USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 107 HIS : no HD1:sc= 0.0353 X(o=-0.041,f=-0.13) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.0765 X(o=-0.041,f=-0.13) USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl -127:sc=-0.00437 (180deg=-0.121) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 8 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00386 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0708 (180deg=-0.231) USER MOD Single : A 26 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 28 THR OG1 : rot -76:sc= 0.107 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 38 SER OG : rot 69:sc= 0.85 USER MOD Single : A 41 GLN : amide:sc=-0.00336 X(o=-0.0034,f=-0.097) USER MOD Single : A 42 ASN : amide:sc=-0.00731 X(o=-0.0073,f=-0.0073) USER MOD Single : A 44 THR OG1 : rot -65:sc= 0.946 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -0.0139 K(o=-0.014,f=-3.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.563 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -169:sc= -1.03 (180deg=-1.45) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.327 K(o=0.33,f=-2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -52:sc= 1.13 USER MOD Single : A 109 MET CE :methyl 173:sc= 0 (180deg=-0.0028) USER MOD Single : A 110 THR OG1 : rot -90:sc= 1.15 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -177:sc= 0 (180deg=-0.0158) USER MOD Single : A 135 GLN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.595 K(o=0.59,f=-7.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0434 K(o=-0.043,f=-2.6!) USER MOD Single : A 144 MET CE :methyl 177:sc= -1.92 (180deg=-1.99) USER MOD Single : A 145 MET CE :methyl -167:sc= -0.0369 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.955 16.338 -0.078 1.00 0.00 N ATOM 59 CA THR A 5 -11.497 17.279 -1.009 1.00 0.00 C ATOM 60 C THR A 5 -12.929 16.962 -1.275 1.00 0.00 C ATOM 61 O THR A 5 -13.347 15.805 -1.258 1.00 0.00 O ATOM 62 CB THR A 5 -10.799 17.384 -2.332 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.908 16.168 -3.057 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.280 17.543 -2.150 1.00 0.00 C ATOM 0 HA THR A 5 -11.357 18.241 -0.516 1.00 0.00 H new ATOM 0 HB THR A 5 -11.259 18.233 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.448 16.258 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.802 17.616 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.075 18.447 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.885 16.678 -1.617 1.00 0.00 H new ATOM 72 N GLU A 6 -13.755 17.991 -1.532 1.00 0.00 N ATOM 73 CA GLU A 6 -15.103 17.890 -1.999 1.00 0.00 C ATOM 74 C GLU A 6 -15.303 17.040 -3.207 1.00 0.00 C ATOM 75 O GLU A 6 -16.327 16.370 -3.323 1.00 0.00 O ATOM 76 CB GLU A 6 -15.693 19.306 -2.110 1.00 0.00 C ATOM 77 CG GLU A 6 -16.212 19.694 -0.724 1.00 0.00 C ATOM 78 CD GLU A 6 -17.009 20.990 -0.767 1.00 0.00 C ATOM 79 OE1 GLU A 6 -16.544 22.030 -1.305 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.189 20.926 -0.330 1.00 0.00 O ATOM 0 H GLU A 6 -13.461 18.959 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.670 17.328 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.935 20.013 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.500 19.330 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.839 18.893 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.372 19.805 -0.038 1.00 0.00 H new ATOM 87 N GLU A 7 -14.336 17.103 -4.140 1.00 0.00 N ATOM 88 CA GLU A 7 -14.393 16.357 -5.358 1.00 0.00 C ATOM 89 C GLU A 7 -14.272 14.907 -5.036 1.00 0.00 C ATOM 90 O GLU A 7 -14.927 14.003 -5.553 1.00 0.00 O ATOM 91 CB GLU A 7 -13.279 16.686 -6.366 1.00 0.00 C ATOM 92 CG GLU A 7 -13.245 18.165 -6.760 1.00 0.00 C ATOM 93 CD GLU A 7 -12.020 18.484 -7.605 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.051 18.225 -8.838 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.946 18.902 -7.098 1.00 0.00 O ATOM 0 H GLU A 7 -13.501 17.681 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.343 16.623 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.316 16.408 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.417 16.080 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.148 18.416 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.241 18.783 -5.862 1.00 0.00 H new ATOM 102 N GLN A 8 -13.355 14.584 -4.107 1.00 0.00 N ATOM 103 CA GLN A 8 -13.212 13.275 -3.551 1.00 0.00 C ATOM 104 C GLN A 8 -14.456 12.730 -2.937 1.00 0.00 C ATOM 105 O GLN A 8 -14.868 11.626 -3.292 1.00 0.00 O ATOM 106 CB GLN A 8 -11.919 13.111 -2.734 1.00 0.00 C ATOM 107 CG GLN A 8 -10.687 13.180 -3.638 1.00 0.00 C ATOM 108 CD GLN A 8 -10.520 11.967 -4.541 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.245 10.833 -4.153 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.594 12.130 -5.890 1.00 0.00 N ATOM 0 H GLN A 8 -12.689 15.259 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.069 12.600 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.862 13.892 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.936 12.156 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.751 14.076 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.797 13.284 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.818 13.045 -6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.426 11.337 -6.509 1.00 0.00 H new ATOM 119 N ILE A 9 -15.089 13.517 -2.050 1.00 0.00 N ATOM 120 CA ILE A 9 -16.352 13.156 -1.484 1.00 0.00 C ATOM 121 C ILE A 9 -17.412 12.904 -2.500 1.00 0.00 C ATOM 122 O ILE A 9 -18.187 11.966 -2.316 1.00 0.00 O ATOM 123 CB ILE A 9 -16.801 14.199 -0.503 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.705 14.427 0.551 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.171 13.989 0.164 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.783 15.776 1.265 1.00 0.00 C ATOM 0 H ILE A 9 -14.723 14.411 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.197 12.209 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.959 15.090 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.763 13.633 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.731 14.341 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.373 14.813 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.947 13.955 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.166 13.050 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.973 15.851 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.692 16.580 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.740 15.860 1.780 1.00 0.00 H new ATOM 138 N ALA A 10 -17.573 13.853 -3.439 1.00 0.00 N ATOM 139 CA ALA A 10 -18.463 13.716 -4.550 1.00 0.00 C ATOM 140 C ALA A 10 -18.398 12.458 -5.345 1.00 0.00 C ATOM 141 O ALA A 10 -19.348 11.722 -5.609 1.00 0.00 O ATOM 142 CB ALA A 10 -18.231 14.863 -5.549 1.00 0.00 C ATOM 0 H ALA A 10 -17.070 14.740 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.439 13.720 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.912 14.753 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.415 15.818 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.202 14.832 -5.906 1.00 0.00 H new ATOM 148 N GLU A 11 -17.167 12.045 -5.696 1.00 0.00 N ATOM 149 CA GLU A 11 -16.793 10.777 -6.240 1.00 0.00 C ATOM 150 C GLU A 11 -17.053 9.636 -5.317 1.00 0.00 C ATOM 151 O GLU A 11 -17.686 8.699 -5.800 1.00 0.00 O ATOM 152 CB GLU A 11 -15.293 10.709 -6.574 1.00 0.00 C ATOM 153 CG GLU A 11 -14.927 11.519 -7.819 1.00 0.00 C ATOM 154 CD GLU A 11 -13.467 11.404 -8.233 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.835 10.381 -7.855 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.084 12.294 -9.037 1.00 0.00 O ATOM 0 H GLU A 11 -16.359 12.659 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.409 10.689 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.719 11.078 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.006 9.669 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.555 11.193 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.160 12.568 -7.637 1.00 0.00 H new ATOM 163 N PHE A 12 -16.731 9.691 -4.012 1.00 0.00 N ATOM 164 CA PHE A 12 -16.987 8.592 -3.133 1.00 0.00 C ATOM 165 C PHE A 12 -18.434 8.306 -2.926 1.00 0.00 C ATOM 166 O PHE A 12 -18.842 7.146 -2.943 1.00 0.00 O ATOM 167 CB PHE A 12 -16.336 8.785 -1.753 1.00 0.00 C ATOM 168 CG PHE A 12 -14.855 8.948 -1.731 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.993 8.465 -2.688 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.286 9.641 -0.689 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.653 8.773 -2.698 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.932 9.866 -0.606 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.117 9.468 -1.639 1.00 0.00 C ATOM 0 H PHE A 12 -16.293 10.497 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.539 7.740 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.782 9.663 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.594 7.927 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.384 7.819 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.926 10.023 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.029 8.473 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.513 10.351 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.062 9.700 -1.619 1.00 0.00 H new ATOM 183 N LYS A 13 -19.232 9.357 -2.662 1.00 0.00 N ATOM 184 CA LYS A 13 -20.648 9.201 -2.535 1.00 0.00 C ATOM 185 C LYS A 13 -21.413 8.834 -3.759 1.00 0.00 C ATOM 186 O LYS A 13 -22.465 8.200 -3.704 1.00 0.00 O ATOM 187 CB LYS A 13 -21.067 10.618 -2.110 1.00 0.00 C ATOM 188 CG LYS A 13 -22.548 10.814 -1.781 1.00 0.00 C ATOM 189 CD LYS A 13 -22.769 11.980 -0.815 1.00 0.00 C ATOM 190 CE LYS A 13 -24.243 12.326 -0.601 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.009 11.236 0.044 1.00 0.00 N ATOM 0 H LYS A 13 -18.897 10.312 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.864 8.370 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.481 10.901 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.799 11.309 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.103 10.995 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.947 9.899 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.319 11.735 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.249 12.860 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.314 13.224 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.698 12.561 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.999 11.530 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.969 10.384 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.597 11.026 0.976 1.00 0.00 H new ATOM 205 N GLU A 14 -20.874 9.184 -4.941 1.00 0.00 N ATOM 206 CA GLU A 14 -21.324 8.734 -6.222 1.00 0.00 C ATOM 207 C GLU A 14 -20.984 7.308 -6.490 1.00 0.00 C ATOM 208 O GLU A 14 -21.844 6.439 -6.626 1.00 0.00 O ATOM 209 CB GLU A 14 -20.684 9.581 -7.334 1.00 0.00 C ATOM 210 CG GLU A 14 -21.137 9.174 -8.737 1.00 0.00 C ATOM 211 CD GLU A 14 -20.846 10.307 -9.711 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.199 11.468 -9.373 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.361 10.103 -10.856 1.00 0.00 O ATOM 0 H GLU A 14 -20.078 9.818 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.409 8.837 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.930 10.630 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.599 9.494 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.618 8.268 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.203 8.946 -8.735 1.00 0.00 H new ATOM 220 N ALA A 15 -19.707 6.972 -6.231 1.00 0.00 N ATOM 221 CA ALA A 15 -19.114 5.673 -6.315 1.00 0.00 C ATOM 222 C ALA A 15 -19.761 4.558 -5.569 1.00 0.00 C ATOM 223 O ALA A 15 -19.887 3.444 -6.076 1.00 0.00 O ATOM 224 CB ALA A 15 -17.598 5.816 -6.097 1.00 0.00 C ATOM 0 H ALA A 15 -19.030 7.675 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.310 5.310 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.128 4.835 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.180 6.467 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.411 6.248 -5.114 1.00 0.00 H new ATOM 230 N PHE A 16 -20.149 4.860 -4.317 1.00 0.00 N ATOM 231 CA PHE A 16 -20.940 4.088 -3.409 1.00 0.00 C ATOM 232 C PHE A 16 -22.211 3.466 -3.876 1.00 0.00 C ATOM 233 O PHE A 16 -22.328 2.242 -3.870 1.00 0.00 O ATOM 234 CB PHE A 16 -21.296 5.026 -2.243 1.00 0.00 C ATOM 235 CG PHE A 16 -22.070 4.470 -1.098 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.569 3.488 -0.276 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.309 4.973 -0.778 1.00 0.00 C ATOM 238 CE1 PHE A 16 -22.339 3.010 0.757 1.00 0.00 C ATOM 239 CE2 PHE A 16 -24.087 4.554 0.276 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.556 3.568 1.073 1.00 0.00 C ATOM 0 H PHE A 16 -19.875 5.748 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.313 3.225 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.365 5.433 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.862 5.863 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.577 3.095 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.703 5.760 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.979 2.173 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.062 4.977 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 16 -24.094 3.232 1.947 1.00 0.00 H new ATOM 250 N SER A 17 -23.112 4.325 -4.385 1.00 0.00 N ATOM 251 CA SER A 17 -24.334 3.997 -5.053 1.00 0.00 C ATOM 252 C SER A 17 -24.098 3.309 -6.353 1.00 0.00 C ATOM 253 O SER A 17 -24.932 2.483 -6.722 1.00 0.00 O ATOM 254 CB SER A 17 -25.178 5.259 -5.299 1.00 0.00 C ATOM 255 OG SER A 17 -25.177 6.075 -4.137 1.00 0.00 O ATOM 0 H SER A 17 -22.973 5.334 -4.323 1.00 0.00 H new ATOM 0 HA SER A 17 -24.873 3.314 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.777 5.816 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.200 4.979 -5.557 1.00 0.00 H new ATOM 0 HG SER A 17 -25.715 6.878 -4.301 1.00 0.00 H new ATOM 261 N LEU A 18 -22.942 3.530 -7.003 1.00 0.00 N ATOM 262 CA LEU A 18 -22.604 2.914 -8.249 1.00 0.00 C ATOM 263 C LEU A 18 -22.127 1.506 -8.148 1.00 0.00 C ATOM 264 O LEU A 18 -22.399 0.733 -9.066 1.00 0.00 O ATOM 265 CB LEU A 18 -21.596 3.731 -9.075 1.00 0.00 C ATOM 266 CG LEU A 18 -22.233 4.371 -10.321 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.619 3.354 -11.409 1.00 0.00 C ATOM 268 CD2 LEU A 18 -23.319 5.399 -9.961 1.00 0.00 C ATOM 0 H LEU A 18 -22.219 4.157 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.561 2.892 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.167 4.513 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.775 3.084 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.453 4.958 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -23.062 3.878 -12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.729 2.818 -11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -23.340 2.644 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.737 5.822 -10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -24.110 4.909 -9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.881 6.196 -9.360 1.00 0.00 H new ATOM 280 N PHE A 19 -21.627 1.061 -6.982 1.00 0.00 N ATOM 281 CA PHE A 19 -21.291 -0.308 -6.740 1.00 0.00 C ATOM 282 C PHE A 19 -22.484 -1.090 -6.311 1.00 0.00 C ATOM 283 O PHE A 19 -22.521 -2.314 -6.429 1.00 0.00 O ATOM 284 CB PHE A 19 -20.160 -0.308 -5.698 1.00 0.00 C ATOM 285 CG PHE A 19 -18.897 0.367 -6.111 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.250 -0.043 -7.253 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.238 1.242 -5.280 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.969 0.377 -7.522 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.992 1.736 -5.585 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.324 1.259 -6.688 1.00 0.00 C ATOM 0 H PHE A 19 -21.451 1.671 -6.184 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.948 -0.801 -7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.527 0.173 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.930 -1.342 -5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.753 -0.702 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.713 1.550 -4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.462 0.009 -8.402 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.541 2.494 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.311 1.572 -6.895 1.00 0.00 H new ATOM 300 N ASP A 20 -23.475 -0.439 -5.677 1.00 0.00 N ATOM 301 CA ASP A 20 -24.635 -1.076 -5.136 1.00 0.00 C ATOM 302 C ASP A 20 -25.486 -1.689 -6.194 1.00 0.00 C ATOM 303 O ASP A 20 -25.988 -1.010 -7.089 1.00 0.00 O ATOM 304 CB ASP A 20 -25.420 -0.147 -4.195 1.00 0.00 C ATOM 305 CG ASP A 20 -26.197 -0.952 -3.163 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.922 -1.881 -3.608 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.055 -0.731 -1.931 1.00 0.00 O ATOM 0 H ASP A 20 -23.468 0.571 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.285 -1.903 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.732 0.532 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.108 0.469 -4.775 1.00 0.00 H new ATOM 312 N LYS A 21 -25.612 -3.026 -6.131 1.00 0.00 N ATOM 313 CA LYS A 21 -26.279 -3.842 -7.097 1.00 0.00 C ATOM 314 C LYS A 21 -27.766 -3.759 -7.040 1.00 0.00 C ATOM 315 O LYS A 21 -28.376 -3.330 -8.018 1.00 0.00 O ATOM 316 CB LYS A 21 -25.703 -5.261 -6.959 1.00 0.00 C ATOM 317 CG LYS A 21 -25.940 -6.037 -8.256 1.00 0.00 C ATOM 318 CD LYS A 21 -27.155 -6.955 -8.113 1.00 0.00 C ATOM 319 CE LYS A 21 -27.493 -7.943 -9.231 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.236 -8.587 -9.672 1.00 0.00 N ATOM 0 H LYS A 21 -25.225 -3.569 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.083 -3.471 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.636 -5.212 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.175 -5.777 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.097 -5.341 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.057 -6.627 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.022 -7.532 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.028 -6.319 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.200 -8.692 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.969 -7.426 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.457 -9.380 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.648 -7.892 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.719 -8.942 -8.843 1.00 0.00 H new ATOM 334 N ASP A 22 -28.393 -4.035 -5.883 1.00 0.00 N ATOM 335 CA ASP A 22 -29.783 -3.993 -5.550 1.00 0.00 C ATOM 336 C ASP A 22 -30.279 -2.627 -5.224 1.00 0.00 C ATOM 337 O ASP A 22 -31.427 -2.323 -5.545 1.00 0.00 O ATOM 338 CB ASP A 22 -30.288 -4.983 -4.486 1.00 0.00 C ATOM 339 CG ASP A 22 -29.391 -5.265 -3.290 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.405 -4.517 -3.055 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.675 -6.362 -2.737 1.00 0.00 O ATOM 0 H ASP A 22 -27.845 -4.327 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.215 -4.333 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.240 -4.611 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.491 -5.932 -4.982 1.00 0.00 H new ATOM 346 N GLY A 23 -29.360 -1.713 -4.864 1.00 0.00 N ATOM 347 CA GLY A 23 -29.675 -0.318 -4.829 1.00 0.00 C ATOM 348 C GLY A 23 -30.245 0.152 -3.535 1.00 0.00 C ATOM 349 O GLY A 23 -31.033 1.088 -3.404 1.00 0.00 O ATOM 0 H GLY A 23 -28.402 -1.939 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.770 0.252 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.385 -0.098 -5.626 1.00 0.00 H new ATOM 353 N ASP A 24 -29.874 -0.462 -2.397 1.00 0.00 N ATOM 354 CA ASP A 24 -30.464 -0.171 -1.128 1.00 0.00 C ATOM 355 C ASP A 24 -29.704 0.843 -0.343 1.00 0.00 C ATOM 356 O ASP A 24 -30.334 1.381 0.567 1.00 0.00 O ATOM 357 CB ASP A 24 -30.626 -1.463 -0.309 1.00 0.00 C ATOM 358 CG ASP A 24 -29.282 -2.052 0.095 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.455 -2.372 -0.800 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.012 -2.079 1.326 1.00 0.00 O ATOM 0 H ASP A 24 -29.147 -1.177 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.442 0.264 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.214 -1.255 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.182 -2.196 -0.893 1.00 0.00 H new ATOM 365 N GLY A 25 -28.409 1.101 -0.597 1.00 0.00 N ATOM 366 CA GLY A 25 -27.581 1.734 0.381 1.00 0.00 C ATOM 367 C GLY A 25 -26.594 1.012 1.233 1.00 0.00 C ATOM 368 O GLY A 25 -26.043 1.700 2.090 1.00 0.00 O ATOM 0 H GLY A 25 -27.938 0.873 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.020 2.504 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.257 2.246 1.066 1.00 0.00 H new ATOM 372 N THR A 26 -26.471 -0.319 1.087 1.00 0.00 N ATOM 373 CA THR A 26 -25.592 -0.960 2.015 1.00 0.00 C ATOM 374 C THR A 26 -24.802 -1.935 1.212 1.00 0.00 C ATOM 375 O THR A 26 -25.428 -2.667 0.448 1.00 0.00 O ATOM 376 CB THR A 26 -26.295 -1.786 3.051 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.499 -1.114 3.391 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.392 -1.750 4.295 1.00 0.00 C ATOM 0 H THR A 26 -26.932 -0.908 0.394 1.00 0.00 H new ATOM 0 HA THR A 26 -25.024 -0.183 2.526 1.00 0.00 H new ATOM 0 HB THR A 26 -26.496 -2.800 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.190 -1.327 2.730 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.848 -2.336 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.417 -2.170 4.049 1.00 0.00 H new ATOM 0 HG23 THR A 26 -25.270 -0.719 4.626 1.00 0.00 H new ATOM 386 N ILE A 27 -23.467 -2.073 1.303 1.00 0.00 N ATOM 387 CA ILE A 27 -22.646 -2.961 0.539 1.00 0.00 C ATOM 388 C ILE A 27 -22.339 -4.254 1.212 1.00 0.00 C ATOM 389 O ILE A 27 -21.824 -4.264 2.329 1.00 0.00 O ATOM 390 CB ILE A 27 -21.394 -2.373 -0.040 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.348 -0.838 -0.131 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.000 -3.138 -1.315 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.057 -0.256 -0.706 1.00 0.00 C ATOM 0 H ILE A 27 -22.920 -1.520 1.963 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.304 -3.165 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.598 -2.530 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.184 -0.502 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.500 -0.427 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.090 -2.707 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.826 -4.186 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.804 -3.064 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.126 0.832 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.214 -0.554 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.909 -0.630 -1.719 1.00 0.00 H new ATOM 405 N THR A 28 -22.617 -5.400 0.565 1.00 0.00 N ATOM 406 CA THR A 28 -22.407 -6.713 1.093 1.00 0.00 C ATOM 407 C THR A 28 -21.093 -7.273 0.671 1.00 0.00 C ATOM 408 O THR A 28 -20.398 -6.707 -0.171 1.00 0.00 O ATOM 409 CB THR A 28 -23.532 -7.629 0.712 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.557 -7.895 -0.683 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.903 -7.030 1.069 1.00 0.00 C ATOM 0 H THR A 28 -23.009 -5.411 -0.377 1.00 0.00 H new ATOM 0 HA THR A 28 -22.390 -6.630 2.180 1.00 0.00 H new ATOM 0 HB THR A 28 -23.353 -8.547 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.921 -7.119 -1.158 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.691 -7.724 0.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.955 -6.854 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.037 -6.086 0.540 1.00 0.00 H new ATOM 419 N THR A 29 -20.812 -8.531 1.055 1.00 0.00 N ATOM 420 CA THR A 29 -19.659 -9.285 0.671 1.00 0.00 C ATOM 421 C THR A 29 -19.791 -9.734 -0.743 1.00 0.00 C ATOM 422 O THR A 29 -18.858 -9.658 -1.542 1.00 0.00 O ATOM 423 CB THR A 29 -19.377 -10.529 1.460 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.491 -11.374 1.708 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.937 -10.160 2.887 1.00 0.00 C ATOM 0 H THR A 29 -21.431 -9.055 1.674 1.00 0.00 H new ATOM 0 HA THR A 29 -18.841 -8.587 0.850 1.00 0.00 H new ATOM 0 HB THR A 29 -18.639 -11.039 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.201 -12.154 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.735 -11.070 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.034 -9.551 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.730 -9.597 3.378 1.00 0.00 H new ATOM 433 N LYS A 30 -20.996 -10.000 -1.278 1.00 0.00 N ATOM 434 CA LYS A 30 -21.275 -10.413 -2.619 1.00 0.00 C ATOM 435 C LYS A 30 -21.092 -9.289 -3.580 1.00 0.00 C ATOM 436 O LYS A 30 -20.510 -9.452 -4.651 1.00 0.00 O ATOM 437 CB LYS A 30 -22.696 -10.967 -2.818 1.00 0.00 C ATOM 438 CG LYS A 30 -22.958 -12.305 -2.124 1.00 0.00 C ATOM 439 CD LYS A 30 -24.361 -12.835 -2.424 1.00 0.00 C ATOM 440 CE LYS A 30 -24.447 -14.302 -2.000 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.968 -14.502 -0.629 1.00 0.00 N ATOM 0 H LYS A 30 -21.848 -9.919 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.563 -11.216 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.413 -10.234 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.881 -11.084 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.216 -13.035 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.837 -12.186 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.107 -12.246 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.579 -12.738 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.087 -14.836 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.455 -14.749 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.997 -15.519 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.346 -14.022 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.927 -14.106 -0.561 1.00 0.00 H new ATOM 455 N GLU A 31 -21.499 -8.066 -3.196 1.00 0.00 N ATOM 456 CA GLU A 31 -21.247 -6.846 -3.898 1.00 0.00 C ATOM 457 C GLU A 31 -19.804 -6.473 -3.911 1.00 0.00 C ATOM 458 O GLU A 31 -19.280 -6.118 -4.965 1.00 0.00 O ATOM 459 CB GLU A 31 -22.114 -5.714 -3.322 1.00 0.00 C ATOM 460 CG GLU A 31 -23.569 -6.058 -3.647 1.00 0.00 C ATOM 461 CD GLU A 31 -24.526 -5.062 -3.009 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.647 -5.027 -1.755 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.304 -4.374 -3.722 1.00 0.00 O ATOM 0 H GLU A 31 -22.038 -7.921 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.524 -7.008 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.969 -5.627 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.837 -4.755 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.712 -6.062 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.796 -7.063 -3.292 1.00 0.00 H new ATOM 470 N LEU A 32 -19.162 -6.476 -2.729 1.00 0.00 N ATOM 471 CA LEU A 32 -17.776 -6.122 -2.730 1.00 0.00 C ATOM 472 C LEU A 32 -16.884 -7.167 -3.305 1.00 0.00 C ATOM 473 O LEU A 32 -15.900 -6.828 -3.961 1.00 0.00 O ATOM 474 CB LEU A 32 -17.442 -5.736 -1.279 1.00 0.00 C ATOM 475 CG LEU A 32 -16.224 -4.805 -1.157 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.699 -3.392 -1.537 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.731 -4.627 0.289 1.00 0.00 C ATOM 0 H LEU A 32 -19.570 -6.708 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.592 -5.283 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.308 -5.248 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.255 -6.643 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.438 -5.237 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.864 -2.695 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.078 -3.398 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.492 -3.080 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.870 -3.958 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.530 -4.200 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.443 -5.596 0.697 1.00 0.00 H new ATOM 489 N GLY A 33 -17.190 -8.477 -3.306 1.00 0.00 N ATOM 490 CA GLY A 33 -16.613 -9.432 -4.201 1.00 0.00 C ATOM 491 C GLY A 33 -16.667 -9.164 -5.666 1.00 0.00 C ATOM 492 O GLY A 33 -15.664 -9.214 -6.376 1.00 0.00 O ATOM 0 H GLY A 33 -17.864 -8.886 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.565 -9.552 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.102 -10.390 -4.022 1.00 0.00 H new ATOM 496 N THR A 34 -17.749 -8.638 -6.267 1.00 0.00 N ATOM 497 CA THR A 34 -17.810 -8.080 -7.582 1.00 0.00 C ATOM 498 C THR A 34 -16.902 -6.923 -7.820 1.00 0.00 C ATOM 499 O THR A 34 -16.302 -6.937 -8.894 1.00 0.00 O ATOM 500 CB THR A 34 -19.172 -7.664 -8.055 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.083 -8.590 -7.483 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.443 -7.648 -9.569 1.00 0.00 C ATOM 0 H THR A 34 -18.652 -8.601 -5.794 1.00 0.00 H new ATOM 0 HA THR A 34 -17.478 -8.942 -8.160 1.00 0.00 H new ATOM 0 HB THR A 34 -19.274 -6.622 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.996 -8.364 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.468 -7.327 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.754 -6.957 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.299 -8.649 -9.975 1.00 0.00 H new ATOM 510 N VAL A 35 -16.622 -5.968 -6.915 1.00 0.00 N ATOM 511 CA VAL A 35 -15.703 -4.888 -7.100 1.00 0.00 C ATOM 512 C VAL A 35 -14.312 -5.421 -7.104 1.00 0.00 C ATOM 513 O VAL A 35 -13.603 -5.236 -8.092 1.00 0.00 O ATOM 514 CB VAL A 35 -15.754 -3.900 -5.972 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.840 -2.712 -6.316 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.178 -3.323 -5.904 1.00 0.00 C ATOM 0 H VAL A 35 -17.066 -5.950 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.977 -4.403 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.457 -4.388 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.867 -1.985 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.818 -3.066 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.186 -2.241 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.239 -2.601 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.416 -2.829 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.889 -4.130 -5.728 1.00 0.00 H new ATOM 526 N MET A 36 -13.931 -6.243 -6.109 1.00 0.00 N ATOM 527 CA MET A 36 -12.723 -7.006 -6.148 1.00 0.00 C ATOM 528 C MET A 36 -12.439 -7.784 -7.387 1.00 0.00 C ATOM 529 O MET A 36 -11.297 -7.805 -7.844 1.00 0.00 O ATOM 530 CB MET A 36 -12.644 -7.974 -4.956 1.00 0.00 C ATOM 531 CG MET A 36 -12.217 -7.122 -3.758 1.00 0.00 C ATOM 532 SD MET A 36 -12.031 -8.111 -2.244 1.00 0.00 S ATOM 533 CE MET A 36 -10.246 -8.434 -2.156 1.00 0.00 C ATOM 0 H MET A 36 -14.476 -6.380 -5.258 1.00 0.00 H new ATOM 0 HA MET A 36 -11.962 -6.227 -6.112 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.607 -8.450 -4.774 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.925 -8.771 -5.146 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.273 -6.627 -3.985 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.956 -6.338 -3.590 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.027 -9.029 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.930 -8.979 -3.046 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.707 -7.488 -2.100 1.00 0.00 H new ATOM 543 N ARG A 37 -13.423 -8.567 -7.865 1.00 0.00 N ATOM 544 CA ARG A 37 -13.376 -9.343 -9.065 1.00 0.00 C ATOM 545 C ARG A 37 -13.260 -8.465 -10.264 1.00 0.00 C ATOM 546 O ARG A 37 -12.662 -8.884 -11.254 1.00 0.00 O ATOM 547 CB ARG A 37 -14.515 -10.376 -9.089 1.00 0.00 C ATOM 548 CG ARG A 37 -14.398 -11.460 -8.015 1.00 0.00 C ATOM 549 CD ARG A 37 -15.684 -12.215 -7.672 1.00 0.00 C ATOM 550 NE ARG A 37 -15.195 -12.982 -6.492 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.935 -13.298 -5.389 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.274 -13.050 -5.297 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.324 -13.987 -4.382 1.00 0.00 N ATOM 0 H ARG A 37 -14.314 -8.664 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.467 -9.944 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.465 -9.856 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.539 -10.852 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.652 -12.185 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.018 -10.999 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.511 -11.549 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.023 -12.860 -8.483 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.225 -13.298 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.766 -12.610 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.783 -13.305 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.342 -14.251 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.849 -14.238 -3.544 1.00 0.00 H new ATOM 567 N SER A 38 -13.810 -7.239 -10.305 1.00 0.00 N ATOM 568 CA SER A 38 -13.673 -6.386 -11.445 1.00 0.00 C ATOM 569 C SER A 38 -12.353 -5.697 -11.467 1.00 0.00 C ATOM 570 O SER A 38 -11.936 -5.080 -12.446 1.00 0.00 O ATOM 571 CB SER A 38 -14.861 -5.414 -11.544 1.00 0.00 C ATOM 572 OG SER A 38 -16.144 -6.021 -11.584 1.00 0.00 O ATOM 0 H SER A 38 -14.354 -6.835 -9.542 1.00 0.00 H new ATOM 0 HA SER A 38 -13.696 -7.007 -12.340 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.825 -4.736 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.737 -4.806 -12.440 1.00 0.00 H new ATOM 0 HG SER A 38 -16.341 -6.427 -10.714 1.00 0.00 H new ATOM 578 N LEU A 39 -11.545 -5.826 -10.399 1.00 0.00 N ATOM 579 CA LEU A 39 -10.169 -5.440 -10.338 1.00 0.00 C ATOM 580 C LEU A 39 -9.228 -6.562 -10.612 1.00 0.00 C ATOM 581 O LEU A 39 -8.022 -6.386 -10.447 1.00 0.00 O ATOM 582 CB LEU A 39 -9.863 -4.669 -9.043 1.00 0.00 C ATOM 583 CG LEU A 39 -10.788 -3.458 -8.839 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.984 -3.138 -7.347 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.374 -2.231 -9.670 1.00 0.00 C ATOM 0 H LEU A 39 -11.876 -6.226 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.994 -4.744 -11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.961 -5.343 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.827 -4.330 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.765 -3.744 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.643 -2.276 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.429 -3.998 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.019 -2.913 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.068 -1.412 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.366 -1.925 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.395 -2.485 -10.730 1.00 0.00 H new ATOM 597 N GLY A 40 -9.695 -7.757 -11.014 1.00 0.00 N ATOM 598 CA GLY A 40 -8.937 -8.937 -11.293 1.00 0.00 C ATOM 599 C GLY A 40 -8.868 -10.028 -10.281 1.00 0.00 C ATOM 600 O GLY A 40 -8.177 -11.008 -10.556 1.00 0.00 O ATOM 0 H GLY A 40 -10.694 -7.909 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.335 -9.370 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.914 -8.624 -11.505 1.00 0.00 H new ATOM 604 N GLN A 41 -9.409 -9.911 -9.055 1.00 0.00 N ATOM 605 CA GLN A 41 -8.953 -10.748 -7.989 1.00 0.00 C ATOM 606 C GLN A 41 -9.867 -11.915 -7.833 1.00 0.00 C ATOM 607 O GLN A 41 -10.968 -11.932 -8.381 1.00 0.00 O ATOM 608 CB GLN A 41 -8.688 -9.987 -6.679 1.00 0.00 C ATOM 609 CG GLN A 41 -7.823 -8.740 -6.873 1.00 0.00 C ATOM 610 CD GLN A 41 -6.394 -8.971 -7.344 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.082 -8.917 -8.532 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.415 -9.087 -6.407 1.00 0.00 N ATOM 0 H GLN A 41 -10.146 -9.252 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.970 -11.132 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.640 -9.696 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.198 -10.655 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.319 -8.090 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.787 -8.199 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.659 -9.133 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.437 -9.128 -6.694 1.00 0.00 H new ATOM 621 N ASN A 42 -9.459 -12.956 -7.085 1.00 0.00 N ATOM 622 CA ASN A 42 -10.293 -14.073 -6.765 1.00 0.00 C ATOM 623 C ASN A 42 -10.259 -14.238 -5.284 1.00 0.00 C ATOM 624 O ASN A 42 -9.586 -15.151 -4.807 1.00 0.00 O ATOM 625 CB ASN A 42 -9.746 -15.333 -7.455 1.00 0.00 C ATOM 626 CG ASN A 42 -9.941 -15.093 -8.945 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.058 -15.292 -9.420 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.788 -14.821 -9.614 1.00 0.00 N ATOM 0 H ASN A 42 -8.521 -13.023 -6.691 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.316 -13.914 -7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.694 -15.487 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.281 -16.224 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.791 -14.763 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.921 -14.675 -9.097 1.00 0.00 H new ATOM 635 N PRO A 43 -10.774 -13.395 -4.439 1.00 0.00 N ATOM 636 CA PRO A 43 -10.812 -13.645 -3.028 1.00 0.00 C ATOM 637 C PRO A 43 -11.546 -14.877 -2.622 1.00 0.00 C ATOM 638 O PRO A 43 -12.448 -15.193 -3.395 1.00 0.00 O ATOM 639 CB PRO A 43 -11.483 -12.408 -2.434 1.00 0.00 C ATOM 640 CG PRO A 43 -12.213 -11.703 -3.587 1.00 0.00 C ATOM 641 CD PRO A 43 -11.373 -12.120 -4.804 1.00 0.00 C ATOM 0 HA PRO A 43 -9.799 -13.821 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.183 -12.688 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.744 -11.746 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.249 -12.031 -3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.232 -10.621 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.993 -12.218 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.608 -11.376 -5.028 1.00 0.00 H new ATOM 649 N THR A 44 -11.276 -15.525 -1.475 1.00 0.00 N ATOM 650 CA THR A 44 -12.163 -16.531 -0.980 1.00 0.00 C ATOM 651 C THR A 44 -13.205 -15.941 -0.094 1.00 0.00 C ATOM 652 O THR A 44 -12.951 -14.825 0.355 1.00 0.00 O ATOM 653 CB THR A 44 -11.481 -17.596 -0.173 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.823 -17.103 0.985 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.503 -18.561 -0.864 1.00 0.00 C ATOM 0 H THR A 44 -10.454 -15.355 -0.896 1.00 0.00 H new ATOM 0 HA THR A 44 -12.592 -16.976 -1.878 1.00 0.00 H new ATOM 0 HB THR A 44 -12.367 -18.186 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.083 -16.519 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.105 -19.262 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.026 -19.111 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.684 -17.994 -1.306 1.00 0.00 H new ATOM 663 N GLU A 45 -14.373 -16.601 0.007 1.00 0.00 N ATOM 664 CA GLU A 45 -15.423 -15.985 0.758 1.00 0.00 C ATOM 665 C GLU A 45 -15.231 -15.827 2.227 1.00 0.00 C ATOM 666 O GLU A 45 -15.682 -14.823 2.777 1.00 0.00 O ATOM 667 CB GLU A 45 -16.738 -16.764 0.594 1.00 0.00 C ATOM 668 CG GLU A 45 -17.141 -16.903 -0.875 1.00 0.00 C ATOM 669 CD GLU A 45 -17.609 -15.631 -1.568 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.586 -14.983 -1.108 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.208 -15.369 -2.734 1.00 0.00 O ATOM 0 H GLU A 45 -14.585 -17.510 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.432 -14.982 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.630 -17.755 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.532 -16.255 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.290 -17.300 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.938 -17.643 -0.943 1.00 0.00 H new ATOM 678 N ALA A 46 -14.493 -16.713 2.918 1.00 0.00 N ATOM 679 CA ALA A 46 -13.998 -16.378 4.217 1.00 0.00 C ATOM 680 C ALA A 46 -13.177 -15.143 4.362 1.00 0.00 C ATOM 681 O ALA A 46 -13.233 -14.497 5.407 1.00 0.00 O ATOM 682 CB ALA A 46 -13.162 -17.585 4.674 1.00 0.00 C ATOM 0 H ALA A 46 -14.242 -17.644 2.586 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.877 -16.154 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.754 -17.390 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.794 -18.473 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.345 -17.749 3.971 1.00 0.00 H new ATOM 688 N GLU A 47 -12.355 -14.721 3.385 1.00 0.00 N ATOM 689 CA GLU A 47 -11.658 -13.473 3.348 1.00 0.00 C ATOM 690 C GLU A 47 -12.498 -12.249 3.224 1.00 0.00 C ATOM 691 O GLU A 47 -12.104 -11.204 3.739 1.00 0.00 O ATOM 692 CB GLU A 47 -10.559 -13.337 2.281 1.00 0.00 C ATOM 693 CG GLU A 47 -9.444 -14.383 2.246 1.00 0.00 C ATOM 694 CD GLU A 47 -8.710 -14.379 0.912 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.858 -13.462 0.771 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.922 -15.296 0.074 1.00 0.00 O ATOM 0 H GLU A 47 -12.165 -15.294 2.563 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.213 -13.522 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.043 -13.336 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.093 -12.360 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.736 -14.187 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.867 -15.372 2.426 1.00 0.00 H new ATOM 703 N LEU A 48 -13.569 -12.410 2.427 1.00 0.00 N ATOM 704 CA LEU A 48 -14.512 -11.338 2.344 1.00 0.00 C ATOM 705 C LEU A 48 -15.250 -11.235 3.634 1.00 0.00 C ATOM 706 O LEU A 48 -15.494 -10.169 4.198 1.00 0.00 O ATOM 707 CB LEU A 48 -15.469 -11.571 1.163 1.00 0.00 C ATOM 708 CG LEU A 48 -14.943 -10.951 -0.143 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.532 -11.779 -1.297 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.342 -9.486 -0.383 1.00 0.00 C ATOM 0 H LEU A 48 -13.777 -13.236 1.867 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.993 -10.396 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.615 -12.642 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.444 -11.145 1.398 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.855 -10.964 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.186 -11.375 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.208 -12.816 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.620 -11.734 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.921 -9.145 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.428 -9.406 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.959 -8.867 0.429 1.00 0.00 H new ATOM 722 N GLN A 49 -15.678 -12.328 4.291 1.00 0.00 N ATOM 723 CA GLN A 49 -16.451 -12.132 5.479 1.00 0.00 C ATOM 724 C GLN A 49 -15.672 -11.562 6.614 1.00 0.00 C ATOM 725 O GLN A 49 -16.048 -10.697 7.405 1.00 0.00 O ATOM 726 CB GLN A 49 -17.065 -13.468 5.928 1.00 0.00 C ATOM 727 CG GLN A 49 -17.887 -13.369 7.215 1.00 0.00 C ATOM 728 CD GLN A 49 -18.764 -14.608 7.333 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.990 -14.550 7.256 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.239 -15.859 7.417 1.00 0.00 N ATOM 0 H GLN A 49 -15.503 -13.296 4.021 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.223 -11.407 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.701 -13.851 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.265 -14.194 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.227 -13.290 8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.503 -12.470 7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.229 -15.985 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.855 -16.672 7.413 1.00 0.00 H new ATOM 739 N ASP A 50 -14.372 -11.904 6.646 1.00 0.00 N ATOM 740 CA ASP A 50 -13.414 -11.281 7.507 1.00 0.00 C ATOM 741 C ASP A 50 -13.311 -9.796 7.456 1.00 0.00 C ATOM 742 O ASP A 50 -13.562 -9.169 8.484 1.00 0.00 O ATOM 743 CB ASP A 50 -12.064 -11.955 7.209 1.00 0.00 C ATOM 744 CG ASP A 50 -11.041 -11.836 8.330 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.578 -10.691 8.578 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.729 -12.809 9.068 1.00 0.00 O ATOM 0 H ASP A 50 -13.975 -12.635 6.056 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.756 -11.433 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.237 -13.011 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.645 -11.517 6.303 1.00 0.00 H new ATOM 751 N MET A 51 -13.073 -9.227 6.261 1.00 0.00 N ATOM 752 CA MET A 51 -13.051 -7.802 6.140 1.00 0.00 C ATOM 753 C MET A 51 -14.398 -7.168 6.202 1.00 0.00 C ATOM 754 O MET A 51 -14.528 -6.017 6.615 1.00 0.00 O ATOM 755 CB MET A 51 -12.552 -7.393 4.744 1.00 0.00 C ATOM 756 CG MET A 51 -13.224 -8.074 3.549 1.00 0.00 C ATOM 757 SD MET A 51 -12.587 -7.371 1.998 1.00 0.00 S ATOM 758 CE MET A 51 -11.027 -8.297 1.921 1.00 0.00 C ATOM 0 H MET A 51 -12.899 -9.739 5.396 1.00 0.00 H new ATOM 0 HA MET A 51 -12.420 -7.479 6.968 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.680 -6.316 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.482 -7.593 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.035 -9.147 3.577 1.00 0.00 H new ATOM 0 HG3 MET A 51 -14.304 -7.940 3.603 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.197 -7.601 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.894 -8.864 2.843 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.052 -8.983 1.074 1.00 0.00 H new ATOM 768 N ILE A 52 -15.533 -7.888 6.150 1.00 0.00 N ATOM 769 CA ILE A 52 -16.828 -7.372 6.467 1.00 0.00 C ATOM 770 C ILE A 52 -17.031 -7.224 7.935 1.00 0.00 C ATOM 771 O ILE A 52 -17.616 -6.238 8.381 1.00 0.00 O ATOM 772 CB ILE A 52 -17.920 -8.148 5.791 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.867 -7.161 5.088 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.808 -9.001 6.712 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.211 -6.508 3.872 1.00 0.00 C ATOM 0 H ILE A 52 -15.549 -8.870 5.876 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.882 -6.362 6.061 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.395 -8.830 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.770 -7.685 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.174 -6.389 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.561 -9.516 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.193 -9.735 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.300 -8.357 7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.915 -5.818 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.322 -5.961 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.927 -7.278 3.154 1.00 0.00 H new ATOM 787 N ASN A 53 -16.573 -8.172 8.771 1.00 0.00 N ATOM 788 CA ASN A 53 -16.568 -8.093 10.199 1.00 0.00 C ATOM 789 C ASN A 53 -15.681 -6.997 10.681 1.00 0.00 C ATOM 790 O ASN A 53 -15.982 -6.368 11.695 1.00 0.00 O ATOM 791 CB ASN A 53 -16.077 -9.462 10.699 1.00 0.00 C ATOM 792 CG ASN A 53 -17.178 -10.513 10.706 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.359 -10.224 10.885 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.687 -11.779 10.634 1.00 0.00 N ATOM 0 H ASN A 53 -16.181 -9.049 8.428 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.563 -7.864 10.581 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.258 -9.803 10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.677 -9.354 11.707 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.316 -12.576 10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.690 -11.931 10.483 1.00 0.00 H new ATOM 801 N GLU A 54 -14.522 -6.770 10.038 1.00 0.00 N ATOM 802 CA GLU A 54 -13.575 -5.771 10.426 1.00 0.00 C ATOM 803 C GLU A 54 -14.194 -4.416 10.445 1.00 0.00 C ATOM 804 O GLU A 54 -14.193 -3.687 11.435 1.00 0.00 O ATOM 805 CB GLU A 54 -12.295 -5.884 9.581 1.00 0.00 C ATOM 806 CG GLU A 54 -11.129 -5.132 10.225 1.00 0.00 C ATOM 807 CD GLU A 54 -9.688 -5.601 10.090 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.258 -6.498 10.864 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.950 -4.933 9.318 1.00 0.00 O ATOM 0 H GLU A 54 -14.233 -7.302 9.217 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.262 -5.946 11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.029 -6.934 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.480 -5.485 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.164 -4.112 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.342 -5.078 11.293 1.00 0.00 H new ATOM 816 N VAL A 55 -14.833 -4.009 9.334 1.00 0.00 N ATOM 817 CA VAL A 55 -15.039 -2.658 8.914 1.00 0.00 C ATOM 818 C VAL A 55 -16.319 -2.079 9.410 1.00 0.00 C ATOM 819 O VAL A 55 -16.582 -0.881 9.311 1.00 0.00 O ATOM 820 CB VAL A 55 -15.043 -2.480 7.425 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.623 -2.912 7.021 1.00 0.00 C ATOM 822 CG2 VAL A 55 -16.110 -3.371 6.767 1.00 0.00 C ATOM 0 H VAL A 55 -15.237 -4.679 8.679 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.186 -2.138 9.349 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.284 -1.464 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.509 -2.822 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.893 -2.272 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.459 -3.948 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.092 -3.223 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.901 -4.417 6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.094 -3.106 7.153 1.00 0.00 H new ATOM 832 N ASP A 56 -17.186 -2.896 10.034 1.00 0.00 N ATOM 833 CA ASP A 56 -18.465 -2.500 10.535 1.00 0.00 C ATOM 834 C ASP A 56 -18.409 -1.879 11.888 1.00 0.00 C ATOM 835 O ASP A 56 -17.948 -2.550 12.810 1.00 0.00 O ATOM 836 CB ASP A 56 -19.391 -3.728 10.546 1.00 0.00 C ATOM 837 CG ASP A 56 -20.808 -3.314 10.913 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.496 -2.527 10.210 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.315 -3.963 11.867 1.00 0.00 O ATOM 0 H ASP A 56 -16.984 -3.882 10.197 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.853 -1.727 9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.386 -4.205 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.023 -4.464 11.261 1.00 0.00 H new ATOM 844 N ALA A 57 -18.804 -0.595 11.966 1.00 0.00 N ATOM 845 CA ALA A 57 -18.831 0.176 13.170 1.00 0.00 C ATOM 846 C ALA A 57 -20.176 0.091 13.806 1.00 0.00 C ATOM 847 O ALA A 57 -20.273 -0.385 14.936 1.00 0.00 O ATOM 848 CB ALA A 57 -18.301 1.610 12.999 1.00 0.00 C ATOM 0 H ALA A 57 -19.119 -0.070 11.150 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.119 -0.268 13.865 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.353 2.133 13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.266 1.577 12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.908 2.137 12.263 1.00 0.00 H new ATOM 854 N ASP A 58 -21.264 0.421 13.088 1.00 0.00 N ATOM 855 CA ASP A 58 -22.588 0.623 13.592 1.00 0.00 C ATOM 856 C ASP A 58 -23.242 -0.616 14.099 1.00 0.00 C ATOM 857 O ASP A 58 -23.932 -0.683 15.115 1.00 0.00 O ATOM 858 CB ASP A 58 -23.464 1.383 12.581 1.00 0.00 C ATOM 859 CG ASP A 58 -23.560 0.746 11.202 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.132 -0.350 10.958 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.079 1.319 10.188 1.00 0.00 O ATOM 0 H ASP A 58 -21.213 0.557 12.078 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.478 1.254 14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.469 1.475 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.071 2.394 12.471 1.00 0.00 H new ATOM 866 N GLY A 59 -23.032 -1.716 13.354 1.00 0.00 N ATOM 867 CA GLY A 59 -23.597 -2.953 13.795 1.00 0.00 C ATOM 868 C GLY A 59 -24.247 -3.865 12.811 1.00 0.00 C ATOM 869 O GLY A 59 -24.532 -4.988 13.222 1.00 0.00 O ATOM 0 H GLY A 59 -22.497 -1.753 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.803 -3.517 14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.338 -2.718 14.559 1.00 0.00 H new ATOM 873 N ASN A 60 -24.714 -3.480 11.610 1.00 0.00 N ATOM 874 CA ASN A 60 -25.384 -4.270 10.624 1.00 0.00 C ATOM 875 C ASN A 60 -24.579 -5.339 9.968 1.00 0.00 C ATOM 876 O ASN A 60 -25.103 -6.266 9.352 1.00 0.00 O ATOM 877 CB ASN A 60 -26.210 -3.412 9.652 1.00 0.00 C ATOM 878 CG ASN A 60 -25.405 -2.394 8.858 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.187 -2.555 8.907 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.025 -1.392 8.177 1.00 0.00 N ATOM 0 H ASN A 60 -24.610 -2.514 11.300 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.094 -4.862 11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.724 -4.072 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.979 -2.885 10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.472 -0.709 7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.043 -1.324 8.184 1.00 0.00 H new ATOM 887 N GLY A 61 -23.237 -5.275 10.023 1.00 0.00 N ATOM 888 CA GLY A 61 -22.361 -6.306 9.560 1.00 0.00 C ATOM 889 C GLY A 61 -22.056 -6.156 8.109 1.00 0.00 C ATOM 890 O GLY A 61 -21.335 -6.884 7.429 1.00 0.00 O ATOM 0 H GLY A 61 -22.741 -4.470 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.433 -6.280 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.818 -7.280 9.738 1.00 0.00 H new ATOM 894 N THR A 62 -22.611 -5.112 7.468 1.00 0.00 N ATOM 895 CA THR A 62 -22.439 -4.591 6.148 1.00 0.00 C ATOM 896 C THR A 62 -22.133 -3.135 6.058 1.00 0.00 C ATOM 897 O THR A 62 -22.224 -2.348 6.998 1.00 0.00 O ATOM 898 CB THR A 62 -23.622 -4.922 5.288 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.859 -4.714 5.953 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.590 -6.428 4.976 1.00 0.00 C ATOM 0 H THR A 62 -23.294 -4.543 7.968 1.00 0.00 H new ATOM 0 HA THR A 62 -21.543 -5.090 5.779 1.00 0.00 H new ATOM 0 HB THR A 62 -23.557 -4.281 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.597 -4.942 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.444 -6.688 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.667 -6.671 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.636 -6.993 5.907 1.00 0.00 H new ATOM 908 N ILE A 63 -21.571 -2.671 4.928 1.00 0.00 N ATOM 909 CA ILE A 63 -20.818 -1.459 4.832 1.00 0.00 C ATOM 910 C ILE A 63 -21.717 -0.379 4.335 1.00 0.00 C ATOM 911 O ILE A 63 -22.170 -0.579 3.209 1.00 0.00 O ATOM 912 CB ILE A 63 -19.601 -1.535 3.957 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.963 -2.910 3.698 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.557 -0.653 4.662 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.642 -2.888 2.931 1.00 0.00 C ATOM 0 H ILE A 63 -21.645 -3.165 4.039 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.442 -1.254 5.834 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.923 -1.227 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.798 -3.401 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.674 -3.523 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.632 -0.653 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.935 0.366 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.363 -1.046 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.279 -3.908 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.797 -2.432 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.907 -2.309 3.489 1.00 0.00 H new ATOM 927 N ASP A 64 -21.935 0.612 5.217 1.00 0.00 N ATOM 928 CA ASP A 64 -22.744 1.724 4.825 1.00 0.00 C ATOM 929 C ASP A 64 -22.026 2.864 4.188 1.00 0.00 C ATOM 930 O ASP A 64 -20.841 2.696 3.903 1.00 0.00 O ATOM 931 CB ASP A 64 -23.419 2.263 6.098 1.00 0.00 C ATOM 932 CG ASP A 64 -24.357 1.217 6.685 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.848 0.359 7.454 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.599 1.229 6.471 1.00 0.00 O ATOM 0 H ASP A 64 -21.567 0.647 6.168 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.429 1.344 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.661 2.534 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.976 3.171 5.866 1.00 0.00 H new ATOM 939 N PHE A 65 -22.467 4.135 4.175 1.00 0.00 N ATOM 940 CA PHE A 65 -21.688 5.248 3.729 1.00 0.00 C ATOM 941 C PHE A 65 -20.747 5.714 4.786 1.00 0.00 C ATOM 942 O PHE A 65 -19.651 6.060 4.348 1.00 0.00 O ATOM 943 CB PHE A 65 -22.489 6.448 3.195 1.00 0.00 C ATOM 944 CG PHE A 65 -21.674 7.457 2.462 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.093 7.093 1.270 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.459 8.700 3.008 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.152 7.935 0.726 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.580 9.574 2.412 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.918 9.174 1.276 1.00 0.00 C ATOM 0 H PHE A 65 -23.402 4.397 4.487 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.139 4.850 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.272 6.080 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.985 6.939 4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.368 6.173 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.982 8.991 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.591 7.621 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.413 10.556 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.206 9.840 0.810 1.00 0.00 H new ATOM 959 N PRO A 66 -20.909 5.771 6.075 1.00 0.00 N ATOM 960 CA PRO A 66 -19.895 6.237 6.976 1.00 0.00 C ATOM 961 C PRO A 66 -18.719 5.327 7.071 1.00 0.00 C ATOM 962 O PRO A 66 -17.605 5.843 7.003 1.00 0.00 O ATOM 963 CB PRO A 66 -20.606 6.256 8.328 1.00 0.00 C ATOM 964 CG PRO A 66 -22.055 6.609 7.959 1.00 0.00 C ATOM 965 CD PRO A 66 -22.196 5.676 6.746 1.00 0.00 C ATOM 0 HA PRO A 66 -19.497 7.196 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.542 5.290 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.171 6.995 9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.764 6.383 8.755 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.186 7.661 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.411 4.652 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.010 5.991 6.093 1.00 0.00 H new ATOM 973 N GLU A 67 -18.856 3.989 7.038 1.00 0.00 N ATOM 974 CA GLU A 67 -17.711 3.133 7.001 1.00 0.00 C ATOM 975 C GLU A 67 -17.095 3.119 5.644 1.00 0.00 C ATOM 976 O GLU A 67 -15.889 2.905 5.531 1.00 0.00 O ATOM 977 CB GLU A 67 -18.110 1.732 7.497 1.00 0.00 C ATOM 978 CG GLU A 67 -19.028 1.792 8.719 1.00 0.00 C ATOM 979 CD GLU A 67 -20.095 0.706 8.717 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.863 0.624 7.722 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.337 0.098 9.794 1.00 0.00 O ATOM 0 H GLU A 67 -19.753 3.503 7.037 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.941 3.516 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.612 1.193 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.212 1.167 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.426 1.700 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.511 2.768 8.755 1.00 0.00 H new ATOM 988 N PHE A 68 -17.876 3.306 4.564 1.00 0.00 N ATOM 989 CA PHE A 68 -17.296 3.456 3.266 1.00 0.00 C ATOM 990 C PHE A 68 -16.474 4.691 3.126 1.00 0.00 C ATOM 991 O PHE A 68 -15.398 4.710 2.532 1.00 0.00 O ATOM 992 CB PHE A 68 -18.384 3.368 2.182 1.00 0.00 C ATOM 993 CG PHE A 68 -17.857 3.233 0.795 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.595 1.966 0.329 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.640 4.289 -0.058 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.088 1.798 -0.938 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.142 4.081 -1.323 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.976 2.821 -1.849 1.00 0.00 C ATOM 0 H PHE A 68 -18.895 3.353 4.588 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.599 2.629 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.028 2.516 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.008 4.260 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.787 1.107 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.863 5.294 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.761 0.812 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.872 4.937 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.774 2.649 -2.896 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.869 5.843 3.696 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.142 7.074 3.674 1.00 0.00 C ATOM 1010 C LEU A 69 -14.858 6.990 4.425 1.00 0.00 C ATOM 1011 O LEU A 69 -13.917 7.712 4.099 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.106 8.230 3.992 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.500 9.609 4.302 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.212 10.336 2.978 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.481 10.525 5.052 1.00 0.00 C ATOM 0 H LEU A 69 -17.751 5.919 4.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.767 7.302 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.781 8.345 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.714 7.933 4.846 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.611 9.428 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.782 11.316 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.509 9.750 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.141 10.459 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.005 11.486 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.373 10.678 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.762 10.061 5.997 1.00 0.00 H new ATOM 1027 N THR A 70 -14.821 6.084 5.418 1.00 0.00 N ATOM 1028 CA THR A 70 -13.672 5.787 6.215 1.00 0.00 C ATOM 1029 C THR A 70 -12.684 4.960 5.466 1.00 0.00 C ATOM 1030 O THR A 70 -11.484 5.224 5.509 1.00 0.00 O ATOM 1031 CB THR A 70 -14.050 5.067 7.475 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.891 5.956 8.195 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.852 4.824 8.409 1.00 0.00 C ATOM 0 H THR A 70 -15.637 5.529 5.678 1.00 0.00 H new ATOM 0 HA THR A 70 -13.217 6.744 6.469 1.00 0.00 H new ATOM 0 HB THR A 70 -14.493 4.110 7.198 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.789 5.945 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.188 4.300 9.303 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.105 4.220 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.412 5.780 8.693 1.00 0.00 H new ATOM 1041 N MET A 71 -13.125 3.952 4.693 1.00 0.00 N ATOM 1042 CA MET A 71 -12.233 3.180 3.884 1.00 0.00 C ATOM 1043 C MET A 71 -11.633 4.015 2.805 1.00 0.00 C ATOM 1044 O MET A 71 -10.492 3.764 2.421 1.00 0.00 O ATOM 1045 CB MET A 71 -12.805 1.840 3.394 1.00 0.00 C ATOM 1046 CG MET A 71 -13.763 1.792 2.202 1.00 0.00 C ATOM 1047 SD MET A 71 -14.926 0.395 2.178 1.00 0.00 S ATOM 1048 CE MET A 71 -13.728 -0.828 1.570 1.00 0.00 C ATOM 0 H MET A 71 -14.103 3.670 4.628 1.00 0.00 H new ATOM 0 HA MET A 71 -11.419 2.867 4.538 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.958 1.198 3.151 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.320 1.382 4.239 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.337 2.718 2.184 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.173 1.765 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.217 -1.797 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.346 -0.512 0.600 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.902 -0.910 2.276 1.00 0.00 H new ATOM 1058 N MET A 72 -12.396 4.991 2.280 1.00 0.00 N ATOM 1059 CA MET A 72 -11.864 5.879 1.294 1.00 0.00 C ATOM 1060 C MET A 72 -11.082 7.062 1.750 1.00 0.00 C ATOM 1061 O MET A 72 -10.060 7.430 1.173 1.00 0.00 O ATOM 1062 CB MET A 72 -12.958 6.406 0.350 1.00 0.00 C ATOM 1063 CG MET A 72 -13.783 5.342 -0.377 1.00 0.00 C ATOM 1064 SD MET A 72 -12.757 4.284 -1.441 1.00 0.00 S ATOM 1065 CE MET A 72 -12.471 5.429 -2.822 1.00 0.00 C ATOM 0 H MET A 72 -13.369 5.164 2.534 1.00 0.00 H new ATOM 0 HA MET A 72 -11.148 5.218 0.804 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.637 7.033 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.489 7.047 -0.396 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.301 4.723 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.548 5.829 -0.982 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.025 4.888 -3.657 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.420 5.863 -3.137 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.797 6.223 -2.502 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.302 7.605 2.961 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.270 8.316 3.649 1.00 0.00 C ATOM 1077 C ALA A 73 -8.992 7.615 3.959 1.00 0.00 C ATOM 1078 O ALA A 73 -7.905 8.169 3.801 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.882 8.818 4.968 1.00 0.00 C ATOM 0 H ALA A 73 -12.189 7.552 3.461 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.955 9.087 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.129 9.370 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.726 9.473 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.225 7.967 5.557 1.00 0.00 H new ATOM 1234 N GLU A 83 3.104 4.805 -4.304 1.00 0.00 N ATOM 1235 CA GLU A 83 4.401 5.216 -4.742 1.00 0.00 C ATOM 1236 C GLU A 83 5.612 5.173 -3.875 1.00 0.00 C ATOM 1237 O GLU A 83 6.763 4.998 -4.272 1.00 0.00 O ATOM 1238 CB GLU A 83 4.344 6.680 -5.211 1.00 0.00 C ATOM 1239 CG GLU A 83 3.789 6.913 -6.617 1.00 0.00 C ATOM 1240 CD GLU A 83 4.700 6.397 -7.722 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.847 6.904 -7.841 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.318 5.493 -8.513 1.00 0.00 O ATOM 0 HA GLU A 83 4.566 4.422 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.736 7.244 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.351 7.094 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.817 6.426 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.624 7.981 -6.762 1.00 0.00 H new ATOM 1249 N GLU A 84 5.461 5.320 -2.547 1.00 0.00 N ATOM 1250 CA GLU A 84 6.450 5.210 -1.520 1.00 0.00 C ATOM 1251 C GLU A 84 7.024 3.839 -1.414 1.00 0.00 C ATOM 1252 O GLU A 84 8.229 3.593 -1.461 1.00 0.00 O ATOM 1253 CB GLU A 84 5.822 5.719 -0.211 1.00 0.00 C ATOM 1254 CG GLU A 84 6.776 6.003 0.950 1.00 0.00 C ATOM 1255 CD GLU A 84 5.921 6.464 2.122 1.00 0.00 C ATOM 1256 OE1 GLU A 84 5.525 7.660 2.143 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.708 5.697 3.099 1.00 0.00 O ATOM 0 H GLU A 84 4.546 5.540 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 84 7.313 5.829 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.274 6.635 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.091 4.983 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.342 5.109 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.501 6.769 0.676 1.00 0.00 H new ATOM 1264 N ILE A 85 6.115 2.848 -1.405 1.00 0.00 N ATOM 1265 CA ILE A 85 6.416 1.451 -1.426 1.00 0.00 C ATOM 1266 C ILE A 85 6.913 1.014 -2.761 1.00 0.00 C ATOM 1267 O ILE A 85 7.733 0.101 -2.846 1.00 0.00 O ATOM 1268 CB ILE A 85 5.426 0.558 -0.739 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.210 0.392 -1.666 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.989 1.176 0.600 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.222 -0.612 -1.074 1.00 0.00 C ATOM 0 H ILE A 85 5.112 3.034 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 85 7.265 1.311 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 85 5.878 -0.412 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.719 1.355 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.538 0.053 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.270 0.517 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.860 1.303 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.527 2.146 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.367 -0.718 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.712 -1.578 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.881 -0.257 -0.102 1.00 0.00 H new ATOM 1283 N ARG A 86 6.474 1.645 -3.865 1.00 0.00 N ATOM 1284 CA ARG A 86 7.017 1.377 -5.160 1.00 0.00 C ATOM 1285 C ARG A 86 8.445 1.785 -5.277 1.00 0.00 C ATOM 1286 O ARG A 86 9.142 0.979 -5.891 1.00 0.00 O ATOM 1287 CB ARG A 86 6.143 2.118 -6.186 1.00 0.00 C ATOM 1288 CG ARG A 86 6.374 1.662 -7.628 1.00 0.00 C ATOM 1289 CD ARG A 86 5.345 2.164 -8.642 1.00 0.00 C ATOM 1290 NE ARG A 86 5.537 1.332 -9.863 1.00 0.00 N ATOM 1291 CZ ARG A 86 4.537 1.048 -10.747 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.449 1.857 -10.910 1.00 0.00 N ATOM 1293 NH2 ARG A 86 4.692 0.030 -11.643 1.00 0.00 N ATOM 0 H ARG A 86 5.735 2.348 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 86 7.005 0.302 -5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.094 1.971 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.342 3.187 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.363 1.994 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.381 0.572 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.332 2.061 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.496 3.221 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 86 6.466 0.954 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.362 2.711 -10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.724 1.607 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.554 -0.516 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.946 -0.185 -12.305 1.00 0.00 H new ATOM 1307 N GLU A 87 8.879 2.983 -4.843 1.00 0.00 N ATOM 1308 CA GLU A 87 10.281 3.247 -4.743 1.00 0.00 C ATOM 1309 C GLU A 87 11.078 2.266 -3.954 1.00 0.00 C ATOM 1310 O GLU A 87 12.161 1.810 -4.315 1.00 0.00 O ATOM 1311 CB GLU A 87 10.464 4.751 -4.480 1.00 0.00 C ATOM 1312 CG GLU A 87 11.951 5.098 -4.393 1.00 0.00 C ATOM 1313 CD GLU A 87 11.994 6.609 -4.214 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.812 7.313 -5.244 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.411 7.065 -3.117 1.00 0.00 O ATOM 0 H GLU A 87 8.272 3.755 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 87 10.773 3.043 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.996 5.326 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.964 5.028 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.427 4.588 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.481 4.792 -5.295 1.00 0.00 H new ATOM 1322 N ALA A 88 10.488 2.005 -2.773 1.00 0.00 N ATOM 1323 CA ALA A 88 11.162 1.103 -1.892 1.00 0.00 C ATOM 1324 C ALA A 88 11.215 -0.269 -2.472 1.00 0.00 C ATOM 1325 O ALA A 88 12.085 -1.040 -2.070 1.00 0.00 O ATOM 1326 CB ALA A 88 10.493 1.090 -0.507 1.00 0.00 C ATOM 0 H ALA A 88 9.603 2.389 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 88 12.187 1.454 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.023 0.397 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.527 2.091 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.455 0.773 -0.607 1.00 0.00 H new ATOM 1332 N PHE A 89 10.298 -0.667 -3.371 1.00 0.00 N ATOM 1333 CA PHE A 89 10.229 -1.962 -3.973 1.00 0.00 C ATOM 1334 C PHE A 89 11.511 -2.305 -4.651 1.00 0.00 C ATOM 1335 O PHE A 89 12.115 -3.360 -4.464 1.00 0.00 O ATOM 1336 CB PHE A 89 8.921 -2.217 -4.741 1.00 0.00 C ATOM 1337 CG PHE A 89 8.865 -3.532 -5.438 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.482 -4.631 -4.706 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.221 -3.603 -6.764 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.473 -5.843 -5.353 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.180 -4.846 -7.351 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.896 -5.996 -6.653 1.00 0.00 C ATOM 0 H PHE A 89 9.559 -0.045 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 89 10.143 -2.713 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.086 -2.153 -4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.784 -1.424 -5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.200 -4.545 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.519 -2.725 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.119 -6.712 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.380 -4.922 -8.410 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.000 -6.972 -7.103 1.00 0.00 H new ATOM 1352 N ARG A 90 12.107 -1.407 -5.456 1.00 0.00 N ATOM 1353 CA ARG A 90 13.296 -1.523 -6.241 1.00 0.00 C ATOM 1354 C ARG A 90 14.513 -1.170 -5.457 1.00 0.00 C ATOM 1355 O ARG A 90 15.656 -1.355 -5.872 1.00 0.00 O ATOM 1356 CB ARG A 90 13.097 -0.642 -7.486 1.00 0.00 C ATOM 1357 CG ARG A 90 14.036 -0.795 -8.684 1.00 0.00 C ATOM 1358 CD ARG A 90 13.734 -0.090 -10.008 1.00 0.00 C ATOM 1359 NE ARG A 90 12.334 -0.395 -10.418 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.573 0.472 -11.147 1.00 0.00 C ATOM 1361 NH1 ARG A 90 12.035 1.654 -11.651 1.00 0.00 N ATOM 1362 NH2 ARG A 90 10.293 0.179 -11.518 1.00 0.00 N ATOM 0 H ARG A 90 11.697 -0.480 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 90 13.463 -2.555 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.082 -0.811 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.151 0.397 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.023 -0.464 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.112 -1.861 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.867 0.986 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.431 -0.421 -10.777 1.00 0.00 H new ATOM 0 HE ARG A 90 11.928 -1.289 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.003 1.934 -11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.413 2.257 -12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.876 -0.712 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.753 0.851 -12.063 1.00 0.00 H new ATOM 1376 N VAL A 91 14.305 -0.659 -4.231 1.00 0.00 N ATOM 1377 CA VAL A 91 15.337 -0.624 -3.241 1.00 0.00 C ATOM 1378 C VAL A 91 15.427 -1.973 -2.613 1.00 0.00 C ATOM 1379 O VAL A 91 16.573 -2.419 -2.605 1.00 0.00 O ATOM 1380 CB VAL A 91 15.274 0.343 -2.096 1.00 0.00 C ATOM 1381 CG1 VAL A 91 16.282 0.214 -0.942 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.267 1.740 -2.740 1.00 0.00 C ATOM 0 H VAL A 91 13.415 -0.267 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 91 16.184 -0.281 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 91 14.370 0.109 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.091 0.993 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.176 -0.764 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.295 0.322 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.222 2.500 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.176 1.875 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.398 1.836 -3.391 1.00 0.00 H new ATOM 1392 N PHE A 92 14.374 -2.643 -2.112 1.00 0.00 N ATOM 1393 CA PHE A 92 14.273 -3.945 -1.530 1.00 0.00 C ATOM 1394 C PHE A 92 14.696 -5.024 -2.466 1.00 0.00 C ATOM 1395 O PHE A 92 15.299 -5.990 -2.001 1.00 0.00 O ATOM 1396 CB PHE A 92 12.914 -4.343 -0.929 1.00 0.00 C ATOM 1397 CG PHE A 92 12.385 -3.306 0.001 1.00 0.00 C ATOM 1398 CD1 PHE A 92 13.221 -2.834 0.985 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.040 -3.029 0.079 1.00 0.00 C ATOM 1400 CE1 PHE A 92 12.827 -1.813 1.818 1.00 0.00 C ATOM 1401 CE2 PHE A 92 10.613 -2.096 0.994 1.00 0.00 C ATOM 1402 CZ PHE A 92 11.479 -1.565 1.920 1.00 0.00 C ATOM 0 H PHE A 92 13.457 -2.197 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 92 14.962 -3.851 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.197 -4.507 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.017 -5.288 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.201 -3.271 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.335 -3.534 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.548 -1.229 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.582 -1.775 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.101 -0.954 2.726 1.00 0.00 H new ATOM 1412 N ASP A 93 14.430 -4.979 -3.783 1.00 0.00 N ATOM 1413 CA ASP A 93 14.910 -5.905 -4.762 1.00 0.00 C ATOM 1414 C ASP A 93 16.350 -5.652 -5.047 1.00 0.00 C ATOM 1415 O ASP A 93 16.799 -4.572 -5.429 1.00 0.00 O ATOM 1416 CB ASP A 93 14.074 -5.798 -6.049 1.00 0.00 C ATOM 1417 CG ASP A 93 14.416 -6.937 -6.999 1.00 0.00 C ATOM 1418 OD1 ASP A 93 14.686 -8.045 -6.464 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.495 -6.678 -8.230 1.00 0.00 O ATOM 0 H ASP A 93 13.843 -4.250 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 93 14.810 -6.917 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.012 -5.826 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.264 -4.841 -6.535 1.00 0.00 H new ATOM 1424 N LYS A 94 17.143 -6.695 -4.745 1.00 0.00 N ATOM 1425 CA LYS A 94 18.566 -6.578 -4.670 1.00 0.00 C ATOM 1426 C LYS A 94 19.295 -6.718 -5.962 1.00 0.00 C ATOM 1427 O LYS A 94 19.931 -5.786 -6.452 1.00 0.00 O ATOM 1428 CB LYS A 94 19.127 -7.528 -3.598 1.00 0.00 C ATOM 1429 CG LYS A 94 20.503 -7.171 -3.032 1.00 0.00 C ATOM 1430 CD LYS A 94 21.649 -7.997 -3.621 1.00 0.00 C ATOM 1431 CE LYS A 94 23.035 -7.720 -3.035 1.00 0.00 C ATOM 1432 NZ LYS A 94 23.177 -8.227 -1.652 1.00 0.00 N ATOM 0 H LYS A 94 16.792 -7.633 -4.550 1.00 0.00 H new ATOM 0 HA LYS A 94 18.750 -5.544 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.417 -7.570 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.181 -8.530 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.698 -6.114 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.487 -7.309 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.420 -9.054 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.687 -7.818 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.793 -8.183 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.223 -6.646 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.133 -8.015 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.473 -7.767 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.025 -9.256 -1.642 1.00 0.00 H new ATOM 1446 N ASP A 95 19.213 -7.866 -6.657 1.00 0.00 N ATOM 1447 CA ASP A 95 19.855 -8.153 -7.902 1.00 0.00 C ATOM 1448 C ASP A 95 19.508 -7.260 -9.043 1.00 0.00 C ATOM 1449 O ASP A 95 20.255 -7.113 -10.009 1.00 0.00 O ATOM 1450 CB ASP A 95 19.671 -9.647 -8.221 1.00 0.00 C ATOM 1451 CG ASP A 95 18.202 -10.045 -8.171 1.00 0.00 C ATOM 1452 OD1 ASP A 95 17.228 -9.309 -8.481 1.00 0.00 O ATOM 1453 OD2 ASP A 95 17.975 -11.149 -7.607 1.00 0.00 O ATOM 0 H ASP A 95 18.656 -8.652 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 95 20.913 -7.928 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 95 20.075 -9.863 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 95 20.237 -10.246 -7.508 1.00 0.00 H new ATOM 1458 N GLY A 96 18.309 -6.652 -9.094 1.00 0.00 N ATOM 1459 CA GLY A 96 17.937 -5.830 -10.203 1.00 0.00 C ATOM 1460 C GLY A 96 17.073 -6.457 -11.243 1.00 0.00 C ATOM 1461 O GLY A 96 16.843 -5.929 -12.330 1.00 0.00 O ATOM 0 H GLY A 96 17.598 -6.730 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.421 -4.951 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.849 -5.477 -10.686 1.00 0.00 H new ATOM 1465 N ASN A 97 16.521 -7.673 -11.084 1.00 0.00 N ATOM 1466 CA ASN A 97 15.600 -8.259 -12.007 1.00 0.00 C ATOM 1467 C ASN A 97 14.213 -7.716 -11.982 1.00 0.00 C ATOM 1468 O ASN A 97 13.535 -7.640 -13.005 1.00 0.00 O ATOM 1469 CB ASN A 97 15.569 -9.797 -11.973 1.00 0.00 C ATOM 1470 CG ASN A 97 14.927 -10.441 -10.753 1.00 0.00 C ATOM 1471 OD1 ASN A 97 14.774 -9.915 -9.652 1.00 0.00 O ATOM 1472 ND2 ASN A 97 14.383 -11.668 -10.970 1.00 0.00 N ATOM 0 H ASN A 97 16.724 -8.270 -10.282 1.00 0.00 H new ATOM 0 HA ASN A 97 16.027 -7.946 -12.960 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.040 -10.146 -12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.594 -10.160 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.861 -12.133 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.497 -12.124 -11.875 1.00 0.00 H new ATOM 1479 N GLY A 98 13.643 -7.274 -10.846 1.00 0.00 N ATOM 1480 CA GLY A 98 12.264 -6.906 -10.762 1.00 0.00 C ATOM 1481 C GLY A 98 11.422 -7.628 -9.767 1.00 0.00 C ATOM 1482 O GLY A 98 10.288 -7.260 -9.463 1.00 0.00 O ATOM 0 H GLY A 98 14.151 -7.170 -9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.213 -5.841 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.817 -7.046 -11.746 1.00 0.00 H new ATOM 1486 N TYR A 99 11.938 -8.777 -9.296 1.00 0.00 N ATOM 1487 CA TYR A 99 11.228 -9.565 -8.337 1.00 0.00 C ATOM 1488 C TYR A 99 11.894 -9.889 -7.044 1.00 0.00 C ATOM 1489 O TYR A 99 13.028 -10.360 -6.973 1.00 0.00 O ATOM 1490 CB TYR A 99 10.847 -10.958 -8.865 1.00 0.00 C ATOM 1491 CG TYR A 99 10.214 -10.814 -10.206 1.00 0.00 C ATOM 1492 CD1 TYR A 99 10.949 -10.733 -11.366 1.00 0.00 C ATOM 1493 CD2 TYR A 99 8.842 -10.893 -10.207 1.00 0.00 C ATOM 1494 CE1 TYR A 99 10.209 -10.562 -12.512 1.00 0.00 C ATOM 1495 CE2 TYR A 99 8.167 -10.639 -11.378 1.00 0.00 C ATOM 1496 CZ TYR A 99 8.842 -10.422 -12.556 1.00 0.00 C ATOM 1497 OH TYR A 99 8.256 -10.331 -13.837 1.00 0.00 O ATOM 0 H TYR A 99 12.841 -9.159 -9.577 1.00 0.00 H new ATOM 0 HA TYR A 99 10.397 -8.881 -8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 99 11.733 -11.590 -8.933 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.159 -11.447 -8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.027 -10.799 -11.376 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.305 -11.149 -9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.743 -10.536 -13.450 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.087 -10.609 -11.372 1.00 0.00 H new ATOM 0 HH TYR A 99 7.285 -10.236 -13.746 1.00 0.00 H new ATOM 1507 N ILE A 100 11.203 -9.679 -5.909 1.00 0.00 N ATOM 1508 CA ILE A 100 11.893 -9.925 -4.681 1.00 0.00 C ATOM 1509 C ILE A 100 11.680 -11.346 -4.286 1.00 0.00 C ATOM 1510 O ILE A 100 10.537 -11.774 -4.134 1.00 0.00 O ATOM 1511 CB ILE A 100 11.279 -9.220 -3.508 1.00 0.00 C ATOM 1512 CG1 ILE A 100 10.905 -7.763 -3.828 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.337 -9.256 -2.392 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.380 -6.883 -2.695 1.00 0.00 C ATOM 0 H ILE A 100 10.236 -9.362 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 100 12.921 -9.615 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 100 10.351 -9.714 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.788 -7.277 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.150 -7.779 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.948 -8.755 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.574 -10.292 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.239 -8.746 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.162 -5.887 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.470 -7.321 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.133 -6.812 -1.910 1.00 0.00 H new ATOM 1526 N SER A 101 12.769 -12.135 -4.331 1.00 0.00 N ATOM 1527 CA SER A 101 12.659 -13.493 -3.897 1.00 0.00 C ATOM 1528 C SER A 101 12.601 -13.542 -2.409 1.00 0.00 C ATOM 1529 O SER A 101 12.966 -12.555 -1.773 1.00 0.00 O ATOM 1530 CB SER A 101 13.961 -14.180 -4.344 1.00 0.00 C ATOM 1531 OG SER A 101 15.143 -13.656 -3.757 1.00 0.00 O ATOM 0 H SER A 101 13.693 -11.848 -4.655 1.00 0.00 H new ATOM 0 HA SER A 101 11.767 -13.968 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.895 -15.242 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.044 -14.100 -5.428 1.00 0.00 H new ATOM 0 HG SER A 101 15.168 -12.684 -3.882 1.00 0.00 H new ATOM 1537 N ALA A 102 12.124 -14.601 -1.730 1.00 0.00 N ATOM 1538 CA ALA A 102 12.094 -14.854 -0.323 1.00 0.00 C ATOM 1539 C ALA A 102 13.267 -14.423 0.489 1.00 0.00 C ATOM 1540 O ALA A 102 13.150 -14.022 1.646 1.00 0.00 O ATOM 1541 CB ALA A 102 12.064 -16.384 -0.173 1.00 0.00 C ATOM 0 H ALA A 102 11.706 -15.379 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 102 11.242 -14.283 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.040 -16.645 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.176 -16.780 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.955 -16.812 -0.633 1.00 0.00 H new ATOM 1547 N ALA A 103 14.462 -14.719 -0.051 1.00 0.00 N ATOM 1548 CA ALA A 103 15.719 -14.332 0.512 1.00 0.00 C ATOM 1549 C ALA A 103 16.188 -12.920 0.584 1.00 0.00 C ATOM 1550 O ALA A 103 16.606 -12.386 1.610 1.00 0.00 O ATOM 1551 CB ALA A 103 16.849 -15.169 -0.111 1.00 0.00 C ATOM 0 H ALA A 103 14.557 -15.250 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 103 15.480 -14.518 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 103 17.804 -14.870 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.674 -16.225 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.871 -15.005 -1.188 1.00 0.00 H new ATOM 1557 N GLU A 104 15.898 -12.229 -0.533 1.00 0.00 N ATOM 1558 CA GLU A 104 15.911 -10.800 -0.501 1.00 0.00 C ATOM 1559 C GLU A 104 14.866 -10.224 0.392 1.00 0.00 C ATOM 1560 O GLU A 104 15.188 -9.412 1.259 1.00 0.00 O ATOM 1561 CB GLU A 104 15.574 -10.343 -1.930 1.00 0.00 C ATOM 1562 CG GLU A 104 16.672 -10.655 -2.949 1.00 0.00 C ATOM 1563 CD GLU A 104 16.231 -10.493 -4.397 1.00 0.00 C ATOM 1564 OE1 GLU A 104 15.283 -11.220 -4.797 1.00 0.00 O ATOM 1565 OE2 GLU A 104 16.893 -9.763 -5.182 1.00 0.00 O ATOM 0 H GLU A 104 15.661 -12.645 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 104 16.882 -10.470 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.649 -10.824 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.390 -9.269 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.524 -10.001 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.016 -11.678 -2.796 1.00 0.00 H new ATOM 1572 N LEU A 105 13.687 -10.870 0.389 1.00 0.00 N ATOM 1573 CA LEU A 105 12.566 -10.525 1.207 1.00 0.00 C ATOM 1574 C LEU A 105 12.902 -10.594 2.657 1.00 0.00 C ATOM 1575 O LEU A 105 12.519 -9.707 3.418 1.00 0.00 O ATOM 1576 CB LEU A 105 11.204 -11.103 0.788 1.00 0.00 C ATOM 1577 CG LEU A 105 9.994 -10.489 1.512 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.784 -9.064 0.973 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.795 -11.445 1.394 1.00 0.00 C ATOM 0 H LEU A 105 13.507 -11.673 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 105 12.370 -9.472 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.079 -10.960 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.210 -12.178 0.968 1.00 0.00 H new ATOM 0 HG LEU A 105 10.149 -10.376 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.929 -8.608 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.676 -8.468 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.597 -9.105 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.934 -11.014 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.553 -11.597 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.047 -12.402 1.850 1.00 0.00 H new ATOM 1591 N ARG A 106 13.574 -11.675 3.092 1.00 0.00 N ATOM 1592 CA ARG A 106 13.781 -11.862 4.494 1.00 0.00 C ATOM 1593 C ARG A 106 14.964 -11.060 4.916 1.00 0.00 C ATOM 1594 O ARG A 106 15.055 -10.810 6.117 1.00 0.00 O ATOM 1595 CB ARG A 106 14.133 -13.283 4.966 1.00 0.00 C ATOM 1596 CG ARG A 106 15.588 -13.734 4.826 1.00 0.00 C ATOM 1597 CD ARG A 106 15.676 -15.257 4.940 1.00 0.00 C ATOM 1598 NE ARG A 106 15.151 -15.634 6.282 1.00 0.00 N ATOM 1599 CZ ARG A 106 14.550 -16.789 6.692 1.00 0.00 C ATOM 1600 NH1 ARG A 106 14.465 -17.814 5.794 1.00 0.00 N ATOM 1601 NH2 ARG A 106 14.184 -16.912 8.001 1.00 0.00 N ATOM 0 H ARG A 106 13.965 -12.401 2.492 1.00 0.00 H new ATOM 0 HA ARG A 106 12.818 -11.583 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.855 -13.367 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.509 -13.985 4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.987 -13.409 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 106 16.198 -13.267 5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.094 -15.735 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.707 -15.592 4.823 1.00 0.00 H new ATOM 0 HE ARG A 106 15.257 -14.921 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.844 -17.701 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.023 -18.693 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.361 -16.149 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.734 -17.767 8.326 1.00 0.00 H new ATOM 1615 N HIS A 107 15.900 -10.658 4.038 1.00 0.00 N ATOM 1616 CA HIS A 107 17.001 -9.858 4.479 1.00 0.00 C ATOM 1617 C HIS A 107 16.613 -8.431 4.661 1.00 0.00 C ATOM 1618 O HIS A 107 16.988 -7.784 5.637 1.00 0.00 O ATOM 1619 CB HIS A 107 18.045 -9.872 3.350 1.00 0.00 C ATOM 1620 CG HIS A 107 19.360 -9.177 3.545 1.00 0.00 C ATOM 1621 ND1 HIS A 107 20.189 -9.652 4.541 1.00 0.00 N ATOM 1622 CD2 HIS A 107 19.957 -8.094 2.979 1.00 0.00 C ATOM 1623 CE1 HIS A 107 21.243 -8.793 4.535 1.00 0.00 C ATOM 1624 NE2 HIS A 107 21.176 -7.876 3.588 1.00 0.00 N ATOM 0 H HIS A 107 15.897 -10.881 3.043 1.00 0.00 H new ATOM 0 HA HIS A 107 17.362 -10.259 5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.259 -10.915 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.575 -9.439 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.542 -7.498 2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.059 -8.855 5.240 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.870 -7.165 3.358 1.00 0.00 H new ATOM 1632 N VAL A 108 15.760 -7.882 3.778 1.00 0.00 N ATOM 1633 CA VAL A 108 15.381 -6.511 3.922 1.00 0.00 C ATOM 1634 C VAL A 108 14.267 -6.265 4.881 1.00 0.00 C ATOM 1635 O VAL A 108 14.329 -5.210 5.511 1.00 0.00 O ATOM 1636 CB VAL A 108 15.052 -5.742 2.677 1.00 0.00 C ATOM 1637 CG1 VAL A 108 16.278 -5.110 1.998 1.00 0.00 C ATOM 1638 CG2 VAL A 108 14.199 -6.659 1.784 1.00 0.00 C ATOM 0 H VAL A 108 15.343 -8.370 2.986 1.00 0.00 H new ATOM 0 HA VAL A 108 16.327 -6.132 4.309 1.00 0.00 H new ATOM 0 HB VAL A 108 14.465 -4.856 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 108 15.962 -4.571 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.760 -4.418 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.983 -5.893 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.939 -6.133 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.765 -7.558 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.288 -6.937 2.313 1.00 0.00 H new ATOM 1648 N MET A 109 13.312 -7.187 5.096 1.00 0.00 N ATOM 1649 CA MET A 109 12.420 -6.878 6.170 1.00 0.00 C ATOM 1650 C MET A 109 13.005 -6.986 7.535 1.00 0.00 C ATOM 1651 O MET A 109 12.550 -6.308 8.456 1.00 0.00 O ATOM 1652 CB MET A 109 11.136 -7.723 6.130 1.00 0.00 C ATOM 1653 CG MET A 109 10.259 -7.324 4.942 1.00 0.00 C ATOM 1654 SD MET A 109 9.812 -5.563 4.862 1.00 0.00 S ATOM 1655 CE MET A 109 10.466 -5.318 3.186 1.00 0.00 C ATOM 0 H MET A 109 13.162 -8.059 4.588 1.00 0.00 H new ATOM 0 HA MET A 109 12.192 -5.827 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.393 -8.780 6.059 1.00 0.00 H new ATOM 0 HB3 MET A 109 10.580 -7.592 7.058 1.00 0.00 H new ATOM 0 HG2 MET A 109 10.778 -7.592 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 109 9.343 -7.913 4.974 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.203 -4.320 2.835 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.551 -5.424 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.037 -6.063 2.516 1.00 0.00 H new ATOM 1665 N THR A 110 14.120 -7.724 7.681 1.00 0.00 N ATOM 1666 CA THR A 110 14.879 -7.763 8.892 1.00 0.00 C ATOM 1667 C THR A 110 15.807 -6.612 9.077 1.00 0.00 C ATOM 1668 O THR A 110 15.987 -6.070 10.167 1.00 0.00 O ATOM 1669 CB THR A 110 15.704 -9.012 8.987 1.00 0.00 C ATOM 1670 OG1 THR A 110 16.546 -9.282 7.876 1.00 0.00 O ATOM 1671 CG2 THR A 110 14.766 -10.218 9.171 1.00 0.00 C ATOM 0 H THR A 110 14.503 -8.308 6.938 1.00 0.00 H new ATOM 0 HA THR A 110 14.119 -7.724 9.673 1.00 0.00 H new ATOM 0 HB THR A 110 16.367 -8.847 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.060 -9.826 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 110 15.357 -11.131 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 110 14.185 -10.091 10.084 1.00 0.00 H new ATOM 0 HG23 THR A 110 14.091 -10.287 8.318 1.00 0.00 H new ATOM 1679 N ASN A 111 16.485 -6.161 8.007 1.00 0.00 N ATOM 1680 CA ASN A 111 17.174 -4.909 8.059 1.00 0.00 C ATOM 1681 C ASN A 111 16.354 -3.684 8.281 1.00 0.00 C ATOM 1682 O ASN A 111 16.810 -2.845 9.057 1.00 0.00 O ATOM 1683 CB ASN A 111 17.932 -4.601 6.757 1.00 0.00 C ATOM 1684 CG ASN A 111 18.966 -5.652 6.378 1.00 0.00 C ATOM 1685 OD1 ASN A 111 19.452 -6.554 7.060 1.00 0.00 O ATOM 1686 ND2 ASN A 111 19.491 -5.399 5.149 1.00 0.00 N ATOM 0 H ASN A 111 16.556 -6.655 7.117 1.00 0.00 H new ATOM 0 HA ASN A 111 17.811 -5.082 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 111 17.212 -4.505 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 111 18.430 -3.637 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.275 -5.953 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 111 19.100 -4.655 4.571 1.00 0.00 H new ATOM 1693 N LEU A 112 15.108 -3.558 7.793 1.00 0.00 N ATOM 1694 CA LEU A 112 14.073 -2.631 8.132 1.00 0.00 C ATOM 1695 C LEU A 112 13.690 -2.649 9.572 1.00 0.00 C ATOM 1696 O LEU A 112 13.643 -1.591 10.196 1.00 0.00 O ATOM 1697 CB LEU A 112 12.819 -2.691 7.243 1.00 0.00 C ATOM 1698 CG LEU A 112 11.985 -1.400 7.175 1.00 0.00 C ATOM 1699 CD1 LEU A 112 12.682 -0.229 6.462 1.00 0.00 C ATOM 1700 CD2 LEU A 112 10.650 -1.677 6.465 1.00 0.00 C ATOM 0 H LEU A 112 14.788 -4.194 7.063 1.00 0.00 H new ATOM 0 HA LEU A 112 14.550 -1.673 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 112 13.126 -2.957 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 112 12.179 -3.496 7.604 1.00 0.00 H new ATOM 0 HG LEU A 112 11.836 -1.097 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.023 0.640 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.606 0.017 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.911 -0.513 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.064 -0.759 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.843 -2.034 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.095 -2.435 7.017 1.00 0.00 H new ATOM 1712 N GLY A 113 13.408 -3.804 10.202 1.00 0.00 N ATOM 1713 CA GLY A 113 13.261 -3.812 11.624 1.00 0.00 C ATOM 1714 C GLY A 113 12.916 -5.172 12.124 1.00 0.00 C ATOM 1715 O GLY A 113 13.540 -5.548 13.115 1.00 0.00 O ATOM 0 H GLY A 113 13.285 -4.707 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.187 -3.475 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 113 12.483 -3.107 11.915 1.00 0.00 H new ATOM 1719 N GLU A 114 11.816 -5.767 11.628 1.00 0.00 N ATOM 1720 CA GLU A 114 11.181 -6.900 12.227 1.00 0.00 C ATOM 1721 C GLU A 114 11.882 -8.202 12.045 1.00 0.00 C ATOM 1722 O GLU A 114 12.397 -8.548 10.983 1.00 0.00 O ATOM 1723 CB GLU A 114 9.737 -7.031 11.715 1.00 0.00 C ATOM 1724 CG GLU A 114 8.845 -7.932 12.570 1.00 0.00 C ATOM 1725 CD GLU A 114 8.275 -7.258 13.810 1.00 0.00 C ATOM 1726 OE1 GLU A 114 7.277 -6.493 13.726 1.00 0.00 O ATOM 1727 OE2 GLU A 114 8.748 -7.698 14.891 1.00 0.00 O ATOM 0 H GLU A 114 11.352 -5.447 10.778 1.00 0.00 H new ATOM 0 HA GLU A 114 11.211 -6.696 13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.290 -6.038 11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.759 -7.421 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.020 -8.294 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.420 -8.805 12.878 1.00 0.00 H new ATOM 1734 N LYS A 115 11.945 -9.014 13.115 1.00 0.00 N ATOM 1735 CA LYS A 115 12.715 -10.212 12.983 1.00 0.00 C ATOM 1736 C LYS A 115 11.886 -11.403 12.647 1.00 0.00 C ATOM 1737 O LYS A 115 11.310 -12.084 13.494 1.00 0.00 O ATOM 1738 CB LYS A 115 13.360 -10.566 14.334 1.00 0.00 C ATOM 1739 CG LYS A 115 14.198 -9.433 14.929 1.00 0.00 C ATOM 1740 CD LYS A 115 14.760 -9.566 16.346 1.00 0.00 C ATOM 1741 CE LYS A 115 13.812 -9.830 17.517 1.00 0.00 C ATOM 1742 NZ LYS A 115 12.988 -8.627 17.775 1.00 0.00 N ATOM 0 H LYS A 115 11.495 -8.859 14.017 1.00 0.00 H new ATOM 0 HA LYS A 115 13.434 -10.008 12.190 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.576 -10.837 15.041 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.992 -11.445 14.206 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.041 -9.266 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.588 -8.530 14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.492 -10.374 16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.303 -8.648 16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.169 -10.681 17.292 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.383 -10.089 18.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.345 -8.811 18.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.608 -7.825 18.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.431 -8.399 16.927 1.00 0.00 H new ATOM 1756 N LEU A 116 11.739 -11.610 11.326 1.00 0.00 N ATOM 1757 CA LEU A 116 10.850 -12.620 10.842 1.00 0.00 C ATOM 1758 C LEU A 116 11.541 -13.940 10.892 1.00 0.00 C ATOM 1759 O LEU A 116 12.748 -13.970 10.660 1.00 0.00 O ATOM 1760 CB LEU A 116 10.409 -12.380 9.389 1.00 0.00 C ATOM 1761 CG LEU A 116 9.864 -10.952 9.216 1.00 0.00 C ATOM 1762 CD1 LEU A 116 9.676 -10.622 7.725 1.00 0.00 C ATOM 1763 CD2 LEU A 116 8.516 -10.668 9.901 1.00 0.00 C ATOM 0 H LEU A 116 12.229 -11.086 10.601 1.00 0.00 H new ATOM 0 HA LEU A 116 9.965 -12.594 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.253 -12.537 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.642 -13.103 9.112 1.00 0.00 H new ATOM 0 HG LEU A 116 10.619 -10.331 9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.290 -9.608 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.634 -10.699 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.970 -11.325 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.225 -9.634 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.755 -11.337 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.612 -10.831 10.974 1.00 0.00 H new ATOM 1775 N THR A 117 10.778 -15.017 11.150 1.00 0.00 N ATOM 1776 CA THR A 117 11.238 -16.367 11.043 1.00 0.00 C ATOM 1777 C THR A 117 10.818 -16.913 9.722 1.00 0.00 C ATOM 1778 O THR A 117 10.099 -16.317 8.922 1.00 0.00 O ATOM 1779 CB THR A 117 10.800 -17.233 12.187 1.00 0.00 C ATOM 1780 OG1 THR A 117 9.395 -17.346 12.362 1.00 0.00 O ATOM 1781 CG2 THR A 117 11.337 -16.623 13.493 1.00 0.00 C ATOM 0 H THR A 117 9.804 -14.945 11.444 1.00 0.00 H new ATOM 0 HA THR A 117 12.326 -16.367 11.103 1.00 0.00 H new ATOM 0 HB THR A 117 11.186 -18.225 11.954 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.206 -17.929 13.127 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.028 -17.240 14.337 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.425 -16.580 13.454 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.939 -15.616 13.615 1.00 0.00 H new ATOM 1789 N ASP A 118 11.370 -18.081 9.348 1.00 0.00 N ATOM 1790 CA ASP A 118 11.075 -18.696 8.092 1.00 0.00 C ATOM 1791 C ASP A 118 9.643 -19.036 7.855 1.00 0.00 C ATOM 1792 O ASP A 118 9.134 -18.907 6.743 1.00 0.00 O ATOM 1793 CB ASP A 118 11.782 -20.056 7.967 1.00 0.00 C ATOM 1794 CG ASP A 118 13.277 -19.944 7.706 1.00 0.00 C ATOM 1795 OD1 ASP A 118 14.073 -19.575 8.611 1.00 0.00 O ATOM 1796 OD2 ASP A 118 13.619 -20.286 6.543 1.00 0.00 O ATOM 0 H ASP A 118 12.029 -18.605 9.924 1.00 0.00 H new ATOM 0 HA ASP A 118 11.403 -17.937 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 118 11.623 -20.624 8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.322 -20.622 7.157 1.00 0.00 H new ATOM 1801 N GLU A 119 8.887 -19.526 8.853 1.00 0.00 N ATOM 1802 CA GLU A 119 7.489 -19.819 8.781 1.00 0.00 C ATOM 1803 C GLU A 119 6.631 -18.604 8.704 1.00 0.00 C ATOM 1804 O GLU A 119 5.631 -18.565 7.988 1.00 0.00 O ATOM 1805 CB GLU A 119 7.102 -20.619 10.037 1.00 0.00 C ATOM 1806 CG GLU A 119 5.658 -21.109 9.904 1.00 0.00 C ATOM 1807 CD GLU A 119 5.200 -21.717 11.222 1.00 0.00 C ATOM 1808 OE1 GLU A 119 5.138 -21.062 12.297 1.00 0.00 O ATOM 1809 OE2 GLU A 119 4.864 -22.931 11.234 1.00 0.00 O ATOM 0 H GLU A 119 9.279 -19.731 9.772 1.00 0.00 H new ATOM 0 HA GLU A 119 7.320 -20.383 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.775 -21.467 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 119 7.206 -19.995 10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.006 -20.280 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.587 -21.849 9.107 1.00 0.00 H new ATOM 1816 N GLU A 120 7.081 -17.471 9.271 1.00 0.00 N ATOM 1817 CA GLU A 120 6.471 -16.185 9.133 1.00 0.00 C ATOM 1818 C GLU A 120 6.715 -15.577 7.794 1.00 0.00 C ATOM 1819 O GLU A 120 5.775 -14.994 7.256 1.00 0.00 O ATOM 1820 CB GLU A 120 7.178 -15.297 10.171 1.00 0.00 C ATOM 1821 CG GLU A 120 6.503 -13.931 10.307 1.00 0.00 C ATOM 1822 CD GLU A 120 5.240 -14.070 11.145 1.00 0.00 C ATOM 1823 OE1 GLU A 120 4.101 -14.339 10.680 1.00 0.00 O ATOM 1824 OE2 GLU A 120 5.445 -13.929 12.380 1.00 0.00 O ATOM 0 H GLU A 120 7.915 -17.451 9.857 1.00 0.00 H new ATOM 0 HA GLU A 120 5.392 -16.273 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.179 -15.799 11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.220 -15.160 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.186 -13.221 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.257 -13.535 9.322 1.00 0.00 H new ATOM 1831 N VAL A 121 7.916 -15.654 7.194 1.00 0.00 N ATOM 1832 CA VAL A 121 8.200 -15.326 5.832 1.00 0.00 C ATOM 1833 C VAL A 121 7.442 -16.149 4.848 1.00 0.00 C ATOM 1834 O VAL A 121 6.798 -15.626 3.940 1.00 0.00 O ATOM 1835 CB VAL A 121 9.660 -15.422 5.501 1.00 0.00 C ATOM 1836 CG1 VAL A 121 10.060 -15.441 4.017 1.00 0.00 C ATOM 1837 CG2 VAL A 121 10.416 -14.262 6.171 1.00 0.00 C ATOM 0 H VAL A 121 8.746 -15.968 7.697 1.00 0.00 H new ATOM 0 HA VAL A 121 7.874 -14.290 5.744 1.00 0.00 H new ATOM 0 HB VAL A 121 9.931 -16.408 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.144 -15.513 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.600 -16.299 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.719 -14.524 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.477 -14.332 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.023 -13.313 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.285 -14.318 7.252 1.00 0.00 H new ATOM 1847 N ASP A 122 7.493 -17.493 4.873 1.00 0.00 N ATOM 1848 CA ASP A 122 6.849 -18.432 4.009 1.00 0.00 C ATOM 1849 C ASP A 122 5.386 -18.154 3.950 1.00 0.00 C ATOM 1850 O ASP A 122 4.859 -18.030 2.845 1.00 0.00 O ATOM 1851 CB ASP A 122 7.138 -19.889 4.408 1.00 0.00 C ATOM 1852 CG ASP A 122 8.413 -20.444 3.789 1.00 0.00 C ATOM 1853 OD1 ASP A 122 8.575 -20.389 2.541 1.00 0.00 O ATOM 1854 OD2 ASP A 122 9.244 -20.951 4.589 1.00 0.00 O ATOM 0 H ASP A 122 8.050 -17.972 5.581 1.00 0.00 H new ATOM 0 HA ASP A 122 7.265 -18.306 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.212 -19.953 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.296 -20.514 4.109 1.00 0.00 H new ATOM 1859 N GLU A 123 4.764 -18.006 5.133 1.00 0.00 N ATOM 1860 CA GLU A 123 3.389 -17.630 5.244 1.00 0.00 C ATOM 1861 C GLU A 123 3.039 -16.279 4.722 1.00 0.00 C ATOM 1862 O GLU A 123 1.950 -15.956 4.250 1.00 0.00 O ATOM 1863 CB GLU A 123 3.009 -17.616 6.734 1.00 0.00 C ATOM 1864 CG GLU A 123 1.525 -17.335 6.982 1.00 0.00 C ATOM 1865 CD GLU A 123 1.006 -17.492 8.404 1.00 0.00 C ATOM 1866 OE1 GLU A 123 1.145 -16.516 9.188 1.00 0.00 O ATOM 1867 OE2 GLU A 123 0.345 -18.515 8.727 1.00 0.00 O ATOM 0 H GLU A 123 5.226 -18.150 6.031 1.00 0.00 H new ATOM 0 HA GLU A 123 2.852 -18.360 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.267 -18.578 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.604 -16.860 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.318 -16.315 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.946 -17.997 6.338 1.00 0.00 H new ATOM 1874 N MET A 124 3.968 -15.308 4.699 1.00 0.00 N ATOM 1875 CA MET A 124 3.751 -13.993 4.181 1.00 0.00 C ATOM 1876 C MET A 124 3.786 -14.007 2.692 1.00 0.00 C ATOM 1877 O MET A 124 3.010 -13.297 2.054 1.00 0.00 O ATOM 1878 CB MET A 124 4.764 -12.988 4.756 1.00 0.00 C ATOM 1879 CG MET A 124 4.341 -11.529 4.572 1.00 0.00 C ATOM 1880 SD MET A 124 5.617 -10.277 4.903 1.00 0.00 S ATOM 1881 CE MET A 124 5.575 -10.427 6.712 1.00 0.00 C ATOM 0 H MET A 124 4.913 -15.445 5.057 1.00 0.00 H new ATOM 0 HA MET A 124 2.760 -13.665 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.900 -13.188 5.819 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.730 -13.142 4.276 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.992 -11.400 3.548 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.491 -11.333 5.226 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.256 -9.699 7.153 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.562 -10.240 7.069 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.882 -11.432 7.001 1.00 0.00 H new ATOM 1891 N ILE A 125 4.578 -14.880 2.044 1.00 0.00 N ATOM 1892 CA ILE A 125 4.713 -15.152 0.647 1.00 0.00 C ATOM 1893 C ILE A 125 3.619 -15.901 -0.033 1.00 0.00 C ATOM 1894 O ILE A 125 2.924 -15.386 -0.908 1.00 0.00 O ATOM 1895 CB ILE A 125 6.030 -15.763 0.267 1.00 0.00 C ATOM 1896 CG1 ILE A 125 7.161 -14.771 0.589 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.218 -16.271 -1.172 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.528 -15.312 1.005 1.00 0.00 C ATOM 0 H ILE A 125 5.209 -15.475 2.580 1.00 0.00 H new ATOM 0 HA ILE A 125 4.644 -14.132 0.268 1.00 0.00 H new ATOM 0 HB ILE A 125 6.055 -16.674 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.309 -14.145 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.809 -14.119 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.221 -16.683 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.482 -17.047 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.085 -15.444 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 125 9.206 -14.480 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.423 -15.908 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.931 -15.934 0.206 1.00 0.00 H new ATOM 1910 N ARG A 126 3.349 -17.107 0.497 1.00 0.00 N ATOM 1911 CA ARG A 126 2.314 -18.009 0.096 1.00 0.00 C ATOM 1912 C ARG A 126 0.970 -17.370 0.023 1.00 0.00 C ATOM 1913 O ARG A 126 0.417 -17.569 -1.057 1.00 0.00 O ATOM 1914 CB ARG A 126 2.183 -18.979 1.282 1.00 0.00 C ATOM 1915 CG ARG A 126 1.243 -20.162 1.044 1.00 0.00 C ATOM 1916 CD ARG A 126 1.226 -21.053 2.288 1.00 0.00 C ATOM 1917 NE ARG A 126 0.204 -20.374 3.133 1.00 0.00 N ATOM 1918 CZ ARG A 126 -0.029 -20.614 4.456 1.00 0.00 C ATOM 1919 NH1 ARG A 126 0.816 -21.291 5.287 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -1.170 -20.100 5.002 1.00 0.00 N ATOM 0 H ARG A 126 3.901 -17.481 1.269 1.00 0.00 H new ATOM 0 HA ARG A 126 2.570 -18.426 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.172 -19.364 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.831 -18.423 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.237 -19.804 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.573 -20.735 0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.945 -22.080 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.200 -21.093 2.776 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.374 -19.665 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.697 -21.660 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.567 -21.428 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.813 -19.558 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.380 -20.258 5.988 1.00 0.00 H new ATOM 1934 N GLU A 127 0.543 -16.495 0.951 1.00 0.00 N ATOM 1935 CA GLU A 127 -0.676 -15.746 0.950 1.00 0.00 C ATOM 1936 C GLU A 127 -0.744 -14.617 -0.020 1.00 0.00 C ATOM 1937 O GLU A 127 -1.821 -14.096 -0.305 1.00 0.00 O ATOM 1938 CB GLU A 127 -1.111 -15.410 2.387 1.00 0.00 C ATOM 1939 CG GLU A 127 -1.364 -16.631 3.273 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.397 -17.611 2.735 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -3.490 -17.128 2.333 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -2.173 -18.849 2.810 1.00 0.00 O ATOM 0 H GLU A 127 1.105 -16.295 1.778 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.439 -16.406 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.342 -14.793 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.020 -14.810 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.422 -17.160 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.688 -16.288 4.256 1.00 0.00 H new ATOM 1949 N ALA A 128 0.384 -14.192 -0.616 1.00 0.00 N ATOM 1950 CA ALA A 128 0.436 -13.082 -1.516 1.00 0.00 C ATOM 1951 C ALA A 128 1.253 -13.537 -2.677 1.00 0.00 C ATOM 1952 O ALA A 128 2.086 -12.795 -3.195 1.00 0.00 O ATOM 1953 CB ALA A 128 1.012 -11.861 -0.780 1.00 0.00 C ATOM 0 H ALA A 128 1.290 -14.636 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.542 -12.765 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.054 -11.012 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.375 -11.614 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.016 -12.091 -0.425 1.00 0.00 H new ATOM 1959 N ASP A 129 0.976 -14.756 -3.173 1.00 0.00 N ATOM 1960 CA ASP A 129 1.620 -15.226 -4.359 1.00 0.00 C ATOM 1961 C ASP A 129 0.572 -15.708 -5.302 1.00 0.00 C ATOM 1962 O ASP A 129 0.128 -16.853 -5.247 1.00 0.00 O ATOM 1963 CB ASP A 129 2.612 -16.381 -4.137 1.00 0.00 C ATOM 1964 CG ASP A 129 3.484 -16.701 -5.343 1.00 0.00 C ATOM 1965 OD1 ASP A 129 3.419 -16.063 -6.427 1.00 0.00 O ATOM 1966 OD2 ASP A 129 4.386 -17.562 -5.162 1.00 0.00 O ATOM 0 H ASP A 129 0.313 -15.410 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 129 2.195 -14.384 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.256 -16.133 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.054 -17.275 -3.860 1.00 0.00 H new ATOM 1971 N ILE A 130 0.260 -14.811 -6.254 1.00 0.00 N ATOM 1972 CA ILE A 130 -0.637 -15.068 -7.338 1.00 0.00 C ATOM 1973 C ILE A 130 -0.093 -16.063 -8.304 1.00 0.00 C ATOM 1974 O ILE A 130 -0.908 -16.816 -8.836 1.00 0.00 O ATOM 1975 CB ILE A 130 -0.848 -13.750 -8.023 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -1.580 -12.722 -7.144 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -1.631 -13.894 -9.339 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -3.044 -12.804 -6.713 1.00 0.00 C ATOM 0 H ILE A 130 0.648 -13.868 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.566 -15.494 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 130 0.159 -13.388 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.003 -12.655 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.475 -11.765 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.758 -12.913 -9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.081 -14.544 -10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.610 -14.328 -9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.290 -11.940 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.683 -12.813 -7.596 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.204 -13.717 -6.140 1.00 0.00 H new ATOM 1990 N ASP A 131 1.225 -16.082 -8.574 1.00 0.00 N ATOM 1991 CA ASP A 131 1.779 -17.099 -9.414 1.00 0.00 C ATOM 1992 C ASP A 131 1.849 -18.468 -8.830 1.00 0.00 C ATOM 1993 O ASP A 131 1.348 -19.405 -9.450 1.00 0.00 O ATOM 1994 CB ASP A 131 3.211 -16.720 -9.828 1.00 0.00 C ATOM 1995 CG ASP A 131 3.286 -15.233 -10.144 1.00 0.00 C ATOM 1996 OD1 ASP A 131 2.738 -14.737 -11.164 1.00 0.00 O ATOM 1997 OD2 ASP A 131 4.037 -14.558 -9.390 1.00 0.00 O ATOM 0 H ASP A 131 1.899 -15.404 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 131 1.082 -17.144 -10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 131 3.907 -16.965 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.512 -17.301 -10.700 1.00 0.00 H new ATOM 2002 N GLY A 132 2.512 -18.671 -7.678 1.00 0.00 N ATOM 2003 CA GLY A 132 2.938 -19.905 -7.094 1.00 0.00 C ATOM 2004 C GLY A 132 4.425 -19.981 -7.151 1.00 0.00 C ATOM 2005 O GLY A 132 4.987 -21.004 -6.764 1.00 0.00 O ATOM 0 H GLY A 132 2.778 -17.879 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.597 -19.970 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.497 -20.746 -7.629 1.00 0.00 H new ATOM 2009 N ASP A 133 5.146 -18.971 -7.669 1.00 0.00 N ATOM 2010 CA ASP A 133 6.507 -19.122 -8.084 1.00 0.00 C ATOM 2011 C ASP A 133 7.443 -18.979 -6.934 1.00 0.00 C ATOM 2012 O ASP A 133 8.572 -19.466 -6.952 1.00 0.00 O ATOM 2013 CB ASP A 133 6.819 -18.248 -9.310 1.00 0.00 C ATOM 2014 CG ASP A 133 7.026 -16.793 -8.914 1.00 0.00 C ATOM 2015 OD1 ASP A 133 6.576 -16.282 -7.854 1.00 0.00 O ATOM 2016 OD2 ASP A 133 7.846 -16.131 -9.605 1.00 0.00 O ATOM 0 H ASP A 133 4.776 -18.030 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 133 6.666 -20.142 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.713 -18.622 -9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.001 -18.319 -10.027 1.00 0.00 H new ATOM 2021 N GLY A 134 6.980 -18.372 -5.826 1.00 0.00 N ATOM 2022 CA GLY A 134 7.769 -18.262 -4.638 1.00 0.00 C ATOM 2023 C GLY A 134 8.282 -16.882 -4.411 1.00 0.00 C ATOM 2024 O GLY A 134 8.671 -16.583 -3.283 1.00 0.00 O ATOM 0 H GLY A 134 6.052 -17.955 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.170 -18.568 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.611 -18.952 -4.701 1.00 0.00 H new ATOM 2028 N GLN A 135 8.513 -16.125 -5.499 1.00 0.00 N ATOM 2029 CA GLN A 135 9.019 -14.792 -5.397 1.00 0.00 C ATOM 2030 C GLN A 135 7.875 -13.843 -5.300 1.00 0.00 C ATOM 2031 O GLN A 135 6.711 -14.168 -5.529 1.00 0.00 O ATOM 2032 CB GLN A 135 9.756 -14.375 -6.681 1.00 0.00 C ATOM 2033 CG GLN A 135 10.943 -15.203 -7.176 1.00 0.00 C ATOM 2034 CD GLN A 135 11.362 -14.637 -8.525 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.499 -14.175 -8.606 1.00 0.00 O ATOM 2036 NE2 GLN A 135 10.560 -14.820 -9.609 1.00 0.00 N ATOM 0 H GLN A 135 8.348 -16.439 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 135 9.681 -14.767 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 135 9.020 -14.348 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.109 -13.354 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.768 -15.153 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 135 10.666 -16.253 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.624 -15.207 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.895 -14.570 -10.539 1.00 0.00 H new ATOM 2045 N VAL A 136 8.093 -12.580 -4.892 1.00 0.00 N ATOM 2046 CA VAL A 136 7.056 -11.603 -4.770 1.00 0.00 C ATOM 2047 C VAL A 136 7.343 -10.455 -5.676 1.00 0.00 C ATOM 2048 O VAL A 136 8.421 -9.877 -5.797 1.00 0.00 O ATOM 2049 CB VAL A 136 6.930 -11.245 -3.319 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.905 -9.753 -2.948 1.00 0.00 C ATOM 2051 CG2 VAL A 136 5.767 -12.072 -2.744 1.00 0.00 C ATOM 0 H VAL A 136 9.017 -12.228 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 136 6.085 -11.982 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 136 7.871 -11.510 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.810 -9.648 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.830 -9.280 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.057 -9.271 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.643 -11.839 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 136 4.849 -11.830 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 136 5.984 -13.134 -2.859 1.00 0.00 H new ATOM 2061 N ASN A 137 6.346 -10.005 -6.459 1.00 0.00 N ATOM 2062 CA ASN A 137 6.480 -8.991 -7.458 1.00 0.00 C ATOM 2063 C ASN A 137 5.884 -7.747 -6.894 1.00 0.00 C ATOM 2064 O ASN A 137 5.579 -7.744 -5.702 1.00 0.00 O ATOM 2065 CB ASN A 137 5.914 -9.347 -8.843 1.00 0.00 C ATOM 2066 CG ASN A 137 4.405 -9.473 -8.996 1.00 0.00 C ATOM 2067 OD1 ASN A 137 3.565 -8.681 -8.571 1.00 0.00 O ATOM 2068 ND2 ASN A 137 4.078 -10.530 -9.787 1.00 0.00 N ATOM 0 H ASN A 137 5.396 -10.369 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 137 7.540 -8.861 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 137 6.257 -8.589 -9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 137 6.359 -10.293 -9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 137 3.105 -10.689 -10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 137 4.806 -11.163 -10.118 1.00 0.00 H new ATOM 2075 N TYR A 138 5.745 -6.705 -7.733 1.00 0.00 N ATOM 2076 CA TYR A 138 5.352 -5.396 -7.311 1.00 0.00 C ATOM 2077 C TYR A 138 3.972 -5.507 -6.760 1.00 0.00 C ATOM 2078 O TYR A 138 3.753 -4.906 -5.710 1.00 0.00 O ATOM 2079 CB TYR A 138 5.497 -4.431 -8.499 1.00 0.00 C ATOM 2080 CG TYR A 138 5.015 -3.048 -8.222 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.350 -2.384 -7.066 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.993 -2.542 -8.990 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.551 -1.412 -6.510 1.00 0.00 C ATOM 2084 CE2 TYR A 138 3.271 -1.457 -8.550 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.524 -0.949 -7.297 1.00 0.00 C ATOM 2086 OH TYR A 138 2.841 0.194 -6.830 1.00 0.00 O ATOM 0 H TYR A 138 5.911 -6.775 -8.737 1.00 0.00 H new ATOM 0 HA TYR A 138 5.982 -4.987 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.546 -4.387 -8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.946 -4.833 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.278 -2.636 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.757 -2.997 -9.940 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.721 -1.035 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.516 -1.010 -9.180 1.00 0.00 H new ATOM 0 HH TYR A 138 2.135 0.435 -7.465 1.00 0.00 H new ATOM 2096 N GLU A 139 2.989 -6.220 -7.338 1.00 0.00 N ATOM 2097 CA GLU A 139 1.614 -6.169 -6.949 1.00 0.00 C ATOM 2098 C GLU A 139 1.484 -6.955 -5.690 1.00 0.00 C ATOM 2099 O GLU A 139 0.644 -6.616 -4.858 1.00 0.00 O ATOM 2100 CB GLU A 139 0.617 -6.642 -8.020 1.00 0.00 C ATOM 2101 CG GLU A 139 0.338 -5.478 -8.974 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.183 -5.824 -10.361 1.00 0.00 C ATOM 2103 OE1 GLU A 139 0.565 -6.361 -11.221 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -1.330 -5.375 -10.626 1.00 0.00 O ATOM 0 H GLU A 139 3.161 -6.862 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 139 1.343 -5.124 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.025 -7.491 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.309 -6.979 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.385 -4.816 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 139 1.261 -4.910 -9.092 1.00 0.00 H new ATOM 2111 N GLU A 140 2.313 -8.010 -5.590 1.00 0.00 N ATOM 2112 CA GLU A 140 2.300 -8.893 -4.465 1.00 0.00 C ATOM 2113 C GLU A 140 2.751 -8.190 -3.231 1.00 0.00 C ATOM 2114 O GLU A 140 2.155 -8.252 -2.157 1.00 0.00 O ATOM 2115 CB GLU A 140 3.127 -10.148 -4.792 1.00 0.00 C ATOM 2116 CG GLU A 140 2.598 -10.921 -6.002 1.00 0.00 C ATOM 2117 CD GLU A 140 3.281 -12.107 -6.668 1.00 0.00 C ATOM 2118 OE1 GLU A 140 4.540 -12.144 -6.660 1.00 0.00 O ATOM 2119 OE2 GLU A 140 2.638 -13.007 -7.272 1.00 0.00 O ATOM 0 H GLU A 140 3.003 -8.254 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 140 1.281 -9.221 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 140 4.160 -9.856 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.135 -10.807 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.606 -11.273 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 140 2.460 -10.180 -6.789 1.00 0.00 H new ATOM 2126 N PHE A 141 3.805 -7.369 -3.386 1.00 0.00 N ATOM 2127 CA PHE A 141 4.433 -6.508 -2.433 1.00 0.00 C ATOM 2128 C PHE A 141 3.444 -5.543 -1.877 1.00 0.00 C ATOM 2129 O PHE A 141 3.434 -5.324 -0.666 1.00 0.00 O ATOM 2130 CB PHE A 141 5.708 -6.005 -3.131 1.00 0.00 C ATOM 2131 CG PHE A 141 6.521 -5.322 -2.086 1.00 0.00 C ATOM 2132 CD1 PHE A 141 7.277 -6.126 -1.266 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.550 -3.952 -1.964 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.947 -5.544 -0.216 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.336 -3.382 -0.991 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.930 -4.180 -0.042 1.00 0.00 C ATOM 0 H PHE A 141 4.270 -7.304 -4.291 1.00 0.00 H new ATOM 0 HA PHE A 141 4.773 -6.970 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.261 -6.834 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.462 -5.319 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.343 -7.189 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.962 -3.332 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.492 -6.165 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.486 -2.313 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.380 -3.738 0.835 1.00 0.00 H new ATOM 2146 N VAL A 142 2.606 -4.888 -2.700 1.00 0.00 N ATOM 2147 CA VAL A 142 1.539 -4.056 -2.238 1.00 0.00 C ATOM 2148 C VAL A 142 0.691 -4.711 -1.203 1.00 0.00 C ATOM 2149 O VAL A 142 0.301 -4.027 -0.257 1.00 0.00 O ATOM 2150 CB VAL A 142 0.637 -3.657 -3.368 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.541 -2.791 -2.891 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.324 -2.862 -4.490 1.00 0.00 C ATOM 0 H VAL A 142 2.673 -4.939 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 142 2.027 -3.186 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 142 0.304 -4.617 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.167 -2.526 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.133 -3.349 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.159 -1.882 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.594 -2.618 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.741 -1.942 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.124 -3.462 -4.924 1.00 0.00 H new ATOM 2162 N GLN A 143 0.387 -6.014 -1.342 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.592 -6.691 -0.550 1.00 0.00 C ATOM 2164 C GLN A 143 0.023 -6.936 0.785 1.00 0.00 C ATOM 2165 O GLN A 143 -0.721 -7.074 1.755 1.00 0.00 O ATOM 2166 CB GLN A 143 -1.015 -8.046 -1.140 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.543 -7.942 -2.572 1.00 0.00 C ATOM 2168 CD GLN A 143 -2.188 -9.215 -3.101 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.628 -9.950 -2.218 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -2.451 -9.372 -4.427 1.00 0.00 N ATOM 0 H GLN A 143 0.839 -6.617 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.486 -6.069 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.162 -8.725 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.785 -8.486 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.273 -7.134 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -0.719 -7.666 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.052 -8.724 -5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.047 -10.138 -4.742 1.00 0.00 H new ATOM 2179 N MET A 144 1.358 -6.896 0.946 1.00 0.00 N ATOM 2180 CA MET A 144 2.120 -6.995 2.152 1.00 0.00 C ATOM 2181 C MET A 144 2.060 -5.662 2.813 1.00 0.00 C ATOM 2182 O MET A 144 1.781 -5.503 4.001 1.00 0.00 O ATOM 2183 CB MET A 144 3.573 -7.432 1.901 1.00 0.00 C ATOM 2184 CG MET A 144 3.706 -8.853 1.349 1.00 0.00 C ATOM 2185 SD MET A 144 5.417 -9.453 1.469 1.00 0.00 S ATOM 2186 CE MET A 144 4.971 -11.009 0.645 1.00 0.00 C ATOM 0 H MET A 144 1.969 -6.781 0.137 1.00 0.00 H new ATOM 0 HA MET A 144 1.697 -7.769 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.036 -6.736 1.201 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.130 -7.362 2.835 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.045 -9.522 1.899 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.384 -8.872 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.865 -11.618 0.510 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.251 -11.552 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.530 -10.792 -0.328 1.00 0.00 H new ATOM 2196 N MET A 145 2.429 -4.583 2.100 1.00 0.00 N ATOM 2197 CA MET A 145 2.741 -3.318 2.690 1.00 0.00 C ATOM 2198 C MET A 145 1.568 -2.544 3.184 1.00 0.00 C ATOM 2199 O MET A 145 1.663 -1.690 4.065 1.00 0.00 O ATOM 2200 CB MET A 145 3.782 -2.460 1.953 1.00 0.00 C ATOM 2201 CG MET A 145 5.123 -3.170 1.751 1.00 0.00 C ATOM 2202 SD MET A 145 6.019 -3.662 3.254 1.00 0.00 S ATOM 2203 CE MET A 145 6.282 -2.024 3.993 1.00 0.00 C ATOM 0 H MET A 145 2.513 -4.590 1.083 1.00 0.00 H new ATOM 0 HA MET A 145 3.269 -3.629 3.591 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.382 -2.172 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.947 -1.541 2.515 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.948 -4.063 1.151 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.770 -2.515 1.168 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.012 -2.101 4.799 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.653 -1.337 3.232 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.339 -1.649 4.392 1.00 0.00 H new