USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 60 SER OG : rot 180:sc= 0.0842 USER MOD Set 1.2: A 63 THR OG1 : rot 101:sc= 0.00848 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 144:sc= 0.0968 (180deg=0) USER MOD Set 2.2: A 66 ASN : amide:sc= -1.77 K(o=-1.7,f=-8.9!) USER MOD Set 3.1: A 11 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.368) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0681 X(o=-0.068,f=-0.068) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 120:sc= 0 USER MOD Single : A 7 THR OG1 : rot 115:sc= 0.439 USER MOD Single : A 9 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 77:sc= -3.26! USER MOD Single : A 41 ASN : amide:sc= 0.146 X(o=0.15,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.0061) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.674 F(o=-3.7!,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -4.896 5.466 -15.590 1.00 0.00 N ATOM 32 CA GLN A 3 -5.453 4.347 -14.770 1.00 0.00 C ATOM 33 C GLN A 3 -5.863 4.856 -13.380 1.00 0.00 C ATOM 34 O GLN A 3 -5.108 4.748 -12.432 1.00 0.00 O ATOM 35 CB GLN A 3 -4.313 3.332 -14.654 1.00 0.00 C ATOM 36 CG GLN A 3 -4.536 2.187 -15.647 1.00 0.00 C ATOM 37 CD GLN A 3 -4.450 2.726 -17.080 1.00 0.00 C ATOM 38 OE1 GLN A 3 -3.371 2.868 -17.619 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.547 3.035 -17.729 1.00 0.00 N ATOM 0 HA GLN A 3 -6.343 3.911 -15.223 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.358 3.819 -14.854 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.264 2.940 -13.638 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.788 1.409 -15.495 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.511 1.730 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.455 2.917 -17.280 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.492 3.393 -18.683 1.00 0.00 H new ATOM 48 N GLU A 4 -7.056 5.404 -13.244 1.00 0.00 N ATOM 49 CA GLU A 4 -7.497 5.905 -11.898 1.00 0.00 C ATOM 50 C GLU A 4 -8.323 4.829 -11.181 1.00 0.00 C ATOM 51 O GLU A 4 -8.176 4.628 -9.990 1.00 0.00 O ATOM 52 CB GLU A 4 -8.348 7.154 -12.163 1.00 0.00 C ATOM 53 CG GLU A 4 -8.526 7.938 -10.861 1.00 0.00 C ATOM 54 CD GLU A 4 -9.853 8.695 -10.898 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.186 9.219 -11.948 1.00 0.00 O ATOM 56 OE2 GLU A 4 -10.516 8.739 -9.873 1.00 0.00 O ATOM 0 H GLU A 4 -7.733 5.524 -13.997 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.646 6.140 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.868 7.781 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.321 6.866 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.507 7.258 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.700 8.637 -10.729 1.00 0.00 H new ATOM 63 N GLN A 5 -9.186 4.121 -11.889 1.00 0.00 N ATOM 64 CA GLN A 5 -10.001 3.044 -11.211 1.00 0.00 C ATOM 65 C GLN A 5 -9.063 2.062 -10.486 1.00 0.00 C ATOM 66 O GLN A 5 -9.354 1.618 -9.391 1.00 0.00 O ATOM 67 CB GLN A 5 -10.821 2.327 -12.307 1.00 0.00 C ATOM 68 CG GLN A 5 -9.890 1.616 -13.298 1.00 0.00 C ATOM 69 CD GLN A 5 -10.688 1.204 -14.542 1.00 0.00 C ATOM 70 OE1 GLN A 5 -10.593 1.842 -15.572 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.477 0.158 -14.496 1.00 0.00 N ATOM 0 H GLN A 5 -9.360 4.238 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.673 3.467 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.495 1.603 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.441 3.050 -12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.070 2.276 -13.581 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.446 0.738 -12.830 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.560 -0.381 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.008 -0.117 -15.322 1.00 0.00 H new ATOM 80 N TYR A 6 -7.919 1.758 -11.066 1.00 0.00 N ATOM 81 CA TYR A 6 -6.952 0.846 -10.366 1.00 0.00 C ATOM 82 C TYR A 6 -6.272 1.626 -9.230 1.00 0.00 C ATOM 83 O TYR A 6 -5.983 1.077 -8.186 1.00 0.00 O ATOM 84 CB TYR A 6 -5.910 0.408 -11.410 1.00 0.00 C ATOM 85 CG TYR A 6 -6.527 -0.593 -12.356 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.200 -0.151 -13.501 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.420 -1.963 -12.091 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.769 -1.080 -14.380 1.00 0.00 C ATOM 89 CE2 TYR A 6 -6.989 -2.892 -12.970 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.663 -2.451 -14.115 1.00 0.00 C ATOM 91 OH TYR A 6 -8.223 -3.367 -14.982 1.00 0.00 O ATOM 0 H TYR A 6 -7.618 2.097 -11.980 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.451 -0.025 -9.941 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.551 1.275 -11.965 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.046 -0.032 -10.913 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.280 0.906 -13.706 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.899 -2.303 -11.209 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.290 -0.739 -15.263 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.908 -3.949 -12.765 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.523 -3.956 -15.333 1.00 0.00 H new ATOM 101 N THR A 7 -6.022 2.909 -9.423 1.00 0.00 N ATOM 102 CA THR A 7 -5.369 3.719 -8.336 1.00 0.00 C ATOM 103 C THR A 7 -6.325 3.853 -7.142 1.00 0.00 C ATOM 104 O THR A 7 -5.906 3.765 -6.002 1.00 0.00 O ATOM 105 CB THR A 7 -5.072 5.102 -8.950 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.174 4.947 -10.040 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.449 6.037 -7.909 1.00 0.00 C ATOM 0 H THR A 7 -6.240 3.423 -10.277 1.00 0.00 H new ATOM 0 HA THR A 7 -4.456 3.248 -7.973 1.00 0.00 H new ATOM 0 HB THR A 7 -6.009 5.540 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.624 5.200 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.248 7.007 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.139 6.164 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.516 5.607 -7.546 1.00 0.00 H new ATOM 115 N GLU A 8 -7.603 4.059 -7.386 1.00 0.00 N ATOM 116 CA GLU A 8 -8.562 4.188 -6.231 1.00 0.00 C ATOM 117 C GLU A 8 -8.726 2.827 -5.548 1.00 0.00 C ATOM 118 O GLU A 8 -8.747 2.741 -4.333 1.00 0.00 O ATOM 119 CB GLU A 8 -9.901 4.669 -6.809 1.00 0.00 C ATOM 120 CG GLU A 8 -10.883 4.939 -5.667 1.00 0.00 C ATOM 121 CD GLU A 8 -12.296 5.090 -6.232 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.924 4.075 -6.484 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.726 6.218 -6.406 1.00 0.00 O ATOM 0 H GLU A 8 -8.018 4.142 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.196 4.895 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.751 5.575 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.309 3.916 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.854 4.121 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.595 5.844 -5.133 1.00 0.00 H new ATOM 130 N ASN A 9 -8.817 1.759 -6.310 1.00 0.00 N ATOM 131 CA ASN A 9 -8.948 0.405 -5.670 1.00 0.00 C ATOM 132 C ASN A 9 -7.588 -0.012 -5.098 1.00 0.00 C ATOM 133 O ASN A 9 -7.514 -0.586 -4.027 1.00 0.00 O ATOM 134 CB ASN A 9 -9.396 -0.570 -6.770 1.00 0.00 C ATOM 135 CG ASN A 9 -10.821 -0.216 -7.218 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.051 0.858 -7.737 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.794 -1.075 -7.040 1.00 0.00 N ATOM 0 H ASN A 9 -8.807 1.763 -7.330 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.672 0.411 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.713 -0.517 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.364 -1.594 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.741 -0.841 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.604 -1.978 -6.605 1.00 0.00 H new ATOM 144 N LEU A 10 -6.506 0.289 -5.790 1.00 0.00 N ATOM 145 CA LEU A 10 -5.154 -0.080 -5.249 1.00 0.00 C ATOM 146 C LEU A 10 -4.864 0.751 -3.993 1.00 0.00 C ATOM 147 O LEU A 10 -4.297 0.252 -3.039 1.00 0.00 O ATOM 148 CB LEU A 10 -4.128 0.236 -6.349 1.00 0.00 C ATOM 149 CG LEU A 10 -2.734 -0.188 -5.886 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.691 -1.708 -5.716 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.701 0.237 -6.931 1.00 0.00 C ATOM 0 H LEU A 10 -6.501 0.766 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.108 -1.134 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.392 -0.287 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.139 1.302 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.507 0.289 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.697 -2.009 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.428 -2.012 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.918 -2.187 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.706 -0.064 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.929 -0.241 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.730 1.320 -7.052 1.00 0.00 H new ATOM 163 N LYS A 11 -5.255 2.013 -3.973 1.00 0.00 N ATOM 164 CA LYS A 11 -4.993 2.851 -2.748 1.00 0.00 C ATOM 165 C LYS A 11 -5.649 2.212 -1.513 1.00 0.00 C ATOM 166 O LYS A 11 -5.119 2.296 -0.421 1.00 0.00 O ATOM 167 CB LYS A 11 -5.601 4.238 -3.016 1.00 0.00 C ATOM 168 CG LYS A 11 -5.211 5.198 -1.888 1.00 0.00 C ATOM 169 CD LYS A 11 -6.349 5.284 -0.868 1.00 0.00 C ATOM 170 CE LYS A 11 -5.818 5.862 0.444 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.940 5.714 1.411 1.00 0.00 N ATOM 0 H LYS A 11 -5.735 2.490 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.924 2.926 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.247 4.622 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.686 4.163 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.299 4.852 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.999 6.187 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.152 5.912 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.773 4.295 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.932 5.325 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.532 6.907 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.996 6.562 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.833 5.597 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.775 4.879 2.009 1.00 0.00 H new ATOM 185 N VAL A 12 -6.788 1.563 -1.670 1.00 0.00 N ATOM 186 CA VAL A 12 -7.436 0.916 -0.477 1.00 0.00 C ATOM 187 C VAL A 12 -6.663 -0.357 -0.116 1.00 0.00 C ATOM 188 O VAL A 12 -6.380 -0.608 1.042 1.00 0.00 O ATOM 189 CB VAL A 12 -8.880 0.577 -0.889 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.592 -0.142 0.260 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.629 1.868 -1.222 1.00 0.00 C ATOM 0 H VAL A 12 -7.286 1.456 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.433 1.571 0.394 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.862 -0.073 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.614 -0.380 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.060 -1.063 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.610 0.504 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.652 1.630 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.643 2.517 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.127 2.379 -2.044 1.00 0.00 H new ATOM 201 N ILE A 13 -6.307 -1.155 -1.097 1.00 0.00 N ATOM 202 CA ILE A 13 -5.532 -2.407 -0.789 1.00 0.00 C ATOM 203 C ILE A 13 -4.139 -2.034 -0.255 1.00 0.00 C ATOM 204 O ILE A 13 -3.617 -2.698 0.622 1.00 0.00 O ATOM 205 CB ILE A 13 -5.429 -3.199 -2.107 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.845 -3.560 -2.591 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.625 -4.483 -1.877 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.957 -3.333 -4.102 1.00 0.00 C ATOM 0 H ILE A 13 -6.514 -1.000 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.023 -3.009 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.926 -2.591 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.065 -4.601 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.583 -2.952 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.554 -5.040 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.624 -4.228 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.124 -5.095 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.962 -3.591 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.757 -2.286 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.231 -3.961 -4.619 1.00 0.00 H new ATOM 220 N VAL A 14 -3.537 -0.969 -0.754 1.00 0.00 N ATOM 221 CA VAL A 14 -2.182 -0.573 -0.229 1.00 0.00 C ATOM 222 C VAL A 14 -2.314 -0.170 1.249 1.00 0.00 C ATOM 223 O VAL A 14 -1.487 -0.530 2.067 1.00 0.00 O ATOM 224 CB VAL A 14 -1.708 0.622 -1.075 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.335 1.095 -0.584 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.605 0.197 -2.544 1.00 0.00 C ATOM 0 H VAL A 14 -3.917 -0.369 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.466 -1.392 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.425 1.438 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.005 1.941 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.407 1.399 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.384 0.281 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.269 1.042 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.890 -0.621 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.582 -0.133 -2.897 1.00 0.00 H new ATOM 236 N ALA A 15 -3.355 0.562 1.603 1.00 0.00 N ATOM 237 CA ALA A 15 -3.524 0.961 3.048 1.00 0.00 C ATOM 238 C ALA A 15 -3.664 -0.293 3.930 1.00 0.00 C ATOM 239 O ALA A 15 -3.204 -0.310 5.056 1.00 0.00 O ATOM 240 CB ALA A 15 -4.804 1.808 3.128 1.00 0.00 C ATOM 0 H ALA A 15 -4.081 0.895 0.968 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.660 1.523 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.969 2.121 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.698 2.688 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.654 1.216 2.788 1.00 0.00 H new ATOM 246 N GLU A 16 -4.293 -1.347 3.434 1.00 0.00 N ATOM 247 CA GLU A 16 -4.446 -2.594 4.272 1.00 0.00 C ATOM 248 C GLU A 16 -3.074 -3.082 4.766 1.00 0.00 C ATOM 249 O GLU A 16 -2.950 -3.555 5.881 1.00 0.00 O ATOM 250 CB GLU A 16 -5.082 -3.659 3.365 1.00 0.00 C ATOM 251 CG GLU A 16 -5.470 -4.879 4.202 1.00 0.00 C ATOM 252 CD GLU A 16 -5.384 -6.140 3.341 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.320 -6.737 3.304 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.383 -6.488 2.733 1.00 0.00 O ATOM 0 H GLU A 16 -4.701 -1.397 2.500 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.063 -2.397 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.963 -3.250 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.382 -3.950 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.807 -4.968 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.482 -4.760 4.590 1.00 0.00 H new ATOM 261 N LYS A 17 -2.040 -2.966 3.954 1.00 0.00 N ATOM 262 CA LYS A 17 -0.683 -3.426 4.413 1.00 0.00 C ATOM 263 C LYS A 17 -0.014 -2.314 5.234 1.00 0.00 C ATOM 264 O LYS A 17 0.515 -2.565 6.300 1.00 0.00 O ATOM 265 CB LYS A 17 0.134 -3.730 3.143 1.00 0.00 C ATOM 266 CG LYS A 17 0.815 -5.096 3.283 1.00 0.00 C ATOM 267 CD LYS A 17 1.827 -5.054 4.433 1.00 0.00 C ATOM 268 CE LYS A 17 1.759 -6.363 5.226 1.00 0.00 C ATOM 269 NZ LYS A 17 2.947 -6.330 6.125 1.00 0.00 N ATOM 0 H LYS A 17 -2.076 -2.580 3.011 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.751 -4.311 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.518 -3.725 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.883 -2.954 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.068 -5.868 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.318 -5.359 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.833 -4.907 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.614 -4.209 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.833 -6.431 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.789 -7.228 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.704 -6.766 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.729 -6.857 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.238 -5.344 6.280 1.00 0.00 H new ATOM 283 N LEU A 18 -0.042 -1.084 4.756 1.00 0.00 N ATOM 284 CA LEU A 18 0.592 0.033 5.546 1.00 0.00 C ATOM 285 C LEU A 18 -0.121 0.169 6.896 1.00 0.00 C ATOM 286 O LEU A 18 0.513 0.228 7.933 1.00 0.00 O ATOM 287 CB LEU A 18 0.413 1.314 4.721 1.00 0.00 C ATOM 288 CG LEU A 18 1.258 1.220 3.457 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.636 2.092 2.365 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.676 1.707 3.764 1.00 0.00 C ATOM 0 H LEU A 18 -0.467 -0.808 3.871 1.00 0.00 H new ATOM 0 HA LEU A 18 1.648 -0.160 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.637 1.449 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.711 2.183 5.308 1.00 0.00 H new ATOM 0 HG LEU A 18 1.296 0.186 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.239 2.026 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.375 1.744 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.600 3.128 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.286 1.642 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.640 2.742 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.114 1.084 4.544 1.00 0.00 H new ATOM 302 N ALA A 19 -1.440 0.193 6.896 1.00 0.00 N ATOM 303 CA ALA A 19 -2.180 0.297 8.203 1.00 0.00 C ATOM 304 C ALA A 19 -1.966 -0.984 9.035 1.00 0.00 C ATOM 305 O ALA A 19 -2.066 -0.954 10.248 1.00 0.00 O ATOM 306 CB ALA A 19 -3.670 0.463 7.860 1.00 0.00 C ATOM 0 H ALA A 19 -2.027 0.146 6.063 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.819 1.141 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.249 0.543 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.808 1.366 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.011 -0.402 7.291 1.00 0.00 H new ATOM 312 N GLY A 20 -1.674 -2.112 8.404 1.00 0.00 N ATOM 313 CA GLY A 20 -1.463 -3.372 9.178 1.00 0.00 C ATOM 314 C GLY A 20 -0.051 -3.400 9.790 1.00 0.00 C ATOM 315 O GLY A 20 0.140 -3.945 10.862 1.00 0.00 O ATOM 0 H GLY A 20 -1.576 -2.203 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.210 -3.449 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.600 -4.234 8.525 1.00 0.00 H new ATOM 319 N ILE A 21 0.946 -2.829 9.133 1.00 0.00 N ATOM 320 CA ILE A 21 2.338 -2.856 9.724 1.00 0.00 C ATOM 321 C ILE A 21 2.318 -2.228 11.135 1.00 0.00 C ATOM 322 O ILE A 21 1.879 -1.107 11.292 1.00 0.00 O ATOM 323 CB ILE A 21 3.242 -2.030 8.781 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.334 -2.723 7.417 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.653 -1.914 9.370 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.525 -1.673 6.319 1.00 0.00 C ATOM 0 H ILE A 21 0.861 -2.356 8.234 1.00 0.00 H new ATOM 0 HA ILE A 21 2.709 -3.877 9.817 1.00 0.00 H new ATOM 0 HB ILE A 21 2.810 -1.036 8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.167 -3.426 7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.428 -3.300 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.281 -1.330 8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.603 -1.420 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.079 -2.910 9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.590 -2.168 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.678 -0.987 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.443 -1.116 6.504 1.00 0.00 H new ATOM 338 N PRO A 22 2.792 -2.963 12.123 1.00 0.00 N ATOM 339 CA PRO A 22 2.806 -2.429 13.507 1.00 0.00 C ATOM 340 C PRO A 22 3.897 -1.355 13.654 1.00 0.00 C ATOM 341 O PRO A 22 4.971 -1.482 13.101 1.00 0.00 O ATOM 342 CB PRO A 22 3.127 -3.648 14.365 1.00 0.00 C ATOM 343 CG PRO A 22 3.854 -4.584 13.455 1.00 0.00 C ATOM 344 CD PRO A 22 3.348 -4.327 12.061 1.00 0.00 C ATOM 0 HA PRO A 22 1.867 -1.953 13.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.742 -3.375 15.223 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.218 -4.105 14.756 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.930 -4.418 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.676 -5.620 13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.151 -4.397 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.589 -5.054 11.773 1.00 0.00 H new ATOM 415 N ASP A 27 3.473 9.033 7.478 1.00 0.00 N ATOM 416 CA ASP A 27 1.974 8.912 7.402 1.00 0.00 C ATOM 417 C ASP A 27 1.592 7.574 6.751 1.00 0.00 C ATOM 418 O ASP A 27 2.364 7.004 6.005 1.00 0.00 O ATOM 419 CB ASP A 27 1.480 10.085 6.543 1.00 0.00 C ATOM 420 CG ASP A 27 1.700 11.399 7.296 1.00 0.00 C ATOM 421 OD1 ASP A 27 1.308 11.469 8.449 1.00 0.00 O ATOM 422 OD2 ASP A 27 2.255 12.310 6.707 1.00 0.00 O ATOM 0 HA ASP A 27 1.522 8.940 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.015 10.104 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.422 9.959 6.311 1.00 0.00 H new ATOM 427 N ILE A 28 0.410 7.061 7.029 1.00 0.00 N ATOM 428 CA ILE A 28 0.002 5.752 6.418 1.00 0.00 C ATOM 429 C ILE A 28 -0.941 5.981 5.217 1.00 0.00 C ATOM 430 O ILE A 28 -0.843 5.293 4.220 1.00 0.00 O ATOM 431 CB ILE A 28 -0.664 4.953 7.566 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.750 3.459 7.201 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.064 5.493 7.887 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.676 3.234 5.997 1.00 0.00 C ATOM 0 H ILE A 28 -0.281 7.488 7.646 1.00 0.00 H new ATOM 0 HA ILE A 28 0.847 5.197 6.011 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.043 5.071 8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.246 3.080 6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.118 2.893 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.502 4.910 8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.990 6.537 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.695 5.416 7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.717 2.170 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.678 3.591 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.292 3.781 5.136 1.00 0.00 H new ATOM 446 N LYS A 29 -1.833 6.943 5.288 1.00 0.00 N ATOM 447 CA LYS A 29 -2.742 7.192 4.115 1.00 0.00 C ATOM 448 C LYS A 29 -1.977 7.969 3.035 1.00 0.00 C ATOM 449 O LYS A 29 -2.141 7.716 1.856 1.00 0.00 O ATOM 450 CB LYS A 29 -3.930 8.015 4.637 1.00 0.00 C ATOM 451 CG LYS A 29 -4.785 7.149 5.564 1.00 0.00 C ATOM 452 CD LYS A 29 -5.930 6.521 4.766 1.00 0.00 C ATOM 453 CE LYS A 29 -7.132 6.298 5.686 1.00 0.00 C ATOM 454 NZ LYS A 29 -8.301 6.187 4.771 1.00 0.00 N ATOM 0 H LYS A 29 -1.972 7.557 6.090 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.093 6.259 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.570 8.893 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.531 8.375 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.173 6.369 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.184 7.754 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.209 7.171 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.609 5.573 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.010 5.394 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.254 7.126 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.165 6.033 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.396 7.065 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.160 5.386 4.123 1.00 0.00 H new ATOM 468 N TYR A 30 -1.127 8.903 3.422 1.00 0.00 N ATOM 469 CA TYR A 30 -0.347 9.667 2.389 1.00 0.00 C ATOM 470 C TYR A 30 0.750 8.778 1.776 1.00 0.00 C ATOM 471 O TYR A 30 1.127 8.973 0.634 1.00 0.00 O ATOM 472 CB TYR A 30 0.282 10.872 3.106 1.00 0.00 C ATOM 473 CG TYR A 30 0.924 11.785 2.089 1.00 0.00 C ATOM 474 CD1 TYR A 30 0.154 12.338 1.059 1.00 0.00 C ATOM 475 CD2 TYR A 30 2.290 12.078 2.177 1.00 0.00 C ATOM 476 CE1 TYR A 30 0.750 13.184 0.116 1.00 0.00 C ATOM 477 CE2 TYR A 30 2.886 12.924 1.235 1.00 0.00 C ATOM 478 CZ TYR A 30 2.116 13.477 0.204 1.00 0.00 C ATOM 479 OH TYR A 30 2.704 14.310 -0.726 1.00 0.00 O ATOM 0 H TYR A 30 -0.944 9.164 4.391 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.996 9.992 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.480 11.413 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.026 10.532 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.900 12.112 0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.884 11.651 2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.156 13.610 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.940 13.151 1.303 1.00 0.00 H new ATOM 0 HH TYR A 30 3.657 14.410 -0.520 1.00 0.00 H new ATOM 489 N VAL A 31 1.267 7.802 2.504 1.00 0.00 N ATOM 490 CA VAL A 31 2.334 6.927 1.903 1.00 0.00 C ATOM 491 C VAL A 31 1.718 5.951 0.874 1.00 0.00 C ATOM 492 O VAL A 31 2.372 5.576 -0.081 1.00 0.00 O ATOM 493 CB VAL A 31 3.037 6.194 3.080 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.239 4.965 3.543 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.443 5.756 2.642 1.00 0.00 C ATOM 0 H VAL A 31 1.003 7.580 3.464 1.00 0.00 H new ATOM 0 HA VAL A 31 3.070 7.513 1.352 1.00 0.00 H new ATOM 0 HB VAL A 31 3.101 6.888 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.763 4.480 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.250 5.278 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.138 4.264 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.937 5.242 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.365 5.082 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.026 6.633 2.360 1.00 0.00 H new ATOM 505 N ALA A 32 0.467 5.553 1.038 1.00 0.00 N ATOM 506 CA ALA A 32 -0.150 4.621 0.028 1.00 0.00 C ATOM 507 C ALA A 32 -0.376 5.372 -1.294 1.00 0.00 C ATOM 508 O ALA A 32 -0.206 4.811 -2.360 1.00 0.00 O ATOM 509 CB ALA A 32 -1.491 4.152 0.612 1.00 0.00 C ATOM 0 H ALA A 32 -0.140 5.827 1.811 1.00 0.00 H new ATOM 0 HA ALA A 32 0.499 3.769 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.975 3.472 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.316 3.636 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.135 5.015 0.784 1.00 0.00 H new ATOM 515 N GLU A 33 -0.749 6.639 -1.242 1.00 0.00 N ATOM 516 CA GLU A 33 -0.968 7.404 -2.525 1.00 0.00 C ATOM 517 C GLU A 33 0.332 7.417 -3.339 1.00 0.00 C ATOM 518 O GLU A 33 0.324 7.147 -4.527 1.00 0.00 O ATOM 519 CB GLU A 33 -1.366 8.836 -2.134 1.00 0.00 C ATOM 520 CG GLU A 33 -2.818 8.847 -1.650 1.00 0.00 C ATOM 521 CD GLU A 33 -3.467 10.183 -2.017 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.967 11.204 -1.575 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.455 10.162 -2.733 1.00 0.00 O ATOM 0 H GLU A 33 -0.909 7.168 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.746 6.944 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.707 9.207 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.251 9.503 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.371 8.025 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.854 8.697 -0.571 1.00 0.00 H new ATOM 530 N TYR A 34 1.452 7.701 -2.709 1.00 0.00 N ATOM 531 CA TYR A 34 2.752 7.693 -3.470 1.00 0.00 C ATOM 532 C TYR A 34 3.027 6.266 -3.966 1.00 0.00 C ATOM 533 O TYR A 34 3.484 6.068 -5.075 1.00 0.00 O ATOM 534 CB TYR A 34 3.847 8.155 -2.487 1.00 0.00 C ATOM 535 CG TYR A 34 5.235 8.093 -3.117 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.416 8.173 -4.512 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.352 7.970 -2.282 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.707 8.125 -5.055 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.639 7.927 -2.827 1.00 0.00 C ATOM 540 CZ TYR A 34 7.817 8.005 -4.212 1.00 0.00 C ATOM 541 OH TYR A 34 9.089 7.965 -4.746 1.00 0.00 O ATOM 0 H TYR A 34 1.525 7.934 -1.719 1.00 0.00 H new ATOM 0 HA TYR A 34 2.724 8.353 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.639 9.175 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.824 7.528 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.560 8.271 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.219 7.908 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.845 8.181 -6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.497 7.833 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 34 9.363 8.869 -5.006 1.00 0.00 H new ATOM 551 N ILE A 35 2.730 5.264 -3.159 1.00 0.00 N ATOM 552 CA ILE A 35 2.957 3.845 -3.611 1.00 0.00 C ATOM 553 C ILE A 35 2.107 3.582 -4.866 1.00 0.00 C ATOM 554 O ILE A 35 2.608 3.096 -5.863 1.00 0.00 O ATOM 555 CB ILE A 35 2.525 2.945 -2.431 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.516 3.132 -1.281 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.512 1.473 -2.847 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.901 2.611 0.017 1.00 0.00 C ATOM 0 H ILE A 35 2.345 5.366 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 35 3.996 3.645 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 35 1.519 3.227 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.442 2.599 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.772 4.186 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.205 0.858 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.811 1.334 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.511 1.177 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.609 2.745 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.987 3.164 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.668 1.552 -0.090 1.00 0.00 H new ATOM 570 N VAL A 36 0.837 3.928 -4.836 1.00 0.00 N ATOM 571 CA VAL A 36 -0.016 3.719 -6.062 1.00 0.00 C ATOM 572 C VAL A 36 0.537 4.583 -7.206 1.00 0.00 C ATOM 573 O VAL A 36 0.595 4.147 -8.340 1.00 0.00 O ATOM 574 CB VAL A 36 -1.446 4.153 -5.699 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.363 3.969 -6.912 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.958 3.289 -4.544 1.00 0.00 C ATOM 0 H VAL A 36 0.359 4.338 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.011 2.678 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.442 5.202 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.376 4.277 -6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.999 4.578 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.368 2.920 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.972 3.593 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.960 2.242 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.307 3.416 -3.679 1.00 0.00 H new ATOM 586 N LEU A 37 0.962 5.802 -6.918 1.00 0.00 N ATOM 587 CA LEU A 37 1.533 6.673 -8.012 1.00 0.00 C ATOM 588 C LEU A 37 2.706 5.936 -8.675 1.00 0.00 C ATOM 589 O LEU A 37 2.815 5.903 -9.887 1.00 0.00 O ATOM 590 CB LEU A 37 2.030 7.966 -7.345 1.00 0.00 C ATOM 591 CG LEU A 37 1.947 9.121 -8.344 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.572 9.783 -8.247 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.033 10.151 -8.021 1.00 0.00 C ATOM 0 H LEU A 37 0.939 6.225 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 37 0.788 6.899 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.427 8.189 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.057 7.840 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 37 2.095 8.739 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.513 10.606 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.202 9.050 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.423 10.166 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.976 10.975 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.884 10.532 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.013 9.680 -8.090 1.00 0.00 H new ATOM 605 N LEU A 38 3.564 5.311 -7.890 1.00 0.00 N ATOM 606 CA LEU A 38 4.701 4.543 -8.505 1.00 0.00 C ATOM 607 C LEU A 38 4.119 3.348 -9.278 1.00 0.00 C ATOM 608 O LEU A 38 4.550 3.038 -10.372 1.00 0.00 O ATOM 609 CB LEU A 38 5.589 4.051 -7.350 1.00 0.00 C ATOM 610 CG LEU A 38 6.197 5.249 -6.622 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.635 4.828 -5.217 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.411 5.757 -7.404 1.00 0.00 C ATOM 0 H LEU A 38 3.527 5.300 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 38 5.284 5.156 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.000 3.452 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.380 3.407 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 38 5.454 6.043 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.068 5.684 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.771 4.466 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.378 4.034 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.846 6.612 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.153 4.963 -7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.099 6.059 -8.404 1.00 0.00 H new ATOM 624 N ILE A 39 3.124 2.685 -8.718 1.00 0.00 N ATOM 625 CA ILE A 39 2.495 1.517 -9.435 1.00 0.00 C ATOM 626 C ILE A 39 1.880 2.010 -10.754 1.00 0.00 C ATOM 627 O ILE A 39 2.066 1.405 -11.793 1.00 0.00 O ATOM 628 CB ILE A 39 1.401 0.971 -8.485 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.064 0.358 -7.234 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.533 -0.083 -9.192 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.801 -0.939 -7.590 1.00 0.00 C ATOM 0 H ILE A 39 2.724 2.899 -7.805 1.00 0.00 H new ATOM 0 HA ILE A 39 3.218 0.738 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 39 0.754 1.797 -8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.764 1.072 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.306 0.155 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.227 -0.450 -8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.050 0.366 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.160 -0.913 -9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.261 -1.354 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.093 -1.659 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.574 -0.727 -8.329 1.00 0.00 H new ATOM 643 N VAL A 40 1.159 3.110 -10.722 1.00 0.00 N ATOM 644 CA VAL A 40 0.549 3.637 -11.995 1.00 0.00 C ATOM 645 C VAL A 40 1.667 3.990 -12.993 1.00 0.00 C ATOM 646 O VAL A 40 1.527 3.773 -14.182 1.00 0.00 O ATOM 647 CB VAL A 40 -0.256 4.896 -11.619 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.898 5.497 -12.874 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.355 4.521 -10.616 1.00 0.00 C ATOM 0 H VAL A 40 0.967 3.660 -9.885 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.098 2.896 -12.464 1.00 0.00 H new ATOM 0 HB VAL A 40 0.415 5.629 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.466 6.387 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.119 5.768 -13.587 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.566 4.765 -13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.924 5.412 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.022 3.785 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.901 4.100 -9.719 1.00 0.00 H new ATOM 659 N ASN A 41 2.774 4.528 -12.520 1.00 0.00 N ATOM 660 CA ASN A 41 3.895 4.885 -13.464 1.00 0.00 C ATOM 661 C ASN A 41 4.344 3.649 -14.260 1.00 0.00 C ATOM 662 O ASN A 41 4.674 3.754 -15.427 1.00 0.00 O ATOM 663 CB ASN A 41 5.056 5.405 -12.600 1.00 0.00 C ATOM 664 CG ASN A 41 4.902 6.917 -12.392 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.028 7.681 -13.329 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.634 7.390 -11.199 1.00 0.00 N ATOM 0 H ASN A 41 2.950 4.733 -11.536 1.00 0.00 H new ATOM 0 HA ASN A 41 3.569 5.638 -14.182 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.064 4.894 -11.637 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.009 5.189 -13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.532 8.395 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.527 6.753 -10.410 1.00 0.00 H new ATOM 673 N GLY A 42 4.362 2.480 -13.650 1.00 0.00 N ATOM 674 CA GLY A 42 4.796 1.258 -14.405 1.00 0.00 C ATOM 675 C GLY A 42 4.594 -0.004 -13.552 1.00 0.00 C ATOM 676 O GLY A 42 3.980 -0.959 -13.992 1.00 0.00 O ATOM 0 H GLY A 42 4.099 2.323 -12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.226 1.174 -15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.845 1.350 -14.685 1.00 0.00 H new ATOM 680 N GLY A 43 5.106 -0.020 -12.341 1.00 0.00 N ATOM 681 CA GLY A 43 4.940 -1.222 -11.475 1.00 0.00 C ATOM 682 C GLY A 43 6.272 -1.981 -11.391 1.00 0.00 C ATOM 683 O GLY A 43 6.328 -3.170 -11.641 1.00 0.00 O ATOM 0 H GLY A 43 5.629 0.748 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.616 -0.923 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.164 -1.871 -11.881 1.00 0.00 H new ATOM 687 N THR A 44 7.343 -1.307 -11.025 1.00 0.00 N ATOM 688 CA THR A 44 8.662 -1.997 -10.909 1.00 0.00 C ATOM 689 C THR A 44 9.087 -2.007 -9.433 1.00 0.00 C ATOM 690 O THR A 44 9.480 -0.991 -8.895 1.00 0.00 O ATOM 691 CB THR A 44 9.624 -1.163 -11.759 1.00 0.00 C ATOM 692 OG1 THR A 44 9.335 0.218 -11.576 1.00 0.00 O ATOM 693 CG2 THR A 44 9.449 -1.535 -13.234 1.00 0.00 C ATOM 0 H THR A 44 7.355 -0.311 -10.803 1.00 0.00 H new ATOM 0 HA THR A 44 8.640 -3.033 -11.249 1.00 0.00 H new ATOM 0 HB THR A 44 10.652 -1.362 -11.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.950 0.755 -12.117 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.133 -0.943 -13.842 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.667 -2.594 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.423 -1.333 -13.541 1.00 0.00 H new ATOM 701 N VAL A 45 8.979 -3.140 -8.760 1.00 0.00 N ATOM 702 CA VAL A 45 9.349 -3.190 -7.291 1.00 0.00 C ATOM 703 C VAL A 45 10.733 -2.562 -7.044 1.00 0.00 C ATOM 704 O VAL A 45 10.940 -1.907 -6.042 1.00 0.00 O ATOM 705 CB VAL A 45 9.342 -4.677 -6.873 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.759 -4.812 -5.402 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.930 -5.251 -7.038 1.00 0.00 C ATOM 0 H VAL A 45 8.655 -4.023 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 45 8.635 -2.617 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 45 10.044 -5.222 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.751 -5.864 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.763 -4.408 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.060 -4.260 -4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.927 -6.300 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.235 -4.695 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.622 -5.167 -8.080 1.00 0.00 H new ATOM 717 N GLU A 46 11.677 -2.743 -7.940 1.00 0.00 N ATOM 718 CA GLU A 46 13.033 -2.129 -7.708 1.00 0.00 C ATOM 719 C GLU A 46 12.915 -0.601 -7.740 1.00 0.00 C ATOM 720 O GLU A 46 13.332 0.071 -6.815 1.00 0.00 O ATOM 721 CB GLU A 46 13.952 -2.624 -8.835 1.00 0.00 C ATOM 722 CG GLU A 46 15.409 -2.322 -8.477 1.00 0.00 C ATOM 723 CD GLU A 46 16.287 -2.485 -9.719 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.390 -3.600 -10.204 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.840 -1.493 -10.163 1.00 0.00 O ATOM 0 H GLU A 46 11.575 -3.276 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 46 13.438 -2.414 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.818 -3.695 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.689 -2.136 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.496 -1.307 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.747 -2.995 -7.689 1.00 0.00 H new ATOM 732 N SER A 47 12.333 -0.042 -8.781 1.00 0.00 N ATOM 733 CA SER A 47 12.182 1.454 -8.825 1.00 0.00 C ATOM 734 C SER A 47 11.149 1.900 -7.779 1.00 0.00 C ATOM 735 O SER A 47 11.293 2.944 -7.173 1.00 0.00 O ATOM 736 CB SER A 47 11.705 1.817 -10.238 1.00 0.00 C ATOM 737 OG SER A 47 12.273 3.063 -10.619 1.00 0.00 O ATOM 0 H SER A 47 11.963 -0.545 -9.587 1.00 0.00 H new ATOM 0 HA SER A 47 13.124 1.953 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.997 1.040 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.617 1.877 -10.263 1.00 0.00 H new ATOM 0 HG SER A 47 11.972 3.297 -11.522 1.00 0.00 H new ATOM 743 N VAL A 48 10.112 1.113 -7.548 1.00 0.00 N ATOM 744 CA VAL A 48 9.088 1.514 -6.520 1.00 0.00 C ATOM 745 C VAL A 48 9.676 1.362 -5.108 1.00 0.00 C ATOM 746 O VAL A 48 9.398 2.168 -4.239 1.00 0.00 O ATOM 747 CB VAL A 48 7.872 0.586 -6.709 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.772 0.972 -5.715 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.331 0.730 -8.136 1.00 0.00 C ATOM 0 H VAL A 48 9.934 0.226 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 48 8.793 2.556 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 48 8.179 -0.445 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.913 0.315 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.150 0.871 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.470 2.005 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.471 0.073 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.028 1.763 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.109 0.457 -8.849 1.00 0.00 H new ATOM 759 N VAL A 49 10.503 0.361 -4.868 1.00 0.00 N ATOM 760 CA VAL A 49 11.108 0.222 -3.496 1.00 0.00 C ATOM 761 C VAL A 49 12.231 1.263 -3.340 1.00 0.00 C ATOM 762 O VAL A 49 12.394 1.845 -2.284 1.00 0.00 O ATOM 763 CB VAL A 49 11.651 -1.218 -3.387 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.449 -1.390 -2.089 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.476 -2.200 -3.378 1.00 0.00 C ATOM 0 H VAL A 49 10.779 -0.349 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 49 10.380 0.398 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 49 12.303 -1.414 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.826 -2.411 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.287 -0.693 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.802 -1.189 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.854 -3.219 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.831 -1.987 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.906 -2.093 -4.301 1.00 0.00 H new ATOM 775 N ASP A 50 12.994 1.520 -4.385 1.00 0.00 N ATOM 776 CA ASP A 50 14.088 2.548 -4.273 1.00 0.00 C ATOM 777 C ASP A 50 13.474 3.946 -4.097 1.00 0.00 C ATOM 778 O ASP A 50 13.998 4.762 -3.361 1.00 0.00 O ATOM 779 CB ASP A 50 14.900 2.483 -5.576 1.00 0.00 C ATOM 780 CG ASP A 50 16.134 3.380 -5.454 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.959 4.577 -5.306 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.233 2.852 -5.511 1.00 0.00 O ATOM 0 H ASP A 50 12.909 1.070 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 50 14.726 2.351 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.203 1.455 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.285 2.805 -6.417 1.00 0.00 H new ATOM 787 N GLU A 51 12.361 4.231 -4.750 1.00 0.00 N ATOM 788 CA GLU A 51 11.734 5.591 -4.579 1.00 0.00 C ATOM 789 C GLU A 51 11.112 5.689 -3.180 1.00 0.00 C ATOM 790 O GLU A 51 11.248 6.696 -2.510 1.00 0.00 O ATOM 791 CB GLU A 51 10.645 5.742 -5.666 1.00 0.00 C ATOM 792 CG GLU A 51 11.024 6.876 -6.621 1.00 0.00 C ATOM 793 CD GLU A 51 10.518 6.550 -8.028 1.00 0.00 C ATOM 794 OE1 GLU A 51 11.008 5.594 -8.606 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.650 7.264 -8.503 1.00 0.00 O ATOM 0 H GLU A 51 11.870 3.596 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 51 12.476 6.383 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.537 4.809 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.681 5.951 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.592 7.815 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.106 7.008 -6.634 1.00 0.00 H new ATOM 802 N LEU A 52 10.447 4.649 -2.726 1.00 0.00 N ATOM 803 CA LEU A 52 9.840 4.700 -1.351 1.00 0.00 C ATOM 804 C LEU A 52 10.953 4.674 -0.293 1.00 0.00 C ATOM 805 O LEU A 52 10.846 5.323 0.728 1.00 0.00 O ATOM 806 CB LEU A 52 8.936 3.466 -1.213 1.00 0.00 C ATOM 807 CG LEU A 52 7.665 3.672 -2.038 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.982 2.322 -2.266 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.714 4.606 -1.285 1.00 0.00 C ATOM 0 H LEU A 52 10.299 3.779 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 52 9.263 5.613 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.464 2.575 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.681 3.304 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 52 7.923 4.116 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.076 2.467 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.660 1.657 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.723 1.878 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.808 4.753 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.455 4.163 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.201 5.567 -1.122 1.00 0.00 H new ATOM 821 N ALA A 53 12.026 3.944 -0.529 1.00 0.00 N ATOM 822 CA ALA A 53 13.140 3.918 0.483 1.00 0.00 C ATOM 823 C ALA A 53 13.850 5.281 0.502 1.00 0.00 C ATOM 824 O ALA A 53 14.216 5.776 1.552 1.00 0.00 O ATOM 825 CB ALA A 53 14.115 2.812 0.049 1.00 0.00 C ATOM 0 H ALA A 53 12.177 3.375 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 53 12.761 3.722 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.942 2.757 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.593 1.855 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.502 3.038 -0.944 1.00 0.00 H new ATOM 831 N SER A 54 14.038 5.901 -0.647 1.00 0.00 N ATOM 832 CA SER A 54 14.719 7.247 -0.667 1.00 0.00 C ATOM 833 C SER A 54 13.893 8.273 0.129 1.00 0.00 C ATOM 834 O SER A 54 14.444 9.147 0.772 1.00 0.00 O ATOM 835 CB SER A 54 14.819 7.676 -2.138 1.00 0.00 C ATOM 836 OG SER A 54 15.538 8.899 -2.224 1.00 0.00 O ATOM 0 H SER A 54 13.755 5.541 -1.558 1.00 0.00 H new ATOM 0 HA SER A 54 15.707 7.189 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.322 6.904 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.822 7.797 -2.562 1.00 0.00 H new ATOM 0 HG SER A 54 15.604 9.174 -3.162 1.00 0.00 H new ATOM 842 N LEU A 55 12.578 8.173 0.105 1.00 0.00 N ATOM 843 CA LEU A 55 11.737 9.147 0.880 1.00 0.00 C ATOM 844 C LEU A 55 11.442 8.575 2.273 1.00 0.00 C ATOM 845 O LEU A 55 11.504 9.277 3.264 1.00 0.00 O ATOM 846 CB LEU A 55 10.437 9.322 0.077 1.00 0.00 C ATOM 847 CG LEU A 55 10.144 10.810 -0.129 1.00 0.00 C ATOM 848 CD1 LEU A 55 11.241 11.433 -0.993 1.00 0.00 C ATOM 849 CD2 LEU A 55 8.793 10.967 -0.831 1.00 0.00 C ATOM 0 H LEU A 55 12.057 7.465 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 55 12.241 10.104 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.526 8.824 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.608 8.849 0.604 1.00 0.00 H new ATOM 0 HG LEU A 55 10.116 11.313 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.031 12.493 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.204 11.319 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.270 10.932 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.581 12.026 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.825 10.464 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.010 10.523 -0.217 1.00 0.00 H new ATOM 861 N PHE A 56 11.135 7.298 2.357 1.00 0.00 N ATOM 862 CA PHE A 56 10.852 6.675 3.685 1.00 0.00 C ATOM 863 C PHE A 56 12.013 5.743 4.064 1.00 0.00 C ATOM 864 O PHE A 56 11.892 4.535 3.987 1.00 0.00 O ATOM 865 CB PHE A 56 9.555 5.874 3.507 1.00 0.00 C ATOM 866 CG PHE A 56 8.449 6.780 3.016 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.152 7.965 3.702 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.720 6.433 1.873 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.127 8.801 3.243 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.697 7.269 1.415 1.00 0.00 C ATOM 871 CZ PHE A 56 6.399 8.453 2.099 1.00 0.00 C ATOM 0 H PHE A 56 11.069 6.664 1.560 1.00 0.00 H new ATOM 0 HA PHE A 56 10.748 7.417 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.714 5.063 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.268 5.417 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.714 8.233 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.948 5.519 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.898 9.715 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.136 7.001 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.608 9.098 1.745 1.00 0.00 H new ATOM 881 N ASP A 57 13.138 6.294 4.477 1.00 0.00 N ATOM 882 CA ASP A 57 14.297 5.421 4.862 1.00 0.00 C ATOM 883 C ASP A 57 14.386 5.259 6.393 1.00 0.00 C ATOM 884 O ASP A 57 15.455 5.026 6.926 1.00 0.00 O ATOM 885 CB ASP A 57 15.548 6.129 4.327 1.00 0.00 C ATOM 886 CG ASP A 57 16.682 5.114 4.170 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.534 4.211 3.363 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.679 5.258 4.857 1.00 0.00 O ATOM 0 H ASP A 57 13.300 7.297 4.562 1.00 0.00 H new ATOM 0 HA ASP A 57 14.189 4.419 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.331 6.598 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.849 6.924 5.010 1.00 0.00 H new ATOM 893 N SER A 58 13.279 5.365 7.109 1.00 0.00 N ATOM 894 CA SER A 58 13.335 5.194 8.601 1.00 0.00 C ATOM 895 C SER A 58 12.962 3.752 8.995 1.00 0.00 C ATOM 896 O SER A 58 13.489 3.219 9.954 1.00 0.00 O ATOM 897 CB SER A 58 12.319 6.187 9.179 1.00 0.00 C ATOM 898 OG SER A 58 12.931 7.464 9.308 1.00 0.00 O ATOM 0 H SER A 58 12.353 5.560 6.727 1.00 0.00 H new ATOM 0 HA SER A 58 14.338 5.380 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.447 6.253 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.966 5.840 10.150 1.00 0.00 H new ATOM 0 HG SER A 58 12.284 8.101 9.676 1.00 0.00 H new ATOM 904 N VAL A 59 12.069 3.110 8.265 1.00 0.00 N ATOM 905 CA VAL A 59 11.689 1.700 8.617 1.00 0.00 C ATOM 906 C VAL A 59 12.476 0.702 7.751 1.00 0.00 C ATOM 907 O VAL A 59 12.938 1.036 6.676 1.00 0.00 O ATOM 908 CB VAL A 59 10.171 1.580 8.369 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.838 1.762 6.880 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.697 0.200 8.823 1.00 0.00 C ATOM 0 H VAL A 59 11.593 3.499 7.451 1.00 0.00 H new ATOM 0 HA VAL A 59 11.927 1.470 9.656 1.00 0.00 H new ATOM 0 HB VAL A 59 9.665 2.362 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.761 1.672 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.168 2.747 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.348 0.995 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.625 0.109 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.222 -0.569 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.905 0.075 9.886 1.00 0.00 H new ATOM 920 N SER A 60 12.644 -0.521 8.217 1.00 0.00 N ATOM 921 CA SER A 60 13.421 -1.540 7.412 1.00 0.00 C ATOM 922 C SER A 60 12.884 -1.633 5.969 1.00 0.00 C ATOM 923 O SER A 60 11.690 -1.591 5.745 1.00 0.00 O ATOM 924 CB SER A 60 13.240 -2.889 8.121 1.00 0.00 C ATOM 925 OG SER A 60 11.984 -2.906 8.787 1.00 0.00 O ATOM 0 H SER A 60 12.282 -0.858 9.109 1.00 0.00 H new ATOM 0 HA SER A 60 14.471 -1.255 7.349 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.292 -3.703 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.046 -3.047 8.837 1.00 0.00 H new ATOM 0 HG SER A 60 11.865 -3.767 9.239 1.00 0.00 H new ATOM 931 N ARG A 61 13.761 -1.767 4.991 1.00 0.00 N ATOM 932 CA ARG A 61 13.293 -1.868 3.557 1.00 0.00 C ATOM 933 C ARG A 61 12.243 -2.983 3.399 1.00 0.00 C ATOM 934 O ARG A 61 11.347 -2.877 2.584 1.00 0.00 O ATOM 935 CB ARG A 61 14.533 -2.200 2.711 1.00 0.00 C ATOM 936 CG ARG A 61 15.397 -0.944 2.554 1.00 0.00 C ATOM 937 CD ARG A 61 15.996 -0.906 1.146 1.00 0.00 C ATOM 938 NE ARG A 61 17.381 -0.394 1.331 1.00 0.00 N ATOM 939 CZ ARG A 61 18.398 -1.090 0.903 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.410 -1.542 -0.321 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.403 -1.336 1.698 1.00 0.00 N ATOM 0 H ARG A 61 14.772 -1.811 5.120 1.00 0.00 H new ATOM 0 HA ARG A 61 12.829 -0.934 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.109 -2.993 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.230 -2.570 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.795 -0.052 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.193 -0.942 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.999 -1.897 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.419 -0.255 0.489 1.00 0.00 H new ATOM 0 HE ARG A 61 17.535 0.502 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.624 -1.351 -0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.205 -2.086 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.394 -0.984 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.198 -1.880 1.362 1.00 0.00 H new ATOM 955 N ASP A 62 12.345 -4.053 4.164 1.00 0.00 N ATOM 956 CA ASP A 62 11.334 -5.167 4.029 1.00 0.00 C ATOM 957 C ASP A 62 9.912 -4.628 4.246 1.00 0.00 C ATOM 958 O ASP A 62 8.986 -5.030 3.564 1.00 0.00 O ATOM 959 CB ASP A 62 11.672 -6.210 5.107 1.00 0.00 C ATOM 960 CG ASP A 62 12.890 -7.024 4.665 1.00 0.00 C ATOM 961 OD1 ASP A 62 13.972 -6.463 4.628 1.00 0.00 O ATOM 962 OD2 ASP A 62 12.718 -8.195 4.369 1.00 0.00 O ATOM 0 H ASP A 62 13.071 -4.204 4.865 1.00 0.00 H new ATOM 0 HA ASP A 62 11.373 -5.606 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.877 -5.715 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.820 -6.870 5.270 1.00 0.00 H new ATOM 967 N THR A 63 9.727 -3.720 5.180 1.00 0.00 N ATOM 968 CA THR A 63 8.345 -3.165 5.411 1.00 0.00 C ATOM 969 C THR A 63 7.891 -2.387 4.168 1.00 0.00 C ATOM 970 O THR A 63 6.755 -2.502 3.745 1.00 0.00 O ATOM 971 CB THR A 63 8.433 -2.235 6.635 1.00 0.00 C ATOM 972 OG1 THR A 63 8.839 -2.992 7.769 1.00 0.00 O ATOM 973 CG2 THR A 63 7.066 -1.601 6.908 1.00 0.00 C ATOM 0 H THR A 63 10.457 -3.343 5.784 1.00 0.00 H new ATOM 0 HA THR A 63 7.620 -3.959 5.591 1.00 0.00 H new ATOM 0 HB THR A 63 9.159 -1.446 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.796 -2.854 7.929 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.136 -0.944 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.753 -1.022 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.334 -2.385 7.104 1.00 0.00 H new ATOM 981 N LEU A 64 8.768 -1.608 3.570 1.00 0.00 N ATOM 982 CA LEU A 64 8.360 -0.845 2.339 1.00 0.00 C ATOM 983 C LEU A 64 8.111 -1.836 1.199 1.00 0.00 C ATOM 984 O LEU A 64 7.114 -1.756 0.507 1.00 0.00 O ATOM 985 CB LEU A 64 9.524 0.097 1.983 1.00 0.00 C ATOM 986 CG LEU A 64 9.796 1.064 3.150 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.219 0.856 3.677 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.649 2.511 2.667 1.00 0.00 C ATOM 0 H LEU A 64 9.732 -1.468 3.874 1.00 0.00 H new ATOM 0 HA LEU A 64 7.447 -0.273 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.420 -0.485 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.284 0.661 1.082 1.00 0.00 H new ATOM 0 HG LEU A 64 9.079 0.867 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.405 1.543 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.331 -0.170 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.935 1.047 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.842 3.193 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.363 2.702 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.637 2.669 2.295 1.00 0.00 H new ATOM 1000 N ALA A 65 9.005 -2.784 1.009 1.00 0.00 N ATOM 1001 CA ALA A 65 8.794 -3.797 -0.089 1.00 0.00 C ATOM 1002 C ALA A 65 7.488 -4.570 0.156 1.00 0.00 C ATOM 1003 O ALA A 65 6.778 -4.899 -0.776 1.00 0.00 O ATOM 1004 CB ALA A 65 9.995 -4.757 -0.044 1.00 0.00 C ATOM 0 H ALA A 65 9.858 -2.902 1.555 1.00 0.00 H new ATOM 0 HA ALA A 65 8.718 -3.313 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.887 -5.511 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.915 -4.196 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.035 -5.245 0.930 1.00 0.00 H new ATOM 1010 N ASN A 66 7.161 -4.865 1.401 1.00 0.00 N ATOM 1011 CA ASN A 66 5.886 -5.621 1.677 1.00 0.00 C ATOM 1012 C ASN A 66 4.678 -4.815 1.175 1.00 0.00 C ATOM 1013 O ASN A 66 3.760 -5.372 0.601 1.00 0.00 O ATOM 1014 CB ASN A 66 5.799 -5.814 3.200 1.00 0.00 C ATOM 1015 CG ASN A 66 5.054 -7.118 3.509 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.843 -7.127 3.598 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.727 -8.231 3.677 1.00 0.00 N ATOM 0 H ASN A 66 7.711 -4.620 2.224 1.00 0.00 H new ATOM 0 HA ASN A 66 5.883 -6.583 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.800 -5.844 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.281 -4.970 3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.233 -9.100 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.744 -8.228 3.603 1.00 0.00 H new ATOM 1024 N VAL A 67 4.669 -3.510 1.374 1.00 0.00 N ATOM 1025 CA VAL A 67 3.499 -2.696 0.880 1.00 0.00 C ATOM 1026 C VAL A 67 3.532 -2.627 -0.656 1.00 0.00 C ATOM 1027 O VAL A 67 2.501 -2.691 -1.300 1.00 0.00 O ATOM 1028 CB VAL A 67 3.633 -1.296 1.505 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.486 -0.404 1.025 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.572 -1.417 3.031 1.00 0.00 C ATOM 0 H VAL A 67 5.403 -2.983 1.846 1.00 0.00 H new ATOM 0 HA VAL A 67 2.547 -3.143 1.166 1.00 0.00 H new ATOM 0 HB VAL A 67 4.584 -0.856 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.585 0.586 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.521 -0.319 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.534 -0.843 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.667 -0.428 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.619 -1.858 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.387 -2.052 3.379 1.00 0.00 H new ATOM 1040 N VAL A 68 4.701 -2.524 -1.258 1.00 0.00 N ATOM 1041 CA VAL A 68 4.754 -2.494 -2.763 1.00 0.00 C ATOM 1042 C VAL A 68 4.399 -3.891 -3.304 1.00 0.00 C ATOM 1043 O VAL A 68 3.747 -4.012 -4.325 1.00 0.00 O ATOM 1044 CB VAL A 68 6.191 -2.112 -3.156 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.304 -2.044 -4.681 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.535 -0.743 -2.563 1.00 0.00 C ATOM 0 H VAL A 68 5.602 -2.461 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 68 4.047 -1.776 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 68 6.882 -2.862 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.323 -1.773 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.058 -3.016 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.612 -1.294 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.553 -0.472 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.842 0.005 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.455 -0.786 -1.477 1.00 0.00 H new ATOM 1056 N GLN A 69 4.814 -4.950 -2.626 1.00 0.00 N ATOM 1057 CA GLN A 69 4.475 -6.331 -3.123 1.00 0.00 C ATOM 1058 C GLN A 69 2.953 -6.526 -3.137 1.00 0.00 C ATOM 1059 O GLN A 69 2.412 -7.096 -4.067 1.00 0.00 O ATOM 1060 CB GLN A 69 5.129 -7.329 -2.153 1.00 0.00 C ATOM 1061 CG GLN A 69 6.557 -7.627 -2.612 1.00 0.00 C ATOM 1062 CD GLN A 69 7.215 -8.609 -1.634 1.00 0.00 C ATOM 1063 OE1 GLN A 69 7.842 -8.197 -0.679 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.102 -9.901 -1.829 1.00 0.00 N ATOM 0 H GLN A 69 5.362 -4.917 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 69 4.840 -6.481 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.139 -6.918 -1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.548 -8.250 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.547 -8.050 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.135 -6.704 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.576 -10.252 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.540 -10.555 -1.180 1.00 0.00 H new ATOM 1073 N THR A 70 2.252 -6.053 -2.124 1.00 0.00 N ATOM 1074 CA THR A 70 0.753 -6.225 -2.124 1.00 0.00 C ATOM 1075 C THR A 70 0.115 -5.348 -3.217 1.00 0.00 C ATOM 1076 O THR A 70 -0.899 -5.712 -3.781 1.00 0.00 O ATOM 1077 CB THR A 70 0.235 -5.845 -0.722 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.169 -6.053 -0.672 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.540 -4.381 -0.411 1.00 0.00 C ATOM 0 H THR A 70 2.640 -5.567 -1.316 1.00 0.00 H new ATOM 0 HA THR A 70 0.483 -7.258 -2.345 1.00 0.00 H new ATOM 0 HB THR A 70 0.735 -6.470 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.504 -5.814 0.218 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.166 -4.135 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.617 -4.219 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.055 -3.743 -1.150 1.00 0.00 H new ATOM 1087 N ALA A 71 0.706 -4.212 -3.551 1.00 0.00 N ATOM 1088 CA ALA A 71 0.110 -3.363 -4.644 1.00 0.00 C ATOM 1089 C ALA A 71 0.298 -4.078 -5.994 1.00 0.00 C ATOM 1090 O ALA A 71 -0.559 -4.011 -6.853 1.00 0.00 O ATOM 1091 CB ALA A 71 0.861 -2.019 -4.642 1.00 0.00 C ATOM 0 H ALA A 71 1.556 -3.845 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.956 -3.199 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.456 -1.375 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.739 -1.535 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.920 -2.194 -4.829 1.00 0.00 H new ATOM 1097 N PHE A 72 1.405 -4.779 -6.183 1.00 0.00 N ATOM 1098 CA PHE A 72 1.610 -5.508 -7.485 1.00 0.00 C ATOM 1099 C PHE A 72 0.554 -6.614 -7.598 1.00 0.00 C ATOM 1100 O PHE A 72 -0.155 -6.701 -8.583 1.00 0.00 O ATOM 1101 CB PHE A 72 3.019 -6.127 -7.435 1.00 0.00 C ATOM 1102 CG PHE A 72 4.053 -5.115 -7.880 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.085 -3.834 -7.311 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.990 -5.466 -8.859 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.050 -2.910 -7.723 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.954 -4.539 -9.271 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.982 -3.262 -8.701 1.00 0.00 C ATOM 0 H PHE A 72 2.160 -4.875 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 72 1.516 -4.842 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.241 -6.462 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.060 -7.006 -8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.364 -3.561 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.969 -6.453 -9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.074 -1.923 -7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.675 -4.809 -10.028 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.726 -2.547 -9.018 1.00 0.00 H new ATOM 1117 N PHE A 73 0.428 -7.451 -6.584 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.614 -8.538 -6.643 1.00 0.00 C ATOM 1119 C PHE A 73 -2.006 -7.900 -6.778 1.00 0.00 C ATOM 1120 O PHE A 73 -2.845 -8.386 -7.514 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.516 -9.322 -5.323 1.00 0.00 C ATOM 1122 CG PHE A 73 0.508 -10.423 -5.467 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.232 -11.534 -6.273 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.732 -10.333 -4.794 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.180 -12.554 -6.406 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.680 -11.354 -4.926 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.405 -12.465 -5.734 1.00 0.00 C ATOM 0 H PHE A 73 0.991 -7.430 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.456 -9.198 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.234 -8.653 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.487 -9.745 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.713 -11.604 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.945 -9.476 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.967 -13.411 -7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.624 -11.285 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.137 -13.252 -5.838 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.258 -6.804 -6.081 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.606 -6.140 -6.198 1.00 0.00 C ATOM 1139 C ALA A 74 -3.872 -5.747 -7.659 1.00 0.00 C ATOM 1140 O ALA A 74 -4.983 -5.870 -8.140 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.563 -4.884 -5.314 1.00 0.00 C ATOM 0 H ALA A 74 -1.600 -6.349 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.403 -6.813 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.522 -4.368 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.363 -5.172 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.774 -4.219 -5.665 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.863 -5.283 -8.377 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.094 -4.897 -9.819 1.00 0.00 C ATOM 1149 C LEU A 75 -3.649 -6.098 -10.598 1.00 0.00 C ATOM 1150 O LEU A 75 -4.547 -5.953 -11.407 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.730 -4.470 -10.407 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.622 -2.939 -10.456 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.748 -2.358 -11.319 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.714 -2.369 -9.038 1.00 0.00 C ATOM 0 H LEU A 75 -1.910 -5.157 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.815 -4.083 -9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.922 -4.878 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.615 -4.881 -11.410 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.662 -2.666 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.662 -1.272 -11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.672 -2.754 -12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.712 -2.635 -10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.637 -1.282 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.669 -2.649 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.901 -2.769 -8.432 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.137 -7.285 -10.353 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.668 -8.489 -11.084 1.00 0.00 C ATOM 1168 C GLU A 76 -5.088 -8.796 -10.589 1.00 0.00 C ATOM 1169 O GLU A 76 -5.965 -9.111 -11.371 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.724 -9.660 -10.769 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.756 -10.666 -11.922 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.723 -10.266 -12.976 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.935 -9.261 -13.635 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -0.736 -10.971 -13.108 1.00 0.00 O ATOM 0 H GLU A 76 -2.386 -7.473 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.712 -8.317 -12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.709 -9.293 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.026 -10.145 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.543 -11.668 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.751 -10.696 -12.366 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.327 -8.693 -9.298 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.712 -8.968 -8.774 1.00 0.00 C ATOM 1183 C ALA A 77 -7.689 -7.915 -9.315 1.00 0.00 C ATOM 1184 O ALA A 77 -8.812 -8.231 -9.660 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.635 -8.885 -7.240 1.00 0.00 C ATOM 0 H ALA A 77 -4.636 -8.435 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.066 -9.949 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.620 -9.078 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.928 -9.628 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.302 -7.890 -6.946 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.273 -6.666 -9.402 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.206 -5.611 -9.939 1.00 0.00 C ATOM 1193 C LEU A 78 -8.573 -5.937 -11.394 1.00 0.00 C ATOM 1194 O LEU A 78 -9.710 -5.776 -11.798 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.455 -4.270 -9.871 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.727 -3.602 -8.523 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.784 -2.411 -8.345 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.179 -3.115 -8.478 1.00 0.00 C ATOM 0 H LEU A 78 -6.347 -6.336 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.127 -5.568 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.385 -4.433 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.777 -3.619 -10.683 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.560 -4.321 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.977 -1.934 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.751 -2.757 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.951 -1.692 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.373 -2.639 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.347 -2.396 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.851 -3.963 -8.605 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.625 -6.398 -12.188 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.951 -6.733 -13.623 1.00 0.00 C ATOM 1212 C GLN A 79 -9.073 -7.786 -13.692 1.00 0.00 C ATOM 1213 O GLN A 79 -9.880 -7.767 -14.602 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.666 -7.293 -14.253 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.843 -6.145 -14.843 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.351 -6.493 -14.771 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.967 -7.612 -15.052 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.484 -5.582 -14.405 1.00 0.00 N ATOM 0 H GLN A 79 -6.656 -6.555 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.298 -5.847 -14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.082 -7.824 -13.502 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.915 -8.014 -15.032 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.136 -5.968 -15.878 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.039 -5.224 -14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.801 -4.642 -14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.492 -5.813 -14.357 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.136 -8.702 -12.744 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.223 -9.744 -12.787 1.00 0.00 C ATOM 1229 C GLN A 80 -11.530 -9.170 -12.222 1.00 0.00 C ATOM 1230 O GLN A 80 -12.598 -9.426 -12.747 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.738 -10.920 -11.925 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.742 -11.764 -12.723 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.475 -12.940 -13.380 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.335 -12.740 -14.214 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.174 -14.170 -13.040 1.00 0.00 N ATOM 0 H GLN A 80 -8.493 -8.773 -11.955 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.422 -10.065 -13.810 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.268 -10.547 -11.015 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.585 -11.533 -11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.259 -11.152 -13.485 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.955 -12.134 -12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.453 -14.344 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.661 -14.953 -13.475 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.460 -8.397 -11.159 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.705 -7.813 -10.577 1.00 0.00 C ATOM 1246 C GLY A 81 -12.737 -8.060 -9.061 1.00 0.00 C ATOM 1247 O GLY A 81 -13.402 -8.966 -8.595 1.00 0.00 O ATOM 0 H GLY A 81 -10.597 -8.149 -10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.746 -6.743 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.581 -8.261 -11.046 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.030 -7.262 -8.287 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.033 -7.458 -6.805 1.00 0.00 C ATOM 1253 C GLU A 82 -12.612 -6.213 -6.112 1.00 0.00 C ATOM 1254 O GLU A 82 -12.799 -5.188 -6.741 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.563 -7.652 -6.428 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.443 -8.751 -5.369 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.862 -10.092 -5.976 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -10.524 -10.332 -7.123 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -11.513 -10.856 -5.282 1.00 0.00 O ATOM 0 H GLU A 82 -11.455 -6.488 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.644 -8.307 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.983 -7.920 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.149 -6.719 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.417 -8.809 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.073 -8.515 -4.511 1.00 0.00 H new ATOM 1266 N SER A 83 -12.893 -6.287 -4.826 1.00 0.00 N ATOM 1267 CA SER A 83 -13.455 -5.095 -4.118 1.00 0.00 C ATOM 1268 C SER A 83 -12.436 -4.543 -3.111 1.00 0.00 C ATOM 1269 O SER A 83 -11.800 -5.293 -2.394 1.00 0.00 O ATOM 1270 CB SER A 83 -14.701 -5.599 -3.389 1.00 0.00 C ATOM 1271 OG SER A 83 -15.715 -5.894 -4.340 1.00 0.00 O ATOM 0 H SER A 83 -12.757 -7.115 -4.246 1.00 0.00 H new ATOM 0 HA SER A 83 -13.691 -4.288 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.461 -6.490 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.055 -4.845 -2.685 1.00 0.00 H new ATOM 0 HG SER A 83 -16.514 -6.219 -3.876 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.277 -3.237 -3.048 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.292 -2.649 -2.077 1.00 0.00 C ATOM 1279 C ALA A 84 -12.002 -2.132 -0.805 1.00 0.00 C ATOM 1280 O ALA A 84 -11.436 -2.174 0.272 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.611 -1.491 -2.822 1.00 0.00 C ATOM 0 H ALA A 84 -12.781 -2.560 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.571 -3.397 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.879 -1.018 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.109 -1.875 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.361 -0.757 -3.117 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.225 -1.644 -0.910 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.932 -1.126 0.321 1.00 0.00 C ATOM 1289 C GLU A 85 -14.033 -2.226 1.390 1.00 0.00 C ATOM 1290 O GLU A 85 -13.894 -1.960 2.569 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.339 -0.694 -0.123 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.886 0.349 0.855 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.759 1.351 0.098 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.299 1.865 -0.908 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.873 1.587 0.537 1.00 0.00 O ATOM 0 H GLU A 85 -13.757 -1.582 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.382 -0.293 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.303 -0.279 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.002 -1.558 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.469 -0.140 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.063 0.867 1.348 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.275 -3.459 0.993 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.383 -4.566 2.016 1.00 0.00 C ATOM 1304 C ASN A 86 -13.090 -4.658 2.842 1.00 0.00 C ATOM 1305 O ASN A 86 -13.135 -4.903 4.033 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.604 -5.872 1.235 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.103 -6.063 0.971 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.806 -6.614 1.795 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.630 -5.630 -0.148 1.00 0.00 N ATOM 0 H ASN A 86 -14.401 -3.747 0.023 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.204 -4.377 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.059 -5.841 0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.213 -6.717 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.627 -5.756 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.044 -5.167 -0.842 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.940 -4.458 2.230 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.659 -4.534 3.020 1.00 0.00 C ATOM 1318 C ILE A 87 -10.636 -3.422 4.086 1.00 0.00 C ATOM 1319 O ILE A 87 -10.159 -3.630 5.186 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.503 -4.348 2.018 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.546 -5.471 0.975 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.163 -4.398 2.758 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.130 -4.922 -0.393 1.00 0.00 C ATOM 0 H ILE A 87 -11.832 -4.249 1.237 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.568 -5.490 3.536 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.609 -3.382 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.879 -6.281 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.551 -5.890 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.349 -4.266 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.128 -3.601 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.058 -5.362 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.162 -5.723 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.815 -4.127 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.117 -4.524 -0.333 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.148 -2.242 3.777 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.140 -1.137 4.805 1.00 0.00 C ATOM 1337 C VAL A 88 -11.926 -1.570 6.055 1.00 0.00 C ATOM 1338 O VAL A 88 -11.545 -1.249 7.165 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.800 0.093 4.154 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.831 1.255 5.152 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.989 0.510 2.926 1.00 0.00 C ATOM 0 H VAL A 88 -11.562 -2.000 2.877 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.122 -0.905 5.119 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.819 -0.159 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.299 2.122 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.403 0.963 6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.813 1.507 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.453 1.380 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.972 0.759 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.963 -0.312 2.211 1.00 0.00 H new ATOM 1351 N SER A 89 -13.015 -2.299 5.893 1.00 0.00 N ATOM 1352 CA SER A 89 -13.801 -2.743 7.104 1.00 0.00 C ATOM 1353 C SER A 89 -12.883 -3.524 8.056 1.00 0.00 C ATOM 1354 O SER A 89 -12.923 -3.331 9.257 1.00 0.00 O ATOM 1355 CB SER A 89 -14.934 -3.648 6.596 1.00 0.00 C ATOM 1356 OG SER A 89 -15.600 -4.235 7.706 1.00 0.00 O ATOM 0 H SER A 89 -13.389 -2.601 4.993 1.00 0.00 H new ATOM 0 HA SER A 89 -14.205 -1.890 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.638 -3.068 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.531 -4.425 5.947 1.00 0.00 H new ATOM 0 HG SER A 89 -16.324 -4.812 7.385 1.00 0.00 H new ATOM 1362 N LYS A 90 -12.037 -4.385 7.528 1.00 0.00 N ATOM 1363 CA LYS A 90 -11.100 -5.150 8.426 1.00 0.00 C ATOM 1364 C LYS A 90 -10.043 -4.194 9.000 1.00 0.00 C ATOM 1365 O LYS A 90 -9.633 -4.339 10.137 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.433 -6.232 7.562 1.00 0.00 C ATOM 1367 CG LYS A 90 -11.364 -7.441 7.450 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.772 -8.452 6.467 1.00 0.00 C ATOM 1369 CE LYS A 90 -11.376 -9.834 6.729 1.00 0.00 C ATOM 1370 NZ LYS A 90 -12.568 -9.908 5.841 1.00 0.00 N ATOM 0 H LYS A 90 -11.954 -4.589 6.532 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.633 -5.604 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.213 -5.836 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.483 -6.531 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.496 -7.903 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.350 -7.124 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.978 -8.142 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.688 -8.490 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.663 -10.626 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.656 -9.950 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.036 -10.828 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.232 -9.146 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.270 -9.801 4.850 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.606 -3.208 8.237 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.586 -2.248 8.784 1.00 0.00 C ATOM 1386 C ILE A 91 -9.246 -1.349 9.839 1.00 0.00 C ATOM 1387 O ILE A 91 -8.648 -1.046 10.854 1.00 0.00 O ATOM 1388 CB ILE A 91 -8.072 -1.407 7.597 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.434 -2.321 6.535 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -7.027 -0.404 8.090 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.308 -3.156 7.159 1.00 0.00 C ATOM 0 H ILE A 91 -9.906 -3.031 7.278 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.758 -2.774 9.260 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.914 -0.875 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.191 -2.979 6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.039 -1.719 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.666 0.188 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.477 0.256 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.192 -0.940 8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.866 -3.798 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.544 -2.492 7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.714 -3.772 7.961 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.475 -0.927 9.619 1.00 0.00 N ATOM 1404 CA ARG A 92 -11.152 -0.052 10.641 1.00 0.00 C ATOM 1405 C ARG A 92 -11.277 -0.805 11.973 1.00 0.00 C ATOM 1406 O ARG A 92 -11.120 -0.219 13.029 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.544 0.291 10.089 1.00 0.00 C ATOM 1408 CG ARG A 92 -13.200 1.351 10.976 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.903 2.743 10.412 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.021 3.020 9.468 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.011 3.786 9.837 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -16.000 3.286 10.527 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.014 5.050 9.517 1.00 0.00 N ATOM 0 H ARG A 92 -11.031 -1.145 8.792 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.576 0.855 10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.460 0.659 9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.164 -0.605 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.277 1.187 11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.823 1.272 11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.861 3.490 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.940 2.765 9.902 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.013 2.611 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.999 2.297 10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.774 3.884 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.242 5.441 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.789 5.647 9.806 1.00 0.00 H new ATOM 1427 N MET A 93 -11.543 -2.096 11.942 1.00 0.00 N ATOM 1428 CA MET A 93 -11.654 -2.857 13.237 1.00 0.00 C ATOM 1429 C MET A 93 -10.258 -3.042 13.843 1.00 0.00 C ATOM 1430 O MET A 93 -10.076 -2.904 15.038 1.00 0.00 O ATOM 1431 CB MET A 93 -12.283 -4.219 12.904 1.00 0.00 C ATOM 1432 CG MET A 93 -13.791 -4.053 12.709 1.00 0.00 C ATOM 1433 SD MET A 93 -14.544 -5.675 12.427 1.00 0.00 S ATOM 1434 CE MET A 93 -16.260 -5.111 12.310 1.00 0.00 C ATOM 0 H MET A 93 -11.685 -2.646 11.095 1.00 0.00 H new ATOM 0 HA MET A 93 -12.267 -2.322 13.963 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.832 -4.628 12.000 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.086 -4.928 13.708 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.233 -3.583 13.588 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.989 -3.396 11.862 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.913 -5.966 12.134 1.00 0.00 H new ATOM 0 HE2 MET A 93 -16.546 -4.622 13.241 1.00 0.00 H new ATOM 0 HE3 MET A 93 -16.356 -4.405 11.485 1.00 0.00 H new ATOM 1444 N MET A 94 -9.265 -3.334 13.028 1.00 0.00 N ATOM 1445 CA MET A 94 -7.876 -3.500 13.582 1.00 0.00 C ATOM 1446 C MET A 94 -7.310 -2.128 13.979 1.00 0.00 C ATOM 1447 O MET A 94 -6.619 -2.010 14.974 1.00 0.00 O ATOM 1448 CB MET A 94 -7.023 -4.133 12.471 1.00 0.00 C ATOM 1449 CG MET A 94 -7.559 -5.528 12.148 1.00 0.00 C ATOM 1450 SD MET A 94 -7.277 -6.625 13.561 1.00 0.00 S ATOM 1451 CE MET A 94 -6.298 -7.872 12.688 1.00 0.00 C ATOM 0 H MET A 94 -9.353 -3.463 12.020 1.00 0.00 H new ATOM 0 HA MET A 94 -7.876 -4.131 14.471 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.047 -3.507 11.579 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.982 -4.196 12.789 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.624 -5.477 11.921 1.00 0.00 H new ATOM 0 HG3 MET A 94 -7.063 -5.924 11.262 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.010 -8.661 13.383 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.891 -8.300 11.879 1.00 0.00 H new ATOM 0 HE3 MET A 94 -5.402 -7.408 12.275 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.607 -1.087 13.225 1.00 0.00 N ATOM 1462 CA ASN A 95 -7.083 0.272 13.603 1.00 0.00 C ATOM 1463 C ASN A 95 -7.815 0.784 14.853 1.00 0.00 C ATOM 1464 O ASN A 95 -7.221 1.435 15.693 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.342 1.205 12.408 1.00 0.00 C ATOM 1466 CG ASN A 95 -6.154 1.139 11.439 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.942 0.054 10.734 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.406 2.089 11.321 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.178 -1.118 12.381 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.018 0.233 13.833 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.259 0.912 11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.484 2.228 12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.567 2.935 11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.618 2.040 10.676 1.00 0.00 H new