315 6.425 1.00 0.00 C ATOM 210 NE ARG A 27 4.135 6.987 7.858 1.00 0.00 N ATOM 211 CZ ARG A 27 3.126 6.394 8.508 1.00 0.00 C ATOM 212 NH1 ARG A 27 2.022 6.021 7.866 1.00 0.00 N ATOM 213 NH2 ARG A 27 3.238 6.168 9.808 1.00 0.00 N ATOM 0 H ARG A 27 3.210 9.431 2.139 1.00 0.00 H new ATOM 0 HA ARG A 27 4.045 7.100 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.205 9.490 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.464 9.619 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.181 9.215 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.109 7.962 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.965 6.411 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.146 7.670 6.149 1.00 0.00 H new ATOM 0 HE ARG A 27 4.961 7.232 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.935 6.186 6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.263 5.570 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.086 6.445 10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.476 5.717 10.315 1.00 0.00 H new ATOM 227 N VAL A 28 1.963 5.814 3.714 1.00 0.00 N ATOM 228 CA VAL A 28 0.872 4.859 3.431 1.00 0.00 C ATOM 229 C VAL A 28 0.282 4.270 4.746 1.00 0.00 C ATOM 230 O VAL A 28 0.916 4.311 5.801 1.00 0.00 O ATOM 231 CB VAL A 28 1.430 3.720 2.470 1.00 0.00 C ATOM 232 CG1 VAL A 28 0.503 2.489 2.344 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.756 4.303 1.071 1.00 0.00 C ATOM 0 H VAL A 28 2.748 5.388 4.207 1.00 0.00 H new ATOM 0 HA VAL A 28 0.052 5.376 2.932 1.00 0.00 H new ATOM 0 HB VAL A 28 2.344 3.355 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.956 1.760 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.361 2.038 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.462 2.800 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.136 3.511 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.851 4.724 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.510 5.084 1.169 1.00 0.00 H new ATOM 243 N ARG A 29 -0.946 3.739 4.634 1.00 0.00 N ATOM 244 CA ARG A 29 -1.729 3.093 5.707 1.00 0.00 C ATOM 245 C ARG A 29 -2.467 1.858 5.108 1.00 0.00 C ATOM 246 O ARG A 29 -2.770 1.827 3.908 1.00 0.00 O ATOM 247 CB ARG A 29 -2.745 4.131 6.276 1.00 0.00 C ATOM 248 CG ARG A 29 -3.849 3.570 7.205 1.00 0.00 C ATOM 249 CD ARG A 29 -3.317 3.065 8.545 1.00 0.00 C ATOM 250 NE ARG A 29 -2.854 4.163 9.411 1.00 0.00 N ATOM 251 CZ ARG A 29 -3.348 4.459 10.627 1.00 0.00 C ATOM 252 NH1 ARG A 29 -4.377 3.784 11.138 1.00 0.00 N ATOM 253 NH2 ARG A 29 -2.803 5.441 11.325 1.00 0.00 N ATOM 0 H ARG A 29 -1.449 3.748 3.747 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.083 2.756 6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.188 4.890 6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.226 4.634 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.590 4.348 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.362 2.754 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.100 2.506 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.494 2.372 8.369 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.096 4.748 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.805 3.027 10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.736 4.024 12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.017 5.965 10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.169 5.675 12.248 1.00 0.00 H new ATOM 267 N MET A 30 -2.736 0.840 5.948 1.00 0.00 N ATOM 268 CA MET A 30 -3.472 -0.372 5.547 1.00 0.00 C ATOM 269 C MET A 30 -4.962 -0.206 5.891 1.00 0.00 C ATOM 270 O MET A 30 -5.311 -0.081 7.071 1.00 0.00 O ATOM 271 CB MET A 30 -2.872 -1.612 6.264 1.00 0.00 C ATOM 272 CG MET A 30 -3.340 -2.990 5.765 1.00 0.00 C ATOM 273 SD MET A 30 -2.588 -3.522 4.198 1.00 0.00 S ATOM 274 CE MET A 30 -3.581 -2.709 2.942 1.00 0.00 C ATOM 0 H MET A 30 -2.448 0.836 6.926 1.00 0.00 H new ATOM 0 HA MET A 30 -3.379 -0.520 4.471 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.787 -1.567 6.172 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.105 -1.537 7.326 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.118 -3.734 6.530 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.423 -2.970 5.645 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.699 -3.373 2.085 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.562 -2.469 3.353 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.086 -1.791 2.625 1.00 0.00 H new ATOM 284 N LEU A 31 -5.823 -0.180 4.857 1.00 0.00 N ATOM 285 CA LEU A 31 -7.275 0.024 5.020 1.00 0.00 C ATOM 286 C LEU A 31 -7.993 -1.309 5.359 1.00 0.00 C ATOM 287 O LEU A 31 -9.016 -1.303 6.057 1.00 0.00 O ATOM 288 CB LEU A 31 -7.868 0.681 3.738 1.00 0.00 C ATOM 289 CG LEU A 31 -9.380 1.077 3.763 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.710 2.032 4.931 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.805 1.691 2.410 1.00 0.00 C ATOM 0 H LEU A 31 -5.533 -0.300 3.887 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.440 0.700 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.289 1.579 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.714 -0.006 2.906 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.953 0.164 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.771 2.280 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.470 1.546 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.122 2.944 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.861 1.960 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.210 2.583 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.644 0.964 1.614 1.00 0.00 H new ATOM 303 N ASP A 32 -7.444 -2.454 4.894 1.00 0.00 N ATOM 304 CA ASP A 32 -8.031 -3.793 5.160 1.00 0.00 C ATOM 305 C ASP A 32 -6.938 -4.804 5.517 1.00 0.00 C ATOM 306 O ASP A 32 -5.796 -4.655 5.093 1.00 0.00 O ATOM 307 CB ASP A 32 -8.833 -4.292 3.938 1.00 0.00 C ATOM 308 CG ASP A 32 -9.671 -5.555 4.227 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.733 -5.428 4.880 1.00 0.00 O ATOM 310 OD2 ASP A 32 -9.276 -6.670 3.816 1.00 0.00 O ATOM 0 H ASP A 32 -6.594 -2.480 4.331 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.709 -3.698 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.495 -3.496 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.142 -4.503 3.121 1.00 0.00 H new ATOM 315 N ASP A 33 -7.327 -5.849 6.268 1.00 0.00 N ATOM 316 CA ASP A 33 -6.401 -6.884 6.775 1.00 0.00 C ATOM 317 C ASP A 33 -5.784 -7.701 5.629 1.00 0.00 C ATOM 318 O ASP A 33 -6.434 -7.979 4.621 1.00 0.00 O ATOM 319 CB ASP A 33 -7.116 -7.829 7.778 1.00 0.00 C ATOM 320 CG ASP A 33 -7.580 -7.101 9.049 1.00 0.00 C ATOM 321 OD1 ASP A 33 -6.763 -6.925 9.974 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.759 -6.673 9.116 1.00 0.00 O ATOM 0 H ASP A 33 -8.297 -6.003 6.543 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.595 -6.366 7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.977 -8.285 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.440 -8.638 8.054 1.00 0.00 H new ATOM 327 N TYR A 34 -4.523 -8.078 5.817 1.00 0.00 N ATOM 328 CA TYR A 34 -3.699 -8.783 4.827 1.00 0.00 C ATOM 329 C TYR A 34 -2.980 -9.970 5.482 1.00 0.00 C ATOM 330 O TYR A 34 -3.103 -10.200 6.690 1.00 0.00 O ATOM 331 CB TYR A 34 -2.710 -7.794 4.114 1.00 0.00 C ATOM 332 CG TYR A 34 -3.217 -7.360 2.736 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.164 -6.341 2.602 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.791 -8.008 1.577 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.657 -5.984 1.367 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.277 -7.648 0.340 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.211 -6.641 0.239 1.00 0.00 C ATOM 338 OH TYR A 34 -4.706 -6.285 -0.996 1.00 0.00 O ATOM 0 H TYR A 34 -4.026 -7.898 6.689 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.346 -9.188 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.566 -6.913 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.736 -8.272 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.515 -5.824 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.067 -8.806 1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.389 -5.194 1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.927 -8.154 -0.548 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.291 -6.841 -1.688 1.00 0.00 H new ATOM 348 N GLU A 35 -2.283 -10.731 4.641 1.00 0.00 N ATOM 349 CA GLU A 35 -1.617 -12.004 5.000 1.00 0.00 C ATOM 350 C GLU A 35 -0.599 -11.813 6.151 1.00 0.00 C ATOM 351 O GLU A 35 -0.646 -12.516 7.165 1.00 0.00 O ATOM 352 CB GLU A 35 -0.906 -12.573 3.730 1.00 0.00 C ATOM 353 CG GLU A 35 -1.723 -12.437 2.421 1.00 0.00 C ATOM 354 CD GLU A 35 -3.096 -13.127 2.462 1.00 0.00 C ATOM 355 OE1 GLU A 35 -3.165 -14.354 2.233 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.115 -12.443 2.717 1.00 0.00 O ATOM 0 H GLU A 35 -2.156 -10.481 3.660 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.370 -12.708 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.048 -12.061 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.682 -13.627 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.867 -11.379 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.143 -12.855 1.598 1.00 0.00 H new ATOM 363 N GLU A 36 0.301 -10.833 5.971 1.00 0.00 N ATOM 364 CA GLU A 36 1.375 -10.505 6.947 1.00 0.00 C ATOM 365 C GLU A 36 1.248 -9.057 7.473 1.00 0.00 C ATOM 366 O GLU A 36 2.072 -8.609 8.273 1.00 0.00 O ATOM 367 CB GLU A 36 2.761 -10.753 6.281 1.00 0.00 C ATOM 368 CG GLU A 36 2.939 -10.073 4.908 1.00 0.00 C ATOM 369 CD GLU A 36 4.270 -10.409 4.215 1.00 0.00 C ATOM 370 OE1 GLU A 36 4.511 -11.596 3.920 1.00 0.00 O ATOM 371 OE2 GLU A 36 5.070 -9.493 3.939 1.00 0.00 O ATOM 0 H GLU A 36 0.312 -10.238 5.143 1.00 0.00 H new ATOM 0 HA GLU A 36 1.275 -11.156 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.542 -10.397 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.907 -11.827 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.117 -10.370 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.870 -8.993 5.037 1.00 0.00 H new ATOM 378 N ILE A 37 0.223 -8.328 6.994 1.00 0.00 N ATOM 379 CA ILE A 37 -0.110 -6.956 7.449 1.00 0.00 C ATOM 380 C ILE A 37 -1.537 -6.966 8.026 1.00 0.00 C ATOM 381 O ILE A 37 -2.360 -7.725 7.560 1.00 0.00 O ATOM 382 CB ILE A 37 -0.022 -5.877 6.287 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.269 -6.049 5.413 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.110 -4.441 6.854 1.00 0.00 C ATOM 385 CD1 ILE A 37 1.122 -7.015 4.254 1.00 0.00 C ATOM 0 H ILE A 37 -0.408 -8.675 6.271 1.00 0.00 H new ATOM 0 HA ILE A 37 0.624 -6.670 8.202 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.879 -6.045 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.560 -5.074 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.082 -6.391 6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.047 -3.723 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.058 -4.314 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.713 -4.273 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.062 -7.071 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.864 -8.003 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.333 -6.666 3.587 1.00 0.00 H new ATOM 397 N SER A 38 -1.832 -6.162 9.053 1.00 0.00 N ATOM 398 CA SER A 38 -3.220 -6.006 9.562 1.00 0.00 C ATOM 399 C SER A 38 -3.734 -4.585 9.265 1.00 0.00 C ATOM 400 O SER A 38 -2.936 -3.673 9.009 1.00 0.00 O ATOM 401 CB SER A 38 -3.275 -6.321 11.073 1.00 0.00 C ATOM 402 OG SER A 38 -2.843 -7.647 11.337 1.00 0.00 O ATOM 0 H SER A 38 -1.139 -5.606 9.554 1.00 0.00 H new ATOM 0 HA SER A 38 -3.871 -6.715 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.647 -5.616 11.617 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.293 -6.188 11.438 1.00 0.00 H new ATOM 0 HG SER A 38 -2.886 -7.819 12.301 1.00 0.00 H new ATOM 408 N ALA A 39 -5.072 -4.409 9.282 1.00 0.00 N ATOM 409 CA ALA A 39 -5.707 -3.098 9.064 1.00 0.00 C ATOM 410 C ALA A 39 -5.335 -2.144 10.215 1.00 0.00 C ATOM 411 O ALA A 39 -5.642 -2.427 11.382 1.00 0.00 O ATOM 412 CB ALA A 39 -7.228 -3.258 8.944 1.00 0.00 C ATOM 0 H ALA A 39 -5.735 -5.166 9.446 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.343 -2.669 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.685 -2.282 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.460 -3.910 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.621 -3.696 9.861 1.00 0.00 H new ATOM 418 N GLY A 40 -4.639 -1.047 9.876 1.00 0.00 N ATOM 419 CA GLY A 40 -4.111 -0.093 10.859 1.00 0.00 C ATOM 420 C GLY A 40 -2.607 0.088 10.726 1.00 0.00 C ATOM 421 O GLY A 40 -2.079 1.173 11.005 1.00 0.00 O ATOM 0 H GLY A 40 -4.427 -0.798 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.605 0.870 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.347 -0.441 11.865 1.00 0.00 H new ATOM 425 N ASP A 41 -1.916 -0.982 10.285 1.00 0.00 N ATOM 426 CA ASP A 41 -0.457 -0.967 10.040 1.00 0.00 C ATOM 427 C ASP A 41 -0.110 -0.068 8.856 1.00 0.00 C ATOM 428 O ASP A 41 -0.931 0.148 7.974 1.00 0.00 O ATOM 429 CB ASP A 41 0.070 -2.398 9.819 1.00 0.00 C ATOM 430 CG ASP A 41 0.008 -3.244 11.099 1.00 0.00 C ATOM 431 OD1 ASP A 41 0.977 -3.217 11.887 1.00 0.00 O ATOM 432 OD2 ASP A 41 -1.011 -3.918 11.339 1.00 0.00 O ATOM 0 H ASP A 41 -2.353 -1.882 10.088 1.00 0.00 H new ATOM 0 HA ASP A 41 0.032 -0.557 10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.515 -2.882 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.100 -2.353 9.465 1.00 0.00 H new ATOM 437 N GLU A 42 1.120 0.475 8.851 1.00 0.00 N ATOM 438 CA GLU A 42 1.500 1.574 7.939 1.00 0.00 C ATOM 439 C GLU A 42 2.771 1.252 7.142 1.00 0.00 C ATOM 440 O GLU A 42 3.604 0.433 7.554 1.00 0.00 O ATOM 441 CB GLU A 42 1.640 2.885 8.751 1.00 0.00 C ATOM 442 CG GLU A 42 0.330 3.291 9.459 1.00 0.00 C ATOM 443 CD GLU A 42 0.402 4.610 10.230 1.00 0.00 C ATOM 444 OE1 GLU A 42 1.072 4.658 11.276 1.00 0.00 O ATOM 445 OE2 GLU A 42 -0.187 5.617 9.774 1.00 0.00 O ATOM 0 H GLU A 42 1.872 0.171 9.470 1.00 0.00 H new ATOM 0 HA GLU A 42 0.711 1.701 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.428 2.764 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.952 3.689 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.462 3.364 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.045 2.497 10.150 1.00 0.00 H new ATOM 452 N GLY A 43 2.880 1.905 5.972 1.00 0.00 N ATOM 453 CA GLY A 43 3.912 1.622 4.983 1.00 0.00 C ATOM 454 C GLY A 43 4.396 2.869 4.281 1.00 0.00 C ATOM 455 O GLY A 43 4.072 3.991 4.692 1.00 0.00 O ATOM 0 H GLY A 43 2.243 2.651 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.755 1.133 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.521 0.921 4.245 1.00 0.00 H new ATOM 459 N GLU A 44 5.184 2.668 3.217 1.00 0.00 N ATOM 460 CA GLU A 44 5.616 3.737 2.308 1.00 0.00 C ATOM 461 C GLU A 44 5.489 3.223 0.876 1.00 0.00 C ATOM 462 O GLU A 44 5.786 2.052 0.613 1.00 0.00 O ATOM 463 CB GLU A 44 7.074 4.191 2.598 1.00 0.00 C ATOM 464 CG GLU A 44 7.582 5.329 1.681 1.00 0.00 C ATOM 465 CD GLU A 44 8.968 5.862 2.071 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.047 6.778 2.913 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.985 5.362 1.556 1.00 0.00 O ATOM 0 H GLU A 44 5.543 1.748 2.960 1.00 0.00 H new ATOM 0 HA GLU A 44 4.982 4.611 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.140 4.519 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.737 3.332 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.617 4.967 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.866 6.151 1.705 1.00 0.00 H new ATOM 474 N PHE A 45 5.036 4.095 -0.033 1.00 0.00 N ATOM 475 CA PHE A 45 4.892 3.767 -1.454 1.00 0.00 C ATOM 476 C PHE A 45 6.271 3.678 -2.131 1.00 0.00 C ATOM 477 O PHE A 45 7.056 4.623 -2.062 1.00 0.00 O ATOM 478 CB PHE A 45 3.992 4.805 -2.160 1.00 0.00 C ATOM 479 CG PHE A 45 3.891 4.581 -3.660 1.00 0.00 C ATOM 480 CD1 PHE A 45 3.499 3.351 -4.170 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.225 5.582 -4.554 1.00 0.00 C ATOM 482 CE1 PHE A 45 3.439 3.151 -5.521 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.167 5.374 -5.913 1.00 0.00 C ATOM 484 CZ PHE A 45 3.777 4.160 -6.393 1.00 0.00 C ATOM 0 H PHE A 45 4.759 5.049 0.198 1.00 0.00 H new ATOM 0 HA PHE A 45 4.413 2.792 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.993 4.768 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.384 5.805 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.240 2.548 -3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.537 6.545 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.124 2.193 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.429 6.169 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.733 3.990 -7.459 1.00 0.00 H new ATOM 494 N ARG A 46 6.557 2.521 -2.768 1.00 0.00 N ATOM 495 CA ARG A 46 7.880 2.247 -3.371 1.00 0.00 C ATOM 496 C ARG A 46 7.805 2.261 -4.911 1.00 0.00 C ATOM 497 O ARG A 46 8.630 2.891 -5.571 1.00 0.00 O ATOM 498 CB ARG A 46 8.424 0.878 -2.868 1.00 0.00 C ATOM 499 CG ARG A 46 8.300 0.616 -1.347 1.00 0.00 C ATOM 500 CD ARG A 46 8.809 1.780 -0.476 1.00 0.00 C ATOM 501 NE ARG A 46 10.210 2.154 -0.752 1.00 0.00 N ATOM 502 CZ ARG A 46 10.635 3.399 -1.041 1.00 0.00 C ATOM 503 NH1 ARG A 46 9.770 4.400 -1.213 1.00 0.00 N ATOM 504 NH2 ARG A 46 11.925 3.627 -1.200 1.00 0.00 N ATOM 0 H ARG A 46 5.887 1.760 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 46 8.564 3.037 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.898 0.084 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.476 0.803 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.255 0.422 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.858 -0.286 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.171 2.649 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.715 1.505 0.575 1.00 0.00 H new ATOM 0 HE ARG A 46 10.910 1.413 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.768 4.229 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.110 5.336 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.594 2.863 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.253 4.568 -1.419 1.00 0.00 H new ATOM 518 N GLN A 47 6.801 1.549 -5.465 1.00 0.00 N ATOM 519 CA GLN A 47 6.581 1.435 -6.931 1.00 0.00 C ATOM 520 C GLN A 47 5.197 0.827 -7.210 1.00 0.00 C ATOM 521 O GLN A 47 4.702 0.001 -6.424 1.00 0.00 O ATOM 522 CB GLN A 47 7.690 0.583 -7.640 1.00 0.00 C ATOM 523 CG GLN A 47 7.722 -0.935 -7.290 1.00 0.00 C ATOM 524 CD GLN A 47 8.090 -1.228 -5.836 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.262 -1.388 -5.501 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.100 -1.268 -4.957 1.00 0.00 N ATOM 0 H GLN A 47 6.116 1.034 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 47 6.634 2.443 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.562 0.683 -8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.661 1.012 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.744 -1.367 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.438 -1.433 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.138 -1.131 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.300 -1.435 -3.971 1.00 0.00 H new ATOM 535 N SER A 48 4.582 1.247 -8.324 1.00 0.00 N ATOM 536 CA SER A 48 3.218 0.845 -8.704 1.00 0.00 C ATOM 537 C SER A 48 3.210 0.077 -10.024 1.00 0.00 C ATOM 538 O SER A 48 4.242 -0.042 -10.704 1.00 0.00 O ATOM 539 CB SER A 48 2.332 2.105 -8.831 1.00 0.00 C ATOM 540 OG SER A 48 2.910 3.058 -9.709 1.00 0.00 O ATOM 0 H SER A 48 5.020 1.880 -8.993 1.00 0.00 H new ATOM 0 HA SER A 48 2.826 0.186 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.345 1.822 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.191 2.553 -7.847 1.00 0.00 H new ATOM 0 HG SER A 48 2.326 3.843 -9.770 1.00 0.00 H new ATOM 546 N ASN A 49 2.024 -0.448 -10.369 1.00 0.00 N ATOM 547 CA ASN A 49 1.778 -1.132 -11.643 1.00 0.00 C ATOM 548 C ASN A 49 0.531 -0.520 -12.300 1.00 0.00 C ATOM 549 O ASN A 49 -0.558 -0.552 -11.717 1.00 0.00 O ATOM 550 CB ASN A 49 1.578 -2.654 -11.423 1.00 0.00 C ATOM 551 CG ASN A 49 2.724 -3.312 -10.648 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.750 -3.671 -11.220 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.543 -3.499 -9.344 1.00 0.00 N ATOM 0 H ASN A 49 1.203 -0.408 -9.765 1.00 0.00 H new ATOM 0 HA ASN A 49 2.642 -1.001 -12.295 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.645 -2.816 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.476 -3.143 -12.392 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.268 -3.952 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.679 -3.189 -8.899 1.00 0.00 H new ATOM 560 N ASN A 50 0.700 0.038 -13.507 1.00 0.00 N ATOM 561 CA ASN A 50 -0.394 0.678 -14.262 1.00 0.00 C ATOM 562 C ASN A 50 -1.110 -0.373 -15.124 1.00 0.00 C ATOM 563 O ASN A 50 -0.951 -0.418 -16.353 1.00 0.00 O ATOM 564 CB ASN A 50 0.154 1.844 -15.125 1.00 0.00 C ATOM 565 CG ASN A 50 0.734 2.982 -14.282 1.00 0.00 C ATOM 566 OD1 ASN A 50 0.023 3.915 -13.904 1.00 0.00 O ATOM 567 ND2 ASN A 50 2.023 2.907 -13.970 1.00 0.00 N ATOM 0 H ASN A 50 1.598 0.060 -13.990 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.118 1.099 -13.565 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.926 1.464 -15.794 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.648 2.234 -15.752 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.453 3.636 -13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.583 2.121 -14.300 1.00 0.00 H new ATOM 574 N GLY A 51 -1.856 -1.256 -14.449 1.00 0.00 N ATOM 575 CA GLY A 51 -2.588 -2.329 -15.110 1.00 0.00 C ATOM 576 C GLY A 51 -2.759 -3.539 -14.207 1.00 0.00 C ATOM 577 O GLY A 51 -3.708 -4.312 -14.365 1.00 0.00 O ATOM 0 H GLY A 51 -1.965 -1.242 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.568 -1.964 -15.417 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.059 -2.624 -16.016 1.00 0.00 H new ATOM 581 N ILE A 52 -1.813 -3.723 -13.263 1.00 0.00 N ATOM 582 CA ILE A 52 -1.843 -4.845 -12.303 1.00 0.00 C ATOM 583 C ILE A 52 -2.319 -4.295 -10.932 1.00 0.00 C ATOM 584 O ILE A 52 -1.656 -3.404 -10.378 1.00 0.00 O ATOM 585 CB ILE A 52 -0.429 -5.536 -12.152 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.336 -5.627 -13.522 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.555 -6.941 -11.517 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.322 -6.489 -14.595 1.00 0.00 C ATOM 0 H ILE A 52 -1.012 -3.102 -13.145 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.528 -5.608 -12.674 1.00 0.00 H new ATOM 0 HB ILE A 52 0.157 -4.903 -11.486 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.456 -4.618 -13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.336 -6.017 -13.333 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.434 -7.390 -11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.006 -6.854 -10.528 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.183 -7.570 -12.148 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.291 -6.480 -15.496 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.417 -7.512 -14.232 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.311 -6.092 -14.825 1.00 0.00 H new ATOM 600 N PRO A 53 -3.476 -4.785 -10.378 1.00 0.00 N ATOM 601 CA PRO A 53 -4.061 -4.223 -9.137 1.00 0.00 C ATOM 602 C PRO A 53 -3.197 -4.299 -7.822 1.00 0.00 C ATOM 603 O PRO A 53 -3.328 -3.385 -6.993 1.00 0.00 O ATOM 604 CB PRO A 53 -5.429 -4.948 -8.994 1.00 0.00 C ATOM 605 CG PRO A 53 -5.324 -6.181 -9.845 1.00 0.00 C ATOM 606 CD PRO A 53 -4.339 -5.859 -10.952 1.00 0.00 C ATOM 0 HA PRO A 53 -4.138 -3.141 -9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.629 -5.206 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.247 -4.310 -9.328 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.980 -7.031 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.296 -6.451 -10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.752 -6.735 -11.229 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.850 -5.519 -11.853 1.00 0.00 H new ATOM 614 N PRO A 54 -2.342 -5.354 -7.547 1.00 0.00 N ATOM 615 CA PRO A 54 -1.407 -5.297 -6.407 1.00 0.00 C ATOM 616 C PRO A 54 -0.250 -4.288 -6.642 1.00 0.00 C ATOM 617 O PRO A 54 0.576 -4.458 -7.543 1.00 0.00 O ATOM 618 CB PRO A 54 -0.904 -6.754 -6.277 1.00 0.00 C ATOM 619 CG PRO A 54 -1.031 -7.322 -7.650 1.00 0.00 C ATOM 620 CD PRO A 54 -2.266 -6.678 -8.223 1.00 0.00 C ATOM 0 HA PRO A 54 -1.881 -4.937 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.128 -6.787 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.501 -7.316 -5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.152 -7.097 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.128 -8.407 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.191 -6.568 -9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.155 -7.277 -8.024 1.00 0.00 H new ATOM 628 N VAL A 55 -0.271 -3.189 -5.874 1.00 0.00 N ATOM 629 CA VAL A 55 0.860 -2.253 -5.732 1.00 0.00 C ATOM 630 C VAL A 55 1.741 -2.680 -4.537 1.00 0.00 C ATOM 631 O VAL A 55 1.233 -3.070 -3.481 1.00 0.00 O ATOM 632 CB VAL A 55 0.366 -0.763 -5.557 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.699 -0.630 -4.437 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.553 0.195 -5.301 1.00 0.00 C ATOM 0 H VAL A 55 -1.086 -2.919 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 55 1.451 -2.291 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.109 -0.475 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.010 0.411 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.563 -1.248 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.274 -0.960 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.181 1.213 -5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.075 -0.107 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.242 0.155 -6.145 1.00 0.00 H new ATOM 644 N GLN A 56 3.071 -2.628 -4.732 1.00 0.00 N ATOM 645 CA GLN A 56 4.046 -3.037 -3.711 1.00 0.00 C ATOM 646 C GLN A 56 4.422 -1.822 -2.824 1.00 0.00 C ATOM 647 O GLN A 56 4.821 -0.762 -3.326 1.00 0.00 O ATOM 648 CB GLN A 56 5.313 -3.663 -4.364 1.00 0.00 C ATOM 649 CG GLN A 56 5.132 -5.004 -5.110 1.00 0.00 C ATOM 650 CD GLN A 56 4.270 -4.915 -6.374 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.765 -4.633 -7.463 1.00 0.00 O ATOM 652 NE2 GLN A 56 2.973 -5.149 -6.238 1.00 0.00 N ATOM 0 H GLN A 56 3.497 -2.302 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 56 3.590 -3.802 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.724 -2.938 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.059 -3.809 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.115 -5.390 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.683 -5.727 -4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.590 -5.381 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.358 -5.097 -7.050 1.00 0.00 H new ATOM 661 N VAL A 57 4.284 -2.009 -1.503 1.00 0.00 N ATOM 662 CA VAL A 57 4.541 -0.978 -0.468 1.00 0.00 C ATOM 663 C VAL A 57 5.338 -1.612 0.670 1.00 0.00 C ATOM 664 O VAL A 57 5.039 -2.733 1.076 1.00 0.00 O ATOM 665 CB VAL A 57 3.192 -0.364 0.114 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.844 0.981 -0.538 1.00 0.00 C ATOM 667 CG2 VAL A 57 2.020 -1.354 -0.038 1.00 0.00 C ATOM 0 H VAL A 57 3.984 -2.900 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 57 5.100 -0.165 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 57 3.359 -0.183 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.917 1.363 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.649 1.693 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.719 0.843 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.112 -0.908 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.872 -1.583 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.247 -2.272 0.504 1.00 0.00 H new ATOM 677 N PHE A 58 6.353 -0.887 1.170 1.00 0.00 N ATOM 678 CA PHE A 58 7.227 -1.371 2.251 1.00 0.00 C ATOM 679 C PHE A 58 6.523 -1.147 3.592 1.00 0.00 C ATOM 680 O PHE A 58 6.382 -0.008 4.037 1.00 0.00 O ATOM 681 CB PHE A 58 8.593 -0.630 2.210 1.00 0.00 C ATOM 682 CG PHE A 58 9.641 -1.146 3.197 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.508 -2.178 2.841 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.766 -0.593 4.476 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.457 -2.641 3.726 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.715 -1.060 5.361 1.00 0.00 C ATOM 687 CZ PHE A 58 11.562 -2.083 4.986 1.00 0.00 C ATOM 0 H PHE A 58 6.590 0.048 0.837 1.00 0.00 H new ATOM 0 HA PHE A 58 7.423 -2.436 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.999 -0.704 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.421 0.428 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.435 -2.620 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.110 0.211 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.120 -3.442 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.795 -0.626 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.307 -2.448 5.677 1.00 0.00 H new ATOM 697 N TRP A 59 6.077 -2.247 4.206 1.00 0.00 N ATOM 698 CA TRP A 59 5.388 -2.238 5.501 1.00 0.00 C ATOM 699 C TRP A 59 6.396 -2.448 6.633 1.00 0.00 C ATOM 700 O TRP A 59 7.172 -3.409 6.600 1.00 0.00 O ATOM 701 CB TRP A 59 4.317 -3.353 5.536 1.00 0.00 C ATOM 702 CG TRP A 59 3.282 -3.227 4.447 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.248 -3.895 3.254 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.142 -2.367 4.460 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.148 -3.508 2.535 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.457 -2.558 3.256 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.643 -1.451 5.381 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.289 -1.862 2.950 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.490 -0.761 5.079 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.179 -0.968 3.870 1.00 0.00 C ATOM 0 H TRP A 59 6.186 -3.182 3.813 1.00 0.00 H new ATOM 0 HA TRP A 59 4.901 -1.272 5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.809 -4.322 5.448 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.818 -3.336 6.505 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.979 -4.620 2.927 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.884 -3.864 1.617 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.152 -1.284 6.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.229 -2.024 2.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.096 -0.048 5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.081 -0.412 3.660 1.00 0.00 H new ATOM 721 N GLN A 60 6.365 -1.550 7.631 1.00 0.00 N ATOM 722 CA GLN A 60 7.166 -1.686 8.866 1.00 0.00 C ATOM 723 C GLN A 60 6.676 -2.885 9.712 1.00 0.00 C ATOM 724 O GLN A 60 7.434 -3.427 10.525 1.00 0.00 O ATOM 725 CB GLN A 60 7.089 -0.383 9.704 1.00 0.00 C ATOM 726 CG GLN A 60 5.661 0.019 10.125 1.00 0.00 C ATOM 727 CD GLN A 60 5.612 1.157 11.138 1.00 0.00 C ATOM 728 OE1 GLN A 60 5.526 2.330 10.779 1.00 0.00 O ATOM 729 NE2 GLN A 60 5.693 0.812 12.412 1.00 0.00 N ATOM 0 H GLN A 60 5.787 -0.710 7.608 1.00 0.00 H new ATOM 0 HA GLN A 60 8.202 -1.865 8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.698 -0.505 10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.528 0.432 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.100 0.312 9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.159 -0.852 10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.763 -0.172 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.685 1.530 13.136 1.00 0.00 H new ATOM 738 N SER A 61 5.396 -3.266 9.497 1.00 0.00 N ATOM 739 CA SER A 61 4.720 -4.366 10.204 1.00 0.00 C ATOM 740 C SER A 61 5.428 -5.716 9.971 1.00 0.00 C ATOM 741 O SER A 61 5.655 -6.486 10.910 1.00 0.00 O ATOM 742 CB SER A 61 3.256 -4.445 9.720 1.00 0.00 C ATOM 743 OG SER A 61 2.517 -5.426 10.426 1.00 0.00 O ATOM 0 H SER A 61 4.797 -2.805 8.813 1.00 0.00 H new ATOM 0 HA SER A 61 4.754 -4.163 11.274 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.780 -3.473 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.238 -4.674 8.655 1.00 0.00 H new ATOM 0 HG SER A 61 1.989 -4.994 11.130 1.00 0.00 H new ATOM 749 N THR A 62 5.783 -5.973 8.703 1.00 0.00 N ATOM 750 CA THR A 62 6.460 -7.208 8.272 1.00 0.00 C ATOM 751 C THR A 62 7.941 -6.926 7.911 1.00 0.00 C ATOM 752 O THR A 62 8.718 -7.857 7.640 1.00 0.00 O ATOM 753 CB THR A 62 5.693 -7.845 7.063 1.00 0.00 C ATOM 754 OG1 THR A 62 6.341 -9.046 6.630 1.00 0.00 O ATOM 755 CG2 THR A 62 5.545 -6.864 5.882 1.00 0.00 C ATOM 0 H THR A 62 5.606 -5.322 7.938 1.00 0.00 H new ATOM 0 HA THR A 62 6.453 -7.920 9.097 1.00 0.00 H new ATOM 0 HB THR A 62 4.690 -8.086 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.038 -9.274 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.007 -7.352 5.069 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.991 -5.984 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.533 -6.562 5.534 1.00 0.00 H new ATOM 763 N GLY A 63 8.318 -5.629 7.916 1.00 0.00 N ATOM 764 CA GLY A 63 9.694 -5.199 7.630 1.00 0.00 C ATOM 765 C GLY A 63 10.091 -5.333 6.160 1.00 0.00 C ATOM 766 O GLY A 63 11.280 -5.249 5.833 1.00 0.00 O ATOM 0 H GLY A 63 7.679 -4.860 8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.810 -4.159 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.382 -5.787 8.237 1.00 0.00 H new ATOM 770 N ARG A 64 9.100 -5.542 5.267 1.00 0.00 N ATOM 771 CA ARG A 64 9.348 -5.784 3.832 1.00 0.00 C ATOM 772 C ARG A 64 8.170 -5.299 2.981 1.00 0.00 C ATOM 773 O ARG A 64 7.119 -4.906 3.504 1.00 0.00 O ATOM 774 CB ARG A 64 9.636 -7.297 3.614 1.00 0.00 C ATOM 775 CG ARG A 64 8.463 -8.241 3.998 1.00 0.00 C ATOM 776 CD ARG A 64 8.941 -9.640 4.401 1.00 0.00 C ATOM 777 NE ARG A 64 7.835 -10.597 4.619 1.00 0.00 N ATOM 778 CZ ARG A 64 7.866 -11.626 5.482 1.00 0.00 C ATOM 779 NH1 ARG A 64 8.929 -11.844 6.253 1.00 0.00 N ATOM 780 NH2 ARG A 64 6.822 -12.422 5.585 1.00 0.00 N ATOM 0 H ARG A 64 8.112 -5.548 5.520 1.00 0.00 H new ATOM 0 HA ARG A 64 10.220 -5.213 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.886 -7.458 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.514 -7.574 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.902 -7.801 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.777 -8.324 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.600 -10.028 3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.532 -9.565 5.314 1.00 0.00 H new ATOM 0 HE ARG A 64 6.984 -10.466 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.737 -11.225 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.935 -12.630 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.995 -12.256 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.840 -13.205 6.239 1.00 0.00 H new ATOM 794 N THR A 65 8.366 -5.365 1.662 1.00 0.00 N ATOM 795 CA THR A 65 7.419 -4.877 0.664 1.00 0.00 C ATOM 796 C THR A 65 6.390 -5.983 0.361 1.00 0.00 C ATOM 797 O THR A 65 6.777 -7.152 0.233 1.00 0.00 O ATOM 798 CB THR A 65 8.210 -4.475 -0.645 1.00 0.00 C ATOM 799 OG1 THR A 65 9.533 -4.022 -0.293 1.00 0.00 O ATOM 800 CG2 THR A 65 7.527 -3.357 -1.418 1.00 0.00 C ATOM 0 H THR A 65 9.208 -5.769 1.252 1.00 0.00 H new ATOM 0 HA THR A 65 6.890 -4.000 1.038 1.00 0.00 H new ATOM 0 HB THR A 65 8.245 -5.364 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.021 -3.775 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.111 -3.120 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.528 -3.677 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.451 -2.472 -0.787 1.00 0.00 H new ATOM 808 N TYR A 66 5.090 -5.633 0.272 1.00 0.00 N ATOM 809 CA TYR A 66 4.031 -6.620 -0.035 1.00 0.00 C ATOM 810 C TYR A 66 3.015 -6.046 -1.037 1.00 0.00 C ATOM 811 O TYR A 66 2.850 -4.827 -1.168 1.00 0.00 O ATOM 812 CB TYR A 66 3.309 -7.103 1.267 1.00 0.00 C ATOM 813 CG TYR A 66 2.558 -8.441 1.095 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.266 -9.639 1.061 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.167 -8.512 0.935 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.635 -10.846 0.863 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.531 -9.723 0.747 1.00 0.00 C ATOM 818 CZ TYR A 66 1.274 -10.885 0.705 1.00 0.00 C ATOM 819 OH TYR A 66 0.657 -12.092 0.483 1.00 0.00 O ATOM 0 H TYR A 66 4.749 -4.681 0.407 1.00 0.00 H new ATOM 0 HA TYR A 66 4.511 -7.485 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.046 -7.209 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.602 -6.337 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.338 -9.621 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.583 -7.604 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.210 -11.759 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.542 -9.761 0.633 1.00 0.00 H new ATOM 0 HH TYR A 66 1.169 -12.806 0.918 1.00 0.00 H new ATOM 829 N TRP A 67 2.336 -6.979 -1.714 1.00 0.00 N ATOM 830 CA TRP A 67 1.358 -6.727 -2.771 1.00 0.00 C ATOM 831 C TRP A 67 -0.022 -6.430 -2.155 1.00 0.00 C ATOM 832 O TRP A 67 -0.653 -7.336 -1.597 1.00 0.00 O ATOM 833 CB TRP A 67 1.278 -7.990 -3.678 1.00 0.00 C ATOM 834 CG TRP A 67 2.594 -8.427 -4.284 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.064 -8.125 -5.523 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.586 -9.276 -3.683 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.294 -8.689 -5.713 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.633 -9.407 -4.605 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.696 -9.918 -2.449 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.771 -10.161 -4.339 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.820 -10.672 -2.186 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.849 -10.784 -3.123 1.00 0.00 C ATOM 0 H TRP A 67 2.461 -7.974 -1.529 1.00 0.00 H new ATOM 0 HA TRP A 67 1.662 -5.863 -3.362 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.874 -8.815 -3.091 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.571 -7.796 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.540 -7.525 -6.253 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.867 -8.589 -6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.913 -9.826 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.565 -10.252 -5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.906 -11.185 -1.239 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.722 -11.373 -2.884 1.00 0.00 H new ATOM 853 N VAL A 68 -0.479 -5.164 -2.226 1.00 0.00 N ATOM 854 CA VAL A 68 -1.810 -4.760 -1.710 1.00 0.00 C ATOM 855 C VAL A 68 -2.647 -4.092 -2.813 1.00 0.00 C ATOM 856 O VAL A 68 -2.106 -3.570 -3.784 1.00 0.00 O ATOM 857 CB VAL A 68 -1.718 -3.816 -0.448 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.826 -4.442 0.655 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.252 -2.394 -0.827 1.00 0.00 C ATOM 0 H VAL A 68 0.054 -4.398 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.305 -5.676 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.723 -3.717 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.781 -3.770 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.248 -5.398 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.179 -4.599 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.202 -1.776 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.266 -2.445 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.959 -1.955 -1.531 1.00 0.00 H new ATOM 869 N HIS A 69 -3.973 -4.104 -2.631 1.00 0.00 N ATOM 870 CA HIS A 69 -4.938 -3.600 -3.627 1.00 0.00 C ATOM 871 C HIS A 69 -5.172 -2.089 -3.435 1.00 0.00 C ATOM 872 O HIS A 69 -5.135 -1.608 -2.307 1.00 0.00 O ATOM 873 CB HIS A 69 -6.267 -4.385 -3.481 1.00 0.00 C ATOM 874 CG HIS A 69 -7.282 -4.131 -4.562 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.615 -3.911 -4.309 1.00 0.00 N ATOM 876 CD2 HIS A 69 -7.153 -4.113 -5.910 1.00 0.00 C ATOM 877 CE1 HIS A 69 -9.259 -3.761 -5.447 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.397 -3.882 -6.433 1.00 0.00 N ATOM 0 H HIS A 69 -4.413 -4.465 -1.785 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.539 -3.749 -4.630 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.041 -5.451 -3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.714 -4.135 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.239 -4.254 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.317 -3.571 -5.553 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.619 -3.815 -7.426 1.00 0.00 H new ATOM 887 N TRP A 70 -5.459 -1.372 -4.542 1.00 0.00 N ATOM 888 CA TRP A 70 -5.642 0.104 -4.544 1.00 0.00 C ATOM 889 C TRP A 70 -6.829 0.539 -3.659 1.00 0.00 C ATOM 890 O TRP A 70 -6.727 1.506 -2.906 1.00 0.00 O ATOM 891 CB TRP A 70 -5.881 0.619 -5.979 1.00 0.00 C ATOM 892 CG TRP A 70 -4.816 0.260 -6.978 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.816 -0.788 -7.858 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.605 0.977 -7.206 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.669 -0.766 -8.610 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.908 0.305 -8.226 1.00 0.00 C ATOM 897 CE3 TRP A 70 -3.041 2.121 -6.638 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.675 0.745 -8.693 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.824 2.554 -7.104 1.00 0.00 C ATOM 900 CH2 TRP A 70 -1.150 1.869 -8.118 1.00 0.00 C ATOM 0 H TRP A 70 -5.571 -1.796 -5.463 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.727 0.535 -4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.835 0.228 -6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.974 1.705 -5.947 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.602 -1.523 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.423 -1.438 -9.337 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.551 2.654 -5.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -1.152 0.220 -9.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.379 3.441 -6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.192 2.236 -8.456 1.00 0.00 H new ATOM 911 N HIS A 71 -7.962 -0.186 -3.764 1.00 0.00 N ATOM 912 CA HIS A 71 -9.204 0.158 -3.030 1.00 0.00 C ATOM 913 C HIS A 71 -9.078 -0.169 -1.521 1.00 0.00 C ATOM 914 O HIS A 71 -9.917 0.243 -0.720 1.00 0.00 O ATOM 915 CB HIS A 71 -10.418 -0.564 -3.675 1.00 0.00 C ATOM 916 CG HIS A 71 -11.763 0.058 -3.370 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.715 -0.529 -2.570 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.314 1.220 -3.802 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.785 0.240 -2.522 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.569 1.308 -3.260 1.00 0.00 N ATOM 0 H HIS A 71 -8.045 -1.016 -4.351 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.366 1.233 -3.106 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.279 -0.583 -4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.428 -1.600 -3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.848 1.944 -4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.688 0.029 -1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.227 2.074 -3.404 1.00 0.00 H new ATOM 929 N MET A 72 -8.014 -0.914 -1.147 1.00 0.00 N ATOM 930 CA MET A 72 -7.656 -1.201 0.262 1.00 0.00 C ATOM 931 C MET A 72 -6.308 -0.541 0.626 1.00 0.00 C ATOM 932 O MET A 72 -5.775 -0.752 1.722 1.00 0.00 O ATOM 933 CB MET A 72 -7.631 -2.734 0.504 1.00 0.00 C ATOM 934 CG MET A 72 -9.004 -3.400 0.325 1.00 0.00 C ATOM 935 SD MET A 72 -9.016 -5.172 0.687 1.00 0.00 S ATOM 936 CE MET A 72 -7.854 -5.812 -0.513 1.00 0.00 C ATOM 0 H MET A 72 -7.374 -1.337 -1.819 1.00 0.00 H new ATOM 0 HA MET A 72 -8.414 -0.772 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.920 -3.192 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.269 -2.930 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.725 -2.902 0.974 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.339 -3.247 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.729 -6.884 -0.363 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.232 -5.628 -1.519 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.892 -5.314 -0.390 1.00 0.00 H new ATOM 946 N LEU A 73 -5.776 0.263 -0.313 1.00 0.00 N ATOM 947 CA LEU A 73 -4.620 1.136 -0.083 1.00 0.00 C ATOM 948 C LEU A 73 -5.164 2.498 0.354 1.00 0.00 C ATOM 949 O LEU A 73 -5.917 3.134 -0.389 1.00 0.00 O ATOM 950 CB LEU A 73 -3.782 1.283 -1.389 1.00 0.00 C ATOM 951 CG LEU A 73 -2.485 2.152 -1.295 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.394 1.442 -0.468 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.969 2.544 -2.699 1.00 0.00 C ATOM 0 H LEU A 73 -6.144 0.322 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.966 0.716 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.500 0.286 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.424 1.711 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.741 3.074 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.505 2.072 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.763 1.260 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.141 0.492 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.067 3.147 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.742 1.642 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.734 3.119 -3.221 1.00 0.00 H new ATOM 965 N GLU A 74 -4.794 2.924 1.557 1.00 0.00 N ATOM 966 CA GLU A 74 -5.200 4.217 2.120 1.00 0.00 C ATOM 967 C GLU A 74 -3.937 5.011 2.435 1.00 0.00 C ATOM 968 O GLU A 74 -3.045 4.490 3.068 1.00 0.00 O ATOM 969 CB GLU A 74 -6.061 3.991 3.395 1.00 0.00 C ATOM 970 CG GLU A 74 -6.485 5.280 4.114 1.00 0.00 C ATOM 971 CD GLU A 74 -7.432 5.036 5.303 1.00 0.00 C ATOM 972 OE1 GLU A 74 -7.002 4.439 6.314 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.614 5.442 5.233 1.00 0.00 O ATOM 0 H GLU A 74 -4.197 2.379 2.179 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.809 4.776 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.956 3.433 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.499 3.369 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.594 5.798 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.975 5.941 3.399 1.00 0.00 H new ATOM 980 N ILE A 75 -3.834 6.254 1.959 1.00 0.00 N ATOM 981 CA ILE A 75 -2.614 7.065 2.157 1.00 0.00 C ATOM 982 C ILE A 75 -2.869 8.241 3.118 1.00 0.00 C ATOM 983 O ILE A 75 -3.680 9.131 2.845 1.00 0.00 O ATOM 984 CB ILE A 75 -2.028 7.540 0.770 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.117 8.251 -0.102 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.400 6.334 0.020 1.00 0.00 C ATOM 987 CD1 ILE A 75 -2.641 8.703 -1.471 1.00 0.00 C ATOM 0 H ILE A 75 -4.572 6.725 1.436 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.859 6.437 2.630 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.247 8.276 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.959 7.571 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.489 9.119 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.998 6.669 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.597 5.909 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.164 5.576 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.463 9.184 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.820 9.411 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.298 7.839 -2.040 1.00 0.00 H new ATOM 999 N LEU A 76 -2.191 8.199 4.285 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.136 9.317 5.241 1.00 0.00 C ATOM 1001 C LEU A 76 -0.736 9.938 5.159 1.00 0.00 C ATOM 1002 O LEU A 76 0.157 9.623 5.954 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.496 8.887 6.707 1.00 0.00 C ATOM 1004 CG LEU A 76 -4.013 8.641 7.027 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -4.882 9.851 6.633 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.537 7.342 6.391 1.00 0.00 C ATOM 0 H LEU A 76 -1.664 7.380 4.589 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.893 10.053 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.949 7.972 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.127 9.656 7.386 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.090 8.520 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.925 9.642 6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.553 10.731 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.783 10.037 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.591 7.214 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.424 7.396 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.969 6.494 6.774 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.555 10.784 4.137 1.00 0.00 N ATOM 1019 CA GLY A 77 0.711 11.453 3.858 1.00 0.00 C ATOM 1020 C GLY A 77 0.484 12.909 3.500 1.00 0.00 C ATOM 1021 O GLY A 77 0.719 13.790 4.338 1.00 0.00 O ATOM 0 H GLY A 77 -1.295 11.022 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.363 11.386 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.221 10.948 3.038 1.00 0.00 H new TER 1025 GLY A 77