USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.553 USER MOD Single : A 21 SER OG : rot 140:sc= -0.678! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 32 THR OG1 : rot 96:sc= 0.0854 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -41:sc= 0.871 USER MOD Single : A 50 MET CE :methyl -115:sc= -0.87 (180deg=-3.8!) USER MOD Single : A 51 HIS : no HE2:sc= -5.52! K(o=-5.5!,f=-4.1) USER MOD Single : A 52 ASN : amide:sc= -1.04 K(o=-1,f=-0.36) USER MOD Single : A 57 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.292 X(o=0.29,f=-0.044) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 1.825 0.549 -3.672 1.00 0.00 N ATOM 19 CA GLU A 2 0.976 0.580 -4.857 1.00 0.00 C ATOM 20 C GLU A 2 1.384 -0.508 -5.847 1.00 0.00 C ATOM 21 O GLU A 2 2.427 -1.146 -5.691 1.00 0.00 O ATOM 22 CB GLU A 2 1.052 1.952 -5.531 1.00 0.00 C ATOM 23 CG GLU A 2 0.982 3.114 -4.554 1.00 0.00 C ATOM 24 CD GLU A 2 -0.357 3.201 -3.847 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.356 2.702 -4.405 1.00 0.00 O ATOM 26 OE2 GLU A 2 -0.405 3.768 -2.735 1.00 0.00 O ATOM 0 HA GLU A 2 -0.051 0.395 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.982 2.019 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.236 2.041 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.774 3.009 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.168 4.045 -5.089 1.00 0.00 H new ATOM 33 N LEU A 3 0.556 -0.715 -6.864 1.00 0.00 N ATOM 34 CA LEU A 3 0.829 -1.726 -7.880 1.00 0.00 C ATOM 35 C LEU A 3 1.201 -1.076 -9.209 1.00 0.00 C ATOM 36 O LEU A 3 0.338 -0.572 -9.928 1.00 0.00 O ATOM 37 CB LEU A 3 -0.389 -2.632 -8.066 1.00 0.00 C ATOM 38 CG LEU A 3 -0.462 -3.854 -7.148 1.00 0.00 C ATOM 39 CD1 LEU A 3 -1.821 -4.527 -7.264 1.00 0.00 C ATOM 40 CD2 LEU A 3 0.652 -4.836 -7.479 1.00 0.00 C ATOM 0 H LEU A 3 -0.310 -0.196 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 3 1.673 -2.327 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.288 -2.034 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.406 -2.977 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.331 -3.521 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.855 -5.394 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.602 -3.822 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.982 -4.848 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.585 -5.699 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.552 -5.164 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.618 -4.349 -7.344 1.00 0.00 H new ATOM 52 N ALA A 4 2.490 -1.093 -9.530 1.00 0.00 N ATOM 53 CA ALA A 4 2.976 -0.509 -10.774 1.00 0.00 C ATOM 54 C ALA A 4 3.434 -1.591 -11.746 1.00 0.00 C ATOM 55 O ALA A 4 4.263 -2.435 -11.405 1.00 0.00 O ATOM 56 CB ALA A 4 4.110 0.465 -10.493 1.00 0.00 C ATOM 0 H ALA A 4 3.217 -1.505 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 4 2.152 0.034 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.463 0.893 -11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.752 1.263 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.929 -0.062 -10.004 1.00 0.00 H new ATOM 62 N VAL A 5 2.889 -1.561 -12.958 1.00 0.00 N ATOM 63 CA VAL A 5 3.242 -2.539 -13.980 1.00 0.00 C ATOM 64 C VAL A 5 3.565 -1.858 -15.305 1.00 0.00 C ATOM 65 O VAL A 5 3.038 -0.787 -15.608 1.00 0.00 O ATOM 66 CB VAL A 5 2.106 -3.555 -14.201 1.00 0.00 C ATOM 67 CG1 VAL A 5 2.652 -4.849 -14.785 1.00 0.00 C ATOM 68 CG2 VAL A 5 1.367 -3.819 -12.898 1.00 0.00 C ATOM 0 H VAL A 5 2.201 -0.870 -13.256 1.00 0.00 H new ATOM 0 HA VAL A 5 4.126 -3.066 -13.621 1.00 0.00 H new ATOM 0 HB VAL A 5 1.399 -3.133 -14.915 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.834 -5.554 -14.934 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.132 -4.642 -15.742 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.381 -5.279 -14.098 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.568 -4.539 -13.073 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.062 -4.220 -12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.941 -2.887 -12.526 1.00 0.00 H new ATOM 78 N ILE A 6 4.434 -2.485 -16.090 1.00 0.00 N ATOM 79 CA ILE A 6 4.826 -1.940 -17.384 1.00 0.00 C ATOM 80 C ILE A 6 4.750 -3.004 -18.474 1.00 0.00 C ATOM 81 O ILE A 6 5.655 -3.824 -18.620 1.00 0.00 O ATOM 82 CB ILE A 6 6.253 -1.364 -17.343 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.289 -0.092 -16.494 1.00 0.00 C ATOM 84 CG2 ILE A 6 6.751 -1.080 -18.752 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.659 0.223 -15.933 1.00 0.00 C ATOM 0 H ILE A 6 4.880 -3.371 -15.853 1.00 0.00 H new ATOM 0 HA ILE A 6 4.126 -1.137 -17.614 1.00 0.00 H new ATOM 0 HB ILE A 6 6.913 -2.102 -16.887 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.951 0.749 -17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.583 -0.195 -15.670 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.761 -0.673 -18.706 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.758 -2.005 -19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.091 -0.358 -19.233 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.609 1.138 -15.342 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.991 -0.600 -15.300 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.365 0.359 -16.752 1.00 0.00 H new ATOM 97 N GLY A 7 3.663 -2.982 -19.240 1.00 0.00 N ATOM 98 CA GLY A 7 3.490 -3.948 -20.309 1.00 0.00 C ATOM 99 C GLY A 7 2.851 -3.340 -21.542 1.00 0.00 C ATOM 100 O GLY A 7 3.353 -2.360 -22.092 1.00 0.00 O ATOM 0 H GLY A 7 2.900 -2.313 -19.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.460 -4.368 -20.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.873 -4.773 -19.953 1.00 0.00 H new ATOM 104 N LYS A 8 1.740 -3.923 -21.979 1.00 0.00 N ATOM 105 CA LYS A 8 1.030 -3.434 -23.155 1.00 0.00 C ATOM 106 C LYS A 8 -0.260 -2.725 -22.755 1.00 0.00 C ATOM 107 O LYS A 8 -0.614 -2.676 -21.577 1.00 0.00 O ATOM 108 CB LYS A 8 0.715 -4.592 -24.104 1.00 0.00 C ATOM 109 CG LYS A 8 0.060 -5.779 -23.419 1.00 0.00 C ATOM 110 CD LYS A 8 -0.165 -6.928 -24.388 1.00 0.00 C ATOM 111 CE LYS A 8 0.810 -8.068 -24.137 1.00 0.00 C ATOM 112 NZ LYS A 8 2.095 -7.869 -24.863 1.00 0.00 N ATOM 0 H LYS A 8 1.311 -4.736 -21.536 1.00 0.00 H new ATOM 0 HA LYS A 8 1.674 -2.718 -23.666 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.058 -4.233 -24.897 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.638 -4.922 -24.580 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.687 -6.116 -22.594 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.894 -5.472 -22.990 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.187 -7.294 -24.289 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.052 -6.570 -25.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.006 -8.150 -23.068 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.357 -9.009 -24.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.732 -8.667 -24.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.912 -7.817 -25.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.540 -6.984 -24.545 1.00 0.00 H new ATOM 126 N SER A 9 -0.959 -2.177 -23.744 1.00 0.00 N ATOM 127 CA SER A 9 -2.209 -1.468 -23.495 1.00 0.00 C ATOM 128 C SER A 9 -3.351 -2.450 -23.250 1.00 0.00 C ATOM 129 O SER A 9 -4.065 -2.350 -22.253 1.00 0.00 O ATOM 130 CB SER A 9 -2.548 -0.558 -24.678 1.00 0.00 C ATOM 131 OG SER A 9 -3.553 0.379 -24.329 1.00 0.00 O ATOM 0 H SER A 9 -0.681 -2.210 -24.725 1.00 0.00 H new ATOM 0 HA SER A 9 -2.080 -0.857 -22.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.652 -0.030 -25.003 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.886 -1.162 -25.520 1.00 0.00 H new ATOM 0 HG SER A 9 -3.750 0.950 -25.101 1.00 0.00 H new ATOM 137 N GLU A 10 -3.515 -3.398 -24.167 1.00 0.00 N ATOM 138 CA GLU A 10 -4.570 -4.397 -24.051 1.00 0.00 C ATOM 139 C GLU A 10 -4.547 -5.055 -22.674 1.00 0.00 C ATOM 140 O GLU A 10 -5.572 -5.531 -22.184 1.00 0.00 O ATOM 141 CB GLU A 10 -4.417 -5.462 -25.140 1.00 0.00 C ATOM 142 CG GLU A 10 -4.478 -4.902 -26.551 1.00 0.00 C ATOM 143 CD GLU A 10 -5.032 -5.899 -27.550 1.00 0.00 C ATOM 144 OE1 GLU A 10 -4.247 -6.719 -28.070 1.00 0.00 O ATOM 145 OE2 GLU A 10 -6.253 -5.859 -27.812 1.00 0.00 O ATOM 0 H GLU A 10 -2.931 -3.495 -24.998 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.528 -3.893 -24.178 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.466 -5.976 -25.003 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.203 -6.208 -25.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.098 -4.006 -26.556 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.478 -4.599 -26.862 1.00 0.00 H new ATOM 152 N PHE A 11 -3.371 -5.079 -22.056 1.00 0.00 N ATOM 153 CA PHE A 11 -3.213 -5.680 -20.737 1.00 0.00 C ATOM 154 C PHE A 11 -3.852 -4.806 -19.661 1.00 0.00 C ATOM 155 O PHE A 11 -4.448 -5.310 -18.709 1.00 0.00 O ATOM 156 CB PHE A 11 -1.731 -5.892 -20.424 1.00 0.00 C ATOM 157 CG PHE A 11 -1.267 -7.303 -20.646 1.00 0.00 C ATOM 158 CD1 PHE A 11 -1.657 -8.004 -21.775 1.00 0.00 C ATOM 159 CD2 PHE A 11 -0.440 -7.928 -19.726 1.00 0.00 C ATOM 160 CE1 PHE A 11 -1.232 -9.303 -21.984 1.00 0.00 C ATOM 161 CE2 PHE A 11 -0.011 -9.226 -19.929 1.00 0.00 C ATOM 162 CZ PHE A 11 -0.409 -9.915 -21.059 1.00 0.00 C ATOM 0 H PHE A 11 -2.513 -4.689 -22.447 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.718 -6.646 -20.743 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.137 -5.221 -21.045 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.544 -5.616 -19.386 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.301 -7.530 -22.501 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.127 -7.395 -18.840 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.543 -9.838 -22.869 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.635 -9.701 -19.205 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.077 -10.930 -21.218 1.00 0.00 H new ATOM 172 N VAL A 12 -3.723 -3.493 -19.820 1.00 0.00 N ATOM 173 CA VAL A 12 -4.287 -2.547 -18.864 1.00 0.00 C ATOM 174 C VAL A 12 -5.809 -2.529 -18.943 1.00 0.00 C ATOM 175 O VAL A 12 -6.491 -2.254 -17.954 1.00 0.00 O ATOM 176 CB VAL A 12 -3.754 -1.122 -19.103 1.00 0.00 C ATOM 177 CG1 VAL A 12 -2.331 -1.167 -19.639 1.00 0.00 C ATOM 178 CG2 VAL A 12 -4.668 -0.364 -20.054 1.00 0.00 C ATOM 0 H VAL A 12 -3.233 -3.060 -20.602 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.981 -2.879 -17.872 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.741 -0.593 -18.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.971 -0.151 -19.802 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.686 -1.669 -18.918 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.315 -1.713 -20.582 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.276 0.641 -20.212 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.716 -0.889 -21.008 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.668 -0.300 -19.624 1.00 0.00 H new ATOM 188 N THR A 13 -6.339 -2.823 -20.126 1.00 0.00 N ATOM 189 CA THR A 13 -7.781 -2.839 -20.336 1.00 0.00 C ATOM 190 C THR A 13 -8.489 -3.606 -19.224 1.00 0.00 C ATOM 191 O THR A 13 -9.579 -3.230 -18.794 1.00 0.00 O ATOM 192 CB THR A 13 -8.145 -3.472 -21.692 1.00 0.00 C ATOM 193 OG1 THR A 13 -7.111 -3.209 -22.648 1.00 0.00 O ATOM 194 CG2 THR A 13 -9.468 -2.925 -22.206 1.00 0.00 C ATOM 0 H THR A 13 -5.790 -3.054 -20.954 1.00 0.00 H new ATOM 0 HA THR A 13 -8.113 -1.801 -20.328 1.00 0.00 H new ATOM 0 HB THR A 13 -8.245 -4.548 -21.551 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.500 -3.164 -23.546 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.705 -3.386 -23.165 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.258 -3.151 -21.490 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.391 -1.845 -22.332 1.00 0.00 H new ATOM 202 N GLY A 14 -7.862 -4.684 -18.763 1.00 0.00 N ATOM 203 CA GLY A 14 -8.447 -5.486 -17.704 1.00 0.00 C ATOM 204 C GLY A 14 -8.243 -4.875 -16.333 1.00 0.00 C ATOM 205 O GLY A 14 -9.186 -4.756 -15.551 1.00 0.00 O ATOM 0 H GLY A 14 -6.960 -5.016 -19.104 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.514 -5.605 -17.890 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.007 -6.483 -17.723 1.00 0.00 H new ATOM 209 N PHE A 15 -7.006 -4.487 -16.038 1.00 0.00 N ATOM 210 CA PHE A 15 -6.680 -3.886 -14.749 1.00 0.00 C ATOM 211 C PHE A 15 -7.453 -2.587 -14.544 1.00 0.00 C ATOM 212 O PHE A 15 -8.056 -2.370 -13.493 1.00 0.00 O ATOM 213 CB PHE A 15 -5.177 -3.620 -14.653 1.00 0.00 C ATOM 214 CG PHE A 15 -4.342 -4.867 -14.715 1.00 0.00 C ATOM 215 CD1 PHE A 15 -4.566 -5.912 -13.834 1.00 0.00 C ATOM 216 CD2 PHE A 15 -3.332 -4.994 -15.656 1.00 0.00 C ATOM 217 CE1 PHE A 15 -3.800 -7.061 -13.889 1.00 0.00 C ATOM 218 CE2 PHE A 15 -2.563 -6.141 -15.716 1.00 0.00 C ATOM 219 CZ PHE A 15 -2.796 -7.175 -14.831 1.00 0.00 C ATOM 0 H PHE A 15 -6.213 -4.578 -16.674 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.968 -4.587 -13.965 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.882 -2.954 -15.464 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.967 -3.098 -13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.349 -5.828 -13.095 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.144 -4.188 -16.350 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.986 -7.869 -13.197 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.780 -6.228 -16.455 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.195 -8.071 -14.875 1.00 0.00 H new ATOM 229 N ARG A 16 -7.428 -1.725 -15.555 1.00 0.00 N ATOM 230 CA ARG A 16 -8.124 -0.445 -15.485 1.00 0.00 C ATOM 231 C ARG A 16 -9.530 -0.621 -14.920 1.00 0.00 C ATOM 232 O ARG A 16 -10.069 0.279 -14.275 1.00 0.00 O ATOM 233 CB ARG A 16 -8.197 0.196 -16.873 1.00 0.00 C ATOM 234 CG ARG A 16 -8.851 1.568 -16.876 1.00 0.00 C ATOM 235 CD ARG A 16 -7.966 2.608 -16.206 1.00 0.00 C ATOM 236 NE ARG A 16 -8.746 3.700 -15.629 1.00 0.00 N ATOM 237 CZ ARG A 16 -9.365 4.624 -16.355 1.00 0.00 C ATOM 238 NH1 ARG A 16 -9.295 4.589 -17.678 1.00 0.00 N ATOM 239 NH2 ARG A 16 -10.055 5.587 -15.756 1.00 0.00 N ATOM 0 H ARG A 16 -6.934 -1.889 -16.432 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.563 0.210 -14.818 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.189 0.283 -17.278 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.752 -0.463 -17.540 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.058 1.871 -17.902 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.809 1.517 -16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.375 2.132 -15.424 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.263 3.010 -16.936 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.819 3.756 -14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.765 3.851 -18.141 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.771 5.300 -18.233 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.110 5.617 -14.738 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.530 6.296 -16.314 1.00 0.00 H new ATOM 253 N LEU A 17 -10.120 -1.786 -15.167 1.00 0.00 N ATOM 254 CA LEU A 17 -11.464 -2.081 -14.683 1.00 0.00 C ATOM 255 C LEU A 17 -11.529 -1.986 -13.162 1.00 0.00 C ATOM 256 O LEU A 17 -12.445 -1.382 -12.606 1.00 0.00 O ATOM 257 CB LEU A 17 -11.897 -3.476 -15.137 1.00 0.00 C ATOM 258 CG LEU A 17 -13.380 -3.644 -15.469 1.00 0.00 C ATOM 259 CD1 LEU A 17 -13.678 -5.082 -15.866 1.00 0.00 C ATOM 260 CD2 LEU A 17 -14.242 -3.226 -14.287 1.00 0.00 C ATOM 0 H LEU A 17 -9.689 -2.541 -15.700 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.145 -1.341 -15.104 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.315 -3.746 -16.018 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.638 -4.188 -14.353 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.619 -2.998 -16.314 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.738 -5.183 -16.099 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.087 -5.347 -16.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.423 -5.747 -15.041 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.294 -3.352 -14.541 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.001 -3.846 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.049 -2.180 -14.048 1.00 0.00 H new ATOM 272 N ALA A 18 -10.548 -2.585 -12.495 1.00 0.00 N ATOM 273 CA ALA A 18 -10.490 -2.565 -11.039 1.00 0.00 C ATOM 274 C ALA A 18 -9.819 -1.293 -10.533 1.00 0.00 C ATOM 275 O ALA A 18 -9.987 -0.907 -9.377 1.00 0.00 O ATOM 276 CB ALA A 18 -9.755 -3.793 -10.522 1.00 0.00 C ATOM 0 H ALA A 18 -9.782 -3.090 -12.940 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.512 -2.581 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.720 -3.764 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.279 -4.693 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.739 -3.803 -10.918 1.00 0.00 H new ATOM 282 N GLY A 19 -9.056 -0.644 -11.408 1.00 0.00 N ATOM 283 CA GLY A 19 -8.370 0.578 -11.031 1.00 0.00 C ATOM 284 C GLY A 19 -7.411 0.372 -9.876 1.00 0.00 C ATOM 285 O GLY A 19 -6.970 1.334 -9.247 1.00 0.00 O ATOM 0 H GLY A 19 -8.901 -0.943 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.821 0.963 -11.891 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.106 1.334 -10.758 1.00 0.00 H new ATOM 289 N ILE A 20 -7.088 -0.886 -9.594 1.00 0.00 N ATOM 290 CA ILE A 20 -6.176 -1.215 -8.506 1.00 0.00 C ATOM 291 C ILE A 20 -4.791 -1.568 -9.037 1.00 0.00 C ATOM 292 O ILE A 20 -3.795 -1.457 -8.323 1.00 0.00 O ATOM 293 CB ILE A 20 -6.706 -2.390 -7.663 1.00 0.00 C ATOM 294 CG1 ILE A 20 -8.231 -2.327 -7.561 1.00 0.00 C ATOM 295 CG2 ILE A 20 -6.076 -2.376 -6.278 1.00 0.00 C ATOM 296 CD1 ILE A 20 -8.815 -3.333 -6.595 1.00 0.00 C ATOM 0 H ILE A 20 -7.445 -1.694 -10.104 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.105 -0.329 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.432 -3.323 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.525 -1.324 -7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.660 -2.493 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.461 -3.213 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.994 -2.465 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.322 -1.440 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.900 -3.230 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.552 -4.341 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.415 -3.154 -5.597 1.00 0.00 H new ATOM 308 N SER A 21 -4.737 -1.993 -10.295 1.00 0.00 N ATOM 309 CA SER A 21 -3.474 -2.365 -10.923 1.00 0.00 C ATOM 310 C SER A 21 -3.028 -1.299 -11.919 1.00 0.00 C ATOM 311 O SER A 21 -3.485 -1.270 -13.062 1.00 0.00 O ATOM 312 CB SER A 21 -3.609 -3.715 -11.629 1.00 0.00 C ATOM 313 OG SER A 21 -4.935 -4.207 -11.540 1.00 0.00 O ATOM 0 H SER A 21 -5.553 -2.088 -10.900 1.00 0.00 H new ATOM 0 HA SER A 21 -2.718 -2.446 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.326 -3.611 -12.676 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.921 -4.433 -11.183 1.00 0.00 H new ATOM 0 HG SER A 21 -5.190 -4.616 -12.393 1.00 0.00 H new ATOM 319 N LYS A 22 -2.132 -0.423 -11.477 1.00 0.00 N ATOM 320 CA LYS A 22 -1.621 0.645 -12.328 1.00 0.00 C ATOM 321 C LYS A 22 -0.557 0.117 -13.285 1.00 0.00 C ATOM 322 O LYS A 22 0.608 -0.027 -12.915 1.00 0.00 O ATOM 323 CB LYS A 22 -1.038 1.772 -11.473 1.00 0.00 C ATOM 324 CG LYS A 22 -1.819 3.072 -11.566 1.00 0.00 C ATOM 325 CD LYS A 22 -3.281 2.871 -11.205 1.00 0.00 C ATOM 326 CE LYS A 22 -3.701 3.776 -10.056 1.00 0.00 C ATOM 327 NZ LYS A 22 -3.975 5.166 -10.516 1.00 0.00 N ATOM 0 H LYS A 22 -1.744 -0.432 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.452 1.035 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.008 1.449 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.008 1.954 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.377 3.812 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.745 3.471 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.903 3.075 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.449 1.830 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.593 3.369 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.916 3.792 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.258 5.751 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.117 5.564 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.742 5.154 -11.218 1.00 0.00 H new ATOM 341 N VAL A 23 -0.965 -0.170 -14.517 1.00 0.00 N ATOM 342 CA VAL A 23 -0.046 -0.680 -15.528 1.00 0.00 C ATOM 343 C VAL A 23 0.111 0.310 -16.677 1.00 0.00 C ATOM 344 O VAL A 23 -0.819 1.044 -17.009 1.00 0.00 O ATOM 345 CB VAL A 23 -0.525 -2.031 -16.091 1.00 0.00 C ATOM 346 CG1 VAL A 23 -1.962 -1.928 -16.578 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.395 -2.497 -17.209 1.00 0.00 C ATOM 0 H VAL A 23 -1.926 -0.058 -14.839 1.00 0.00 H new ATOM 0 HA VAL A 23 0.918 -0.820 -15.038 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.491 -2.771 -15.292 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.283 -2.892 -16.972 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.608 -1.642 -15.748 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.027 -1.175 -17.364 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.042 -3.453 -17.596 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.396 -1.759 -18.011 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.407 -2.613 -16.822 1.00 0.00 H new ATOM 357 N TYR A 24 1.295 0.324 -17.280 1.00 0.00 N ATOM 358 CA TYR A 24 1.575 1.225 -18.391 1.00 0.00 C ATOM 359 C TYR A 24 1.654 0.458 -19.708 1.00 0.00 C ATOM 360 O TYR A 24 1.460 -0.757 -19.743 1.00 0.00 O ATOM 361 CB TYR A 24 2.885 1.976 -18.148 1.00 0.00 C ATOM 362 CG TYR A 24 2.853 2.869 -16.927 1.00 0.00 C ATOM 363 CD1 TYR A 24 1.998 3.962 -16.864 1.00 0.00 C ATOM 364 CD2 TYR A 24 3.677 2.618 -15.837 1.00 0.00 C ATOM 365 CE1 TYR A 24 1.966 4.780 -15.751 1.00 0.00 C ATOM 366 CE2 TYR A 24 3.651 3.430 -14.720 1.00 0.00 C ATOM 367 CZ TYR A 24 2.794 4.510 -14.682 1.00 0.00 C ATOM 368 OH TYR A 24 2.764 5.322 -13.571 1.00 0.00 O ATOM 0 H TYR A 24 2.075 -0.278 -17.018 1.00 0.00 H new ATOM 0 HA TYR A 24 0.758 1.943 -18.457 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.694 1.253 -18.038 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.115 2.581 -19.025 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.347 4.176 -17.699 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.350 1.773 -15.864 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.296 5.626 -15.718 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.298 3.220 -13.881 1.00 0.00 H new ATOM 0 HH TYR A 24 3.407 4.994 -12.908 1.00 0.00 H new ATOM 378 N GLU A 25 1.939 1.178 -20.789 1.00 0.00 N ATOM 379 CA GLU A 25 2.043 0.565 -22.108 1.00 0.00 C ATOM 380 C GLU A 25 3.320 1.010 -22.815 1.00 0.00 C ATOM 381 O GLU A 25 3.446 2.163 -23.229 1.00 0.00 O ATOM 382 CB GLU A 25 0.824 0.925 -22.959 1.00 0.00 C ATOM 383 CG GLU A 25 -0.456 1.081 -22.155 1.00 0.00 C ATOM 384 CD GLU A 25 -0.582 2.451 -21.518 1.00 0.00 C ATOM 385 OE1 GLU A 25 -0.060 3.426 -22.099 1.00 0.00 O ATOM 386 OE2 GLU A 25 -1.204 2.548 -20.439 1.00 0.00 O ATOM 0 H GLU A 25 2.102 2.185 -20.777 1.00 0.00 H new ATOM 0 HA GLU A 25 2.079 -0.516 -21.977 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.025 1.855 -23.491 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.677 0.152 -23.713 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.313 0.907 -22.806 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.487 0.318 -21.377 1.00 0.00 H new ATOM 393 N THR A 26 4.268 0.087 -22.949 1.00 0.00 N ATOM 394 CA THR A 26 5.536 0.383 -23.604 1.00 0.00 C ATOM 395 C THR A 26 5.700 -0.435 -24.880 1.00 0.00 C ATOM 396 O THR A 26 6.422 -1.431 -24.919 1.00 0.00 O ATOM 397 CB THR A 26 6.729 0.102 -22.671 1.00 0.00 C ATOM 398 OG1 THR A 26 6.360 0.365 -21.312 1.00 0.00 O ATOM 399 CG2 THR A 26 7.927 0.959 -23.052 1.00 0.00 C ATOM 0 H THR A 26 4.181 -0.872 -22.612 1.00 0.00 H new ATOM 0 HA THR A 26 5.522 1.444 -23.855 1.00 0.00 H new ATOM 0 HB THR A 26 7.005 -0.947 -22.775 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.150 0.652 -20.808 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.757 0.743 -22.379 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.223 0.736 -24.077 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.660 2.013 -22.973 1.00 0.00 H new ATOM 407 N PRO A 27 5.015 -0.006 -25.951 1.00 0.00 N ATOM 408 CA PRO A 27 5.070 -0.685 -27.249 1.00 0.00 C ATOM 409 C PRO A 27 6.425 -0.525 -27.930 1.00 0.00 C ATOM 410 O PRO A 27 6.992 -1.491 -28.440 1.00 0.00 O ATOM 411 CB PRO A 27 3.977 0.015 -28.061 1.00 0.00 C ATOM 412 CG PRO A 27 3.848 1.363 -27.440 1.00 0.00 C ATOM 413 CD PRO A 27 4.134 1.174 -25.976 1.00 0.00 C ATOM 0 HA PRO A 27 4.926 -1.761 -27.153 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.251 0.089 -29.113 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.036 -0.534 -28.015 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.550 2.067 -27.887 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.848 1.769 -27.593 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.621 2.049 -25.545 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.220 1.006 -25.406 1.00 0.00 H new ATOM 421 N ASP A 28 6.939 0.700 -27.934 1.00 0.00 N ATOM 422 CA ASP A 28 8.229 0.987 -28.551 1.00 0.00 C ATOM 423 C ASP A 28 9.343 0.979 -27.509 1.00 0.00 C ATOM 424 O ASP A 28 9.098 1.201 -26.323 1.00 0.00 O ATOM 425 CB ASP A 28 8.188 2.340 -29.262 1.00 0.00 C ATOM 426 CG ASP A 28 6.852 2.605 -29.927 1.00 0.00 C ATOM 427 OD1 ASP A 28 6.392 1.739 -30.700 1.00 0.00 O ATOM 428 OD2 ASP A 28 6.266 3.679 -29.674 1.00 0.00 O ATOM 0 H ASP A 28 6.482 1.511 -27.517 1.00 0.00 H new ATOM 0 HA ASP A 28 8.436 0.207 -29.284 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.395 3.132 -28.542 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.978 2.377 -30.013 1.00 0.00 H new ATOM 433 N ILE A 29 10.566 0.721 -27.960 1.00 0.00 N ATOM 434 CA ILE A 29 11.717 0.684 -27.067 1.00 0.00 C ATOM 435 C ILE A 29 12.056 2.078 -26.549 1.00 0.00 C ATOM 436 O ILE A 29 12.356 2.274 -25.371 1.00 0.00 O ATOM 437 CB ILE A 29 12.955 0.095 -27.768 1.00 0.00 C ATOM 438 CG1 ILE A 29 14.127 1.075 -27.691 1.00 0.00 C ATOM 439 CG2 ILE A 29 12.633 -0.242 -29.217 1.00 0.00 C ATOM 440 CD1 ILE A 29 15.422 0.513 -28.236 1.00 0.00 C ATOM 0 H ILE A 29 10.785 0.535 -28.939 1.00 0.00 H new ATOM 0 HA ILE A 29 11.445 0.043 -26.228 1.00 0.00 H new ATOM 0 HB ILE A 29 13.241 -0.824 -27.256 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.871 1.979 -28.244 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.277 1.369 -26.652 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.518 -0.657 -29.699 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.825 -0.973 -29.250 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.325 0.663 -29.741 1.00 0.00 H new ATOM 0 HD11 ILE A 29 16.209 1.262 -28.149 1.00 0.00 H new ATOM 0 HD12 ILE A 29 15.701 -0.374 -27.668 1.00 0.00 H new ATOM 0 HD13 ILE A 29 15.290 0.245 -29.284 1.00 0.00 H new ATOM 452 N PRO A 30 12.006 3.072 -27.449 1.00 0.00 N ATOM 453 CA PRO A 30 12.302 4.466 -27.105 1.00 0.00 C ATOM 454 C PRO A 30 11.228 5.084 -26.217 1.00 0.00 C ATOM 455 O PRO A 30 11.531 5.860 -25.310 1.00 0.00 O ATOM 456 CB PRO A 30 12.339 5.166 -28.466 1.00 0.00 C ATOM 457 CG PRO A 30 11.481 4.326 -29.348 1.00 0.00 C ATOM 458 CD PRO A 30 11.656 2.911 -28.870 1.00 0.00 C ATOM 0 HA PRO A 30 13.228 4.559 -26.537 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.958 6.185 -28.397 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.357 5.231 -28.850 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.437 4.633 -29.284 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.779 4.425 -30.392 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.743 2.329 -28.996 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.442 2.395 -29.421 1.00 0.00 H new ATOM 466 N ALA A 31 9.974 4.736 -26.482 1.00 0.00 N ATOM 467 CA ALA A 31 8.855 5.256 -25.705 1.00 0.00 C ATOM 468 C ALA A 31 9.017 4.928 -24.224 1.00 0.00 C ATOM 469 O ALA A 31 8.420 5.577 -23.365 1.00 0.00 O ATOM 470 CB ALA A 31 7.542 4.696 -26.231 1.00 0.00 C ATOM 0 H ALA A 31 9.707 4.096 -27.229 1.00 0.00 H new ATOM 0 HA ALA A 31 8.843 6.341 -25.811 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.715 5.093 -25.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.415 4.985 -27.274 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.553 3.609 -26.154 1.00 0.00 H new ATOM 476 N THR A 32 9.829 3.917 -23.932 1.00 0.00 N ATOM 477 CA THR A 32 10.068 3.502 -22.555 1.00 0.00 C ATOM 478 C THR A 32 10.448 4.692 -21.681 1.00 0.00 C ATOM 479 O THR A 32 10.045 4.774 -20.521 1.00 0.00 O ATOM 480 CB THR A 32 11.183 2.442 -22.473 1.00 0.00 C ATOM 481 OG1 THR A 32 10.829 1.298 -23.257 1.00 0.00 O ATOM 482 CG2 THR A 32 11.424 2.021 -21.031 1.00 0.00 C ATOM 0 H THR A 32 10.332 3.370 -24.631 1.00 0.00 H new ATOM 0 HA THR A 32 9.137 3.068 -22.189 1.00 0.00 H new ATOM 0 HB THR A 32 12.101 2.880 -22.865 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.240 1.369 -24.144 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.215 1.272 -20.998 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.722 2.889 -20.443 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.508 1.599 -20.617 1.00 0.00 H new ATOM 490 N GLU A 33 11.224 5.611 -22.245 1.00 0.00 N ATOM 491 CA GLU A 33 11.657 6.797 -21.515 1.00 0.00 C ATOM 492 C GLU A 33 10.466 7.516 -20.888 1.00 0.00 C ATOM 493 O GLU A 33 10.584 8.121 -19.823 1.00 0.00 O ATOM 494 CB GLU A 33 12.410 7.750 -22.446 1.00 0.00 C ATOM 495 CG GLU A 33 11.537 8.354 -23.533 1.00 0.00 C ATOM 496 CD GLU A 33 12.338 8.823 -24.732 1.00 0.00 C ATOM 497 OE1 GLU A 33 13.370 9.496 -24.530 1.00 0.00 O ATOM 498 OE2 GLU A 33 11.933 8.515 -25.873 1.00 0.00 O ATOM 0 H GLU A 33 11.566 5.558 -23.205 1.00 0.00 H new ATOM 0 HA GLU A 33 12.326 6.476 -20.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.847 8.554 -21.854 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.236 7.213 -22.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.804 7.615 -23.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.981 9.196 -23.121 1.00 0.00 H new ATOM 505 N SER A 34 9.320 7.444 -21.557 1.00 0.00 N ATOM 506 CA SER A 34 8.108 8.091 -21.069 1.00 0.00 C ATOM 507 C SER A 34 7.643 7.457 -19.762 1.00 0.00 C ATOM 508 O SER A 34 7.422 8.149 -18.768 1.00 0.00 O ATOM 509 CB SER A 34 6.997 7.998 -22.117 1.00 0.00 C ATOM 510 OG SER A 34 6.008 8.989 -21.901 1.00 0.00 O ATOM 0 H SER A 34 9.205 6.944 -22.439 1.00 0.00 H new ATOM 0 HA SER A 34 8.336 9.141 -20.883 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.422 8.115 -23.114 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.540 7.009 -22.080 1.00 0.00 H new ATOM 0 HG SER A 34 5.310 8.909 -22.585 1.00 0.00 H new ATOM 516 N ALA A 35 7.496 6.136 -19.771 1.00 0.00 N ATOM 517 CA ALA A 35 7.059 5.408 -18.587 1.00 0.00 C ATOM 518 C ALA A 35 8.065 5.553 -17.450 1.00 0.00 C ATOM 519 O ALA A 35 7.708 5.462 -16.276 1.00 0.00 O ATOM 520 CB ALA A 35 6.845 3.939 -18.920 1.00 0.00 C ATOM 0 H ALA A 35 7.673 5.548 -20.586 1.00 0.00 H new ATOM 0 HA ALA A 35 6.113 5.836 -18.257 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.519 3.407 -18.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.083 3.849 -19.694 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.780 3.507 -19.278 1.00 0.00 H new ATOM 526 N VAL A 36 9.326 5.780 -17.808 1.00 0.00 N ATOM 527 CA VAL A 36 10.384 5.938 -16.818 1.00 0.00 C ATOM 528 C VAL A 36 10.137 7.159 -15.939 1.00 0.00 C ATOM 529 O VAL A 36 10.537 7.191 -14.775 1.00 0.00 O ATOM 530 CB VAL A 36 11.764 6.073 -17.488 1.00 0.00 C ATOM 531 CG1 VAL A 36 12.786 6.618 -16.502 1.00 0.00 C ATOM 532 CG2 VAL A 36 12.216 4.734 -18.051 1.00 0.00 C ATOM 0 H VAL A 36 9.639 5.858 -18.776 1.00 0.00 H new ATOM 0 HA VAL A 36 10.375 5.041 -16.199 1.00 0.00 H new ATOM 0 HB VAL A 36 11.680 6.779 -18.314 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.755 6.706 -16.994 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.466 7.599 -16.152 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.870 5.939 -15.653 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.193 4.848 -18.521 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.284 4.004 -17.244 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.495 4.389 -18.792 1.00 0.00 H new ATOM 542 N ARG A 37 9.474 8.163 -16.504 1.00 0.00 N ATOM 543 CA ARG A 37 9.173 9.388 -15.772 1.00 0.00 C ATOM 544 C ARG A 37 8.533 9.072 -14.424 1.00 0.00 C ATOM 545 O ARG A 37 8.875 9.675 -13.406 1.00 0.00 O ATOM 546 CB ARG A 37 8.243 10.282 -16.593 1.00 0.00 C ATOM 547 CG ARG A 37 8.887 10.837 -17.853 1.00 0.00 C ATOM 548 CD ARG A 37 8.245 12.149 -18.276 1.00 0.00 C ATOM 549 NE ARG A 37 8.486 13.214 -17.306 1.00 0.00 N ATOM 550 CZ ARG A 37 9.645 13.853 -17.189 1.00 0.00 C ATOM 551 NH1 ARG A 37 10.663 13.536 -17.978 1.00 0.00 N ATOM 552 NH2 ARG A 37 9.788 14.811 -16.283 1.00 0.00 N ATOM 0 H ARG A 37 9.135 8.152 -17.466 1.00 0.00 H new ATOM 0 HA ARG A 37 10.110 9.916 -15.595 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.356 9.712 -16.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.908 11.112 -15.971 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.952 10.991 -17.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.796 10.110 -18.660 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.638 12.448 -19.248 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.171 12.005 -18.397 1.00 0.00 H new ATOM 0 HE ARG A 37 7.723 13.482 -16.684 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.557 12.800 -18.676 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.552 14.028 -17.886 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.007 15.058 -15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.678 15.300 -16.195 1.00 0.00 H new ATOM 566 N SER A 38 7.602 8.123 -14.424 1.00 0.00 N ATOM 567 CA SER A 38 6.910 7.730 -13.202 1.00 0.00 C ATOM 568 C SER A 38 7.689 6.648 -12.461 1.00 0.00 C ATOM 569 O SER A 38 7.607 6.534 -11.238 1.00 0.00 O ATOM 570 CB SER A 38 5.501 7.229 -13.527 1.00 0.00 C ATOM 571 OG SER A 38 4.842 8.106 -14.423 1.00 0.00 O ATOM 0 H SER A 38 7.310 7.612 -15.257 1.00 0.00 H new ATOM 0 HA SER A 38 6.836 8.606 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.558 6.232 -13.965 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.922 7.141 -12.608 1.00 0.00 H new ATOM 0 HG SER A 38 3.945 7.763 -14.616 1.00 0.00 H new ATOM 577 N VAL A 39 8.446 5.853 -13.211 1.00 0.00 N ATOM 578 CA VAL A 39 9.241 4.780 -12.627 1.00 0.00 C ATOM 579 C VAL A 39 10.303 5.334 -11.683 1.00 0.00 C ATOM 580 O VAL A 39 10.514 4.805 -10.591 1.00 0.00 O ATOM 581 CB VAL A 39 9.929 3.935 -13.716 1.00 0.00 C ATOM 582 CG1 VAL A 39 10.794 2.854 -13.086 1.00 0.00 C ATOM 583 CG2 VAL A 39 8.895 3.325 -14.650 1.00 0.00 C ATOM 0 H VAL A 39 8.525 5.932 -14.225 1.00 0.00 H new ATOM 0 HA VAL A 39 8.554 4.147 -12.065 1.00 0.00 H new ATOM 0 HB VAL A 39 10.575 4.587 -14.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.272 2.267 -13.870 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.559 3.317 -12.462 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.172 2.202 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.399 2.732 -15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.221 2.686 -14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.323 4.120 -15.128 1.00 0.00 H new ATOM 593 N LEU A 40 10.967 6.402 -12.110 1.00 0.00 N ATOM 594 CA LEU A 40 12.007 7.029 -11.303 1.00 0.00 C ATOM 595 C LEU A 40 11.511 7.293 -9.885 1.00 0.00 C ATOM 596 O LEU A 40 12.293 7.305 -8.935 1.00 0.00 O ATOM 597 CB LEU A 40 12.461 8.340 -11.948 1.00 0.00 C ATOM 598 CG LEU A 40 11.475 9.505 -11.866 1.00 0.00 C ATOM 599 CD1 LEU A 40 11.667 10.276 -10.569 1.00 0.00 C ATOM 600 CD2 LEU A 40 11.639 10.428 -13.065 1.00 0.00 C ATOM 0 H LEU A 40 10.804 6.852 -13.011 1.00 0.00 H new ATOM 0 HA LEU A 40 12.854 6.344 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.396 8.648 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.679 8.148 -12.999 1.00 0.00 H new ATOM 0 HG LEU A 40 10.463 9.101 -11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.957 11.102 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.499 9.611 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.683 10.669 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.929 11.252 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.654 10.824 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.451 9.870 -13.982 1.00 0.00 H new ATOM 612 N GLU A 41 10.205 7.503 -9.750 1.00 0.00 N ATOM 613 CA GLU A 41 9.605 7.765 -8.447 1.00 0.00 C ATOM 614 C GLU A 41 8.812 6.556 -7.960 1.00 0.00 C ATOM 615 O GLU A 41 8.440 6.475 -6.789 1.00 0.00 O ATOM 616 CB GLU A 41 8.692 8.991 -8.519 1.00 0.00 C ATOM 617 CG GLU A 41 7.473 8.791 -9.404 1.00 0.00 C ATOM 618 CD GLU A 41 6.473 9.926 -9.285 1.00 0.00 C ATOM 619 OE1 GLU A 41 6.824 11.065 -9.657 1.00 0.00 O ATOM 620 OE2 GLU A 41 5.342 9.674 -8.820 1.00 0.00 O ATOM 0 H GLU A 41 9.543 7.497 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 41 10.409 7.960 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.362 9.247 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.266 9.839 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.793 8.701 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.986 7.853 -9.138 1.00 0.00 H new ATOM 627 N ASP A 42 8.558 5.618 -8.866 1.00 0.00 N ATOM 628 CA ASP A 42 7.811 4.412 -8.530 1.00 0.00 C ATOM 629 C ASP A 42 8.638 3.491 -7.638 1.00 0.00 C ATOM 630 O ASP A 42 8.111 2.560 -7.029 1.00 0.00 O ATOM 631 CB ASP A 42 7.395 3.672 -9.802 1.00 0.00 C ATOM 632 CG ASP A 42 6.168 2.806 -9.594 1.00 0.00 C ATOM 633 OD1 ASP A 42 6.282 1.772 -8.903 1.00 0.00 O ATOM 634 OD2 ASP A 42 5.094 3.163 -10.121 1.00 0.00 O ATOM 0 H ASP A 42 8.859 5.670 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 42 6.916 4.710 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.195 4.397 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.222 3.049 -10.143 1.00 0.00 H new ATOM 639 N LYS A 43 9.938 3.757 -7.567 1.00 0.00 N ATOM 640 CA LYS A 43 10.840 2.953 -6.750 1.00 0.00 C ATOM 641 C LYS A 43 10.501 3.091 -5.269 1.00 0.00 C ATOM 642 O LYS A 43 10.587 2.126 -4.511 1.00 0.00 O ATOM 643 CB LYS A 43 12.291 3.372 -6.993 1.00 0.00 C ATOM 644 CG LYS A 43 12.659 3.464 -8.464 1.00 0.00 C ATOM 645 CD LYS A 43 14.062 4.016 -8.655 1.00 0.00 C ATOM 646 CE LYS A 43 15.089 3.212 -7.871 1.00 0.00 C ATOM 647 NZ LYS A 43 16.478 3.681 -8.133 1.00 0.00 N ATOM 0 H LYS A 43 10.391 4.523 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 43 10.717 1.909 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.465 4.340 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.953 2.657 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.591 2.476 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.942 4.103 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.319 4.002 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.091 5.057 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.874 3.290 -6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.005 2.158 -8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.148 3.108 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.692 3.583 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.565 4.679 -7.856 1.00 0.00 H new ATOM 661 N SER A 44 10.116 4.297 -4.864 1.00 0.00 N ATOM 662 CA SER A 44 9.767 4.562 -3.474 1.00 0.00 C ATOM 663 C SER A 44 8.253 4.561 -3.284 1.00 0.00 C ATOM 664 O SER A 44 7.729 5.206 -2.375 1.00 0.00 O ATOM 665 CB SER A 44 10.348 5.904 -3.026 1.00 0.00 C ATOM 666 OG SER A 44 10.105 6.131 -1.648 1.00 0.00 O ATOM 0 H SER A 44 10.038 5.106 -5.480 1.00 0.00 H new ATOM 0 HA SER A 44 10.193 3.768 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.421 5.921 -3.217 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.907 6.709 -3.614 1.00 0.00 H new ATOM 0 HG SER A 44 9.197 5.838 -1.423 1.00 0.00 H new ATOM 672 N VAL A 45 7.555 3.833 -4.150 1.00 0.00 N ATOM 673 CA VAL A 45 6.101 3.747 -4.078 1.00 0.00 C ATOM 674 C VAL A 45 5.657 2.403 -3.512 1.00 0.00 C ATOM 675 O VAL A 45 5.200 2.317 -2.373 1.00 0.00 O ATOM 676 CB VAL A 45 5.458 3.944 -5.464 1.00 0.00 C ATOM 677 CG1 VAL A 45 4.001 3.509 -5.444 1.00 0.00 C ATOM 678 CG2 VAL A 45 5.584 5.394 -5.907 1.00 0.00 C ATOM 0 H VAL A 45 7.973 3.295 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 45 5.770 4.545 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 45 5.988 3.320 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.564 3.656 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.940 2.455 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.454 4.104 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.125 5.516 -6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.080 6.039 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.638 5.667 -5.963 1.00 0.00 H new ATOM 688 N GLY A 46 5.796 1.353 -4.316 1.00 0.00 N ATOM 689 CA GLY A 46 5.405 0.026 -3.877 1.00 0.00 C ATOM 690 C GLY A 46 6.118 -1.071 -4.643 1.00 0.00 C ATOM 691 O GLY A 46 7.348 -1.131 -4.655 1.00 0.00 O ATOM 0 H GLY A 46 6.172 1.398 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.619 -0.079 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.328 -0.091 -3.998 1.00 0.00 H new ATOM 695 N ILE A 47 5.345 -1.943 -5.282 1.00 0.00 N ATOM 696 CA ILE A 47 5.910 -3.043 -6.053 1.00 0.00 C ATOM 697 C ILE A 47 5.808 -2.774 -7.551 1.00 0.00 C ATOM 698 O ILE A 47 4.739 -2.437 -8.061 1.00 0.00 O ATOM 699 CB ILE A 47 5.206 -4.375 -5.733 1.00 0.00 C ATOM 700 CG1 ILE A 47 5.216 -4.632 -4.225 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.876 -5.521 -6.476 1.00 0.00 C ATOM 702 CD1 ILE A 47 3.983 -4.116 -3.515 1.00 0.00 C ATOM 0 H ILE A 47 4.326 -1.909 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 47 6.960 -3.119 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 47 4.170 -4.310 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.305 -5.704 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.099 -4.163 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.367 -6.455 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.821 -5.340 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.921 -5.590 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.059 -4.333 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.903 -3.039 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.098 -4.604 -3.922 1.00 0.00 H new ATOM 714 N LEU A 48 6.927 -2.928 -8.251 1.00 0.00 N ATOM 715 CA LEU A 48 6.964 -2.704 -9.692 1.00 0.00 C ATOM 716 C LEU A 48 7.080 -4.025 -10.445 1.00 0.00 C ATOM 717 O LEU A 48 7.658 -4.990 -9.944 1.00 0.00 O ATOM 718 CB LEU A 48 8.136 -1.792 -10.056 1.00 0.00 C ATOM 719 CG LEU A 48 8.346 -0.576 -9.153 1.00 0.00 C ATOM 720 CD1 LEU A 48 9.207 -0.943 -7.954 1.00 0.00 C ATOM 721 CD2 LEU A 48 8.977 0.567 -9.935 1.00 0.00 C ATOM 0 H LEU A 48 7.820 -3.207 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 48 6.032 -2.221 -9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.049 -2.387 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.993 -1.440 -11.078 1.00 0.00 H new ATOM 0 HG LEU A 48 7.373 -0.247 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.345 -0.065 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.716 -1.729 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.178 -1.299 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.119 1.424 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.942 0.249 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.323 0.848 -10.760 1.00 0.00 H new ATOM 733 N VAL A 49 6.529 -4.062 -11.654 1.00 0.00 N ATOM 734 CA VAL A 49 6.573 -5.263 -12.479 1.00 0.00 C ATOM 735 C VAL A 49 6.521 -4.914 -13.962 1.00 0.00 C ATOM 736 O VAL A 49 5.516 -4.403 -14.455 1.00 0.00 O ATOM 737 CB VAL A 49 5.409 -6.215 -12.147 1.00 0.00 C ATOM 738 CG1 VAL A 49 4.168 -5.427 -11.759 1.00 0.00 C ATOM 739 CG2 VAL A 49 5.120 -7.135 -13.324 1.00 0.00 C ATOM 0 H VAL A 49 6.046 -3.273 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 49 7.516 -5.763 -12.259 1.00 0.00 H new ATOM 0 HB VAL A 49 5.699 -6.832 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.356 -6.117 -11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.385 -4.815 -10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.872 -4.783 -12.587 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.295 -7.801 -13.071 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.851 -6.538 -14.195 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.007 -7.727 -13.550 1.00 0.00 H new ATOM 749 N MET A 50 7.612 -5.193 -14.669 1.00 0.00 N ATOM 750 CA MET A 50 7.690 -4.910 -16.097 1.00 0.00 C ATOM 751 C MET A 50 7.926 -6.190 -16.893 1.00 0.00 C ATOM 752 O MET A 50 8.188 -7.249 -16.321 1.00 0.00 O ATOM 753 CB MET A 50 8.809 -3.906 -16.379 1.00 0.00 C ATOM 754 CG MET A 50 8.964 -2.849 -15.298 1.00 0.00 C ATOM 755 SD MET A 50 10.379 -1.768 -15.581 1.00 0.00 S ATOM 756 CE MET A 50 10.325 -0.747 -14.111 1.00 0.00 C ATOM 0 H MET A 50 8.454 -5.615 -14.276 1.00 0.00 H new ATOM 0 HA MET A 50 6.739 -4.480 -16.409 1.00 0.00 H new ATOM 0 HB2 MET A 50 9.751 -4.445 -16.487 1.00 0.00 H new ATOM 0 HB3 MET A 50 8.613 -3.414 -17.331 1.00 0.00 H new ATOM 0 HG2 MET A 50 8.056 -2.248 -15.251 1.00 0.00 H new ATOM 0 HG3 MET A 50 9.073 -3.338 -14.330 1.00 0.00 H new ATOM 0 HE1 MET A 50 10.112 0.284 -14.392 1.00 0.00 H new ATOM 0 HE2 MET A 50 9.543 -1.110 -13.444 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.287 -0.793 -13.601 1.00 0.00 H new ATOM 766 N HIS A 51 7.833 -6.085 -18.215 1.00 0.00 N ATOM 767 CA HIS A 51 8.037 -7.235 -19.089 1.00 0.00 C ATOM 768 C HIS A 51 9.387 -7.148 -19.795 1.00 0.00 C ATOM 769 O HIS A 51 9.850 -6.061 -20.137 1.00 0.00 O ATOM 770 CB HIS A 51 6.913 -7.323 -20.122 1.00 0.00 C ATOM 771 CG HIS A 51 6.774 -6.091 -20.962 1.00 0.00 C ATOM 772 ND1 HIS A 51 5.867 -5.984 -21.995 1.00 0.00 N ATOM 773 CD2 HIS A 51 7.432 -4.910 -20.916 1.00 0.00 C ATOM 774 CE1 HIS A 51 5.974 -4.789 -22.550 1.00 0.00 C ATOM 775 NE2 HIS A 51 6.917 -4.118 -21.913 1.00 0.00 N ATOM 0 H HIS A 51 7.618 -5.216 -18.704 1.00 0.00 H new ATOM 0 HA HIS A 51 8.026 -8.135 -18.473 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.095 -8.178 -20.773 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.971 -7.510 -19.607 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.215 -6.713 -22.286 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.216 -4.640 -20.224 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.390 -4.424 -23.382 1.00 0.00 H new ATOM 783 N ASN A 52 10.013 -8.301 -20.009 1.00 0.00 N ATOM 784 CA ASN A 52 11.310 -8.354 -20.672 1.00 0.00 C ATOM 785 C ASN A 52 11.195 -7.915 -22.129 1.00 0.00 C ATOM 786 O ASN A 52 12.201 -7.686 -22.800 1.00 0.00 O ATOM 787 CB ASN A 52 11.886 -9.770 -20.599 1.00 0.00 C ATOM 788 CG ASN A 52 12.805 -9.960 -19.408 1.00 0.00 C ATOM 789 OD1 ASN A 52 13.690 -9.142 -19.156 1.00 0.00 O ATOM 790 ND2 ASN A 52 12.599 -11.044 -18.669 1.00 0.00 N ATOM 0 H ASN A 52 9.643 -9.210 -19.733 1.00 0.00 H new ATOM 0 HA ASN A 52 11.982 -7.668 -20.156 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.069 -10.489 -20.542 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.435 -9.983 -21.516 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.186 -11.226 -17.855 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.853 -11.695 -18.915 1.00 0.00 H new ATOM 797 N ASP A 53 9.962 -7.799 -22.610 1.00 0.00 N ATOM 798 CA ASP A 53 9.714 -7.385 -23.986 1.00 0.00 C ATOM 799 C ASP A 53 10.190 -5.954 -24.217 1.00 0.00 C ATOM 800 O ASP A 53 10.283 -5.497 -25.357 1.00 0.00 O ATOM 801 CB ASP A 53 8.225 -7.499 -24.315 1.00 0.00 C ATOM 802 CG ASP A 53 7.980 -8.053 -25.705 1.00 0.00 C ATOM 803 OD1 ASP A 53 8.525 -9.133 -26.018 1.00 0.00 O ATOM 804 OD2 ASP A 53 7.242 -7.408 -26.479 1.00 0.00 O ATOM 0 H ASP A 53 9.119 -7.986 -22.067 1.00 0.00 H new ATOM 0 HA ASP A 53 10.276 -8.047 -24.645 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.742 -8.143 -23.580 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.761 -6.516 -24.232 1.00 0.00 H new ATOM 809 N ASP A 54 10.489 -5.253 -23.130 1.00 0.00 N ATOM 810 CA ASP A 54 10.956 -3.873 -23.214 1.00 0.00 C ATOM 811 C ASP A 54 12.197 -3.666 -22.351 1.00 0.00 C ATOM 812 O ASP A 54 13.046 -2.829 -22.660 1.00 0.00 O ATOM 813 CB ASP A 54 9.850 -2.911 -22.777 1.00 0.00 C ATOM 814 CG ASP A 54 8.913 -2.552 -23.914 1.00 0.00 C ATOM 815 OD1 ASP A 54 8.124 -3.425 -24.330 1.00 0.00 O ATOM 816 OD2 ASP A 54 8.970 -1.397 -24.387 1.00 0.00 O ATOM 0 H ASP A 54 10.417 -5.617 -22.180 1.00 0.00 H new ATOM 0 HA ASP A 54 11.218 -3.666 -24.252 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.278 -3.364 -21.967 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.300 -2.001 -22.380 1.00 0.00 H new ATOM 821 N ILE A 55 12.295 -4.433 -21.270 1.00 0.00 N ATOM 822 CA ILE A 55 13.432 -4.333 -20.364 1.00 0.00 C ATOM 823 C ILE A 55 14.728 -4.735 -21.061 1.00 0.00 C ATOM 824 O ILE A 55 15.787 -4.165 -20.803 1.00 0.00 O ATOM 825 CB ILE A 55 13.238 -5.216 -19.117 1.00 0.00 C ATOM 826 CG1 ILE A 55 11.927 -4.860 -18.413 1.00 0.00 C ATOM 827 CG2 ILE A 55 14.416 -5.058 -18.168 1.00 0.00 C ATOM 828 CD1 ILE A 55 11.316 -6.016 -17.654 1.00 0.00 C ATOM 0 H ILE A 55 11.601 -5.130 -21.001 1.00 0.00 H new ATOM 0 HA ILE A 55 13.497 -3.290 -20.054 1.00 0.00 H new ATOM 0 HB ILE A 55 13.188 -6.258 -19.431 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.107 -4.037 -17.722 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.211 -4.503 -19.154 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.264 -5.688 -17.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.334 -5.356 -18.675 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.495 -4.016 -17.857 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.390 -5.691 -17.180 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.104 -6.833 -18.344 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.013 -6.359 -16.890 1.00 0.00 H new ATOM 840 N GLY A 56 14.635 -5.721 -21.949 1.00 0.00 N ATOM 841 CA GLY A 56 15.806 -6.182 -22.671 1.00 0.00 C ATOM 842 C GLY A 56 16.178 -5.263 -23.818 1.00 0.00 C ATOM 843 O GLY A 56 17.351 -5.141 -24.168 1.00 0.00 O ATOM 0 H GLY A 56 13.769 -6.208 -22.181 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.647 -6.258 -21.982 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.620 -7.184 -23.058 1.00 0.00 H new ATOM 847 N ASN A 57 15.176 -4.617 -24.406 1.00 0.00 N ATOM 848 CA ASN A 57 15.404 -3.707 -25.522 1.00 0.00 C ATOM 849 C ASN A 57 16.466 -2.669 -25.170 1.00 0.00 C ATOM 850 O ASN A 57 17.166 -2.159 -26.046 1.00 0.00 O ATOM 851 CB ASN A 57 14.101 -3.006 -25.911 1.00 0.00 C ATOM 852 CG ASN A 57 13.691 -3.299 -27.341 1.00 0.00 C ATOM 853 OD1 ASN A 57 14.523 -3.653 -28.177 1.00 0.00 O ATOM 854 ND2 ASN A 57 12.403 -3.153 -27.630 1.00 0.00 N ATOM 0 H ASN A 57 14.199 -4.707 -24.128 1.00 0.00 H new ATOM 0 HA ASN A 57 15.760 -4.294 -26.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.306 -3.323 -25.236 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.218 -1.930 -25.783 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.069 -3.336 -28.576 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.748 -2.858 -26.906 1.00 0.00 H new ATOM 861 N LEU A 58 16.581 -2.362 -23.883 1.00 0.00 N ATOM 862 CA LEU A 58 17.558 -1.386 -23.413 1.00 0.00 C ATOM 863 C LEU A 58 18.594 -2.044 -22.508 1.00 0.00 C ATOM 864 O LEU A 58 18.556 -1.918 -21.284 1.00 0.00 O ATOM 865 CB LEU A 58 16.856 -0.252 -22.663 1.00 0.00 C ATOM 866 CG LEU A 58 15.749 0.474 -23.428 1.00 0.00 C ATOM 867 CD1 LEU A 58 16.139 0.658 -24.886 1.00 0.00 C ATOM 868 CD2 LEU A 58 14.436 -0.288 -23.317 1.00 0.00 C ATOM 0 H LEU A 58 16.010 -2.775 -23.146 1.00 0.00 H new ATOM 0 HA LEU A 58 18.071 -0.975 -24.283 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.430 -0.659 -21.746 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.607 0.481 -22.368 1.00 0.00 H new ATOM 0 HG LEU A 58 15.613 1.460 -22.983 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.339 1.176 -25.414 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.054 1.247 -24.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 16.304 -0.317 -25.344 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.659 0.243 -23.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.559 -1.287 -23.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.148 -0.367 -22.269 1.00 0.00 H new ATOM 880 N PRO A 59 19.546 -2.763 -23.123 1.00 0.00 N ATOM 881 CA PRO A 59 20.612 -3.454 -22.392 1.00 0.00 C ATOM 882 C PRO A 59 21.610 -2.483 -21.770 1.00 0.00 C ATOM 883 O PRO A 59 21.520 -2.162 -20.585 1.00 0.00 O ATOM 884 CB PRO A 59 21.292 -4.300 -23.472 1.00 0.00 C ATOM 885 CG PRO A 59 21.009 -3.584 -24.748 1.00 0.00 C ATOM 886 CD PRO A 59 19.653 -2.956 -24.579 1.00 0.00 C ATOM 0 HA PRO A 59 20.223 -4.037 -21.557 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.364 -4.382 -23.294 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.893 -5.314 -23.490 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.768 -2.827 -24.947 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.017 -4.273 -25.592 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.578 -2.011 -25.116 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.861 -3.602 -24.958 1.00 0.00 H new ATOM 894 N GLU A 60 22.561 -2.021 -22.576 1.00 0.00 N ATOM 895 CA GLU A 60 23.576 -1.087 -22.102 1.00 0.00 C ATOM 896 C GLU A 60 22.948 0.248 -21.714 1.00 0.00 C ATOM 897 O GLU A 60 23.601 1.105 -21.118 1.00 0.00 O ATOM 898 CB GLU A 60 24.642 -0.869 -23.177 1.00 0.00 C ATOM 899 CG GLU A 60 24.100 -0.251 -24.455 1.00 0.00 C ATOM 900 CD GLU A 60 25.104 0.660 -25.134 1.00 0.00 C ATOM 901 OE1 GLU A 60 26.309 0.333 -25.115 1.00 0.00 O ATOM 902 OE2 GLU A 60 24.685 1.700 -25.684 1.00 0.00 O ATOM 0 H GLU A 60 22.650 -2.278 -23.559 1.00 0.00 H new ATOM 0 HA GLU A 60 24.045 -1.518 -21.218 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.425 -0.225 -22.775 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.107 -1.826 -23.415 1.00 0.00 H new ATOM 0 HG2 GLU A 60 23.811 -1.045 -25.144 1.00 0.00 H new ATOM 0 HG3 GLU A 60 23.198 0.316 -24.226 1.00 0.00 H new ATOM 909 N VAL A 61 21.675 0.419 -22.057 1.00 0.00 N ATOM 910 CA VAL A 61 20.957 1.649 -21.745 1.00 0.00 C ATOM 911 C VAL A 61 20.282 1.561 -20.381 1.00 0.00 C ATOM 912 O VAL A 61 20.559 2.360 -19.486 1.00 0.00 O ATOM 913 CB VAL A 61 19.893 1.964 -22.813 1.00 0.00 C ATOM 914 CG1 VAL A 61 18.938 3.038 -22.315 1.00 0.00 C ATOM 915 CG2 VAL A 61 20.555 2.391 -24.115 1.00 0.00 C ATOM 0 H VAL A 61 21.120 -0.279 -22.551 1.00 0.00 H new ATOM 0 HA VAL A 61 21.695 2.451 -21.730 1.00 0.00 H new ATOM 0 HB VAL A 61 19.317 1.059 -23.004 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.193 3.247 -23.083 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.439 2.690 -21.411 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.497 3.947 -22.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.788 2.610 -24.858 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.157 3.283 -23.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.194 1.587 -24.479 1.00 0.00 H new ATOM 925 N LEU A 62 19.395 0.584 -20.229 1.00 0.00 N ATOM 926 CA LEU A 62 18.680 0.389 -18.973 1.00 0.00 C ATOM 927 C LEU A 62 19.323 -0.719 -18.145 1.00 0.00 C ATOM 928 O LEU A 62 19.834 -0.474 -17.052 1.00 0.00 O ATOM 929 CB LEU A 62 17.213 0.051 -19.246 1.00 0.00 C ATOM 930 CG LEU A 62 16.361 1.180 -19.827 1.00 0.00 C ATOM 931 CD1 LEU A 62 14.951 0.690 -20.116 1.00 0.00 C ATOM 932 CD2 LEU A 62 16.330 2.368 -18.876 1.00 0.00 C ATOM 0 H LEU A 62 19.154 -0.085 -20.960 1.00 0.00 H new ATOM 0 HA LEU A 62 18.734 1.318 -18.406 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.178 -0.794 -19.933 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.757 -0.278 -18.312 1.00 0.00 H new ATOM 0 HG LEU A 62 16.811 1.503 -20.766 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.359 1.507 -20.529 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.990 -0.129 -20.835 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.491 0.340 -19.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.719 3.162 -19.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.904 2.059 -17.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.344 2.735 -18.719 1.00 0.00 H new ATOM 944 N ARG A 63 19.296 -1.937 -18.675 1.00 0.00 N ATOM 945 CA ARG A 63 19.878 -3.083 -17.986 1.00 0.00 C ATOM 946 C ARG A 63 21.214 -2.713 -17.349 1.00 0.00 C ATOM 947 O ARG A 63 21.565 -3.215 -16.280 1.00 0.00 O ATOM 948 CB ARG A 63 20.070 -4.247 -18.959 1.00 0.00 C ATOM 949 CG ARG A 63 18.777 -4.723 -19.603 1.00 0.00 C ATOM 950 CD ARG A 63 17.771 -5.181 -18.559 1.00 0.00 C ATOM 951 NE ARG A 63 17.367 -6.570 -18.760 1.00 0.00 N ATOM 952 CZ ARG A 63 18.072 -7.610 -18.329 1.00 0.00 C ATOM 953 NH1 ARG A 63 19.210 -7.418 -17.675 1.00 0.00 N ATOM 954 NH2 ARG A 63 17.639 -8.844 -18.550 1.00 0.00 N ATOM 0 H ARG A 63 18.878 -2.156 -19.579 1.00 0.00 H new ATOM 0 HA ARG A 63 19.191 -3.388 -17.197 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.766 -3.944 -19.742 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.530 -5.081 -18.429 1.00 0.00 H new ATOM 0 HG2 ARG A 63 18.346 -3.916 -20.196 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.991 -5.543 -20.288 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.204 -5.070 -17.565 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.891 -4.539 -18.597 1.00 0.00 H new ATOM 0 HE ARG A 63 16.496 -6.751 -19.259 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.545 -6.470 -17.502 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.750 -8.218 -17.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.764 -8.995 -19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.181 -9.642 -18.219 1.00 0.00 H new ATOM 968 N LYS A 64 21.956 -1.833 -18.012 1.00 0.00 N ATOM 969 CA LYS A 64 23.254 -1.394 -17.512 1.00 0.00 C ATOM 970 C LYS A 64 23.089 -0.460 -16.318 1.00 0.00 C ATOM 971 O LYS A 64 23.746 -0.627 -15.291 1.00 0.00 O ATOM 972 CB LYS A 64 24.039 -0.690 -18.620 1.00 0.00 C ATOM 973 CG LYS A 64 25.207 0.135 -18.108 1.00 0.00 C ATOM 974 CD LYS A 64 25.982 0.773 -19.248 1.00 0.00 C ATOM 975 CE LYS A 64 25.728 2.271 -19.326 1.00 0.00 C ATOM 976 NZ LYS A 64 26.445 3.011 -18.251 1.00 0.00 N ATOM 0 H LYS A 64 21.681 -1.409 -18.898 1.00 0.00 H new ATOM 0 HA LYS A 64 23.808 -2.275 -17.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 24.412 -1.437 -19.320 1.00 0.00 H new ATOM 0 HB3 LYS A 64 23.363 -0.041 -19.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 24.839 0.912 -17.438 1.00 0.00 H new ATOM 0 HG3 LYS A 64 25.874 -0.500 -17.524 1.00 0.00 H new ATOM 0 HD2 LYS A 64 27.048 0.590 -19.112 1.00 0.00 H new ATOM 0 HD3 LYS A 64 25.696 0.305 -20.190 1.00 0.00 H new ATOM 0 HE2 LYS A 64 26.048 2.644 -20.299 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.658 2.463 -19.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.247 4.028 -18.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.121 2.673 -17.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.468 2.849 -18.341 1.00 0.00 H new ATOM 990 N ASN A 65 22.206 0.524 -16.459 1.00 0.00 N ATOM 991 CA ASN A 65 21.955 1.485 -15.391 1.00 0.00 C ATOM 992 C ASN A 65 21.293 0.807 -14.195 1.00 0.00 C ATOM 993 O ASN A 65 21.773 0.910 -13.065 1.00 0.00 O ATOM 994 CB ASN A 65 21.070 2.624 -15.900 1.00 0.00 C ATOM 995 CG ASN A 65 21.872 3.725 -16.567 1.00 0.00 C ATOM 996 OD1 ASN A 65 21.901 4.862 -16.093 1.00 0.00 O ATOM 997 ND2 ASN A 65 22.529 3.393 -17.672 1.00 0.00 N ATOM 0 H ASN A 65 21.653 0.677 -17.302 1.00 0.00 H new ATOM 0 HA ASN A 65 22.913 1.894 -15.070 1.00 0.00 H new ATOM 0 HB2 ASN A 65 20.343 2.227 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN A 65 20.506 3.043 -15.066 1.00 0.00 H new ATOM 0 HD21 ASN A 65 23.086 4.092 -18.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.477 2.439 -18.029 1.00 0.00 H new ATOM 1004 N LEU A 66 20.188 0.115 -14.451 1.00 0.00 N ATOM 1005 CA LEU A 66 19.459 -0.580 -13.396 1.00 0.00 C ATOM 1006 C LEU A 66 20.335 -1.642 -12.739 1.00 0.00 C ATOM 1007 O LEU A 66 20.123 -2.007 -11.583 1.00 0.00 O ATOM 1008 CB LEU A 66 18.194 -1.225 -13.963 1.00 0.00 C ATOM 1009 CG LEU A 66 18.410 -2.334 -14.994 1.00 0.00 C ATOM 1010 CD1 LEU A 66 18.666 -3.664 -14.303 1.00 0.00 C ATOM 1011 CD2 LEU A 66 17.210 -2.437 -15.925 1.00 0.00 C ATOM 0 H LEU A 66 19.777 0.020 -15.380 1.00 0.00 H new ATOM 0 HA LEU A 66 19.178 0.152 -12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.616 -1.634 -13.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.586 -0.444 -14.421 1.00 0.00 H new ATOM 0 HG LEU A 66 19.288 -2.083 -15.590 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.817 -4.440 -15.053 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.556 -3.584 -13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.809 -3.922 -13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.381 -3.231 -16.652 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.317 -2.664 -15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.072 -1.490 -16.447 1.00 0.00 H new ATOM 1023 N ASN A 67 21.321 -2.133 -13.483 1.00 0.00 N ATOM 1024 CA ASN A 67 22.230 -3.152 -12.972 1.00 0.00 C ATOM 1025 C ASN A 67 22.758 -2.768 -11.593 1.00 0.00 C ATOM 1026 O ASN A 67 22.937 -3.623 -10.726 1.00 0.00 O ATOM 1027 CB ASN A 67 23.398 -3.354 -13.939 1.00 0.00 C ATOM 1028 CG ASN A 67 23.579 -4.808 -14.331 1.00 0.00 C ATOM 1029 OD1 ASN A 67 23.846 -5.662 -13.485 1.00 0.00 O ATOM 1030 ND2 ASN A 67 23.433 -5.096 -15.619 1.00 0.00 N ATOM 0 H ASN A 67 21.511 -1.841 -14.442 1.00 0.00 H new ATOM 0 HA ASN A 67 21.675 -4.086 -12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 67 23.231 -2.757 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 67 24.315 -2.988 -13.478 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.542 -6.057 -15.942 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.212 -4.356 -16.285 1.00 0.00 H new ATOM 1037 N GLU A 68 23.004 -1.476 -11.398 1.00 0.00 N ATOM 1038 CA GLU A 68 23.511 -0.979 -10.124 1.00 0.00 C ATOM 1039 C GLU A 68 22.429 -0.212 -9.370 1.00 0.00 C ATOM 1040 O GLU A 68 22.679 0.346 -8.301 1.00 0.00 O ATOM 1041 CB GLU A 68 24.726 -0.078 -10.351 1.00 0.00 C ATOM 1042 CG GLU A 68 24.488 1.020 -11.374 1.00 0.00 C ATOM 1043 CD GLU A 68 25.587 2.064 -11.377 1.00 0.00 C ATOM 1044 OE1 GLU A 68 26.752 1.698 -11.642 1.00 0.00 O ATOM 1045 OE2 GLU A 68 25.284 3.246 -11.113 1.00 0.00 O ATOM 0 H GLU A 68 22.861 -0.755 -12.105 1.00 0.00 H new ATOM 0 HA GLU A 68 23.811 -1.836 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.013 0.377 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 68 25.566 -0.691 -10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.411 0.576 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.533 1.504 -11.167 1.00 0.00 H new ATOM 1052 N SER A 69 21.225 -0.189 -9.934 1.00 0.00 N ATOM 1053 CA SER A 69 20.106 0.513 -9.317 1.00 0.00 C ATOM 1054 C SER A 69 18.997 -0.463 -8.935 1.00 0.00 C ATOM 1055 O SER A 69 17.837 -0.077 -8.790 1.00 0.00 O ATOM 1056 CB SER A 69 19.558 1.578 -10.269 1.00 0.00 C ATOM 1057 OG SER A 69 19.246 2.772 -9.573 1.00 0.00 O ATOM 0 H SER A 69 21.000 -0.648 -10.817 1.00 0.00 H new ATOM 0 HA SER A 69 20.468 0.998 -8.410 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.293 1.788 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.665 1.200 -10.767 1.00 0.00 H new ATOM 0 HG SER A 69 18.899 3.437 -10.204 1.00 0.00 H new ATOM 1063 N VAL A 70 19.363 -1.731 -8.775 1.00 0.00 N ATOM 1064 CA VAL A 70 18.401 -2.763 -8.409 1.00 0.00 C ATOM 1065 C VAL A 70 17.985 -2.634 -6.948 1.00 0.00 C ATOM 1066 O VAL A 70 18.192 -3.548 -6.151 1.00 0.00 O ATOM 1067 CB VAL A 70 18.973 -4.173 -8.645 1.00 0.00 C ATOM 1068 CG1 VAL A 70 17.893 -5.227 -8.458 1.00 0.00 C ATOM 1069 CG2 VAL A 70 19.590 -4.272 -10.032 1.00 0.00 C ATOM 0 H VAL A 70 20.319 -2.068 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 70 17.528 -2.621 -9.046 1.00 0.00 H new ATOM 0 HB VAL A 70 19.756 -4.355 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.317 -6.217 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.501 -5.171 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 70 17.085 -5.050 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 70 19.989 -5.275 -10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.828 -4.069 -10.785 1.00 0.00 H new ATOM 0 HG23 VAL A 70 20.395 -3.543 -10.125 1.00 0.00 H new ATOM 1079 N GLN A 71 17.396 -1.493 -6.604 1.00 0.00 N ATOM 1080 CA GLN A 71 16.951 -1.244 -5.238 1.00 0.00 C ATOM 1081 C GLN A 71 15.534 -1.766 -5.024 1.00 0.00 C ATOM 1082 O GLN A 71 15.296 -2.680 -4.234 1.00 0.00 O ATOM 1083 CB GLN A 71 17.009 0.252 -4.925 1.00 0.00 C ATOM 1084 CG GLN A 71 18.135 0.631 -3.976 1.00 0.00 C ATOM 1085 CD GLN A 71 19.410 1.009 -4.705 1.00 0.00 C ATOM 1086 OE1 GLN A 71 19.549 2.129 -5.196 1.00 0.00 O ATOM 1087 NE2 GLN A 71 20.349 0.073 -4.779 1.00 0.00 N ATOM 0 H GLN A 71 17.216 -0.727 -7.253 1.00 0.00 H new ATOM 0 HA GLN A 71 17.621 -1.775 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.128 0.805 -5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.059 0.561 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.815 1.467 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.338 -0.205 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 71 20.191 -0.842 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.228 0.269 -5.257 1.00 0.00 H new ATOM 1096 N PRO A 72 14.570 -1.173 -5.743 1.00 0.00 N ATOM 1097 CA PRO A 72 13.159 -1.562 -5.649 1.00 0.00 C ATOM 1098 C PRO A 72 12.896 -2.938 -6.250 1.00 0.00 C ATOM 1099 O PRO A 72 13.829 -3.677 -6.569 1.00 0.00 O ATOM 1100 CB PRO A 72 12.438 -0.479 -6.456 1.00 0.00 C ATOM 1101 CG PRO A 72 13.461 0.022 -7.416 1.00 0.00 C ATOM 1102 CD PRO A 72 14.782 -0.077 -6.703 1.00 0.00 C ATOM 0 HA PRO A 72 12.824 -1.635 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.571 -0.885 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.076 0.321 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.465 -0.574 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.251 1.051 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.596 -0.299 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.037 0.855 -6.199 1.00 0.00 H new ATOM 1110 N THR A 73 11.620 -3.278 -6.403 1.00 0.00 N ATOM 1111 CA THR A 73 11.235 -4.566 -6.965 1.00 0.00 C ATOM 1112 C THR A 73 10.765 -4.418 -8.408 1.00 0.00 C ATOM 1113 O THR A 73 9.607 -4.088 -8.664 1.00 0.00 O ATOM 1114 CB THR A 73 10.116 -5.228 -6.138 1.00 0.00 C ATOM 1115 OG1 THR A 73 10.210 -4.818 -4.770 1.00 0.00 O ATOM 1116 CG2 THR A 73 10.202 -6.744 -6.227 1.00 0.00 C ATOM 0 H THR A 73 10.836 -2.679 -6.145 1.00 0.00 H new ATOM 0 HA THR A 73 12.121 -5.200 -6.937 1.00 0.00 H new ATOM 0 HB THR A 73 9.156 -4.911 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.494 -5.242 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.402 -7.189 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.100 -7.054 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.166 -7.077 -5.842 1.00 0.00 H new ATOM 1124 N VAL A 74 11.672 -4.664 -9.348 1.00 0.00 N ATOM 1125 CA VAL A 74 11.350 -4.560 -10.766 1.00 0.00 C ATOM 1126 C VAL A 74 11.111 -5.936 -11.379 1.00 0.00 C ATOM 1127 O VAL A 74 11.961 -6.465 -12.095 1.00 0.00 O ATOM 1128 CB VAL A 74 12.473 -3.851 -11.546 1.00 0.00 C ATOM 1129 CG1 VAL A 74 12.080 -3.673 -13.005 1.00 0.00 C ATOM 1130 CG2 VAL A 74 12.801 -2.511 -10.907 1.00 0.00 C ATOM 0 H VAL A 74 12.635 -4.937 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 74 10.437 -3.969 -10.840 1.00 0.00 H new ATOM 0 HB VAL A 74 13.367 -4.474 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.886 -3.170 -13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.899 -4.649 -13.455 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.173 -3.072 -13.067 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.596 -2.024 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 74 11.913 -1.879 -10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.129 -2.668 -9.879 1.00 0.00 H new ATOM 1140 N VAL A 75 9.947 -6.511 -11.092 1.00 0.00 N ATOM 1141 CA VAL A 75 9.595 -7.826 -11.615 1.00 0.00 C ATOM 1142 C VAL A 75 9.630 -7.837 -13.139 1.00 0.00 C ATOM 1143 O VAL A 75 8.677 -7.419 -13.795 1.00 0.00 O ATOM 1144 CB VAL A 75 8.196 -8.262 -11.141 1.00 0.00 C ATOM 1145 CG1 VAL A 75 7.927 -9.707 -11.530 1.00 0.00 C ATOM 1146 CG2 VAL A 75 8.059 -8.071 -9.638 1.00 0.00 C ATOM 0 H VAL A 75 9.232 -6.087 -10.501 1.00 0.00 H new ATOM 0 HA VAL A 75 10.335 -8.529 -11.232 1.00 0.00 H new ATOM 0 HB VAL A 75 7.453 -7.634 -11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.934 -9.997 -11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.980 -9.808 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.674 -10.353 -11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.064 -8.384 -9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.810 -8.672 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.205 -7.020 -9.390 1.00 0.00 H new ATOM 1156 N ALA A 76 10.736 -8.321 -13.696 1.00 0.00 N ATOM 1157 CA ALA A 76 10.894 -8.390 -15.144 1.00 0.00 C ATOM 1158 C ALA A 76 10.410 -9.731 -15.686 1.00 0.00 C ATOM 1159 O ALA A 76 11.163 -10.705 -15.725 1.00 0.00 O ATOM 1160 CB ALA A 76 12.348 -8.158 -15.527 1.00 0.00 C ATOM 0 H ALA A 76 11.535 -8.671 -13.167 1.00 0.00 H new ATOM 0 HA ALA A 76 10.282 -7.606 -15.589 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.452 -8.212 -16.611 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.663 -7.173 -15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.973 -8.922 -15.064 1.00 0.00 H new ATOM 1166 N LEU A 77 9.149 -9.775 -16.102 1.00 0.00 N ATOM 1167 CA LEU A 77 8.564 -10.997 -16.641 1.00 0.00 C ATOM 1168 C LEU A 77 9.312 -11.455 -17.889 1.00 0.00 C ATOM 1169 O LEU A 77 9.888 -10.643 -18.612 1.00 0.00 O ATOM 1170 CB LEU A 77 7.086 -10.776 -16.970 1.00 0.00 C ATOM 1171 CG LEU A 77 6.249 -12.039 -17.178 1.00 0.00 C ATOM 1172 CD1 LEU A 77 5.860 -12.648 -15.839 1.00 0.00 C ATOM 1173 CD2 LEU A 77 5.010 -11.727 -18.004 1.00 0.00 C ATOM 0 H LEU A 77 8.512 -8.978 -16.076 1.00 0.00 H new ATOM 0 HA LEU A 77 8.649 -11.776 -15.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.638 -10.196 -16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.022 -10.169 -17.873 1.00 0.00 H new ATOM 0 HG LEU A 77 6.851 -12.766 -17.723 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.265 -13.546 -16.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.760 -12.908 -15.282 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.276 -11.927 -15.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.426 -12.637 -18.142 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.405 -10.983 -17.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.310 -11.337 -18.977 1.00 0.00 H new ATOM 1185 N GLY A 78 9.295 -12.761 -18.137 1.00 0.00 N ATOM 1186 CA GLY A 78 9.974 -13.303 -19.300 1.00 0.00 C ATOM 1187 C GLY A 78 11.164 -14.165 -18.928 1.00 0.00 C ATOM 1188 O GLY A 78 11.078 -14.998 -18.027 1.00 0.00 O ATOM 0 H GLY A 78 8.824 -13.453 -17.554 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.270 -13.894 -19.885 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.308 -12.484 -19.937 1.00 0.00 H new ATOM 1370 N LYS A 92 51.624 -5.598 -12.096 1.00 0.00 N ATOM 1371 CA LYS A 92 52.560 -6.369 -11.285 1.00 0.00 C ATOM 1372 C LYS A 92 53.842 -5.582 -11.037 1.00 0.00 C ATOM 1373 O LYS A 92 54.381 -5.590 -9.931 1.00 0.00 O ATOM 1374 CB LYS A 92 52.888 -7.696 -11.973 1.00 0.00 C ATOM 1375 CG LYS A 92 52.677 -8.910 -11.085 1.00 0.00 C ATOM 1376 CD LYS A 92 53.980 -9.649 -10.831 1.00 0.00 C ATOM 1377 CE LYS A 92 54.702 -9.101 -9.609 1.00 0.00 C ATOM 1378 NZ LYS A 92 55.493 -10.154 -8.914 1.00 0.00 N ATOM 0 HA LYS A 92 52.088 -6.572 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 92 52.269 -7.796 -12.864 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.926 -7.676 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 92 52.245 -8.596 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 92 51.961 -9.585 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.776 -10.710 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 92 54.625 -9.563 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 92 55.364 -8.290 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 92 53.974 -8.677 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 55.970 -9.741 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 54.858 -10.916 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 56.205 -10.541 -9.566 1.00 0.00 H new ATOM 1392 N GLN A 93 54.324 -4.902 -12.073 1.00 0.00 N ATOM 1393 CA GLN A 93 55.543 -4.110 -11.965 1.00 0.00 C ATOM 1394 C GLN A 93 55.433 -3.093 -10.834 1.00 0.00 C ATOM 1395 O GLN A 93 56.439 -2.673 -10.263 1.00 0.00 O ATOM 1396 CB GLN A 93 55.828 -3.392 -13.286 1.00 0.00 C ATOM 1397 CG GLN A 93 57.094 -2.551 -13.260 1.00 0.00 C ATOM 1398 CD GLN A 93 57.978 -2.791 -14.469 1.00 0.00 C ATOM 1399 OE1 GLN A 93 57.550 -2.615 -15.610 1.00 0.00 O ATOM 1400 NE2 GLN A 93 59.219 -3.196 -14.224 1.00 0.00 N ATOM 0 H GLN A 93 53.889 -4.884 -12.995 1.00 0.00 H new ATOM 0 HA GLN A 93 56.368 -4.787 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 93 55.910 -4.132 -14.082 1.00 0.00 H new ATOM 0 HB3 GLN A 93 54.981 -2.751 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 93 56.824 -1.496 -13.215 1.00 0.00 H new ATOM 0 HG3 GLN A 93 57.656 -2.775 -12.353 1.00 0.00 H new ATOM 0 HE21 GLN A 93 59.532 -3.329 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 93 59.859 -3.374 -14.998 1.00 0.00 H new ATOM 1409 N ALA A 94 54.204 -2.701 -10.515 1.00 0.00 N ATOM 1410 CA ALA A 94 53.962 -1.735 -9.450 1.00 0.00 C ATOM 1411 C ALA A 94 54.662 -2.152 -8.161 1.00 0.00 C ATOM 1412 O ALA A 94 55.060 -1.308 -7.358 1.00 0.00 O ATOM 1413 CB ALA A 94 52.468 -1.573 -9.213 1.00 0.00 C ATOM 0 H ALA A 94 53.360 -3.037 -10.979 1.00 0.00 H new ATOM 0 HA ALA A 94 54.375 -0.776 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 94 52.303 -0.849 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 94 51.991 -1.221 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 94 52.039 -2.533 -8.926 1.00 0.00 H new ATOM 1419 N VAL A 95 54.808 -3.459 -7.969 1.00 0.00 N ATOM 1420 CA VAL A 95 55.461 -3.988 -6.777 1.00 0.00 C ATOM 1421 C VAL A 95 56.871 -3.429 -6.629 1.00 0.00 C ATOM 1422 O VAL A 95 57.382 -3.291 -5.518 1.00 0.00 O ATOM 1423 CB VAL A 95 55.531 -5.526 -6.811 1.00 0.00 C ATOM 1424 CG1 VAL A 95 54.139 -6.121 -6.966 1.00 0.00 C ATOM 1425 CG2 VAL A 95 56.447 -5.992 -7.933 1.00 0.00 C ATOM 0 H VAL A 95 54.483 -4.171 -8.623 1.00 0.00 H new ATOM 0 HA VAL A 95 54.859 -3.678 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 95 55.946 -5.875 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 95 54.209 -7.209 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 95 53.517 -5.814 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 95 53.693 -5.767 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 95 56.485 -7.081 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 95 56.063 -5.634 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 95 57.450 -5.595 -7.773 1.00 0.00 H new ATOM 1435 N GLY A 96 57.497 -3.108 -7.757 1.00 0.00 N ATOM 1436 CA GLY A 96 58.843 -2.567 -7.731 1.00 0.00 C ATOM 1437 C GLY A 96 58.969 -1.370 -6.810 1.00 0.00 C ATOM 1438 O GLY A 96 60.017 -1.152 -6.202 1.00 0.00 O ATOM 0 H GLY A 96 57.096 -3.213 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 96 59.537 -3.343 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 96 59.134 -2.277 -8.741 1.00 0.00 H new ATOM 1442 N VAL A 97 57.898 -0.589 -6.706 1.00 0.00 N ATOM 1443 CA VAL A 97 57.893 0.593 -5.853 1.00 0.00 C ATOM 1444 C VAL A 97 58.075 0.214 -4.388 1.00 0.00 C ATOM 1445 O VAL A 97 58.626 0.983 -3.600 1.00 0.00 O ATOM 1446 CB VAL A 97 56.585 1.391 -6.007 1.00 0.00 C ATOM 1447 CG1 VAL A 97 56.590 2.606 -5.091 1.00 0.00 C ATOM 1448 CG2 VAL A 97 56.383 1.807 -7.456 1.00 0.00 C ATOM 0 H VAL A 97 57.022 -0.754 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 97 58.729 1.216 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 97 55.752 0.750 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 97 55.658 3.158 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 97 56.686 2.280 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 97 57.430 3.251 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 97 55.454 2.370 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 97 57.218 2.431 -7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 97 56.332 0.919 -8.086 1.00 0.00 H new ATOM 1458 N ASP A 98 57.608 -0.977 -4.028 1.00 0.00 N ATOM 1459 CA ASP A 98 57.719 -1.460 -2.657 1.00 0.00 C ATOM 1460 C ASP A 98 59.168 -1.793 -2.315 1.00 0.00 C ATOM 1461 O ASP A 98 59.539 -1.869 -1.142 1.00 0.00 O ATOM 1462 CB ASP A 98 56.838 -2.694 -2.455 1.00 0.00 C ATOM 1463 CG ASP A 98 55.703 -2.441 -1.482 1.00 0.00 C ATOM 1464 OD1 ASP A 98 54.723 -1.774 -1.874 1.00 0.00 O ATOM 1465 OD2 ASP A 98 55.795 -2.910 -0.328 1.00 0.00 O ATOM 0 H ASP A 98 57.149 -1.626 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 98 57.379 -0.668 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 98 56.427 -3.005 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 98 57.450 -3.518 -2.089 1.00 0.00 H new ATOM 1470 N LEU A 99 59.983 -1.992 -3.345 1.00 0.00 N ATOM 1471 CA LEU A 99 61.392 -2.318 -3.154 1.00 0.00 C ATOM 1472 C LEU A 99 62.161 -1.116 -2.615 1.00 0.00 C ATOM 1473 O LEU A 99 62.873 -1.219 -1.616 1.00 0.00 O ATOM 1474 CB LEU A 99 62.011 -2.785 -4.472 1.00 0.00 C ATOM 1475 CG LEU A 99 63.469 -3.243 -4.404 1.00 0.00 C ATOM 1476 CD1 LEU A 99 63.567 -4.618 -3.763 1.00 0.00 C ATOM 1477 CD2 LEU A 99 64.089 -3.255 -5.794 1.00 0.00 C ATOM 0 H LEU A 99 59.692 -1.933 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 99 61.457 -3.124 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 99 61.411 -3.607 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 99 61.940 -1.970 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 99 64.024 -2.537 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 99 64.611 -4.927 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 99 63.162 -4.578 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 99 62.998 -5.336 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 99 65.126 -3.583 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 99 63.533 -3.939 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 99 64.053 -2.251 -6.217 1.00 0.00 H new ATOM 1489 N TRP A 100 62.012 0.022 -3.282 1.00 0.00 N ATOM 1490 CA TRP A 100 62.691 1.245 -2.869 1.00 0.00 C ATOM 1491 C TRP A 100 62.074 1.805 -1.592 1.00 0.00 C ATOM 1492 O TRP A 100 62.746 2.478 -0.810 1.00 0.00 O ATOM 1493 CB TRP A 100 62.625 2.291 -3.983 1.00 0.00 C ATOM 1494 CG TRP A 100 61.479 3.246 -3.835 1.00 0.00 C ATOM 1495 CD1 TRP A 100 60.261 3.166 -4.448 1.00 0.00 C ATOM 1496 CD2 TRP A 100 61.445 4.424 -3.022 1.00 0.00 C ATOM 1497 NE1 TRP A 100 59.472 4.224 -4.066 1.00 0.00 N ATOM 1498 CE2 TRP A 100 60.175 5.009 -3.190 1.00 0.00 C ATOM 1499 CE3 TRP A 100 62.362 5.039 -2.166 1.00 0.00 C ATOM 1500 CZ2 TRP A 100 59.803 6.181 -2.536 1.00 0.00 C ATOM 1501 CZ3 TRP A 100 61.991 6.202 -1.517 1.00 0.00 C ATOM 1502 CH2 TRP A 100 60.721 6.762 -1.704 1.00 0.00 C ATOM 0 H TRP A 100 61.427 0.124 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 100 63.735 1.002 -2.670 1.00 0.00 H new ATOM 0 HB2 TRP A 100 63.558 2.854 -3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 100 62.543 1.783 -4.944 1.00 0.00 H new ATOM 0 HD1 TRP A 100 59.962 2.386 -5.132 1.00 0.00 H new ATOM 0 HE1 TRP A 100 58.518 4.397 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 100 63.343 4.614 -2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 58.825 6.616 -2.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 62.693 6.687 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 100 60.461 7.671 -1.181 1.00 0.00 H new ATOM 1513 N LYS A 101 60.792 1.524 -1.386 1.00 0.00 N ATOM 1514 CA LYS A 101 60.085 1.998 -0.202 1.00 0.00 C ATOM 1515 C LYS A 101 60.722 1.446 1.069 1.00 0.00 C ATOM 1516 O LYS A 101 61.394 0.415 1.042 1.00 0.00 O ATOM 1517 CB LYS A 101 58.612 1.589 -0.266 1.00 0.00 C ATOM 1518 CG LYS A 101 57.696 2.487 0.548 1.00 0.00 C ATOM 1519 CD LYS A 101 56.253 2.381 0.083 1.00 0.00 C ATOM 1520 CE LYS A 101 55.331 1.966 1.219 1.00 0.00 C ATOM 1521 NZ LYS A 101 54.707 3.143 1.885 1.00 0.00 N ATOM 0 H LYS A 101 60.221 0.970 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 101 60.154 3.086 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 101 58.286 1.598 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 101 58.512 0.564 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 101 57.761 2.215 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 101 58.031 3.521 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 101 55.928 3.340 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 101 56.183 1.655 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 101 54.550 1.311 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 101 55.895 1.390 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 54.086 2.818 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 55.451 3.755 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 54.148 3.679 1.191 1.00 0.00 H new