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 Single : A 3 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.13) USER MOD Single : A 5 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.4!) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 THR OG1 : rot 77:sc= 0.604 USER MOD Single : A 9 ASN : amide:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc=-0.00413 (180deg=-0.0882) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 167:sc= -1.08! USER MOD Single : A 41 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.51) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 47 SER OG : rot -70:sc= 0.211 USER MOD Single : A 54 SER OG : rot 87:sc= 0.00607 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -3.3 K(o=-3.3,f=-10!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.29) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.115 (180deg=-0.583) 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= -2.51! C(o=-3.5!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.328 5.722 -15.204 1.00 0.00 N ATOM 32 CA GLN A 3 -5.767 4.519 -14.435 1.00 0.00 C ATOM 33 C GLN A 3 -6.183 4.918 -13.009 1.00 0.00 C ATOM 34 O GLN A 3 -5.897 4.212 -12.061 1.00 0.00 O ATOM 35 CB GLN A 3 -4.541 3.604 -14.400 1.00 0.00 C ATOM 36 CG GLN A 3 -4.168 3.185 -15.825 1.00 0.00 C ATOM 37 CD GLN A 3 -5.307 2.356 -16.437 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.819 2.698 -17.484 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.729 1.275 -15.830 1.00 0.00 N ATOM 0 HA GLN A 3 -6.629 4.031 -14.890 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.703 4.120 -13.932 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.751 2.722 -13.795 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.979 4.068 -16.436 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.247 2.602 -15.813 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.302 0.984 -14.951 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.485 0.724 -16.237 1.00 0.00 H new ATOM 48 N GLU A 4 -6.857 6.041 -12.845 1.00 0.00 N ATOM 49 CA GLU A 4 -7.284 6.457 -11.457 1.00 0.00 C ATOM 50 C GLU A 4 -8.184 5.377 -10.840 1.00 0.00 C ATOM 51 O GLU A 4 -8.073 5.072 -9.667 1.00 0.00 O ATOM 52 CB GLU A 4 -8.062 7.775 -11.603 1.00 0.00 C ATOM 53 CG GLU A 4 -7.089 8.907 -11.939 1.00 0.00 C ATOM 54 CD GLU A 4 -7.705 10.247 -11.532 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.684 10.637 -12.147 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.188 10.860 -10.613 1.00 0.00 O ATOM 0 H GLU A 4 -7.126 6.677 -13.595 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.421 6.587 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.813 7.682 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.594 8.000 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.144 8.756 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.867 8.906 -13.006 1.00 0.00 H new ATOM 63 N GLN A 5 -9.066 4.778 -11.620 1.00 0.00 N ATOM 64 CA GLN A 5 -9.959 3.696 -11.053 1.00 0.00 C ATOM 65 C GLN A 5 -9.089 2.599 -10.416 1.00 0.00 C ATOM 66 O GLN A 5 -9.392 2.109 -9.344 1.00 0.00 O ATOM 67 CB GLN A 5 -10.774 3.136 -12.239 1.00 0.00 C ATOM 68 CG GLN A 5 -11.607 1.924 -11.795 1.00 0.00 C ATOM 69 CD GLN A 5 -13.057 2.083 -12.273 1.00 0.00 C ATOM 70 OE1 GLN A 5 -13.310 2.754 -13.252 1.00 0.00 O ATOM 71 NE2 GLN A 5 -14.030 1.489 -11.623 1.00 0.00 N ATOM 0 H GLN A 5 -9.207 4.985 -12.609 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.625 4.079 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.431 3.911 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.101 2.846 -13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.179 1.008 -12.203 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.581 1.832 -10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.823 0.924 -10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.994 1.592 -11.941 1.00 0.00 H new ATOM 80 N TYR A 6 -7.995 2.241 -11.050 1.00 0.00 N ATOM 81 CA TYR A 6 -7.093 1.206 -10.443 1.00 0.00 C ATOM 82 C TYR A 6 -6.316 1.857 -9.290 1.00 0.00 C ATOM 83 O TYR A 6 -6.110 1.253 -8.255 1.00 0.00 O ATOM 84 CB TYR A 6 -6.139 0.738 -11.553 1.00 0.00 C ATOM 85 CG TYR A 6 -6.855 -0.247 -12.449 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.796 0.210 -13.381 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.583 -1.617 -12.344 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.463 -0.701 -14.206 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.249 -2.528 -13.171 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.191 -2.070 -14.102 1.00 0.00 C ATOM 91 OH TYR A 6 -8.849 -2.970 -14.916 1.00 0.00 O ATOM 0 H TYR A 6 -7.690 2.614 -11.949 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.647 0.354 -10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.794 1.592 -12.136 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.255 0.273 -11.116 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.006 1.266 -13.462 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.859 -1.970 -11.625 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.189 -0.348 -14.924 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.037 -3.584 -13.092 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.073 -2.539 -15.767 1.00 0.00 H new ATOM 101 N THR A 7 -5.902 3.101 -9.453 1.00 0.00 N ATOM 102 CA THR A 7 -5.159 3.794 -8.344 1.00 0.00 C ATOM 103 C THR A 7 -6.075 3.935 -7.119 1.00 0.00 C ATOM 104 O THR A 7 -5.638 3.764 -5.996 1.00 0.00 O ATOM 105 CB THR A 7 -4.771 5.186 -8.881 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.948 5.033 -10.028 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.014 5.982 -7.813 1.00 0.00 C ATOM 0 H THR A 7 -6.045 3.658 -10.296 1.00 0.00 H new ATOM 0 HA THR A 7 -4.276 3.232 -8.041 1.00 0.00 H new ATOM 0 HB THR A 7 -5.679 5.729 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.502 4.784 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.748 6.962 -8.210 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.647 6.106 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.107 5.445 -7.534 1.00 0.00 H new ATOM 115 N GLU A 8 -7.343 4.241 -7.320 1.00 0.00 N ATOM 116 CA GLU A 8 -8.263 4.380 -6.137 1.00 0.00 C ATOM 117 C GLU A 8 -8.462 3.012 -5.476 1.00 0.00 C ATOM 118 O GLU A 8 -8.466 2.904 -4.264 1.00 0.00 O ATOM 119 CB GLU A 8 -9.600 4.924 -6.667 1.00 0.00 C ATOM 120 CG GLU A 8 -9.454 6.412 -6.990 1.00 0.00 C ATOM 121 CD GLU A 8 -10.805 7.108 -6.811 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.378 6.980 -5.742 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.243 7.757 -7.747 1.00 0.00 O ATOM 0 H GLU A 8 -7.772 4.397 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.848 5.055 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.900 4.375 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.384 4.778 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.710 6.866 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.100 6.540 -8.013 1.00 0.00 H new ATOM 130 N ASN A 9 -8.604 1.963 -6.257 1.00 0.00 N ATOM 131 CA ASN A 9 -8.774 0.602 -5.639 1.00 0.00 C ATOM 132 C ASN A 9 -7.429 0.148 -5.061 1.00 0.00 C ATOM 133 O ASN A 9 -7.374 -0.403 -3.977 1.00 0.00 O ATOM 134 CB ASN A 9 -9.233 -0.348 -6.756 1.00 0.00 C ATOM 135 CG ASN A 9 -10.662 0.013 -7.178 1.00 0.00 C ATOM 136 OD1 ASN A 9 -10.909 1.110 -7.639 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.626 -0.866 -7.041 1.00 0.00 N ATOM 0 H ASN A 9 -8.610 1.986 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.507 0.612 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.560 -0.274 -7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.195 -1.380 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.577 -0.627 -7.321 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.424 -1.788 -6.655 1.00 0.00 H new ATOM 144 N LEU A 10 -6.340 0.392 -5.763 1.00 0.00 N ATOM 145 CA LEU A 10 -5.001 -0.017 -5.214 1.00 0.00 C ATOM 146 C LEU A 10 -4.707 0.778 -3.938 1.00 0.00 C ATOM 147 O LEU A 10 -4.176 0.242 -2.983 1.00 0.00 O ATOM 148 CB LEU A 10 -3.946 0.298 -6.289 1.00 0.00 C ATOM 149 CG LEU A 10 -3.664 -0.959 -7.115 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.694 -0.619 -8.248 1.00 0.00 C ATOM 151 CD2 LEU A 10 -3.042 -2.030 -6.215 1.00 0.00 C ATOM 0 H LEU A 10 -6.320 0.848 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.987 -1.079 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.301 1.099 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.028 0.651 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.597 -1.334 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.493 -1.514 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.136 0.144 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.761 -0.244 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.840 -2.926 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.109 -1.655 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.733 -2.273 -5.408 1.00 0.00 H new ATOM 163 N LYS A 11 -5.055 2.051 -3.901 1.00 0.00 N ATOM 164 CA LYS A 11 -4.788 2.858 -2.656 1.00 0.00 C ATOM 165 C LYS A 11 -5.469 2.210 -1.438 1.00 0.00 C ATOM 166 O LYS A 11 -4.978 2.319 -0.329 1.00 0.00 O ATOM 167 CB LYS A 11 -5.364 4.263 -2.901 1.00 0.00 C ATOM 168 CG LYS A 11 -4.991 5.178 -1.734 1.00 0.00 C ATOM 169 CD LYS A 11 -6.089 6.224 -1.535 1.00 0.00 C ATOM 170 CE LYS A 11 -7.089 5.725 -0.489 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.451 6.024 0.823 1.00 0.00 N ATOM 0 H LYS A 11 -5.504 2.558 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.719 2.904 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.975 4.669 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.448 4.210 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.864 4.591 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.038 5.669 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.651 7.169 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.599 6.415 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.049 6.232 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.279 4.658 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.633 5.242 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.425 6.136 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.849 6.904 1.210 1.00 0.00 H new ATOM 185 N VAL A 12 -6.583 1.524 -1.625 1.00 0.00 N ATOM 186 CA VAL A 12 -7.248 0.870 -0.446 1.00 0.00 C ATOM 187 C VAL A 12 -6.452 -0.380 -0.056 1.00 0.00 C ATOM 188 O VAL A 12 -6.128 -0.577 1.101 1.00 0.00 O ATOM 189 CB VAL A 12 -8.673 0.494 -0.893 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.391 -0.252 0.234 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.449 1.768 -1.234 1.00 0.00 C ATOM 0 H VAL A 12 -7.049 1.392 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.287 1.530 0.420 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.617 -0.150 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.398 -0.515 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.839 -1.160 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.447 0.387 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.458 1.505 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.500 2.409 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.942 2.298 -2.040 1.00 0.00 H new ATOM 201 N ILE A 13 -6.123 -1.218 -1.013 1.00 0.00 N ATOM 202 CA ILE A 13 -5.327 -2.447 -0.675 1.00 0.00 C ATOM 203 C ILE A 13 -3.938 -2.035 -0.161 1.00 0.00 C ATOM 204 O ILE A 13 -3.404 -2.656 0.741 1.00 0.00 O ATOM 205 CB ILE A 13 -5.211 -3.276 -1.966 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.622 -3.635 -2.471 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.426 -4.560 -1.680 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.730 -3.344 -3.971 1.00 0.00 C ATOM 0 H ILE A 13 -6.366 -1.109 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.809 -3.034 0.107 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.689 -2.696 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.829 -4.688 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.370 -3.060 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.344 -5.147 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.429 -4.305 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.946 -5.143 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.730 -3.600 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.543 -2.285 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.994 -3.939 -4.511 1.00 0.00 H new ATOM 220 N VAL A 14 -3.353 -0.983 -0.705 1.00 0.00 N ATOM 221 CA VAL A 14 -2.002 -0.546 -0.202 1.00 0.00 C ATOM 222 C VAL A 14 -2.128 -0.129 1.273 1.00 0.00 C ATOM 223 O VAL A 14 -1.280 -0.453 2.085 1.00 0.00 O ATOM 224 CB VAL A 14 -1.568 0.650 -1.069 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.202 1.163 -0.600 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.471 0.207 -2.535 1.00 0.00 C ATOM 0 H VAL A 14 -3.744 -0.419 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.266 -1.347 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.303 1.449 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.100 2.009 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.270 1.479 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.536 0.366 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.164 1.052 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.737 -0.594 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.443 -0.153 -2.871 1.00 0.00 H new ATOM 236 N ALA A 15 -3.186 0.574 1.632 1.00 0.00 N ATOM 237 CA ALA A 15 -3.352 0.983 3.074 1.00 0.00 C ATOM 238 C ALA A 15 -3.472 -0.267 3.964 1.00 0.00 C ATOM 239 O ALA A 15 -3.010 -0.271 5.090 1.00 0.00 O ATOM 240 CB ALA A 15 -4.642 1.817 3.156 1.00 0.00 C ATOM 0 H ALA A 15 -3.929 0.878 1.002 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.494 1.559 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.804 2.136 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.550 2.693 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.487 1.213 2.826 1.00 0.00 H new ATOM 246 N GLU A 16 -4.085 -1.335 3.477 1.00 0.00 N ATOM 247 CA GLU A 16 -4.216 -2.580 4.323 1.00 0.00 C ATOM 248 C GLU A 16 -2.835 -3.031 4.831 1.00 0.00 C ATOM 249 O GLU A 16 -2.708 -3.494 5.949 1.00 0.00 O ATOM 250 CB GLU A 16 -4.818 -3.668 3.418 1.00 0.00 C ATOM 251 CG GLU A 16 -5.350 -4.815 4.279 1.00 0.00 C ATOM 252 CD GLU A 16 -5.428 -6.091 3.439 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.566 -6.275 2.595 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.347 -6.864 3.653 1.00 0.00 O ATOM 0 H GLU A 16 -4.494 -1.398 2.545 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.846 -2.392 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.623 -3.249 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.062 -4.039 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.697 -4.972 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.336 -4.563 4.670 1.00 0.00 H new ATOM 261 N LYS A 17 -1.798 -2.891 4.027 1.00 0.00 N ATOM 262 CA LYS A 17 -0.432 -3.312 4.501 1.00 0.00 C ATOM 263 C LYS A 17 0.205 -2.174 5.309 1.00 0.00 C ATOM 264 O LYS A 17 0.788 -2.405 6.351 1.00 0.00 O ATOM 265 CB LYS A 17 0.406 -3.616 3.247 1.00 0.00 C ATOM 266 CG LYS A 17 0.386 -5.123 2.974 1.00 0.00 C ATOM 267 CD LYS A 17 1.177 -5.862 4.066 1.00 0.00 C ATOM 268 CE LYS A 17 0.264 -6.861 4.787 1.00 0.00 C ATOM 269 NZ LYS A 17 0.605 -8.186 4.199 1.00 0.00 N ATOM 0 H LYS A 17 -1.836 -2.511 3.081 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.488 -4.190 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.007 -3.075 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.431 -3.275 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.642 -5.484 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.819 -5.330 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.024 -6.385 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.583 -5.146 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.438 -6.850 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.787 -6.619 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.021 -8.923 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.423 -8.169 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.610 -8.393 4.368 1.00 0.00 H new ATOM 283 N LEU A 18 0.089 -0.942 4.850 1.00 0.00 N ATOM 284 CA LEU A 18 0.689 0.198 5.628 1.00 0.00 C ATOM 285 C LEU A 18 -0.043 0.333 6.969 1.00 0.00 C ATOM 286 O LEU A 18 0.571 0.302 8.019 1.00 0.00 O ATOM 287 CB LEU A 18 0.491 1.465 4.783 1.00 0.00 C ATOM 288 CG LEU A 18 1.291 1.342 3.490 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.675 2.247 2.422 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.739 1.762 3.751 1.00 0.00 C ATOM 0 H LEU A 18 -0.386 -0.681 3.986 1.00 0.00 H new ATOM 0 HA LEU A 18 1.747 0.034 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.566 1.603 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.815 2.343 5.342 1.00 0.00 H new ATOM 0 HG LEU A 18 1.270 0.310 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.246 2.160 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.357 1.946 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.696 3.281 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.315 1.676 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.761 2.795 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.174 1.115 4.512 1.00 0.00 H new ATOM 302 N ALA A 19 -1.356 0.463 6.944 1.00 0.00 N ATOM 303 CA ALA A 19 -2.114 0.577 8.240 1.00 0.00 C ATOM 304 C ALA A 19 -1.901 -0.694 9.086 1.00 0.00 C ATOM 305 O ALA A 19 -1.942 -0.640 10.301 1.00 0.00 O ATOM 306 CB ALA A 19 -3.602 0.727 7.878 1.00 0.00 C ATOM 0 H ALA A 19 -1.926 0.495 6.099 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.768 1.431 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.192 0.813 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.740 1.622 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.930 -0.147 7.316 1.00 0.00 H new ATOM 312 N GLY A 20 -1.675 -1.840 8.461 1.00 0.00 N ATOM 313 CA GLY A 20 -1.466 -3.092 9.246 1.00 0.00 C ATOM 314 C GLY A 20 -0.092 -3.058 9.935 1.00 0.00 C ATOM 315 O GLY A 20 0.045 -3.510 11.056 1.00 0.00 O ATOM 0 H GLY A 20 -1.629 -1.951 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.253 -3.199 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.531 -3.959 8.588 1.00 0.00 H new ATOM 319 N ILE A 21 0.931 -2.532 9.283 1.00 0.00 N ATOM 320 CA ILE A 21 2.292 -2.491 9.941 1.00 0.00 C ATOM 321 C ILE A 21 2.202 -1.734 11.286 1.00 0.00 C ATOM 322 O ILE A 21 2.002 -0.535 11.294 1.00 0.00 O ATOM 323 CB ILE A 21 3.235 -1.756 8.962 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.387 -2.588 7.683 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.617 -1.567 9.601 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.561 -1.663 6.475 1.00 0.00 C ATOM 0 H ILE A 21 0.886 -2.137 8.344 1.00 0.00 H new ATOM 0 HA ILE A 21 2.664 -3.493 10.153 1.00 0.00 H new ATOM 0 HB ILE A 21 2.810 -0.780 8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.248 -3.251 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.510 -3.220 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.273 -1.048 8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.519 -0.978 10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.042 -2.541 9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.668 -2.262 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.687 -1.018 6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.452 -1.050 6.612 1.00 0.00 H new ATOM 338 N PRO A 22 2.351 -2.450 12.384 1.00 0.00 N ATOM 339 CA PRO A 22 2.278 -1.801 13.721 1.00 0.00 C ATOM 340 C PRO A 22 3.508 -0.906 13.992 1.00 0.00 C ATOM 341 O PRO A 22 3.450 -0.025 14.829 1.00 0.00 O ATOM 342 CB PRO A 22 2.241 -2.976 14.694 1.00 0.00 C ATOM 343 CG PRO A 22 2.889 -4.104 13.962 1.00 0.00 C ATOM 344 CD PRO A 22 2.598 -3.899 12.499 1.00 0.00 C ATOM 0 HA PRO A 22 1.415 -1.142 13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.777 -2.743 15.614 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.217 -3.224 14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.964 -4.116 14.144 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.497 -5.062 14.303 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.437 -4.211 11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.732 -4.478 12.179 1.00 0.00 H new ATOM 415 N ASP A 27 3.672 9.401 7.418 1.00 0.00 N ATOM 416 CA ASP A 27 2.185 9.298 7.188 1.00 0.00 C ATOM 417 C ASP A 27 1.829 7.915 6.618 1.00 0.00 C ATOM 418 O ASP A 27 2.586 7.341 5.860 1.00 0.00 O ATOM 419 CB ASP A 27 1.815 10.397 6.180 1.00 0.00 C ATOM 420 CG ASP A 27 0.306 10.643 6.224 1.00 0.00 C ATOM 421 OD1 ASP A 27 -0.434 9.673 6.193 1.00 0.00 O ATOM 422 OD2 ASP A 27 -0.085 11.797 6.289 1.00 0.00 O ATOM 0 HA ASP A 27 1.636 9.422 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.351 11.316 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.117 10.100 5.175 1.00 0.00 H new ATOM 427 N ILE A 28 0.681 7.375 6.977 1.00 0.00 N ATOM 428 CA ILE A 28 0.287 6.026 6.446 1.00 0.00 C ATOM 429 C ILE A 28 -0.704 6.165 5.271 1.00 0.00 C ATOM 430 O ILE A 28 -0.672 5.373 4.349 1.00 0.00 O ATOM 431 CB ILE A 28 -0.317 5.264 7.651 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.454 3.761 7.322 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.682 5.844 8.052 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.515 3.513 6.237 1.00 0.00 C ATOM 0 H ILE A 28 0.007 7.807 7.609 1.00 0.00 H new ATOM 0 HA ILE A 28 1.137 5.479 6.037 1.00 0.00 H new ATOM 0 HB ILE A 28 0.362 5.384 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.508 3.372 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.722 3.213 8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.079 5.287 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.565 6.892 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.372 5.765 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.583 2.445 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.482 3.878 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.233 4.040 5.325 1.00 0.00 H new ATOM 446 N LYS A 29 -1.566 7.158 5.277 1.00 0.00 N ATOM 447 CA LYS A 29 -2.516 7.314 4.122 1.00 0.00 C ATOM 448 C LYS A 29 -1.795 8.038 2.977 1.00 0.00 C ATOM 449 O LYS A 29 -1.968 7.696 1.821 1.00 0.00 O ATOM 450 CB LYS A 29 -3.704 8.146 4.630 1.00 0.00 C ATOM 451 CG LYS A 29 -4.711 7.227 5.325 1.00 0.00 C ATOM 452 CD LYS A 29 -6.125 7.777 5.127 1.00 0.00 C ATOM 453 CE LYS A 29 -6.343 8.974 6.055 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.822 9.124 6.146 1.00 0.00 N ATOM 0 H LYS A 29 -1.654 7.856 6.016 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.864 6.351 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.355 8.911 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.182 8.663 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.641 6.219 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.482 7.157 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.267 8.078 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.861 7.001 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.903 8.798 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.878 9.875 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.052 9.926 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.212 9.297 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.236 8.254 6.537 1.00 0.00 H new ATOM 468 N TYR A 30 -0.967 9.018 3.283 1.00 0.00 N ATOM 469 CA TYR A 30 -0.223 9.728 2.188 1.00 0.00 C ATOM 470 C TYR A 30 0.863 8.812 1.599 1.00 0.00 C ATOM 471 O TYR A 30 1.204 8.936 0.436 1.00 0.00 O ATOM 472 CB TYR A 30 0.417 10.976 2.818 1.00 0.00 C ATOM 473 CG TYR A 30 1.015 11.838 1.733 1.00 0.00 C ATOM 474 CD1 TYR A 30 0.179 12.519 0.840 1.00 0.00 C ATOM 475 CD2 TYR A 30 2.405 11.958 1.619 1.00 0.00 C ATOM 476 CE1 TYR A 30 0.733 13.318 -0.167 1.00 0.00 C ATOM 477 CE2 TYR A 30 2.960 12.758 0.613 1.00 0.00 C ATOM 478 CZ TYR A 30 2.124 13.438 -0.280 1.00 0.00 C ATOM 479 OH TYR A 30 2.669 14.226 -1.273 1.00 0.00 O ATOM 0 H TYR A 30 -0.778 9.351 4.228 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.896 10.003 1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.332 11.540 3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.188 10.682 3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.894 12.428 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.050 11.433 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.088 13.842 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.033 12.850 0.526 1.00 0.00 H new ATOM 0 HH TYR A 30 3.647 14.201 -1.211 1.00 0.00 H new ATOM 489 N VAL A 31 1.412 7.887 2.372 1.00 0.00 N ATOM 490 CA VAL A 31 2.469 6.983 1.796 1.00 0.00 C ATOM 491 C VAL A 31 1.845 5.975 0.804 1.00 0.00 C ATOM 492 O VAL A 31 2.506 5.539 -0.121 1.00 0.00 O ATOM 493 CB VAL A 31 3.166 6.279 2.993 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.307 5.134 3.549 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.528 5.725 2.540 1.00 0.00 C ATOM 0 H VAL A 31 1.179 7.724 3.352 1.00 0.00 H new ATOM 0 HA VAL A 31 3.205 7.548 1.224 1.00 0.00 H new ATOM 0 HB VAL A 31 3.304 7.015 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.825 4.664 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.351 5.530 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.135 4.395 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.017 5.231 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.379 5.007 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.154 6.544 2.186 1.00 0.00 H new ATOM 505 N ALA A 32 0.582 5.613 0.966 1.00 0.00 N ATOM 506 CA ALA A 32 -0.039 4.648 -0.011 1.00 0.00 C ATOM 507 C ALA A 32 -0.235 5.341 -1.369 1.00 0.00 C ATOM 508 O ALA A 32 -0.057 4.730 -2.407 1.00 0.00 O ATOM 509 CB ALA A 32 -1.397 4.230 0.576 1.00 0.00 C ATOM 0 H ALA A 32 -0.031 5.936 1.715 1.00 0.00 H new ATOM 0 HA ALA A 32 0.598 3.777 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.885 3.528 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.244 3.754 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.026 5.111 0.701 1.00 0.00 H new ATOM 515 N GLU A 33 -0.589 6.614 -1.378 1.00 0.00 N ATOM 516 CA GLU A 33 -0.777 7.325 -2.696 1.00 0.00 C ATOM 517 C GLU A 33 0.534 7.289 -3.490 1.00 0.00 C ATOM 518 O GLU A 33 0.541 6.973 -4.665 1.00 0.00 O ATOM 519 CB GLU A 33 -1.164 8.778 -2.372 1.00 0.00 C ATOM 520 CG GLU A 33 -2.597 8.818 -1.836 1.00 0.00 C ATOM 521 CD GLU A 33 -3.227 10.173 -2.167 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.078 10.614 -3.293 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.847 10.745 -1.286 1.00 0.00 O ATOM 0 H GLU A 33 -0.753 7.182 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.550 6.847 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.477 9.193 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.082 9.395 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.185 8.014 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.598 8.658 -0.758 1.00 0.00 H new ATOM 530 N TYR A 34 1.648 7.584 -2.854 1.00 0.00 N ATOM 531 CA TYR A 34 2.959 7.532 -3.595 1.00 0.00 C ATOM 532 C TYR A 34 3.226 6.082 -4.024 1.00 0.00 C ATOM 533 O TYR A 34 3.679 5.832 -5.126 1.00 0.00 O ATOM 534 CB TYR A 34 4.046 8.027 -2.619 1.00 0.00 C ATOM 535 CG TYR A 34 5.438 7.927 -3.231 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.636 7.994 -4.625 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.543 7.780 -2.385 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.929 7.912 -5.155 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.834 7.702 -2.916 1.00 0.00 C ATOM 540 CZ TYR A 34 8.028 7.768 -4.300 1.00 0.00 C ATOM 541 OH TYR A 34 9.303 7.694 -4.820 1.00 0.00 O ATOM 0 H TYR A 34 1.709 7.854 -1.872 1.00 0.00 H new ATOM 0 HA TYR A 34 2.950 8.155 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.843 9.062 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.008 7.438 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.789 8.109 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.398 7.727 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.079 7.960 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.682 7.591 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 34 9.957 7.805 -4.099 1.00 0.00 H new ATOM 551 N ILE A 35 2.926 5.120 -3.172 1.00 0.00 N ATOM 552 CA ILE A 35 3.146 3.681 -3.561 1.00 0.00 C ATOM 553 C ILE A 35 2.291 3.369 -4.801 1.00 0.00 C ATOM 554 O ILE A 35 2.781 2.824 -5.772 1.00 0.00 O ATOM 555 CB ILE A 35 2.714 2.834 -2.344 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.700 3.072 -1.199 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.708 1.343 -2.696 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.085 2.593 0.117 1.00 0.00 C ATOM 0 H ILE A 35 2.544 5.266 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 35 4.184 3.466 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 35 1.707 3.129 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.632 2.540 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.946 4.132 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.401 0.765 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.010 1.165 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.709 1.037 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.789 2.764 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.165 3.145 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.861 1.528 0.048 1.00 0.00 H new ATOM 570 N VAL A 36 1.028 3.743 -4.788 1.00 0.00 N ATOM 571 CA VAL A 36 0.172 3.489 -6.000 1.00 0.00 C ATOM 572 C VAL A 36 0.716 4.321 -7.170 1.00 0.00 C ATOM 573 O VAL A 36 0.775 3.852 -8.291 1.00 0.00 O ATOM 574 CB VAL A 36 -1.259 3.928 -5.647 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.182 3.679 -6.844 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.761 3.122 -4.444 1.00 0.00 C ATOM 0 H VAL A 36 0.560 4.204 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 36 0.180 2.438 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.259 4.990 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.196 3.990 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.828 4.252 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.179 2.617 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.775 3.434 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.758 2.060 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.107 3.298 -3.590 1.00 0.00 H new ATOM 586 N LEU A 37 1.135 5.551 -6.919 1.00 0.00 N ATOM 587 CA LEU A 37 1.698 6.393 -8.038 1.00 0.00 C ATOM 588 C LEU A 37 2.874 5.647 -8.687 1.00 0.00 C ATOM 589 O LEU A 37 2.998 5.615 -9.894 1.00 0.00 O ATOM 590 CB LEU A 37 2.184 7.711 -7.411 1.00 0.00 C ATOM 591 CG LEU A 37 2.068 8.838 -8.438 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.722 9.544 -8.271 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.201 9.844 -8.221 1.00 0.00 C ATOM 0 H LEU A 37 1.112 6.001 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 37 0.950 6.590 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.590 7.947 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.218 7.610 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 37 2.138 8.422 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.639 10.347 -9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.086 8.828 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.652 9.960 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.119 10.648 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.131 10.260 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.161 9.342 -8.340 1.00 0.00 H new ATOM 605 N LEU A 38 3.719 5.014 -7.896 1.00 0.00 N ATOM 606 CA LEU A 38 4.849 4.236 -8.509 1.00 0.00 C ATOM 607 C LEU A 38 4.256 3.035 -9.268 1.00 0.00 C ATOM 608 O LEU A 38 4.716 2.678 -10.335 1.00 0.00 O ATOM 609 CB LEU A 38 5.743 3.750 -7.354 1.00 0.00 C ATOM 610 CG LEU A 38 6.341 4.952 -6.623 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.749 4.538 -5.209 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.573 5.448 -7.384 1.00 0.00 C ATOM 0 H LEU A 38 3.677 5.002 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 38 5.431 4.841 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.160 3.144 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.540 3.114 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 38 5.600 5.750 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.175 5.395 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.873 4.183 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.490 3.741 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.001 6.305 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.313 4.650 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.283 5.743 -8.393 1.00 0.00 H new ATOM 624 N ILE A 39 3.222 2.419 -8.725 1.00 0.00 N ATOM 625 CA ILE A 39 2.582 1.248 -9.422 1.00 0.00 C ATOM 626 C ILE A 39 1.939 1.720 -10.738 1.00 0.00 C ATOM 627 O ILE A 39 2.150 1.125 -11.779 1.00 0.00 O ATOM 628 CB ILE A 39 1.509 0.712 -8.444 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.201 0.124 -7.198 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.629 -0.355 -9.115 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.949 -1.168 -7.550 1.00 0.00 C ATOM 0 H ILE A 39 2.797 2.676 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 39 3.304 0.471 -9.674 1.00 0.00 H new ATOM 0 HB ILE A 39 0.863 1.539 -8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.899 0.853 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.459 -0.079 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.115 -0.713 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.126 0.079 -9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.252 -1.189 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.430 -1.565 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.244 -1.902 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.706 -0.956 -8.305 1.00 0.00 H new ATOM 643 N VAL A 40 1.157 2.778 -10.701 1.00 0.00 N ATOM 644 CA VAL A 40 0.511 3.264 -11.974 1.00 0.00 C ATOM 645 C VAL A 40 1.582 3.686 -13.011 1.00 0.00 C ATOM 646 O VAL A 40 1.328 3.661 -14.201 1.00 0.00 O ATOM 647 CB VAL A 40 -0.428 4.440 -11.586 1.00 0.00 C ATOM 648 CG1 VAL A 40 0.343 5.764 -11.431 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.501 4.599 -12.669 1.00 0.00 C ATOM 0 H VAL A 40 0.939 3.318 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.067 2.472 -12.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.883 4.207 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.351 6.560 -11.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.096 5.657 -10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.830 6.014 -12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.165 5.422 -12.405 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.024 4.810 -13.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.079 3.678 -12.747 1.00 0.00 H new ATOM 659 N ASN A 41 2.772 4.070 -12.577 1.00 0.00 N ATOM 660 CA ASN A 41 3.825 4.483 -13.571 1.00 0.00 C ATOM 661 C ASN A 41 4.373 3.257 -14.317 1.00 0.00 C ATOM 662 O ASN A 41 4.669 3.336 -15.495 1.00 0.00 O ATOM 663 CB ASN A 41 4.948 5.164 -12.772 1.00 0.00 C ATOM 664 CG ASN A 41 4.599 6.643 -12.558 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.388 7.368 -13.508 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.529 7.129 -11.341 1.00 0.00 N ATOM 0 H ASN A 41 3.053 4.114 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 41 3.408 5.159 -14.317 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.078 4.667 -11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.894 5.076 -13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.298 8.112 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.705 6.524 -10.539 1.00 0.00 H new ATOM 673 N GLY A 42 4.516 2.127 -13.653 1.00 0.00 N ATOM 674 CA GLY A 42 5.054 0.918 -14.360 1.00 0.00 C ATOM 675 C GLY A 42 4.778 -0.352 -13.541 1.00 0.00 C ATOM 676 O GLY A 42 4.183 -1.294 -14.034 1.00 0.00 O ATOM 0 H GLY A 42 4.287 1.993 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.594 0.830 -15.344 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.127 1.030 -14.519 1.00 0.00 H new ATOM 680 N GLY A 43 5.207 -0.391 -12.299 1.00 0.00 N ATOM 681 CA GLY A 43 4.969 -1.603 -11.463 1.00 0.00 C ATOM 682 C GLY A 43 6.271 -2.408 -11.345 1.00 0.00 C ATOM 683 O GLY A 43 6.289 -3.600 -11.585 1.00 0.00 O ATOM 0 H GLY A 43 5.710 0.365 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.618 -1.312 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.188 -2.218 -11.910 1.00 0.00 H new ATOM 687 N THR A 44 7.359 -1.771 -10.964 1.00 0.00 N ATOM 688 CA THR A 44 8.651 -2.505 -10.816 1.00 0.00 C ATOM 689 C THR A 44 9.055 -2.504 -9.334 1.00 0.00 C ATOM 690 O THR A 44 9.453 -1.488 -8.801 1.00 0.00 O ATOM 691 CB THR A 44 9.653 -1.724 -11.667 1.00 0.00 C ATOM 692 OG1 THR A 44 9.395 -0.330 -11.534 1.00 0.00 O ATOM 693 CG2 THR A 44 9.502 -2.138 -13.135 1.00 0.00 C ATOM 0 H THR A 44 7.402 -0.775 -10.751 1.00 0.00 H new ATOM 0 HA THR A 44 8.596 -3.545 -11.137 1.00 0.00 H new ATOM 0 HB THR A 44 10.668 -1.939 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.036 0.175 -12.077 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.215 -1.583 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.695 -3.206 -13.233 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.489 -1.919 -13.472 1.00 0.00 H new ATOM 701 N VAL A 45 8.922 -3.629 -8.651 1.00 0.00 N ATOM 702 CA VAL A 45 9.267 -3.669 -7.176 1.00 0.00 C ATOM 703 C VAL A 45 10.650 -3.044 -6.906 1.00 0.00 C ATOM 704 O VAL A 45 10.846 -2.404 -5.890 1.00 0.00 O ATOM 705 CB VAL A 45 9.246 -5.154 -6.748 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.644 -5.281 -5.272 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.832 -5.717 -6.927 1.00 0.00 C ATOM 0 H VAL A 45 8.594 -4.512 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 45 8.545 -3.087 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 45 9.952 -5.709 -7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.626 -6.331 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.648 -4.882 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.941 -4.721 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.816 -6.764 -6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.134 -5.151 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.538 -5.636 -7.974 1.00 0.00 H new ATOM 717 N GLU A 46 11.603 -3.208 -7.796 1.00 0.00 N ATOM 718 CA GLU A 46 12.955 -2.594 -7.541 1.00 0.00 C ATOM 719 C GLU A 46 12.846 -1.067 -7.614 1.00 0.00 C ATOM 720 O GLU A 46 13.190 -0.378 -6.671 1.00 0.00 O ATOM 721 CB GLU A 46 13.903 -3.121 -8.630 1.00 0.00 C ATOM 722 CG GLU A 46 15.350 -2.818 -8.238 1.00 0.00 C ATOM 723 CD GLU A 46 15.885 -3.941 -7.349 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.425 -4.893 -7.888 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.745 -3.831 -6.141 1.00 0.00 O ATOM 0 H GLU A 46 11.511 -3.727 -8.669 1.00 0.00 H new ATOM 0 HA GLU A 46 13.331 -2.857 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.767 -4.195 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.669 -2.655 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.967 -2.722 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.403 -1.866 -7.710 1.00 0.00 H new ATOM 732 N SER A 47 12.353 -0.529 -8.710 1.00 0.00 N ATOM 733 CA SER A 47 12.212 0.967 -8.794 1.00 0.00 C ATOM 734 C SER A 47 11.155 1.446 -7.787 1.00 0.00 C ATOM 735 O SER A 47 11.284 2.512 -7.215 1.00 0.00 O ATOM 736 CB SER A 47 11.772 1.299 -10.227 1.00 0.00 C ATOM 737 OG SER A 47 12.359 2.530 -10.626 1.00 0.00 O ATOM 0 H SER A 47 12.048 -1.047 -9.534 1.00 0.00 H new ATOM 0 HA SER A 47 13.152 1.465 -8.557 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.074 0.502 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.685 1.367 -10.279 1.00 0.00 H new ATOM 0 HG SER A 47 11.944 3.266 -10.130 1.00 0.00 H new ATOM 743 N VAL A 48 10.112 0.670 -7.555 1.00 0.00 N ATOM 744 CA VAL A 48 9.062 1.105 -6.566 1.00 0.00 C ATOM 745 C VAL A 48 9.633 1.067 -5.141 1.00 0.00 C ATOM 746 O VAL A 48 9.333 1.929 -4.336 1.00 0.00 O ATOM 747 CB VAL A 48 7.875 0.132 -6.706 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.751 0.554 -5.755 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.354 0.158 -8.149 1.00 0.00 C ATOM 0 H VAL A 48 9.944 -0.232 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 48 8.739 2.127 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 48 8.206 -0.876 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.912 -0.135 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.116 0.534 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.423 1.563 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.515 -0.531 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.026 1.167 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.151 -0.144 -8.829 1.00 0.00 H new ATOM 759 N VAL A 49 10.469 0.096 -4.819 1.00 0.00 N ATOM 760 CA VAL A 49 11.056 0.066 -3.431 1.00 0.00 C ATOM 761 C VAL A 49 12.148 1.145 -3.331 1.00 0.00 C ATOM 762 O VAL A 49 12.263 1.820 -2.324 1.00 0.00 O ATOM 763 CB VAL A 49 11.636 -1.349 -3.218 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.394 -1.414 -1.886 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.490 -2.365 -3.191 1.00 0.00 C ATOM 0 H VAL A 49 10.764 -0.658 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 49 10.311 0.275 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 49 12.322 -1.579 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.799 -2.416 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.210 -0.691 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.713 -1.180 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.895 -3.366 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.808 -2.123 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.950 -2.330 -4.137 1.00 0.00 H new ATOM 775 N ASP A 50 12.939 1.327 -4.369 1.00 0.00 N ATOM 776 CA ASP A 50 14.003 2.389 -4.315 1.00 0.00 C ATOM 777 C ASP A 50 13.353 3.783 -4.291 1.00 0.00 C ATOM 778 O ASP A 50 13.845 4.682 -3.635 1.00 0.00 O ATOM 779 CB ASP A 50 14.864 2.225 -5.579 1.00 0.00 C ATOM 780 CG ASP A 50 16.145 3.048 -5.434 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.089 4.244 -5.676 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.161 2.471 -5.083 1.00 0.00 O ATOM 0 H ASP A 50 12.896 0.795 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 50 14.612 2.289 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.110 1.174 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.306 2.552 -6.457 1.00 0.00 H new ATOM 787 N GLU A 51 12.246 3.973 -4.989 1.00 0.00 N ATOM 788 CA GLU A 51 11.586 5.330 -4.972 1.00 0.00 C ATOM 789 C GLU A 51 10.989 5.596 -3.583 1.00 0.00 C ATOM 790 O GLU A 51 11.093 6.692 -3.065 1.00 0.00 O ATOM 791 CB GLU A 51 10.472 5.320 -6.041 1.00 0.00 C ATOM 792 CG GLU A 51 10.909 6.156 -7.248 1.00 0.00 C ATOM 793 CD GLU A 51 10.377 5.523 -8.533 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.688 4.368 -8.774 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.668 6.203 -9.256 1.00 0.00 O ATOM 0 H GLU A 51 11.781 3.265 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 51 12.309 6.117 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.262 4.297 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.549 5.722 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.535 7.175 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.997 6.218 -7.285 1.00 0.00 H new ATOM 802 N LEU A 52 10.382 4.603 -2.967 1.00 0.00 N ATOM 803 CA LEU A 52 9.804 4.827 -1.596 1.00 0.00 C ATOM 804 C LEU A 52 10.945 4.994 -0.586 1.00 0.00 C ATOM 805 O LEU A 52 10.880 5.833 0.291 1.00 0.00 O ATOM 806 CB LEU A 52 8.957 3.591 -1.257 1.00 0.00 C ATOM 807 CG LEU A 52 7.785 3.491 -2.234 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.174 2.090 -2.159 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.723 4.530 -1.863 1.00 0.00 C ATOM 0 H LEU A 52 10.263 3.663 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 52 9.189 5.726 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.569 2.691 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.587 3.660 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 52 8.140 3.678 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.339 2.020 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.929 1.349 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.818 1.902 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.887 4.460 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.369 4.342 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.157 5.529 -1.916 1.00 0.00 H new ATOM 821 N ALA A 53 12.000 4.214 -0.709 1.00 0.00 N ATOM 822 CA ALA A 53 13.149 4.363 0.253 1.00 0.00 C ATOM 823 C ALA A 53 13.783 5.753 0.082 1.00 0.00 C ATOM 824 O ALA A 53 14.161 6.385 1.050 1.00 0.00 O ATOM 825 CB ALA A 53 14.169 3.267 -0.094 1.00 0.00 C ATOM 0 H ALA A 53 12.115 3.493 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 53 12.817 4.265 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.022 3.337 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.702 2.288 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.508 3.397 -1.122 1.00 0.00 H new ATOM 831 N SER A 54 13.897 6.240 -1.140 1.00 0.00 N ATOM 832 CA SER A 54 14.505 7.606 -1.347 1.00 0.00 C ATOM 833 C SER A 54 13.711 8.669 -0.569 1.00 0.00 C ATOM 834 O SER A 54 14.281 9.611 -0.050 1.00 0.00 O ATOM 835 CB SER A 54 14.441 7.898 -2.855 1.00 0.00 C ATOM 836 OG SER A 54 15.595 7.361 -3.486 1.00 0.00 O ATOM 0 H SER A 54 13.601 5.760 -1.990 1.00 0.00 H new ATOM 0 HA SER A 54 15.533 7.632 -0.985 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.540 7.459 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.385 8.973 -3.027 1.00 0.00 H new ATOM 0 HG SER A 54 15.435 6.422 -3.717 1.00 0.00 H new ATOM 842 N LEU A 55 12.404 8.525 -0.472 1.00 0.00 N ATOM 843 CA LEU A 55 11.596 9.538 0.292 1.00 0.00 C ATOM 844 C LEU A 55 11.413 9.071 1.743 1.00 0.00 C ATOM 845 O LEU A 55 11.497 9.860 2.667 1.00 0.00 O ATOM 846 CB LEU A 55 10.233 9.640 -0.419 1.00 0.00 C ATOM 847 CG LEU A 55 10.130 10.980 -1.150 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.300 10.806 -2.422 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.453 12.006 -0.237 1.00 0.00 C ATOM 0 H LEU A 55 11.869 7.760 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 55 12.093 10.508 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.119 8.819 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.426 9.548 0.307 1.00 0.00 H new ATOM 0 HG LEU A 55 11.129 11.328 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.227 11.761 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.780 10.074 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.301 10.458 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.379 12.962 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.454 11.657 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.044 12.131 0.671 1.00 0.00 H new ATOM 861 N PHE A 56 11.179 7.793 1.957 1.00 0.00 N ATOM 862 CA PHE A 56 11.009 7.285 3.353 1.00 0.00 C ATOM 863 C PHE A 56 12.278 6.532 3.776 1.00 0.00 C ATOM 864 O PHE A 56 12.283 5.319 3.869 1.00 0.00 O ATOM 865 CB PHE A 56 9.796 6.344 3.313 1.00 0.00 C ATOM 866 CG PHE A 56 8.580 7.102 2.825 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.207 8.305 3.440 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.830 6.604 1.754 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.084 9.006 2.983 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.711 7.307 1.297 1.00 0.00 C ATOM 871 CZ PHE A 56 6.337 8.508 1.911 1.00 0.00 C ATOM 0 H PHE A 56 11.099 7.086 1.226 1.00 0.00 H new ATOM 0 HA PHE A 56 10.851 8.088 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.999 5.500 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.608 5.935 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.785 8.691 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.115 5.676 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.795 9.931 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.134 6.923 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.472 9.050 1.557 1.00 0.00 H new ATOM 881 N ASP A 57 13.357 7.247 4.032 1.00 0.00 N ATOM 882 CA ASP A 57 14.632 6.558 4.450 1.00 0.00 C ATOM 883 C ASP A 57 14.594 6.098 5.927 1.00 0.00 C ATOM 884 O ASP A 57 15.513 5.438 6.375 1.00 0.00 O ATOM 885 CB ASP A 57 15.763 7.579 4.248 1.00 0.00 C ATOM 886 CG ASP A 57 17.026 6.855 3.779 1.00 0.00 C ATOM 887 OD1 ASP A 57 17.324 5.807 4.329 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.675 7.361 2.879 1.00 0.00 O ATOM 0 H ASP A 57 13.411 8.264 3.971 1.00 0.00 H new ATOM 0 HA ASP A 57 14.778 5.658 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.465 8.327 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.960 8.109 5.180 1.00 0.00 H new ATOM 893 N SER A 58 13.558 6.416 6.690 1.00 0.00 N ATOM 894 CA SER A 58 13.526 5.951 8.120 1.00 0.00 C ATOM 895 C SER A 58 12.672 4.673 8.273 1.00 0.00 C ATOM 896 O SER A 58 12.192 4.383 9.353 1.00 0.00 O ATOM 897 CB SER A 58 12.909 7.103 8.921 1.00 0.00 C ATOM 898 OG SER A 58 11.514 7.167 8.653 1.00 0.00 O ATOM 0 H SER A 58 12.753 6.965 6.388 1.00 0.00 H new ATOM 0 HA SER A 58 14.527 5.701 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.080 6.952 9.987 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.386 8.045 8.652 1.00 0.00 H new ATOM 0 HG SER A 58 11.116 7.902 9.165 1.00 0.00 H new ATOM 904 N VAL A 59 12.486 3.896 7.218 1.00 0.00 N ATOM 905 CA VAL A 59 11.677 2.647 7.340 1.00 0.00 C ATOM 906 C VAL A 59 12.521 1.443 6.894 1.00 0.00 C ATOM 907 O VAL A 59 13.390 1.572 6.053 1.00 0.00 O ATOM 908 CB VAL A 59 10.481 2.845 6.403 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.590 1.598 6.429 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.669 4.057 6.865 1.00 0.00 C ATOM 0 H VAL A 59 12.861 4.080 6.288 1.00 0.00 H new ATOM 0 HA VAL A 59 11.354 2.457 8.364 1.00 0.00 H new ATOM 0 HB VAL A 59 10.842 3.009 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.741 1.744 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.166 0.733 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.229 1.430 7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.818 4.200 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.311 3.890 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.299 4.946 6.844 1.00 0.00 H new ATOM 920 N SER A 60 12.269 0.273 7.444 1.00 0.00 N ATOM 921 CA SER A 60 13.074 -0.929 7.026 1.00 0.00 C ATOM 922 C SER A 60 12.708 -1.326 5.588 1.00 0.00 C ATOM 923 O SER A 60 11.552 -1.295 5.211 1.00 0.00 O ATOM 924 CB SER A 60 12.716 -2.064 7.997 1.00 0.00 C ATOM 925 OG SER A 60 12.357 -1.508 9.256 1.00 0.00 O ATOM 0 H SER A 60 11.555 0.099 8.151 1.00 0.00 H new ATOM 0 HA SER A 60 14.143 -0.717 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.890 -2.653 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.563 -2.740 8.113 1.00 0.00 H new ATOM 0 HG SER A 60 12.126 -2.229 9.878 1.00 0.00 H new ATOM 931 N ARG A 61 13.680 -1.703 4.777 1.00 0.00 N ATOM 932 CA ARG A 61 13.363 -2.105 3.353 1.00 0.00 C ATOM 933 C ARG A 61 12.253 -3.172 3.325 1.00 0.00 C ATOM 934 O ARG A 61 11.439 -3.195 2.421 1.00 0.00 O ATOM 935 CB ARG A 61 14.658 -2.682 2.758 1.00 0.00 C ATOM 936 CG ARG A 61 15.434 -1.571 2.040 1.00 0.00 C ATOM 937 CD ARG A 61 16.036 -2.116 0.741 1.00 0.00 C ATOM 938 NE ARG A 61 17.465 -2.383 1.060 1.00 0.00 N ATOM 939 CZ ARG A 61 18.408 -1.790 0.380 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.368 -1.788 -0.925 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.390 -1.200 1.003 1.00 0.00 N ATOM 0 H ARG A 61 14.666 -1.750 5.033 1.00 0.00 H new ATOM 0 HA ARG A 61 13.009 -1.248 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.271 -3.116 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.423 -3.485 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.771 -0.734 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.225 -1.190 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.527 -3.025 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.941 -1.395 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 61 17.707 -3.030 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.600 -2.250 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.105 -1.325 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.422 -1.202 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.127 -0.737 0.471 1.00 0.00 H new ATOM 955 N ASP A 62 12.213 -4.052 4.304 1.00 0.00 N ATOM 956 CA ASP A 62 11.140 -5.111 4.311 1.00 0.00 C ATOM 957 C ASP A 62 9.749 -4.474 4.468 1.00 0.00 C ATOM 958 O ASP A 62 8.786 -4.957 3.903 1.00 0.00 O ATOM 959 CB ASP A 62 11.435 -6.038 5.501 1.00 0.00 C ATOM 960 CG ASP A 62 10.842 -7.421 5.229 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.241 -8.035 4.254 1.00 0.00 O ATOM 962 OD2 ASP A 62 9.998 -7.844 6.002 1.00 0.00 O ATOM 0 H ASP A 62 12.865 -4.085 5.088 1.00 0.00 H new ATOM 0 HA ASP A 62 11.141 -5.664 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.511 -6.116 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.010 -5.622 6.414 1.00 0.00 H new ATOM 967 N THR A 63 9.627 -3.398 5.221 1.00 0.00 N ATOM 968 CA THR A 63 8.271 -2.759 5.382 1.00 0.00 C ATOM 969 C THR A 63 7.847 -2.107 4.059 1.00 0.00 C ATOM 970 O THR A 63 6.701 -2.204 3.660 1.00 0.00 O ATOM 971 CB THR A 63 8.403 -1.699 6.493 1.00 0.00 C ATOM 972 OG1 THR A 63 8.786 -2.335 7.708 1.00 0.00 O ATOM 973 CG2 THR A 63 7.063 -0.987 6.693 1.00 0.00 C ATOM 0 H THR A 63 10.390 -2.942 5.722 1.00 0.00 H new ATOM 0 HA THR A 63 7.513 -3.496 5.647 1.00 0.00 H new ATOM 0 HB THR A 63 9.159 -0.968 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.872 -1.663 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.162 -0.239 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.768 -0.500 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.303 -1.715 6.978 1.00 0.00 H new ATOM 981 N LEU A 64 8.756 -1.452 3.371 1.00 0.00 N ATOM 982 CA LEU A 64 8.374 -0.810 2.065 1.00 0.00 C ATOM 983 C LEU A 64 8.108 -1.898 1.017 1.00 0.00 C ATOM 984 O LEU A 64 7.177 -1.796 0.240 1.00 0.00 O ATOM 985 CB LEU A 64 9.558 0.076 1.634 1.00 0.00 C ATOM 986 CG LEU A 64 9.851 1.127 2.721 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.181 0.805 3.415 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.937 2.520 2.082 1.00 0.00 C ATOM 0 H LEU A 64 9.730 -1.334 3.649 1.00 0.00 H new ATOM 0 HA LEU A 64 7.468 -0.212 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.441 -0.540 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.328 0.571 0.690 1.00 0.00 H new ATOM 0 HG LEU A 64 9.047 1.110 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.381 1.553 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.122 -0.181 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.986 0.814 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.144 3.262 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.737 2.532 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.990 2.757 1.596 1.00 0.00 H new ATOM 1000 N ALA A 65 8.903 -2.949 0.996 1.00 0.00 N ATOM 1001 CA ALA A 65 8.657 -4.045 -0.006 1.00 0.00 C ATOM 1002 C ALA A 65 7.347 -4.775 0.335 1.00 0.00 C ATOM 1003 O ALA A 65 6.619 -5.185 -0.551 1.00 0.00 O ATOM 1004 CB ALA A 65 9.849 -5.010 0.085 1.00 0.00 C ATOM 0 H ALA A 65 9.698 -3.094 1.618 1.00 0.00 H new ATOM 0 HA ALA A 65 8.564 -3.645 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.713 -5.824 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.769 -4.474 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.911 -5.417 1.094 1.00 0.00 H new ATOM 1010 N ASN A 66 7.032 -4.940 1.608 1.00 0.00 N ATOM 1011 CA ASN A 66 5.750 -5.645 1.970 1.00 0.00 C ATOM 1012 C ASN A 66 4.550 -4.847 1.440 1.00 0.00 C ATOM 1013 O ASN A 66 3.603 -5.422 0.935 1.00 0.00 O ATOM 1014 CB ASN A 66 5.698 -5.725 3.504 1.00 0.00 C ATOM 1015 CG ASN A 66 4.925 -6.981 3.925 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.939 -6.889 4.630 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.327 -8.163 3.524 1.00 0.00 N ATOM 0 H ASN A 66 7.596 -4.623 2.397 1.00 0.00 H new ATOM 0 HA ASN A 66 5.712 -6.642 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.708 -5.753 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.216 -4.835 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.813 -8.998 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.154 -8.247 2.932 1.00 0.00 H new ATOM 1024 N VAL A 67 4.580 -3.530 1.532 1.00 0.00 N ATOM 1025 CA VAL A 67 3.419 -2.729 1.002 1.00 0.00 C ATOM 1026 C VAL A 67 3.459 -2.736 -0.535 1.00 0.00 C ATOM 1027 O VAL A 67 2.431 -2.833 -1.179 1.00 0.00 O ATOM 1028 CB VAL A 67 3.568 -1.303 1.555 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.405 -0.439 1.064 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.552 -1.350 3.087 1.00 0.00 C ATOM 0 H VAL A 67 5.340 -2.986 1.941 1.00 0.00 H new ATOM 0 HA VAL A 67 2.462 -3.149 1.311 1.00 0.00 H new ATOM 0 HB VAL A 67 4.509 -0.876 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.512 0.572 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.410 -0.407 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.464 -0.865 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.658 -0.340 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.609 -1.777 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.378 -1.967 3.441 1.00 0.00 H new ATOM 1040 N VAL A 68 4.633 -2.667 -1.134 1.00 0.00 N ATOM 1041 CA VAL A 68 4.695 -2.714 -2.637 1.00 0.00 C ATOM 1042 C VAL A 68 4.255 -4.113 -3.114 1.00 0.00 C ATOM 1043 O VAL A 68 3.631 -4.244 -4.150 1.00 0.00 O ATOM 1044 CB VAL A 68 6.157 -2.441 -3.032 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.295 -2.479 -4.557 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.573 -1.060 -2.520 1.00 0.00 C ATOM 0 H VAL A 68 5.532 -2.582 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 68 4.036 -1.976 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 68 6.798 -3.204 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.331 -2.285 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.999 -3.461 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.653 -1.717 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.609 -0.865 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.929 -0.299 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.478 -1.031 -1.435 1.00 0.00 H new ATOM 1056 N GLN A 69 4.566 -5.161 -2.364 1.00 0.00 N ATOM 1057 CA GLN A 69 4.140 -6.538 -2.802 1.00 0.00 C ATOM 1058 C GLN A 69 2.609 -6.622 -2.850 1.00 0.00 C ATOM 1059 O GLN A 69 2.046 -7.089 -3.823 1.00 0.00 O ATOM 1060 CB GLN A 69 4.692 -7.529 -1.764 1.00 0.00 C ATOM 1061 CG GLN A 69 4.554 -8.957 -2.296 1.00 0.00 C ATOM 1062 CD GLN A 69 5.660 -9.835 -1.700 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.944 -9.749 -0.521 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.305 -10.683 -2.462 1.00 0.00 N ATOM 0 H GLN A 69 5.085 -5.121 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 69 4.520 -6.767 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.739 -7.307 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.150 -7.426 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.575 -9.360 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.620 -8.959 -3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.071 -10.759 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.041 -11.267 -2.066 1.00 0.00 H new ATOM 1073 N THR A 70 1.926 -6.168 -1.818 1.00 0.00 N ATOM 1074 CA THR A 70 0.419 -6.231 -1.848 1.00 0.00 C ATOM 1075 C THR A 70 -0.127 -5.355 -2.990 1.00 0.00 C ATOM 1076 O THR A 70 -1.154 -5.668 -3.564 1.00 0.00 O ATOM 1077 CB THR A 70 -0.097 -5.748 -0.476 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.515 -5.824 -0.457 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.336 -4.305 -0.212 1.00 0.00 C ATOM 0 H THR A 70 2.333 -5.765 -0.974 1.00 0.00 H new ATOM 0 HA THR A 70 0.077 -7.250 -2.032 1.00 0.00 H new ATOM 0 HB THR A 70 0.324 -6.386 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.847 -5.520 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.038 -3.985 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.424 -4.245 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.069 -3.656 -0.988 1.00 0.00 H new ATOM 1087 N ALA A 71 0.552 -4.281 -3.353 1.00 0.00 N ATOM 1088 CA ALA A 71 0.045 -3.437 -4.493 1.00 0.00 C ATOM 1089 C ALA A 71 0.227 -4.215 -5.807 1.00 0.00 C ATOM 1090 O ALA A 71 -0.630 -4.181 -6.672 1.00 0.00 O ATOM 1091 CB ALA A 71 0.885 -2.148 -4.516 1.00 0.00 C ATOM 0 H ALA A 71 1.417 -3.959 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.011 -3.196 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.547 -1.508 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.769 -1.621 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.935 -2.401 -4.664 1.00 0.00 H new ATOM 1097 N PHE A 72 1.324 -4.937 -5.958 1.00 0.00 N ATOM 1098 CA PHE A 72 1.524 -5.732 -7.221 1.00 0.00 C ATOM 1099 C PHE A 72 0.439 -6.813 -7.293 1.00 0.00 C ATOM 1100 O PHE A 72 -0.259 -6.934 -8.283 1.00 0.00 O ATOM 1101 CB PHE A 72 2.912 -6.387 -7.124 1.00 0.00 C ATOM 1102 CG PHE A 72 3.968 -5.443 -7.646 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.081 -4.150 -7.120 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.841 -5.864 -8.657 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.063 -3.282 -7.603 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.822 -4.992 -9.141 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.931 -3.701 -8.612 1.00 0.00 C ATOM 0 H PHE A 72 2.076 -5.009 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 72 1.459 -5.105 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.127 -6.649 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.926 -7.314 -7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.408 -3.824 -6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.757 -6.861 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.151 -2.286 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.494 -5.315 -9.922 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.688 -3.028 -8.985 1.00 0.00 H new ATOM 1117 N PHE A 73 0.279 -7.590 -6.238 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.789 -8.651 -6.250 1.00 0.00 C ATOM 1119 C PHE A 73 -2.163 -7.968 -6.364 1.00 0.00 C ATOM 1120 O PHE A 73 -3.016 -8.408 -7.111 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.656 -9.413 -4.914 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.776 -10.418 -4.762 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -2.050 -11.329 -5.789 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.539 -10.432 -3.590 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -3.089 -12.256 -5.643 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.577 -11.359 -3.442 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.852 -12.271 -4.469 1.00 0.00 C ATOM 0 H PHE A 73 0.832 -7.537 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.687 -9.339 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.306 -9.924 -4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.677 -8.708 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.460 -11.317 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.327 -9.728 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.302 -12.959 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.166 -11.371 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.653 -12.986 -4.355 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.378 -6.885 -5.640 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.705 -6.179 -5.739 1.00 0.00 C ATOM 1139 C ALA A 74 -3.914 -5.670 -7.172 1.00 0.00 C ATOM 1140 O ALA A 74 -5.010 -5.725 -7.696 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.658 -4.998 -4.758 1.00 0.00 C ATOM 0 H ALA A 74 -1.706 -6.467 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.529 -6.850 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.603 -4.456 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.494 -5.371 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.844 -4.328 -5.034 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.871 -5.179 -7.818 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.041 -4.676 -9.231 1.00 0.00 C ATOM 1149 C LEU A 75 -3.562 -5.809 -10.129 1.00 0.00 C ATOM 1150 O LEU A 75 -4.411 -5.590 -10.973 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.655 -4.210 -9.712 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.814 -3.026 -10.667 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.436 -2.440 -10.984 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.475 -3.501 -11.962 1.00 0.00 C ATOM 0 H LEU A 75 -1.928 -5.105 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.760 -3.857 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.041 -3.922 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.139 -5.028 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.436 -2.263 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.547 -1.596 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.037 -2.102 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.185 -3.204 -11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.589 -2.658 -12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.853 -4.264 -12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.456 -3.921 -11.737 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.074 -7.019 -9.948 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.576 -8.155 -10.800 1.00 0.00 C ATOM 1168 C GLU A 76 -5.041 -8.449 -10.449 1.00 0.00 C ATOM 1169 O GLU A 76 -5.855 -8.687 -11.321 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.695 -9.376 -10.486 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.459 -9.359 -11.386 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.886 -10.773 -11.494 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.415 -11.547 -12.275 1.00 0.00 O ATOM 1174 OE2 GLU A 76 0.071 -11.059 -10.794 1.00 0.00 O ATOM 0 H GLU A 76 -2.363 -7.268 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.525 -7.909 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.395 -9.361 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.260 -10.295 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.722 -8.985 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.709 -8.681 -10.978 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.388 -8.425 -9.177 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.817 -8.697 -8.790 1.00 0.00 C ATOM 1183 C ALA A 77 -7.741 -7.645 -9.423 1.00 0.00 C ATOM 1184 O ALA A 77 -8.831 -7.962 -9.863 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.890 -8.608 -7.256 1.00 0.00 C ATOM 0 H ALA A 77 -4.754 -8.232 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.137 -9.679 -9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.912 -8.799 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.223 -9.350 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.586 -7.612 -6.934 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.318 -6.397 -9.480 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.200 -5.339 -10.100 1.00 0.00 C ATOM 1193 C LEU A 78 -8.519 -5.710 -11.560 1.00 0.00 C ATOM 1194 O LEU A 78 -9.626 -5.507 -12.021 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.413 -4.020 -10.050 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.715 -3.294 -8.739 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.715 -2.153 -8.545 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.135 -2.724 -8.788 1.00 0.00 C ATOM 0 H LEU A 78 -6.418 -6.067 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.145 -5.251 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.344 -4.219 -10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.684 -3.390 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.632 -3.995 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.930 -1.635 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.703 -2.558 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.798 -1.452 -9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.352 -2.206 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.217 -2.023 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.849 -3.536 -8.926 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.562 -6.252 -12.292 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.844 -6.631 -13.726 1.00 0.00 C ATOM 1212 C GLN A 79 -9.029 -7.611 -13.806 1.00 0.00 C ATOM 1213 O GLN A 79 -9.787 -7.584 -14.758 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.571 -7.303 -14.270 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.680 -6.253 -14.937 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.598 -5.795 -13.950 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.722 -4.749 -13.346 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.534 -6.536 -13.757 1.00 0.00 N ATOM 0 H GLN A 79 -6.615 -6.446 -11.967 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.106 -5.749 -14.310 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.030 -7.791 -13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.836 -8.079 -14.988 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.218 -6.669 -15.832 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.281 -5.401 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.426 -7.415 -14.263 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.814 -6.233 -13.101 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.199 -8.473 -12.823 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.351 -9.443 -12.875 1.00 0.00 C ATOM 1229 C GLN A 80 -11.635 -8.771 -12.368 1.00 0.00 C ATOM 1230 O GLN A 80 -12.699 -8.973 -12.921 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.969 -10.623 -11.968 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.668 -11.892 -12.461 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.119 -13.107 -11.703 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.012 -13.078 -10.493 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.761 -14.182 -12.361 1.00 0.00 N ATOM 0 H GLN A 80 -8.601 -8.547 -12.000 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.540 -9.778 -13.895 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.888 -10.765 -11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.258 -10.412 -10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.744 -11.810 -12.307 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.507 -12.015 -13.532 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.849 -14.211 -13.377 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.394 -14.990 -11.857 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.547 -7.972 -11.327 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.768 -7.293 -10.800 1.00 0.00 C ATOM 1246 C GLY A 81 -12.949 -7.626 -9.311 1.00 0.00 C ATOM 1247 O GLY A 81 -13.744 -8.477 -8.959 1.00 0.00 O ATOM 0 H GLY A 81 -10.684 -7.764 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.681 -6.215 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.645 -7.614 -11.363 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.223 -6.963 -8.434 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.368 -7.247 -6.973 1.00 0.00 C ATOM 1253 C GLU A 82 -12.851 -5.987 -6.238 1.00 0.00 C ATOM 1254 O GLU A 82 -13.039 -4.950 -6.846 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.967 -7.640 -6.505 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.838 -9.166 -6.494 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.929 -9.595 -5.341 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -10.086 -9.057 -4.257 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -9.091 -10.453 -5.562 1.00 0.00 O ATOM 0 H GLU A 82 -11.541 -6.242 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.097 -8.032 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.217 -7.206 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.781 -7.242 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.821 -9.624 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.428 -9.513 -7.442 1.00 0.00 H new ATOM 1266 N SER A 83 -13.053 -6.063 -4.937 1.00 0.00 N ATOM 1267 CA SER A 83 -13.522 -4.859 -4.184 1.00 0.00 C ATOM 1268 C SER A 83 -12.451 -4.404 -3.182 1.00 0.00 C ATOM 1269 O SER A 83 -11.851 -5.216 -2.502 1.00 0.00 O ATOM 1270 CB SER A 83 -14.782 -5.308 -3.446 1.00 0.00 C ATOM 1271 OG SER A 83 -15.838 -5.478 -4.382 1.00 0.00 O ATOM 0 H SER A 83 -12.913 -6.902 -4.373 1.00 0.00 H new ATOM 0 HA SER A 83 -13.718 -4.017 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.595 -6.243 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.061 -4.568 -2.696 1.00 0.00 H new ATOM 0 HG SER A 83 -16.648 -5.768 -3.912 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.207 -3.114 -3.079 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.172 -2.622 -2.108 1.00 0.00 C ATOM 1279 C ALA A 84 -11.831 -2.134 -0.799 1.00 0.00 C ATOM 1280 O ALA A 84 -11.255 -2.268 0.264 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.448 -1.467 -2.816 1.00 0.00 C ATOM 0 H ALA A 84 -12.675 -2.387 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.480 -3.417 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.678 -1.063 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.987 -1.834 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.165 -0.683 -3.060 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.025 -1.568 -0.856 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.683 -1.079 0.414 1.00 0.00 C ATOM 1289 C GLU A 85 -13.770 -2.212 1.456 1.00 0.00 C ATOM 1290 O GLU A 85 -13.632 -1.976 2.642 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.094 -0.585 0.031 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.942 -1.747 -0.503 1.00 0.00 C ATOM 1293 CD GLU A 85 -17.348 -1.242 -0.834 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.450 -0.224 -1.499 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -18.300 -1.882 -0.417 1.00 0.00 O ATOM 0 H GLU A 85 -13.564 -1.425 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.100 -0.275 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.579 -0.142 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.020 0.197 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.477 -2.171 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.995 -2.543 0.239 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.997 -3.436 1.028 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.088 -4.571 2.020 1.00 0.00 C ATOM 1304 C ASN A 86 -12.783 -4.677 2.827 1.00 0.00 C ATOM 1305 O ASN A 86 -12.811 -4.951 4.013 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.311 -5.857 1.207 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.816 -6.089 1.019 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.567 -6.056 1.974 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.297 -6.324 -0.177 1.00 0.00 N ATOM 0 H ASN A 86 -14.122 -3.699 0.051 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.903 -4.407 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.821 -5.776 0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.863 -6.707 1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.297 -6.478 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.671 -6.353 -0.982 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.641 -4.459 2.204 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.348 -4.550 2.974 1.00 0.00 C ATOM 1318 C ILE A 87 -10.309 -3.454 4.059 1.00 0.00 C ATOM 1319 O ILE A 87 -9.811 -3.681 5.146 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.207 -4.358 1.954 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.225 -5.514 0.947 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.854 -4.349 2.673 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.531 -5.082 -0.347 1.00 0.00 C ATOM 0 H ILE A 87 -11.547 -4.226 1.215 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.249 -5.512 3.477 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.350 -3.408 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.721 -6.384 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.253 -5.811 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.055 -4.213 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.830 -3.532 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.712 -5.296 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.546 -5.906 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.054 -4.225 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.499 -4.807 -0.132 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.830 -2.272 3.782 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.805 -1.187 4.832 1.00 0.00 C ATOM 1337 C VAL A 88 -11.595 -1.639 6.071 1.00 0.00 C ATOM 1338 O VAL A 88 -11.210 -1.349 7.187 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.448 0.067 4.211 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.429 1.220 5.222 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.655 0.481 2.970 1.00 0.00 C ATOM 0 H VAL A 88 -11.262 -2.015 2.895 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.784 -0.973 5.147 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.479 -0.159 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.885 2.103 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.989 0.933 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.399 1.445 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.108 1.369 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.626 0.701 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.666 -0.332 2.244 1.00 0.00 H new ATOM 1351 N SER A 89 -12.694 -2.351 5.894 1.00 0.00 N ATOM 1352 CA SER A 89 -13.486 -2.815 7.096 1.00 0.00 C ATOM 1353 C SER A 89 -12.569 -3.606 8.041 1.00 0.00 C ATOM 1354 O SER A 89 -12.626 -3.440 9.246 1.00 0.00 O ATOM 1355 CB SER A 89 -14.611 -3.718 6.569 1.00 0.00 C ATOM 1356 OG SER A 89 -15.690 -2.911 6.118 1.00 0.00 O ATOM 0 H SER A 89 -13.072 -2.627 4.988 1.00 0.00 H new ATOM 0 HA SER A 89 -13.897 -1.971 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.242 -4.340 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.950 -4.392 7.356 1.00 0.00 H new ATOM 0 HG SER A 89 -16.409 -3.485 5.780 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.706 -4.446 7.504 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.770 -5.217 8.396 1.00 0.00 C ATOM 1364 C LYS A 90 -9.734 -4.262 9.011 1.00 0.00 C ATOM 1365 O LYS A 90 -9.325 -4.440 10.143 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.074 -6.268 7.516 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.844 -7.543 8.329 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.737 -8.376 7.676 1.00 0.00 C ATOM 1369 CE LYS A 90 -7.398 -8.079 8.356 1.00 0.00 C ATOM 1370 NZ LYS A 90 -6.702 -7.134 7.440 1.00 0.00 N ATOM 0 H LYS A 90 -11.610 -4.629 6.505 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.309 -5.697 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.685 -6.487 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.123 -5.880 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.566 -7.289 9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.765 -8.123 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.970 -9.437 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.675 -8.146 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.545 -7.637 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.817 -8.990 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.678 -7.169 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.892 -7.403 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.049 -6.168 7.608 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.313 -3.238 8.288 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.313 -2.278 8.874 1.00 0.00 C ATOM 1386 C ILE A 91 -9.006 -1.397 9.921 1.00 0.00 C ATOM 1387 O ILE A 91 -8.444 -1.117 10.964 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.776 -1.419 7.711 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.117 -2.317 6.649 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.742 -0.422 8.240 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.987 -3.145 7.280 1.00 0.00 C ATOM 0 H ILE A 91 -9.614 -3.030 7.336 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.494 -2.804 9.365 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.609 -0.880 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.862 -2.980 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.720 -1.704 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.365 0.183 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.208 0.226 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.916 -0.964 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.529 -3.776 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.235 -2.476 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.394 -3.772 8.073 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.224 -0.966 9.665 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.935 -0.112 10.679 1.00 0.00 C ATOM 1405 C ARG A 92 -11.306 -0.960 11.904 1.00 0.00 C ATOM 1406 O ARG A 92 -11.229 -0.490 13.025 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.203 0.432 9.998 1.00 0.00 C ATOM 1408 CG ARG A 92 -11.819 1.499 8.965 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.083 2.895 9.539 1.00 0.00 C ATOM 1410 NE ARG A 92 -11.201 2.994 10.735 1.00 0.00 N ATOM 1411 CZ ARG A 92 -11.713 3.281 11.901 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -12.242 4.455 12.109 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -11.695 2.394 12.858 1.00 0.00 N ATOM 0 H ARG A 92 -10.749 -1.164 8.813 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.301 0.707 11.020 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.743 -0.380 9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.873 0.859 10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.767 1.398 8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.395 1.357 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.849 3.672 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.131 3.018 9.811 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.197 2.838 10.643 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.255 5.148 11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.642 4.680 13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.281 1.476 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.095 2.618 13.769 1.00 0.00 H new ATOM 1427 N MET A 93 -11.690 -2.205 11.710 1.00 0.00 N ATOM 1428 CA MET A 93 -12.038 -3.063 12.895 1.00 0.00 C ATOM 1429 C MET A 93 -10.753 -3.477 13.625 1.00 0.00 C ATOM 1430 O MET A 93 -10.718 -3.521 14.841 1.00 0.00 O ATOM 1431 CB MET A 93 -12.773 -4.298 12.353 1.00 0.00 C ATOM 1432 CG MET A 93 -14.244 -3.952 12.109 1.00 0.00 C ATOM 1433 SD MET A 93 -15.152 -4.042 13.672 1.00 0.00 S ATOM 1434 CE MET A 93 -16.586 -3.067 13.157 1.00 0.00 C ATOM 0 H MET A 93 -11.776 -2.657 10.800 1.00 0.00 H new ATOM 0 HA MET A 93 -12.668 -2.526 13.605 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.309 -4.632 11.425 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.695 -5.121 13.063 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.328 -2.952 11.684 1.00 0.00 H new ATOM 0 HG3 MET A 93 -14.676 -4.643 11.385 1.00 0.00 H new ATOM 0 HE1 MET A 93 -17.291 -2.992 13.985 1.00 0.00 H new ATOM 0 HE2 MET A 93 -16.261 -2.068 12.866 1.00 0.00 H new ATOM 0 HE3 MET A 93 -17.071 -3.552 12.310 1.00 0.00 H new ATOM 1444 N MET A 94 -9.689 -3.762 12.899 1.00 0.00 N ATOM 1445 CA MET A 94 -8.408 -4.148 13.586 1.00 0.00 C ATOM 1446 C MET A 94 -7.750 -2.900 14.187 1.00 0.00 C ATOM 1447 O MET A 94 -7.199 -2.954 15.270 1.00 0.00 O ATOM 1448 CB MET A 94 -7.501 -4.779 12.518 1.00 0.00 C ATOM 1449 CG MET A 94 -6.407 -5.603 13.201 1.00 0.00 C ATOM 1450 SD MET A 94 -5.001 -4.531 13.590 1.00 0.00 S ATOM 1451 CE MET A 94 -4.142 -4.700 12.006 1.00 0.00 C ATOM 0 H MET A 94 -9.652 -3.745 11.880 1.00 0.00 H new ATOM 0 HA MET A 94 -8.587 -4.853 14.398 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.089 -5.414 11.855 1.00 0.00 H new ATOM 0 HB3 MET A 94 -7.053 -4.001 11.900 1.00 0.00 H new ATOM 0 HG2 MET A 94 -6.795 -6.058 14.113 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.089 -6.417 12.549 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.227 -4.109 12.024 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.894 -5.748 11.837 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.788 -4.346 11.202 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.820 -1.769 13.511 1.00 0.00 N ATOM 1462 CA ASN A 95 -7.207 -0.525 14.092 1.00 0.00 C ATOM 1463 C ASN A 95 -8.112 0.014 15.210 1.00 0.00 C ATOM 1464 O ASN A 95 -7.628 0.530 16.201 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.082 0.493 12.946 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.956 0.064 11.990 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.810 0.671 10.837 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.196 -0.835 12.293 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.266 -1.655 12.601 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.226 -0.724 14.524 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.025 0.562 12.404 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.872 1.484 13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.302 -1.313 13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.452 -1.112 11.652 1.00 0.00 H new