USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 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 124 MET CE :methyl -137:sc= -0.0711 (180deg=-0.368) USER MOD Set 1.2: A 144 MET CE :methyl -146:sc= -0.411 (180deg=-1.95!) USER MOD Set 2.1: A 109 MET CE :methyl 179:sc= 0 (180deg=-0.00278) USER MOD Set 2.2: A 145 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.1: A 107 HIS : no HD1:sc= 0.163 K(o=0.31,f=-0.45) USER MOD Set 3.2: A 111 ASN : amide:sc= 0.148 K(o=0.31,f=-0.45) USER MOD Set 4.1: A 60 ASN : amide:sc= 0.675 K(o=1.2,f=-3.7!) USER MOD Set 4.2: A 62 THR OG1 : rot -4:sc= 0.48 USER MOD Set 5.1: A 5 THR OG1 : rot -23:sc= 0.0171 USER MOD Set 5.2: A 8 GLN : amide:sc=-0.00487 K(o=0.012,f=-0.76) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.17 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -69:sc= 0.848 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.36 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 64:sc= 0.137 USER MOD Single : A 36 MET CE :methyl -149:sc=-0.00411 (180deg=-1.4) USER MOD Single : A 38 SER OG : rot 64:sc= 1.14 USER MOD Single : A 41 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.3!) USER MOD Single : A 42 ASN : amide:sc=-0.00434 X(o=-0.0043,f=-0.0043) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 MET CE :methyl -103:sc= -0.071 (180deg=-1.2) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.0899 (180deg=-0.67) USER MOD Single : A 72 MET CE :methyl 170:sc= 0 (180deg=-0.192) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 97 ASN : amide:sc= 0.236 K(o=0.24,f=-1.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 1.24 USER MOD Single : A 110 THR OG1 : rot 73:sc= 1.24 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 135 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 137 ASN : amide:sc= -0.61 K(o=-0.61,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.304 USER MOD Single : A 143 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.454 15.971 1.626 1.00 0.00 N ATOM 59 CA THR A 5 -13.037 17.107 0.982 1.00 0.00 C ATOM 60 C THR A 5 -14.397 16.713 0.517 1.00 0.00 C ATOM 61 O THR A 5 -14.740 15.546 0.334 1.00 0.00 O ATOM 62 CB THR A 5 -12.263 17.767 -0.119 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.028 16.844 -1.173 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.923 18.330 0.386 1.00 0.00 C ATOM 0 HA THR A 5 -13.052 17.892 1.738 1.00 0.00 H new ATOM 0 HB THR A 5 -12.861 18.600 -0.488 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.081 15.929 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.391 18.800 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.109 19.069 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.318 17.520 0.792 1.00 0.00 H new ATOM 72 N GLU A 6 -15.315 17.649 0.219 1.00 0.00 N ATOM 73 CA GLU A 6 -16.694 17.464 -0.110 1.00 0.00 C ATOM 74 C GLU A 6 -16.781 16.912 -1.491 1.00 0.00 C ATOM 75 O GLU A 6 -17.762 16.279 -1.877 1.00 0.00 O ATOM 76 CB GLU A 6 -17.599 18.703 -0.006 1.00 0.00 C ATOM 77 CG GLU A 6 -19.113 18.484 0.000 1.00 0.00 C ATOM 78 CD GLU A 6 -19.582 18.020 1.371 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.334 18.670 2.422 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.110 16.877 1.424 1.00 0.00 O ATOM 0 H GLU A 6 -15.062 18.637 0.208 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.077 16.783 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.334 19.235 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.360 19.363 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.621 19.410 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.382 17.742 -0.752 1.00 0.00 H new ATOM 87 N GLU A 7 -15.706 17.199 -2.247 1.00 0.00 N ATOM 88 CA GLU A 7 -15.440 16.755 -3.579 1.00 0.00 C ATOM 89 C GLU A 7 -15.119 15.300 -3.618 1.00 0.00 C ATOM 90 O GLU A 7 -15.775 14.528 -4.315 1.00 0.00 O ATOM 91 CB GLU A 7 -14.288 17.588 -4.166 1.00 0.00 C ATOM 92 CG GLU A 7 -14.713 18.979 -4.641 1.00 0.00 C ATOM 93 CD GLU A 7 -13.645 19.753 -5.400 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.496 19.258 -5.555 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.967 20.872 -5.880 1.00 0.00 O ATOM 0 H GLU A 7 -14.958 17.795 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.336 16.898 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.508 17.694 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.850 17.046 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.589 18.876 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.018 19.565 -3.774 1.00 0.00 H new ATOM 102 N GLN A 8 -14.197 14.866 -2.739 1.00 0.00 N ATOM 103 CA GLN A 8 -13.823 13.493 -2.595 1.00 0.00 C ATOM 104 C GLN A 8 -14.920 12.657 -2.032 1.00 0.00 C ATOM 105 O GLN A 8 -15.148 11.544 -2.502 1.00 0.00 O ATOM 106 CB GLN A 8 -12.583 13.315 -1.703 1.00 0.00 C ATOM 107 CG GLN A 8 -11.287 13.794 -2.359 1.00 0.00 C ATOM 108 CD GLN A 8 -10.171 14.076 -1.363 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.319 14.205 -0.148 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.910 14.091 -1.873 1.00 0.00 N ATOM 0 H GLN A 8 -13.696 15.491 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.597 13.159 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.733 13.861 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.481 12.262 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.948 13.039 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.491 14.700 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.765 13.986 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.110 14.208 -1.251 1.00 0.00 H new ATOM 119 N ILE A 9 -15.808 13.225 -1.196 1.00 0.00 N ATOM 120 CA ILE A 9 -17.009 12.563 -0.790 1.00 0.00 C ATOM 121 C ILE A 9 -17.989 12.339 -1.890 1.00 0.00 C ATOM 122 O ILE A 9 -18.764 11.388 -1.979 1.00 0.00 O ATOM 123 CB ILE A 9 -17.626 13.386 0.302 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.696 13.498 1.522 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.954 12.818 0.830 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.243 14.483 2.554 1.00 0.00 C ATOM 0 H ILE A 9 -15.691 14.156 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.743 11.563 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.801 14.355 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.577 12.517 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.706 13.821 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.340 13.466 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.677 12.766 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.788 11.819 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.561 14.537 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.338 15.470 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.221 14.146 2.896 1.00 0.00 H new ATOM 138 N ALA A 10 -18.169 13.336 -2.775 1.00 0.00 N ATOM 139 CA ALA A 10 -19.083 13.355 -3.875 1.00 0.00 C ATOM 140 C ALA A 10 -18.749 12.302 -4.876 1.00 0.00 C ATOM 141 O ALA A 10 -19.594 11.454 -5.158 1.00 0.00 O ATOM 142 CB ALA A 10 -19.136 14.783 -4.442 1.00 0.00 C ATOM 0 H ALA A 10 -17.630 14.200 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.090 13.101 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.829 14.815 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.474 15.470 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.142 15.078 -4.780 1.00 0.00 H new ATOM 148 N GLU A 11 -17.461 12.262 -5.260 1.00 0.00 N ATOM 149 CA GLU A 11 -16.900 11.271 -6.125 1.00 0.00 C ATOM 150 C GLU A 11 -17.192 9.885 -5.664 1.00 0.00 C ATOM 151 O GLU A 11 -17.507 8.946 -6.394 1.00 0.00 O ATOM 152 CB GLU A 11 -15.392 11.461 -6.363 1.00 0.00 C ATOM 153 CG GLU A 11 -14.916 12.658 -7.189 1.00 0.00 C ATOM 154 CD GLU A 11 -15.084 12.575 -8.699 1.00 0.00 C ATOM 155 OE1 GLU A 11 -16.185 12.329 -9.259 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.064 12.682 -9.431 1.00 0.00 O ATOM 0 H GLU A 11 -16.778 12.954 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.395 11.415 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.910 11.522 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.019 10.558 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.448 13.543 -6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.859 12.816 -6.975 1.00 0.00 H new ATOM 163 N PHE A 12 -16.865 9.633 -4.384 1.00 0.00 N ATOM 164 CA PHE A 12 -17.034 8.443 -3.610 1.00 0.00 C ATOM 165 C PHE A 12 -18.453 8.031 -3.415 1.00 0.00 C ATOM 166 O PHE A 12 -18.686 6.824 -3.442 1.00 0.00 O ATOM 167 CB PHE A 12 -16.327 8.511 -2.246 1.00 0.00 C ATOM 168 CG PHE A 12 -14.842 8.520 -2.372 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.137 8.176 -3.501 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.102 9.068 -1.351 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.787 8.400 -3.632 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.782 9.408 -1.530 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.070 9.037 -2.647 1.00 0.00 C ATOM 0 H PHE A 12 -16.425 10.363 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.556 7.676 -4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.649 9.409 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.632 7.658 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.666 7.710 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.566 9.235 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.280 8.069 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.286 9.988 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.013 9.234 -2.744 1.00 0.00 H new ATOM 183 N LYS A 13 -19.410 8.969 -3.297 1.00 0.00 N ATOM 184 CA LYS A 13 -20.820 8.739 -3.341 1.00 0.00 C ATOM 185 C LYS A 13 -21.287 8.303 -4.688 1.00 0.00 C ATOM 186 O LYS A 13 -22.130 7.417 -4.813 1.00 0.00 O ATOM 187 CB LYS A 13 -21.484 10.071 -2.952 1.00 0.00 C ATOM 188 CG LYS A 13 -22.993 10.025 -2.706 1.00 0.00 C ATOM 189 CD LYS A 13 -23.366 11.251 -1.870 1.00 0.00 C ATOM 190 CE LYS A 13 -24.856 11.339 -1.531 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.053 12.389 -0.507 1.00 0.00 N ATOM 0 H LYS A 13 -19.182 9.954 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.086 7.931 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.001 10.444 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.287 10.796 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.535 10.028 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.268 9.108 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.793 11.235 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.072 12.151 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.433 11.572 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.216 10.379 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.063 12.457 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.512 12.147 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.723 13.302 -0.878 1.00 0.00 H new ATOM 205 N GLU A 14 -20.815 8.882 -5.806 1.00 0.00 N ATOM 206 CA GLU A 14 -21.019 8.529 -7.177 1.00 0.00 C ATOM 207 C GLU A 14 -20.495 7.153 -7.407 1.00 0.00 C ATOM 208 O GLU A 14 -21.127 6.251 -7.954 1.00 0.00 O ATOM 209 CB GLU A 14 -20.384 9.449 -8.232 1.00 0.00 C ATOM 210 CG GLU A 14 -20.591 9.104 -9.708 1.00 0.00 C ATOM 211 CD GLU A 14 -20.217 10.227 -10.665 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.996 10.511 -10.795 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.071 10.786 -11.404 1.00 0.00 O ATOM 0 H GLU A 14 -20.214 9.703 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.096 8.622 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.766 10.457 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.311 9.480 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.999 8.222 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.637 8.840 -9.865 1.00 0.00 H new ATOM 220 N ALA A 15 -19.265 6.899 -6.926 1.00 0.00 N ATOM 221 CA ALA A 15 -18.697 5.588 -6.877 1.00 0.00 C ATOM 222 C ALA A 15 -19.458 4.531 -6.152 1.00 0.00 C ATOM 223 O ALA A 15 -19.482 3.351 -6.497 1.00 0.00 O ATOM 224 CB ALA A 15 -17.221 5.661 -6.451 1.00 0.00 C ATOM 0 H ALA A 15 -18.649 7.625 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.770 5.228 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.802 4.655 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.664 6.263 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.149 6.116 -5.463 1.00 0.00 H new ATOM 230 N PHE A 16 -20.106 4.930 -5.043 1.00 0.00 N ATOM 231 CA PHE A 16 -20.800 3.986 -4.224 1.00 0.00 C ATOM 232 C PHE A 16 -22.036 3.582 -4.953 1.00 0.00 C ATOM 233 O PHE A 16 -22.511 2.451 -4.860 1.00 0.00 O ATOM 234 CB PHE A 16 -21.101 4.650 -2.869 1.00 0.00 C ATOM 235 CG PHE A 16 -21.767 3.848 -1.805 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.121 3.609 -1.810 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.965 3.176 -0.913 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.716 2.790 -0.879 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.559 2.537 0.150 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.912 2.296 0.120 1.00 0.00 C ATOM 0 H PHE A 16 -20.150 5.895 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.211 3.090 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.157 5.015 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.724 5.523 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.734 4.077 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.893 3.151 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.767 2.546 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.969 2.228 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.356 1.701 0.904 1.00 0.00 H new ATOM 250 N SER A 17 -22.710 4.524 -5.637 1.00 0.00 N ATOM 251 CA SER A 17 -23.850 4.272 -6.463 1.00 0.00 C ATOM 252 C SER A 17 -23.586 3.241 -7.505 1.00 0.00 C ATOM 253 O SER A 17 -24.463 2.443 -7.832 1.00 0.00 O ATOM 254 CB SER A 17 -24.305 5.573 -7.146 1.00 0.00 C ATOM 255 OG SER A 17 -24.803 6.455 -6.151 1.00 0.00 O ATOM 0 H SER A 17 -22.447 5.509 -5.613 1.00 0.00 H new ATOM 0 HA SER A 17 -24.634 3.891 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.472 6.033 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.077 5.362 -7.886 1.00 0.00 H new ATOM 0 HG SER A 17 -24.054 6.834 -5.645 1.00 0.00 H new ATOM 261 N LEU A 18 -22.365 3.191 -8.067 1.00 0.00 N ATOM 262 CA LEU A 18 -22.021 2.188 -9.026 1.00 0.00 C ATOM 263 C LEU A 18 -21.988 0.788 -8.519 1.00 0.00 C ATOM 264 O LEU A 18 -22.208 -0.167 -9.262 1.00 0.00 O ATOM 265 CB LEU A 18 -20.725 2.515 -9.788 1.00 0.00 C ATOM 266 CG LEU A 18 -20.771 2.141 -11.279 1.00 0.00 C ATOM 267 CD1 LEU A 18 -21.903 2.772 -12.107 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.417 2.569 -11.867 1.00 0.00 C ATOM 0 H LEU A 18 -21.614 3.848 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.861 2.223 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.520 3.582 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.895 1.989 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.972 1.071 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.830 2.433 -13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.866 2.473 -11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.816 3.858 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.389 2.328 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.286 3.643 -11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.614 2.040 -11.354 1.00 0.00 H new ATOM 280 N PHE A 19 -21.633 0.670 -7.227 1.00 0.00 N ATOM 281 CA PHE A 19 -21.419 -0.618 -6.645 1.00 0.00 C ATOM 282 C PHE A 19 -22.608 -1.313 -6.076 1.00 0.00 C ATOM 283 O PHE A 19 -22.777 -2.532 -6.075 1.00 0.00 O ATOM 284 CB PHE A 19 -20.509 -0.608 -5.405 1.00 0.00 C ATOM 285 CG PHE A 19 -19.108 -0.179 -5.678 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.382 -0.729 -6.708 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.559 0.824 -4.915 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.081 -0.343 -6.929 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.241 1.175 -5.084 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.535 0.637 -6.134 1.00 0.00 C ATOM 0 H PHE A 19 -21.495 1.456 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.017 -1.116 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.941 0.056 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.493 -1.608 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.837 -1.470 -7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -19.164 1.337 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.498 -0.802 -7.714 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.766 1.864 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.535 0.990 -6.338 1.00 0.00 H new ATOM 300 N ASP A 20 -23.411 -0.471 -5.403 1.00 0.00 N ATOM 301 CA ASP A 20 -24.691 -0.731 -4.821 1.00 0.00 C ATOM 302 C ASP A 20 -25.647 -1.029 -5.925 1.00 0.00 C ATOM 303 O ASP A 20 -26.130 -0.144 -6.630 1.00 0.00 O ATOM 304 CB ASP A 20 -25.312 0.327 -3.893 1.00 0.00 C ATOM 305 CG ASP A 20 -26.549 -0.127 -3.131 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.831 -1.354 -3.165 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.229 0.781 -2.583 1.00 0.00 O ATOM 0 H ASP A 20 -23.130 0.498 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.504 -1.564 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.557 0.644 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.572 1.202 -4.489 1.00 0.00 H new ATOM 312 N LYS A 21 -25.924 -2.322 -6.172 1.00 0.00 N ATOM 313 CA LYS A 21 -26.728 -2.682 -7.298 1.00 0.00 C ATOM 314 C LYS A 21 -28.172 -2.849 -6.973 1.00 0.00 C ATOM 315 O LYS A 21 -28.933 -3.259 -7.848 1.00 0.00 O ATOM 316 CB LYS A 21 -26.201 -3.890 -8.092 1.00 0.00 C ATOM 317 CG LYS A 21 -24.889 -3.551 -8.802 1.00 0.00 C ATOM 318 CD LYS A 21 -24.380 -4.565 -9.829 1.00 0.00 C ATOM 319 CE LYS A 21 -23.113 -4.097 -10.548 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.565 -4.942 -11.632 1.00 0.00 N ATOM 0 H LYS A 21 -25.599 -3.105 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.641 -1.816 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.047 -4.733 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.945 -4.200 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.012 -2.591 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.117 -3.418 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.179 -5.512 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.162 -4.753 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.314 -3.110 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.332 -3.973 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.710 -4.496 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.324 -5.880 -11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.275 -5.045 -12.385 1.00 0.00 H new ATOM 334 N ASP A 22 -28.578 -2.506 -5.737 1.00 0.00 N ATOM 335 CA ASP A 22 -29.932 -2.644 -5.299 1.00 0.00 C ATOM 336 C ASP A 22 -30.548 -1.301 -5.109 1.00 0.00 C ATOM 337 O ASP A 22 -31.641 -0.993 -5.581 1.00 0.00 O ATOM 338 CB ASP A 22 -30.074 -3.415 -3.976 1.00 0.00 C ATOM 339 CG ASP A 22 -29.062 -4.551 -4.000 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.302 -5.610 -4.640 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.113 -4.483 -3.174 1.00 0.00 O ATOM 0 H ASP A 22 -27.952 -2.125 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.437 -3.213 -6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.892 -2.757 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.086 -3.805 -3.866 1.00 0.00 H new ATOM 346 N GLY A 23 -29.809 -0.377 -4.468 1.00 0.00 N ATOM 347 CA GLY A 23 -30.178 0.902 -3.946 1.00 0.00 C ATOM 348 C GLY A 23 -30.789 0.871 -2.588 1.00 0.00 C ATOM 349 O GLY A 23 -31.702 1.628 -2.263 1.00 0.00 O ATOM 0 H GLY A 23 -28.820 -0.557 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.292 1.536 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.881 1.370 -4.635 1.00 0.00 H new ATOM 353 N ASP A 24 -30.220 -0.032 -1.769 1.00 0.00 N ATOM 354 CA ASP A 24 -30.540 -0.092 -0.376 1.00 0.00 C ATOM 355 C ASP A 24 -29.594 0.736 0.424 1.00 0.00 C ATOM 356 O ASP A 24 -29.959 1.171 1.515 1.00 0.00 O ATOM 357 CB ASP A 24 -30.527 -1.534 0.157 1.00 0.00 C ATOM 358 CG ASP A 24 -29.154 -2.171 0.318 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.329 -2.116 -0.633 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.847 -2.612 1.458 1.00 0.00 O ATOM 0 H ASP A 24 -29.535 -0.724 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.550 0.304 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.028 -1.548 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.118 -2.155 -0.516 1.00 0.00 H new ATOM 365 N GLY A 25 -28.380 1.076 -0.044 1.00 0.00 N ATOM 366 CA GLY A 25 -27.460 1.906 0.669 1.00 0.00 C ATOM 367 C GLY A 25 -26.396 1.190 1.427 1.00 0.00 C ATOM 368 O GLY A 25 -25.750 1.804 2.274 1.00 0.00 O ATOM 0 H GLY A 25 -28.027 0.763 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.983 2.581 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.024 2.525 1.367 1.00 0.00 H new ATOM 372 N THR A 26 -26.163 -0.075 1.033 1.00 0.00 N ATOM 373 CA THR A 26 -25.045 -0.844 1.484 1.00 0.00 C ATOM 374 C THR A 26 -24.375 -1.559 0.362 1.00 0.00 C ATOM 375 O THR A 26 -24.901 -1.817 -0.720 1.00 0.00 O ATOM 376 CB THR A 26 -25.282 -1.795 2.620 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.153 -2.816 2.158 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.795 -1.005 3.837 1.00 0.00 C ATOM 0 H THR A 26 -26.769 -0.576 0.383 1.00 0.00 H new ATOM 0 HA THR A 26 -24.392 -0.076 1.899 1.00 0.00 H new ATOM 0 HB THR A 26 -24.371 -2.289 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.047 -2.442 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.970 -1.689 4.667 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.052 -0.263 4.129 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.727 -0.503 3.578 1.00 0.00 H new ATOM 386 N ILE A 27 -23.174 -2.141 0.534 1.00 0.00 N ATOM 387 CA ILE A 27 -22.306 -2.983 -0.228 1.00 0.00 C ATOM 388 C ILE A 27 -22.147 -4.208 0.606 1.00 0.00 C ATOM 389 O ILE A 27 -21.628 -4.041 1.709 1.00 0.00 O ATOM 390 CB ILE A 27 -20.932 -2.503 -0.588 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.005 -0.988 -0.847 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.544 -3.187 -1.910 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.804 -0.336 -1.530 1.00 0.00 C ATOM 0 H ILE A 27 -22.716 -1.969 1.429 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.782 -3.083 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.216 -2.724 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.887 -0.792 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.161 -0.489 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.547 -2.863 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.549 -4.269 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.261 -2.914 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.989 0.731 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.914 -0.483 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.651 -0.790 -2.509 1.00 0.00 H new ATOM 405 N THR A 28 -22.566 -5.398 0.141 1.00 0.00 N ATOM 406 CA THR A 28 -22.465 -6.619 0.880 1.00 0.00 C ATOM 407 C THR A 28 -21.266 -7.452 0.585 1.00 0.00 C ATOM 408 O THR A 28 -20.319 -7.062 -0.097 1.00 0.00 O ATOM 409 CB THR A 28 -23.720 -7.379 0.569 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.651 -7.714 -0.810 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.978 -6.535 0.829 1.00 0.00 C ATOM 0 H THR A 28 -22.989 -5.515 -0.780 1.00 0.00 H new ATOM 0 HA THR A 28 -22.348 -6.375 1.936 1.00 0.00 H new ATOM 0 HB THR A 28 -23.792 -8.260 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.515 -8.073 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.865 -7.122 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.008 -6.240 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.954 -5.644 0.202 1.00 0.00 H new ATOM 419 N THR A 29 -21.295 -8.734 0.989 1.00 0.00 N ATOM 420 CA THR A 29 -20.313 -9.686 0.572 1.00 0.00 C ATOM 421 C THR A 29 -20.494 -10.108 -0.846 1.00 0.00 C ATOM 422 O THR A 29 -19.512 -10.293 -1.562 1.00 0.00 O ATOM 423 CB THR A 29 -20.293 -10.935 1.402 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.544 -10.669 2.774 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.896 -11.574 1.337 1.00 0.00 C ATOM 0 H THR A 29 -22.007 -9.115 1.612 1.00 0.00 H new ATOM 0 HA THR A 29 -19.371 -9.152 0.698 1.00 0.00 H new ATOM 0 HB THR A 29 -21.069 -11.588 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.524 -11.509 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.883 -12.482 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.657 -11.822 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.156 -10.872 1.721 1.00 0.00 H new ATOM 433 N LYS A 30 -21.744 -10.171 -1.340 1.00 0.00 N ATOM 434 CA LYS A 30 -22.102 -10.488 -2.687 1.00 0.00 C ATOM 435 C LYS A 30 -21.572 -9.419 -3.581 1.00 0.00 C ATOM 436 O LYS A 30 -20.798 -9.653 -4.507 1.00 0.00 O ATOM 437 CB LYS A 30 -23.610 -10.787 -2.698 1.00 0.00 C ATOM 438 CG LYS A 30 -24.011 -12.138 -2.103 1.00 0.00 C ATOM 439 CD LYS A 30 -25.524 -12.181 -1.876 1.00 0.00 C ATOM 440 CE LYS A 30 -25.898 -13.453 -1.111 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.287 -13.282 -0.630 1.00 0.00 N ATOM 0 H LYS A 30 -22.560 -9.987 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.647 -11.391 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.124 -9.999 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.966 -10.742 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.713 -12.943 -2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.489 -12.299 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.842 -11.302 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.045 -12.155 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.819 -14.327 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.218 -13.613 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.579 -14.130 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.339 -12.452 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.921 -13.144 -1.443 1.00 0.00 H new ATOM 455 N GLU A 31 -21.990 -8.169 -3.314 1.00 0.00 N ATOM 456 CA GLU A 31 -21.452 -6.997 -3.930 1.00 0.00 C ATOM 457 C GLU A 31 -19.982 -6.766 -3.852 1.00 0.00 C ATOM 458 O GLU A 31 -19.417 -6.264 -4.823 1.00 0.00 O ATOM 459 CB GLU A 31 -22.266 -5.733 -3.605 1.00 0.00 C ATOM 460 CG GLU A 31 -23.718 -5.812 -4.082 1.00 0.00 C ATOM 461 CD GLU A 31 -24.533 -4.704 -3.430 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.395 -4.456 -2.203 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.438 -4.095 -4.062 1.00 0.00 O ATOM 0 H GLU A 31 -22.731 -7.967 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.575 -7.235 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.253 -5.567 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.785 -4.870 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.760 -5.717 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.141 -6.784 -3.830 1.00 0.00 H new ATOM 470 N LEU A 32 -19.228 -7.067 -2.780 1.00 0.00 N ATOM 471 CA LEU A 32 -17.810 -6.892 -2.724 1.00 0.00 C ATOM 472 C LEU A 32 -17.094 -7.962 -3.474 1.00 0.00 C ATOM 473 O LEU A 32 -16.025 -7.665 -4.005 1.00 0.00 O ATOM 474 CB LEU A 32 -17.295 -6.708 -1.286 1.00 0.00 C ATOM 475 CG LEU A 32 -15.798 -6.367 -1.191 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.489 -5.180 -2.118 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.237 -6.073 0.210 1.00 0.00 C ATOM 0 H LEU A 32 -19.621 -7.447 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.581 -5.956 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.868 -5.915 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.484 -7.623 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.294 -7.284 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.429 -4.935 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.739 -5.446 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.080 -4.317 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.173 -5.848 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.760 -5.218 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.380 -6.944 0.849 1.00 0.00 H new ATOM 489 N GLY A 33 -17.774 -9.115 -3.605 1.00 0.00 N ATOM 490 CA GLY A 33 -17.407 -10.261 -4.379 1.00 0.00 C ATOM 491 C GLY A 33 -17.602 -9.902 -5.812 1.00 0.00 C ATOM 492 O GLY A 33 -16.767 -10.236 -6.652 1.00 0.00 O ATOM 0 H GLY A 33 -18.662 -9.256 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.370 -10.538 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.021 -11.120 -4.110 1.00 0.00 H new ATOM 496 N THR A 34 -18.643 -9.106 -6.110 1.00 0.00 N ATOM 497 CA THR A 34 -18.747 -8.514 -7.408 1.00 0.00 C ATOM 498 C THR A 34 -17.607 -7.650 -7.824 1.00 0.00 C ATOM 499 O THR A 34 -17.051 -7.885 -8.896 1.00 0.00 O ATOM 500 CB THR A 34 -20.027 -7.777 -7.672 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.094 -8.699 -7.506 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.173 -7.252 -9.110 1.00 0.00 C ATOM 0 H THR A 34 -19.400 -8.875 -5.467 1.00 0.00 H new ATOM 0 HA THR A 34 -18.726 -9.412 -8.026 1.00 0.00 H new ATOM 0 HB THR A 34 -20.034 -6.927 -6.989 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.120 -9.005 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.126 -6.733 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.358 -6.562 -9.330 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.139 -8.088 -9.808 1.00 0.00 H new ATOM 510 N VAL A 35 -17.237 -6.616 -7.047 1.00 0.00 N ATOM 511 CA VAL A 35 -16.136 -5.719 -7.219 1.00 0.00 C ATOM 512 C VAL A 35 -14.854 -6.464 -7.363 1.00 0.00 C ATOM 513 O VAL A 35 -14.181 -6.193 -8.356 1.00 0.00 O ATOM 514 CB VAL A 35 -16.026 -4.751 -6.079 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.733 -3.930 -5.941 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.250 -3.820 -6.097 1.00 0.00 C ATOM 0 H VAL A 35 -17.769 -6.386 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.328 -5.157 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.989 -5.390 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.807 -3.278 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.885 -4.604 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.589 -3.325 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.180 -3.111 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.279 -3.276 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.159 -4.412 -5.991 1.00 0.00 H new ATOM 526 N MET A 36 -14.500 -7.401 -6.465 1.00 0.00 N ATOM 527 CA MET A 36 -13.186 -7.965 -6.499 1.00 0.00 C ATOM 528 C MET A 36 -13.038 -9.011 -7.550 1.00 0.00 C ATOM 529 O MET A 36 -12.023 -9.029 -8.245 1.00 0.00 O ATOM 530 CB MET A 36 -12.801 -8.554 -5.132 1.00 0.00 C ATOM 531 CG MET A 36 -12.653 -7.465 -4.067 1.00 0.00 C ATOM 532 SD MET A 36 -11.601 -5.997 -4.276 1.00 0.00 S ATOM 533 CE MET A 36 -11.613 -5.874 -2.464 1.00 0.00 C ATOM 0 H MET A 36 -15.108 -7.762 -5.730 1.00 0.00 H new ATOM 0 HA MET A 36 -12.511 -7.145 -6.745 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.561 -9.270 -4.817 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.864 -9.103 -5.223 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.658 -7.096 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.307 -7.965 -3.162 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.537 -4.827 -2.170 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.542 -6.293 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.768 -6.428 -2.056 1.00 0.00 H new ATOM 543 N ARG A 37 -14.065 -9.829 -7.842 1.00 0.00 N ATOM 544 CA ARG A 37 -14.036 -10.735 -8.948 1.00 0.00 C ATOM 545 C ARG A 37 -14.040 -9.998 -10.243 1.00 0.00 C ATOM 546 O ARG A 37 -13.484 -10.537 -11.199 1.00 0.00 O ATOM 547 CB ARG A 37 -15.159 -11.784 -8.882 1.00 0.00 C ATOM 548 CG ARG A 37 -15.030 -12.731 -7.687 1.00 0.00 C ATOM 549 CD ARG A 37 -16.229 -13.664 -7.507 1.00 0.00 C ATOM 550 NE ARG A 37 -16.102 -14.433 -6.236 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.868 -14.281 -5.117 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.210 -14.070 -5.249 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.356 -14.556 -3.882 1.00 0.00 N ATOM 0 H ARG A 37 -14.929 -9.862 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.100 -11.290 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.121 -11.274 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.156 -12.368 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.129 -13.332 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.901 -12.141 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.152 -13.084 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.293 -14.351 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.370 -15.143 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.631 -14.027 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.792 -13.955 -4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.393 -14.878 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.937 -14.439 -3.052 1.00 0.00 H new ATOM 567 N SER A 38 -14.619 -8.787 -10.321 1.00 0.00 N ATOM 568 CA SER A 38 -14.610 -8.011 -11.522 1.00 0.00 C ATOM 569 C SER A 38 -13.249 -7.550 -11.917 1.00 0.00 C ATOM 570 O SER A 38 -12.982 -7.283 -13.087 1.00 0.00 O ATOM 571 CB SER A 38 -15.404 -6.695 -11.574 1.00 0.00 C ATOM 572 OG SER A 38 -16.808 -6.881 -11.470 1.00 0.00 O ATOM 0 H SER A 38 -15.100 -8.340 -9.540 1.00 0.00 H new ATOM 0 HA SER A 38 -15.077 -8.754 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.070 -6.045 -10.765 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.181 -6.181 -12.509 1.00 0.00 H new ATOM 0 HG SER A 38 -17.024 -7.257 -10.591 1.00 0.00 H new ATOM 578 N LEU A 39 -12.241 -7.558 -11.027 1.00 0.00 N ATOM 579 CA LEU A 39 -10.910 -7.096 -11.270 1.00 0.00 C ATOM 580 C LEU A 39 -10.061 -8.307 -11.447 1.00 0.00 C ATOM 581 O LEU A 39 -8.883 -8.188 -11.780 1.00 0.00 O ATOM 582 CB LEU A 39 -10.342 -6.248 -10.119 1.00 0.00 C ATOM 583 CG LEU A 39 -11.164 -4.961 -9.933 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.941 -4.470 -8.493 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.705 -3.971 -11.017 1.00 0.00 C ATOM 0 H LEU A 39 -12.364 -7.910 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.919 -6.452 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.351 -6.827 -9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.302 -5.994 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.238 -5.100 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.512 -3.556 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.272 -5.236 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.881 -4.269 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.265 -3.041 -10.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.641 -3.768 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.883 -4.402 -12.002 1.00 0.00 H new ATOM 597 N GLY A 40 -10.646 -9.506 -11.277 1.00 0.00 N ATOM 598 CA GLY A 40 -9.927 -10.705 -11.579 1.00 0.00 C ATOM 599 C GLY A 40 -9.306 -11.304 -10.364 1.00 0.00 C ATOM 600 O GLY A 40 -8.390 -12.120 -10.457 1.00 0.00 O ATOM 0 H GLY A 40 -11.598 -9.645 -10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.603 -11.428 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.151 -10.487 -12.313 1.00 0.00 H new ATOM 604 N GLN A 41 -9.759 -11.006 -9.133 1.00 0.00 N ATOM 605 CA GLN A 41 -9.314 -11.605 -7.913 1.00 0.00 C ATOM 606 C GLN A 41 -10.196 -12.760 -7.587 1.00 0.00 C ATOM 607 O GLN A 41 -11.284 -12.865 -8.151 1.00 0.00 O ATOM 608 CB GLN A 41 -9.352 -10.601 -6.749 1.00 0.00 C ATOM 609 CG GLN A 41 -8.669 -9.267 -7.061 1.00 0.00 C ATOM 610 CD GLN A 41 -8.374 -8.516 -5.771 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.121 -9.072 -4.703 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.279 -7.163 -5.865 1.00 0.00 N ATOM 0 H GLN A 41 -10.482 -10.302 -8.981 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.284 -11.934 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.391 -10.412 -6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.872 -11.049 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.743 -9.443 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.309 -8.663 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.488 -6.697 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.999 -6.614 -5.052 1.00 0.00 H new ATOM 621 N ASN A 42 -9.829 -13.645 -6.643 1.00 0.00 N ATOM 622 CA ASN A 42 -10.631 -14.783 -6.314 1.00 0.00 C ATOM 623 C ASN A 42 -10.665 -14.996 -4.839 1.00 0.00 C ATOM 624 O ASN A 42 -10.284 -16.064 -4.363 1.00 0.00 O ATOM 625 CB ASN A 42 -10.177 -16.034 -7.084 1.00 0.00 C ATOM 626 CG ASN A 42 -10.502 -15.981 -8.570 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.578 -16.384 -9.009 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.528 -15.609 -9.443 1.00 0.00 N ATOM 0 H ASN A 42 -8.967 -13.571 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.655 -14.585 -6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.101 -16.158 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.652 -16.913 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.695 -15.666 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.631 -15.273 -9.093 1.00 0.00 H new ATOM 635 N PRO A 43 -11.172 -14.141 -4.001 1.00 0.00 N ATOM 636 CA PRO A 43 -11.314 -14.422 -2.601 1.00 0.00 C ATOM 637 C PRO A 43 -12.534 -15.231 -2.323 1.00 0.00 C ATOM 638 O PRO A 43 -13.386 -15.434 -3.186 1.00 0.00 O ATOM 639 CB PRO A 43 -11.444 -13.083 -1.879 1.00 0.00 C ATOM 640 CG PRO A 43 -12.105 -12.209 -2.957 1.00 0.00 C ATOM 641 CD PRO A 43 -11.390 -12.719 -4.218 1.00 0.00 C ATOM 0 HA PRO A 43 -10.449 -14.991 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.058 -13.160 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.476 -12.689 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.184 -12.357 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.936 -11.146 -2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.996 -12.547 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.445 -12.197 -4.370 1.00 0.00 H new ATOM 649 N THR A 44 -12.533 -15.752 -1.083 1.00 0.00 N ATOM 650 CA THR A 44 -13.562 -16.532 -0.468 1.00 0.00 C ATOM 651 C THR A 44 -14.405 -15.551 0.272 1.00 0.00 C ATOM 652 O THR A 44 -14.003 -14.407 0.476 1.00 0.00 O ATOM 653 CB THR A 44 -13.074 -17.623 0.439 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.201 -17.223 1.484 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.338 -18.690 -0.389 1.00 0.00 C ATOM 0 H THR A 44 -11.740 -15.614 -0.456 1.00 0.00 H new ATOM 0 HA THR A 44 -14.110 -17.077 -1.236 1.00 0.00 H new ATOM 0 HB THR A 44 -13.980 -17.995 0.918 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.945 -18.006 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.984 -19.482 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.020 -19.111 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.488 -18.234 -0.897 1.00 0.00 H new ATOM 663 N GLU A 45 -15.648 -15.886 0.660 1.00 0.00 N ATOM 664 CA GLU A 45 -16.591 -15.031 1.311 1.00 0.00 C ATOM 665 C GLU A 45 -16.275 -14.735 2.737 1.00 0.00 C ATOM 666 O GLU A 45 -16.432 -13.592 3.163 1.00 0.00 O ATOM 667 CB GLU A 45 -18.021 -15.564 1.115 1.00 0.00 C ATOM 668 CG GLU A 45 -18.353 -15.564 -0.378 1.00 0.00 C ATOM 669 CD GLU A 45 -19.690 -16.158 -0.796 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.559 -16.278 0.109 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.887 -16.691 -1.920 1.00 0.00 O ATOM 0 H GLU A 45 -16.020 -16.823 0.507 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.516 -14.059 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.105 -16.573 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.732 -14.942 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.317 -14.534 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.565 -16.108 -0.899 1.00 0.00 H new ATOM 678 N ALA A 46 -15.595 -15.629 3.478 1.00 0.00 N ATOM 679 CA ALA A 46 -15.147 -15.239 4.779 1.00 0.00 C ATOM 680 C ALA A 46 -13.952 -14.350 4.828 1.00 0.00 C ATOM 681 O ALA A 46 -13.858 -13.418 5.625 1.00 0.00 O ATOM 682 CB ALA A 46 -14.757 -16.510 5.552 1.00 0.00 C ATOM 0 H ALA A 46 -15.363 -16.581 3.194 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.980 -14.675 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.411 -16.238 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.624 -17.166 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.959 -17.029 5.021 1.00 0.00 H new ATOM 688 N GLU A 47 -13.004 -14.573 3.900 1.00 0.00 N ATOM 689 CA GLU A 47 -11.914 -13.660 3.740 1.00 0.00 C ATOM 690 C GLU A 47 -12.338 -12.315 3.261 1.00 0.00 C ATOM 691 O GLU A 47 -11.731 -11.317 3.648 1.00 0.00 O ATOM 692 CB GLU A 47 -10.885 -14.380 2.852 1.00 0.00 C ATOM 693 CG GLU A 47 -10.196 -15.634 3.395 1.00 0.00 C ATOM 694 CD GLU A 47 -9.234 -15.240 4.506 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.490 -14.226 4.429 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.131 -16.045 5.470 1.00 0.00 O ATOM 0 H GLU A 47 -12.991 -15.374 3.268 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.455 -13.413 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.384 -14.653 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.108 -13.660 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.939 -16.336 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.657 -16.142 2.595 1.00 0.00 H new ATOM 703 N LEU A 48 -13.430 -12.199 2.483 1.00 0.00 N ATOM 704 CA LEU A 48 -14.046 -10.959 2.128 1.00 0.00 C ATOM 705 C LEU A 48 -14.815 -10.235 3.179 1.00 0.00 C ATOM 706 O LEU A 48 -14.643 -9.033 3.376 1.00 0.00 O ATOM 707 CB LEU A 48 -15.110 -11.217 1.047 1.00 0.00 C ATOM 708 CG LEU A 48 -14.570 -11.148 -0.391 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.664 -11.561 -1.390 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.983 -9.761 -0.700 1.00 0.00 C ATOM 0 H LEU A 48 -13.905 -13.008 2.083 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.186 -10.350 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.550 -12.201 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.911 -10.487 1.159 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.749 -11.858 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.269 -11.508 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.984 -12.581 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.515 -10.887 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.609 -9.744 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.758 -9.004 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.164 -9.551 -0.012 1.00 0.00 H new ATOM 722 N GLN A 49 -15.639 -10.957 3.959 1.00 0.00 N ATOM 723 CA GLN A 49 -16.396 -10.438 5.056 1.00 0.00 C ATOM 724 C GLN A 49 -15.532 -9.854 6.120 1.00 0.00 C ATOM 725 O GLN A 49 -15.885 -8.952 6.878 1.00 0.00 O ATOM 726 CB GLN A 49 -17.310 -11.556 5.586 1.00 0.00 C ATOM 727 CG GLN A 49 -18.366 -11.312 6.667 1.00 0.00 C ATOM 728 CD GLN A 49 -19.257 -12.502 6.994 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.303 -13.443 6.203 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.092 -12.330 8.053 1.00 0.00 N ATOM 0 H GLN A 49 -15.785 -11.956 3.816 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.010 -9.607 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.836 -11.964 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.655 -12.342 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.860 -10.998 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.999 -10.483 6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.984 -11.518 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.827 -13.013 8.239 1.00 0.00 H new ATOM 739 N ASP A 50 -14.268 -10.309 6.173 1.00 0.00 N ATOM 740 CA ASP A 50 -13.292 -9.853 7.113 1.00 0.00 C ATOM 741 C ASP A 50 -12.821 -8.468 6.828 1.00 0.00 C ATOM 742 O ASP A 50 -12.685 -7.606 7.695 1.00 0.00 O ATOM 743 CB ASP A 50 -12.077 -10.796 7.125 1.00 0.00 C ATOM 744 CG ASP A 50 -11.249 -10.565 8.381 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.799 -10.822 9.485 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.116 -10.030 8.248 1.00 0.00 O ATOM 0 H ASP A 50 -13.912 -11.022 5.537 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.782 -9.850 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.411 -11.833 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.465 -10.625 6.240 1.00 0.00 H new ATOM 751 N MET A 51 -12.488 -8.190 5.555 1.00 0.00 N ATOM 752 CA MET A 51 -12.215 -6.846 5.152 1.00 0.00 C ATOM 753 C MET A 51 -13.371 -5.906 5.156 1.00 0.00 C ATOM 754 O MET A 51 -13.160 -4.696 5.085 1.00 0.00 O ATOM 755 CB MET A 51 -11.518 -6.769 3.783 1.00 0.00 C ATOM 756 CG MET A 51 -12.426 -7.037 2.581 1.00 0.00 C ATOM 757 SD MET A 51 -11.549 -6.805 1.005 1.00 0.00 S ATOM 758 CE MET A 51 -10.733 -8.427 0.998 1.00 0.00 C ATOM 0 H MET A 51 -12.408 -8.886 4.813 1.00 0.00 H new ATOM 0 HA MET A 51 -11.545 -6.508 5.942 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.076 -5.779 3.672 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.699 -7.488 3.768 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.810 -8.055 2.636 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.286 -6.369 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.688 -8.310 1.287 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.233 -9.089 1.705 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.787 -8.857 -0.002 1.00 0.00 H new ATOM 768 N ILE A 52 -14.604 -6.441 5.196 1.00 0.00 N ATOM 769 CA ILE A 52 -15.807 -5.726 5.490 1.00 0.00 C ATOM 770 C ILE A 52 -15.907 -5.360 6.931 1.00 0.00 C ATOM 771 O ILE A 52 -16.203 -4.231 7.319 1.00 0.00 O ATOM 772 CB ILE A 52 -16.993 -6.421 4.891 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.915 -6.607 3.367 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.262 -5.611 5.209 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.023 -7.429 2.711 1.00 0.00 C ATOM 0 H ILE A 52 -14.770 -7.430 5.012 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.784 -4.753 4.999 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.012 -7.417 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.907 -5.620 2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.960 -7.077 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.130 -6.110 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.386 -5.538 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.171 -4.611 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.849 -7.483 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.025 -8.436 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.987 -6.956 2.899 1.00 0.00 H new ATOM 787 N ASN A 53 -15.710 -6.324 7.849 1.00 0.00 N ATOM 788 CA ASN A 53 -15.767 -6.119 9.263 1.00 0.00 C ATOM 789 C ASN A 53 -14.704 -5.241 9.828 1.00 0.00 C ATOM 790 O ASN A 53 -15.000 -4.572 10.816 1.00 0.00 O ATOM 791 CB ASN A 53 -15.699 -7.434 10.057 1.00 0.00 C ATOM 792 CG ASN A 53 -16.962 -8.277 9.949 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.069 -7.786 9.733 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.911 -9.628 10.103 1.00 0.00 N ATOM 0 H ASN A 53 -15.502 -7.289 7.593 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.732 -5.624 9.376 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.850 -8.019 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.513 -7.206 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.765 -10.181 10.037 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.018 -10.087 10.284 1.00 0.00 H new ATOM 801 N GLU A 54 -13.479 -5.204 9.273 1.00 0.00 N ATOM 802 CA GLU A 54 -12.473 -4.201 9.437 1.00 0.00 C ATOM 803 C GLU A 54 -12.939 -2.787 9.498 1.00 0.00 C ATOM 804 O GLU A 54 -12.472 -2.012 10.331 1.00 0.00 O ATOM 805 CB GLU A 54 -11.560 -4.290 8.202 1.00 0.00 C ATOM 806 CG GLU A 54 -10.189 -3.616 8.291 1.00 0.00 C ATOM 807 CD GLU A 54 -9.230 -4.212 9.311 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.070 -5.462 9.325 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.616 -3.426 10.081 1.00 0.00 O ATOM 0 H GLU A 54 -13.166 -5.949 8.650 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.008 -4.410 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.403 -5.344 7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.094 -3.857 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.719 -3.658 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.336 -2.563 8.529 1.00 0.00 H new ATOM 816 N VAL A 55 -13.933 -2.438 8.662 1.00 0.00 N ATOM 817 CA VAL A 55 -14.456 -1.112 8.555 1.00 0.00 C ATOM 818 C VAL A 55 -15.799 -0.915 9.170 1.00 0.00 C ATOM 819 O VAL A 55 -16.370 0.168 9.289 1.00 0.00 O ATOM 820 CB VAL A 55 -14.411 -0.534 7.172 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.911 -0.454 6.841 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.322 -1.214 6.135 1.00 0.00 C ATOM 0 H VAL A 55 -14.389 -3.104 8.038 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.752 -0.541 9.160 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.862 0.457 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.781 -0.040 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.412 0.187 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.476 -1.453 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.211 -0.717 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.042 -2.263 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.360 -1.145 6.461 1.00 0.00 H new ATOM 832 N ASP A 56 -16.364 -2.002 9.724 1.00 0.00 N ATOM 833 CA ASP A 56 -17.732 -2.030 10.141 1.00 0.00 C ATOM 834 C ASP A 56 -17.983 -1.443 11.487 1.00 0.00 C ATOM 835 O ASP A 56 -17.671 -2.019 12.528 1.00 0.00 O ATOM 836 CB ASP A 56 -18.298 -3.455 10.016 1.00 0.00 C ATOM 837 CG ASP A 56 -19.812 -3.603 10.049 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.480 -2.997 9.169 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.319 -4.369 10.911 1.00 0.00 O ATOM 0 H ASP A 56 -15.863 -2.876 9.885 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.271 -1.372 9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.936 -3.882 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.881 -4.057 10.824 1.00 0.00 H new ATOM 844 N ALA A 57 -18.483 -0.198 11.587 1.00 0.00 N ATOM 845 CA ALA A 57 -18.566 0.495 12.835 1.00 0.00 C ATOM 846 C ALA A 57 -19.787 0.210 13.639 1.00 0.00 C ATOM 847 O ALA A 57 -19.864 0.432 14.846 1.00 0.00 O ATOM 848 CB ALA A 57 -18.361 1.969 12.446 1.00 0.00 C ATOM 0 H ALA A 57 -18.834 0.335 10.791 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.809 0.155 13.541 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.407 2.591 13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.387 2.088 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.143 2.274 11.751 1.00 0.00 H new ATOM 854 N ASP A 58 -20.872 -0.147 12.929 1.00 0.00 N ATOM 855 CA ASP A 58 -22.213 -0.413 13.348 1.00 0.00 C ATOM 856 C ASP A 58 -22.458 -1.765 13.924 1.00 0.00 C ATOM 857 O ASP A 58 -22.894 -1.971 15.055 1.00 0.00 O ATOM 858 CB ASP A 58 -23.251 -0.005 12.288 1.00 0.00 C ATOM 859 CG ASP A 58 -23.002 -0.494 10.868 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.718 -1.691 10.598 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.983 0.364 9.946 1.00 0.00 O ATOM 0 H ASP A 58 -20.791 -0.264 11.919 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.355 0.244 14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.227 -0.370 12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.309 1.083 12.269 1.00 0.00 H new ATOM 866 N GLY A 59 -22.330 -2.746 13.012 1.00 0.00 N ATOM 867 CA GLY A 59 -22.692 -4.118 13.186 1.00 0.00 C ATOM 868 C GLY A 59 -23.286 -4.888 12.056 1.00 0.00 C ATOM 869 O GLY A 59 -23.315 -6.116 12.108 1.00 0.00 O ATOM 0 H GLY A 59 -21.945 -2.565 12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.796 -4.651 13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.399 -4.163 14.014 1.00 0.00 H new ATOM 873 N ASN A 60 -23.715 -4.229 10.965 1.00 0.00 N ATOM 874 CA ASN A 60 -24.403 -4.935 9.929 1.00 0.00 C ATOM 875 C ASN A 60 -23.605 -5.877 9.095 1.00 0.00 C ATOM 876 O ASN A 60 -24.240 -6.757 8.517 1.00 0.00 O ATOM 877 CB ASN A 60 -25.371 -4.060 9.116 1.00 0.00 C ATOM 878 CG ASN A 60 -24.658 -2.908 8.422 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.495 -2.979 8.028 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.424 -1.806 8.200 1.00 0.00 N ATOM 0 H ASN A 60 -23.590 -3.230 10.801 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.020 -5.621 10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.876 -4.675 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.142 -3.663 9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.037 -1.009 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.386 -1.777 8.539 1.00 0.00 H new ATOM 887 N GLY A 61 -22.263 -5.782 9.124 1.00 0.00 N ATOM 888 CA GLY A 61 -21.395 -6.632 8.371 1.00 0.00 C ATOM 889 C GLY A 61 -21.513 -6.377 6.907 1.00 0.00 C ATOM 890 O GLY A 61 -21.361 -7.284 6.090 1.00 0.00 O ATOM 0 H GLY A 61 -21.767 -5.092 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.364 -6.472 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.634 -7.675 8.580 1.00 0.00 H new ATOM 894 N THR A 62 -21.772 -5.100 6.573 1.00 0.00 N ATOM 895 CA THR A 62 -21.872 -4.627 5.227 1.00 0.00 C ATOM 896 C THR A 62 -21.363 -3.229 5.153 1.00 0.00 C ATOM 897 O THR A 62 -21.496 -2.479 6.118 1.00 0.00 O ATOM 898 CB THR A 62 -23.283 -4.558 4.722 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.221 -3.777 5.448 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.799 -6.007 4.751 1.00 0.00 C ATOM 0 H THR A 62 -21.918 -4.368 7.268 1.00 0.00 H new ATOM 0 HA THR A 62 -21.300 -5.334 4.627 1.00 0.00 H new ATOM 0 HB THR A 62 -23.221 -4.067 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.798 -3.430 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.828 -6.034 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.175 -6.628 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.759 -6.387 5.772 1.00 0.00 H new ATOM 908 N ILE A 63 -20.755 -2.788 4.037 1.00 0.00 N ATOM 909 CA ILE A 63 -20.184 -1.479 3.961 1.00 0.00 C ATOM 910 C ILE A 63 -21.163 -0.381 3.723 1.00 0.00 C ATOM 911 O ILE A 63 -21.794 -0.374 2.668 1.00 0.00 O ATOM 912 CB ILE A 63 -19.113 -1.332 2.921 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.219 -2.547 2.622 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.169 -0.198 3.357 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.414 -2.379 1.334 1.00 0.00 C ATOM 0 H ILE A 63 -20.659 -3.340 3.185 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.757 -1.379 4.959 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.676 -1.155 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.535 -2.705 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.839 -3.440 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.381 -0.074 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.733 0.731 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.723 -0.446 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.800 -3.265 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.096 -2.249 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.771 -1.503 1.418 1.00 0.00 H new ATOM 927 N ASP A 64 -21.410 0.514 4.696 1.00 0.00 N ATOM 928 CA ASP A 64 -22.205 1.687 4.501 1.00 0.00 C ATOM 929 C ASP A 64 -21.361 2.734 3.860 1.00 0.00 C ATOM 930 O ASP A 64 -20.136 2.634 3.911 1.00 0.00 O ATOM 931 CB ASP A 64 -22.774 2.170 5.846 1.00 0.00 C ATOM 932 CG ASP A 64 -23.711 1.104 6.395 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.922 1.135 6.050 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.290 0.222 7.191 1.00 0.00 O ATOM 0 H ASP A 64 -21.047 0.420 5.645 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.050 1.466 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.965 2.360 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.309 3.110 5.713 1.00 0.00 H new ATOM 939 N PHE A 65 -21.963 3.803 3.309 1.00 0.00 N ATOM 940 CA PHE A 65 -21.140 4.903 2.911 1.00 0.00 C ATOM 941 C PHE A 65 -20.242 5.493 3.943 1.00 0.00 C ATOM 942 O PHE A 65 -19.117 5.738 3.511 1.00 0.00 O ATOM 943 CB PHE A 65 -22.152 5.930 2.375 1.00 0.00 C ATOM 944 CG PHE A 65 -21.576 7.012 1.527 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.623 6.667 0.597 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.887 8.327 1.778 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.806 7.678 0.148 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.167 9.338 1.188 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.120 8.999 0.363 1.00 0.00 C ATOM 0 H PHE A 65 -22.964 3.907 3.145 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.404 4.559 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.908 5.401 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.662 6.388 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.522 5.654 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.703 8.567 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.900 7.429 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.417 10.373 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.542 9.774 -0.118 1.00 0.00 H new ATOM 959 N PRO A 66 -20.498 5.779 5.185 1.00 0.00 N ATOM 960 CA PRO A 66 -19.475 6.352 6.011 1.00 0.00 C ATOM 961 C PRO A 66 -18.353 5.423 6.324 1.00 0.00 C ATOM 962 O PRO A 66 -17.276 5.919 6.651 1.00 0.00 O ATOM 963 CB PRO A 66 -20.206 6.763 7.287 1.00 0.00 C ATOM 964 CG PRO A 66 -21.639 6.213 7.210 1.00 0.00 C ATOM 965 CD PRO A 66 -21.843 5.970 5.706 1.00 0.00 C ATOM 0 HA PRO A 66 -18.992 7.181 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.693 6.369 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.219 7.848 7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.748 5.293 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.365 6.924 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.467 5.095 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.337 6.817 5.230 1.00 0.00 H new ATOM 973 N GLU A 67 -18.425 4.095 6.125 1.00 0.00 N ATOM 974 CA GLU A 67 -17.370 3.153 6.335 1.00 0.00 C ATOM 975 C GLU A 67 -16.617 3.093 5.051 1.00 0.00 C ATOM 976 O GLU A 67 -15.417 2.825 5.071 1.00 0.00 O ATOM 977 CB GLU A 67 -17.835 1.771 6.826 1.00 0.00 C ATOM 978 CG GLU A 67 -18.876 1.966 7.930 1.00 0.00 C ATOM 979 CD GLU A 67 -19.751 0.737 8.133 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.999 -0.018 7.156 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.112 0.374 9.284 1.00 0.00 O ATOM 0 H GLU A 67 -19.281 3.649 5.794 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.734 3.486 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.262 1.201 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.987 1.199 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.369 2.205 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.507 2.820 7.683 1.00 0.00 H new ATOM 988 N PHE A 68 -17.251 3.340 3.891 1.00 0.00 N ATOM 989 CA PHE A 68 -16.603 3.474 2.623 1.00 0.00 C ATOM 990 C PHE A 68 -15.802 4.729 2.582 1.00 0.00 C ATOM 991 O PHE A 68 -14.645 4.750 2.166 1.00 0.00 O ATOM 992 CB PHE A 68 -17.622 3.440 1.472 1.00 0.00 C ATOM 993 CG PHE A 68 -17.040 3.385 0.101 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.530 2.216 -0.412 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.111 4.507 -0.691 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.055 2.145 -1.701 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.536 4.496 -1.940 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.985 3.324 -2.404 1.00 0.00 C ATOM 0 H PHE A 68 -18.263 3.452 3.835 1.00 0.00 H new ATOM 0 HA PHE A 68 -15.929 2.627 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.269 2.573 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.255 4.325 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.502 1.334 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.616 5.392 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.751 1.206 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.517 5.390 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.478 3.331 -3.357 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.298 5.867 3.101 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.475 7.020 3.294 1.00 0.00 C ATOM 1010 C LEU A 69 -14.308 6.812 4.196 1.00 0.00 C ATOM 1011 O LEU A 69 -13.274 7.396 3.876 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.385 8.164 3.772 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.439 8.653 2.764 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.289 9.799 3.338 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.795 9.029 1.419 1.00 0.00 C ATOM 0 H LEU A 69 -17.270 5.988 3.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.007 7.267 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.899 7.839 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.756 9.010 4.049 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.120 7.823 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.021 10.116 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.806 9.455 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.643 10.639 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.567 9.370 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.068 9.826 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.293 8.157 0.999 1.00 0.00 H new ATOM 1027 N THR A 70 -14.441 5.974 5.240 1.00 0.00 N ATOM 1028 CA THR A 70 -13.341 5.561 6.056 1.00 0.00 C ATOM 1029 C THR A 70 -12.243 4.771 5.433 1.00 0.00 C ATOM 1030 O THR A 70 -11.053 4.991 5.655 1.00 0.00 O ATOM 1031 CB THR A 70 -13.893 5.003 7.335 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.775 5.983 7.862 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.792 4.766 8.383 1.00 0.00 C ATOM 0 H THR A 70 -15.335 5.574 5.524 1.00 0.00 H new ATOM 0 HA THR A 70 -12.756 6.459 6.256 1.00 0.00 H new ATOM 0 HB THR A 70 -14.378 4.050 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.650 5.903 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.236 4.362 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.062 4.058 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.296 5.710 8.610 1.00 0.00 H new ATOM 1041 N MET A 71 -12.679 3.872 4.533 1.00 0.00 N ATOM 1042 CA MET A 71 -11.851 3.040 3.715 1.00 0.00 C ATOM 1043 C MET A 71 -11.013 3.897 2.831 1.00 0.00 C ATOM 1044 O MET A 71 -9.789 3.823 2.733 1.00 0.00 O ATOM 1045 CB MET A 71 -12.729 2.041 2.942 1.00 0.00 C ATOM 1046 CG MET A 71 -12.072 1.119 1.912 1.00 0.00 C ATOM 1047 SD MET A 71 -13.197 0.033 0.984 1.00 0.00 S ATOM 1048 CE MET A 71 -13.806 -0.932 2.396 1.00 0.00 C ATOM 0 H MET A 71 -13.673 3.717 4.366 1.00 0.00 H new ATOM 0 HA MET A 71 -11.168 2.449 4.325 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.233 1.410 3.674 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.502 2.612 2.427 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.523 1.735 1.200 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.339 0.497 2.426 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.260 -1.856 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.975 -1.170 3.060 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.550 -0.350 2.941 1.00 0.00 H new ATOM 1058 N MET A 72 -11.707 4.798 2.112 1.00 0.00 N ATOM 1059 CA MET A 72 -11.192 5.784 1.213 1.00 0.00 C ATOM 1060 C MET A 72 -10.264 6.793 1.797 1.00 0.00 C ATOM 1061 O MET A 72 -9.328 7.211 1.118 1.00 0.00 O ATOM 1062 CB MET A 72 -12.328 6.531 0.496 1.00 0.00 C ATOM 1063 CG MET A 72 -12.879 5.712 -0.674 1.00 0.00 C ATOM 1064 SD MET A 72 -11.698 5.440 -2.029 1.00 0.00 S ATOM 1065 CE MET A 72 -12.859 4.612 -3.154 1.00 0.00 C ATOM 0 H MET A 72 -12.725 4.838 2.167 1.00 0.00 H new ATOM 0 HA MET A 72 -10.596 5.191 0.520 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.130 6.744 1.203 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.962 7.491 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.211 4.744 -0.299 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.759 6.218 -1.072 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.400 4.505 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.107 3.626 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.768 5.207 -3.241 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.392 7.194 3.075 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.540 8.007 3.886 1.00 0.00 C ATOM 1077 C ALA A 73 -8.224 7.384 4.201 1.00 0.00 C ATOM 1078 O ALA A 73 -7.181 8.027 4.099 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.315 8.565 5.091 1.00 0.00 C ATOM 0 H ALA A 73 -11.211 6.903 3.609 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.240 8.871 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.651 9.181 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.150 9.170 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.694 7.740 5.693 1.00 0.00 H new ATOM 1234 N GLU A 83 4.616 3.259 4.952 1.00 0.00 N ATOM 1235 CA GLU A 83 5.775 4.008 4.576 1.00 0.00 C ATOM 1236 C GLU A 83 7.030 3.296 4.947 1.00 0.00 C ATOM 1237 O GLU A 83 8.013 3.365 4.212 1.00 0.00 O ATOM 1238 CB GLU A 83 5.875 5.423 5.171 1.00 0.00 C ATOM 1239 CG GLU A 83 4.627 6.203 4.753 1.00 0.00 C ATOM 1240 CD GLU A 83 4.699 7.639 5.250 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.234 7.937 6.383 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.232 8.486 4.484 1.00 0.00 O ATOM 0 HA GLU A 83 5.658 4.106 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.948 5.375 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.775 5.924 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.533 6.193 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.737 5.718 5.155 1.00 0.00 H new ATOM 1249 N GLU A 84 7.000 2.441 5.986 1.00 0.00 N ATOM 1250 CA GLU A 84 7.976 1.449 6.313 1.00 0.00 C ATOM 1251 C GLU A 84 7.925 0.269 5.405 1.00 0.00 C ATOM 1252 O GLU A 84 8.940 -0.365 5.121 1.00 0.00 O ATOM 1253 CB GLU A 84 7.682 0.872 7.708 1.00 0.00 C ATOM 1254 CG GLU A 84 7.983 1.878 8.820 1.00 0.00 C ATOM 1255 CD GLU A 84 7.757 1.216 10.172 1.00 0.00 C ATOM 1256 OE1 GLU A 84 8.610 0.434 10.670 1.00 0.00 O ATOM 1257 OE2 GLU A 84 6.666 1.434 10.763 1.00 0.00 O ATOM 0 H GLU A 84 6.227 2.446 6.651 1.00 0.00 H new ATOM 0 HA GLU A 84 8.940 1.952 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.635 0.573 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.279 -0.027 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.012 2.228 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.341 2.753 8.719 1.00 0.00 H new ATOM 1264 N ILE A 85 6.756 -0.008 4.800 1.00 0.00 N ATOM 1265 CA ILE A 85 6.688 -0.904 3.688 1.00 0.00 C ATOM 1266 C ILE A 85 7.246 -0.313 2.439 1.00 0.00 C ATOM 1267 O ILE A 85 8.057 -0.909 1.731 1.00 0.00 O ATOM 1268 CB ILE A 85 5.316 -1.472 3.474 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.894 -2.625 4.400 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.133 -1.878 2.002 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.392 -2.890 4.309 1.00 0.00 C ATOM 0 H ILE A 85 5.859 0.388 5.081 1.00 0.00 H new ATOM 0 HA ILE A 85 7.330 -1.744 3.953 1.00 0.00 H new ATOM 0 HB ILE A 85 4.647 -0.656 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.442 -3.528 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.161 -2.384 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.133 -2.289 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.260 -1.003 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.876 -2.631 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.126 -3.711 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.846 -1.993 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.131 -3.155 3.285 1.00 0.00 H new ATOM 1283 N ARG A 86 6.849 0.908 2.040 1.00 0.00 N ATOM 1284 CA ARG A 86 7.312 1.620 0.889 1.00 0.00 C ATOM 1285 C ARG A 86 8.758 1.976 0.833 1.00 0.00 C ATOM 1286 O ARG A 86 9.302 1.967 -0.270 1.00 0.00 O ATOM 1287 CB ARG A 86 6.343 2.805 0.738 1.00 0.00 C ATOM 1288 CG ARG A 86 6.601 3.650 -0.511 1.00 0.00 C ATOM 1289 CD ARG A 86 5.763 4.929 -0.448 1.00 0.00 C ATOM 1290 NE ARG A 86 4.376 4.542 -0.065 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.450 5.334 0.551 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.895 6.514 1.075 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.232 4.868 0.952 1.00 0.00 N ATOM 0 H ARG A 86 6.151 1.437 2.563 1.00 0.00 H new ATOM 0 HA ARG A 86 7.290 0.958 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.321 2.427 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.420 3.441 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.660 3.900 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.348 3.081 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.181 5.625 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.766 5.436 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 86 4.089 3.588 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.880 6.768 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.243 7.141 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.983 3.891 0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.571 5.496 1.409 1.00 0.00 H new ATOM 1307 N GLU A 87 9.414 2.229 1.980 1.00 0.00 N ATOM 1308 CA GLU A 87 10.835 2.384 1.960 1.00 0.00 C ATOM 1309 C GLU A 87 11.352 0.987 2.014 1.00 0.00 C ATOM 1310 O GLU A 87 12.403 0.764 1.417 1.00 0.00 O ATOM 1311 CB GLU A 87 11.370 3.243 3.118 1.00 0.00 C ATOM 1312 CG GLU A 87 12.835 3.669 3.007 1.00 0.00 C ATOM 1313 CD GLU A 87 13.180 4.646 4.122 1.00 0.00 C ATOM 1314 OE1 GLU A 87 13.277 4.185 5.291 1.00 0.00 O ATOM 1315 OE2 GLU A 87 13.359 5.846 3.779 1.00 0.00 O ATOM 0 H GLU A 87 8.976 2.324 2.896 1.00 0.00 H new ATOM 0 HA GLU A 87 11.166 2.923 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.755 4.140 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.242 2.688 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.482 2.794 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.015 4.133 2.037 1.00 0.00 H new ATOM 1322 N ALA A 88 10.809 -0.087 2.615 1.00 0.00 N ATOM 1323 CA ALA A 88 11.463 -1.359 2.643 1.00 0.00 C ATOM 1324 C ALA A 88 11.333 -2.083 1.348 1.00 0.00 C ATOM 1325 O ALA A 88 12.219 -2.879 1.039 1.00 0.00 O ATOM 1326 CB ALA A 88 11.106 -2.294 3.811 1.00 0.00 C ATOM 0 H ALA A 88 9.905 -0.073 3.087 1.00 0.00 H new ATOM 0 HA ALA A 88 12.503 -1.085 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.667 -3.224 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.359 -1.811 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.038 -2.511 3.790 1.00 0.00 H new ATOM 1332 N PHE A 89 10.312 -1.738 0.543 1.00 0.00 N ATOM 1333 CA PHE A 89 10.247 -2.122 -0.833 1.00 0.00 C ATOM 1334 C PHE A 89 11.529 -1.827 -1.533 1.00 0.00 C ATOM 1335 O PHE A 89 12.183 -2.626 -2.202 1.00 0.00 O ATOM 1336 CB PHE A 89 9.067 -1.370 -1.472 1.00 0.00 C ATOM 1337 CG PHE A 89 8.721 -1.853 -2.838 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.486 -3.198 -3.000 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.987 -1.036 -3.911 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.274 -3.689 -4.267 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.847 -1.569 -5.171 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.395 -2.855 -5.354 1.00 0.00 C ATOM 0 H PHE A 89 9.516 -1.181 0.854 1.00 0.00 H new ATOM 0 HA PHE A 89 10.091 -3.197 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.193 -1.469 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.308 -0.308 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.468 -3.858 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.295 -0.011 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.013 -4.727 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.096 -0.967 -6.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.137 -3.207 -6.342 1.00 0.00 H new ATOM 1352 N ARG A 90 11.898 -0.534 -1.524 1.00 0.00 N ATOM 1353 CA ARG A 90 13.006 -0.014 -2.264 1.00 0.00 C ATOM 1354 C ARG A 90 14.345 -0.344 -1.699 1.00 0.00 C ATOM 1355 O ARG A 90 15.352 -0.300 -2.404 1.00 0.00 O ATOM 1356 CB ARG A 90 12.806 1.473 -2.598 1.00 0.00 C ATOM 1357 CG ARG A 90 12.680 2.385 -1.376 1.00 0.00 C ATOM 1358 CD ARG A 90 12.787 3.893 -1.610 1.00 0.00 C ATOM 1359 NE ARG A 90 14.244 4.093 -1.851 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.873 4.489 -2.995 1.00 0.00 C ATOM 1361 NH1 ARG A 90 14.202 4.608 -4.178 1.00 0.00 N ATOM 1362 NH2 ARG A 90 16.191 4.846 -2.991 1.00 0.00 N ATOM 0 H ARG A 90 11.407 0.176 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 90 13.015 -0.549 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.646 1.813 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.909 1.578 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.718 2.185 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.452 2.099 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.189 4.212 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.439 4.461 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 90 14.853 3.909 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.205 4.399 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.698 4.906 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.724 4.819 -2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.643 5.139 -3.857 1.00 0.00 H new ATOM 1376 N VAL A 91 14.288 -0.858 -0.457 1.00 0.00 N ATOM 1377 CA VAL A 91 15.408 -1.397 0.249 1.00 0.00 C ATOM 1378 C VAL A 91 15.678 -2.783 -0.229 1.00 0.00 C ATOM 1379 O VAL A 91 16.805 -3.105 -0.600 1.00 0.00 O ATOM 1380 CB VAL A 91 15.263 -1.432 1.741 1.00 0.00 C ATOM 1381 CG1 VAL A 91 16.422 -2.198 2.400 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.497 -0.001 2.254 1.00 0.00 C ATOM 0 H VAL A 91 13.421 -0.899 0.079 1.00 0.00 H new ATOM 0 HA VAL A 91 16.233 -0.717 0.036 1.00 0.00 H new ATOM 0 HB VAL A 91 14.292 -1.873 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.286 -2.204 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.437 -3.223 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.366 -1.710 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.400 0.017 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.498 0.327 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.759 0.669 1.813 1.00 0.00 H new ATOM 1392 N PHE A 92 14.643 -3.632 -0.362 1.00 0.00 N ATOM 1393 CA PHE A 92 14.691 -4.940 -0.936 1.00 0.00 C ATOM 1394 C PHE A 92 14.993 -4.973 -2.395 1.00 0.00 C ATOM 1395 O PHE A 92 15.596 -5.944 -2.848 1.00 0.00 O ATOM 1396 CB PHE A 92 13.413 -5.739 -0.628 1.00 0.00 C ATOM 1397 CG PHE A 92 13.082 -5.914 0.814 1.00 0.00 C ATOM 1398 CD1 PHE A 92 13.942 -5.715 1.869 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.809 -6.291 1.172 1.00 0.00 C ATOM 1400 CE1 PHE A 92 13.630 -6.098 3.152 1.00 0.00 C ATOM 1401 CE2 PHE A 92 11.456 -6.768 2.413 1.00 0.00 C ATOM 1402 CZ PHE A 92 12.369 -6.574 3.422 1.00 0.00 C ATOM 0 H PHE A 92 13.706 -3.385 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 92 15.541 -5.420 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.573 -5.244 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.508 -6.726 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.895 -5.242 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.032 -6.207 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.367 -6.026 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.514 -7.267 2.585 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.092 -6.799 4.441 1.00 0.00 H new ATOM 1412 N ASP A 93 14.741 -3.882 -3.141 1.00 0.00 N ATOM 1413 CA ASP A 93 15.136 -3.856 -4.515 1.00 0.00 C ATOM 1414 C ASP A 93 16.510 -3.294 -4.644 1.00 0.00 C ATOM 1415 O ASP A 93 16.795 -2.098 -4.602 1.00 0.00 O ATOM 1416 CB ASP A 93 14.150 -2.959 -5.281 1.00 0.00 C ATOM 1417 CG ASP A 93 14.311 -3.196 -6.776 1.00 0.00 C ATOM 1418 OD1 ASP A 93 14.945 -4.202 -7.193 1.00 0.00 O ATOM 1419 OD2 ASP A 93 13.753 -2.429 -7.605 1.00 0.00 O ATOM 0 H ASP A 93 14.276 -3.039 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 93 15.131 -4.868 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.127 -3.179 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.335 -1.911 -5.045 1.00 0.00 H new ATOM 1424 N LYS A 94 17.433 -4.268 -4.741 1.00 0.00 N ATOM 1425 CA LYS A 94 18.823 -3.942 -4.819 1.00 0.00 C ATOM 1426 C LYS A 94 19.327 -3.250 -6.038 1.00 0.00 C ATOM 1427 O LYS A 94 20.045 -2.259 -5.918 1.00 0.00 O ATOM 1428 CB LYS A 94 19.657 -5.184 -4.462 1.00 0.00 C ATOM 1429 CG LYS A 94 19.050 -5.927 -3.270 1.00 0.00 C ATOM 1430 CD LYS A 94 19.304 -5.053 -2.040 1.00 0.00 C ATOM 1431 CE LYS A 94 18.848 -5.750 -0.756 1.00 0.00 C ATOM 1432 NZ LYS A 94 18.720 -4.835 0.400 1.00 0.00 N ATOM 0 H LYS A 94 17.222 -5.266 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 94 18.950 -3.150 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.710 -5.851 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.679 -4.885 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.982 -6.090 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.508 -6.909 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.366 -4.819 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.775 -4.106 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.887 -6.232 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.559 -6.538 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.425 -5.374 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.637 -4.380 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.009 -4.106 0.189 1.00 0.00 H new ATOM 1446 N ASP A 95 18.908 -3.828 -7.178 1.00 0.00 N ATOM 1447 CA ASP A 95 19.081 -3.322 -8.504 1.00 0.00 C ATOM 1448 C ASP A 95 18.385 -2.040 -8.811 1.00 0.00 C ATOM 1449 O ASP A 95 18.785 -1.287 -9.697 1.00 0.00 O ATOM 1450 CB ASP A 95 18.790 -4.286 -9.666 1.00 0.00 C ATOM 1451 CG ASP A 95 17.356 -4.789 -9.758 1.00 0.00 C ATOM 1452 OD1 ASP A 95 16.405 -3.962 -9.744 1.00 0.00 O ATOM 1453 OD2 ASP A 95 17.108 -6.019 -9.872 1.00 0.00 O ATOM 0 H ASP A 95 18.410 -4.718 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 95 20.157 -3.155 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.042 -3.786 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.453 -5.146 -9.576 1.00 0.00 H new ATOM 1458 N GLY A 96 17.242 -1.813 -8.138 1.00 0.00 N ATOM 1459 CA GLY A 96 16.469 -0.613 -8.219 1.00 0.00 C ATOM 1460 C GLY A 96 15.722 -0.393 -9.490 1.00 0.00 C ATOM 1461 O GLY A 96 15.625 0.714 -10.018 1.00 0.00 O ATOM 0 H GLY A 96 16.837 -2.503 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.753 -0.611 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.136 0.235 -8.063 1.00 0.00 H new ATOM 1465 N ASN A 97 15.313 -1.489 -10.153 1.00 0.00 N ATOM 1466 CA ASN A 97 14.521 -1.414 -11.341 1.00 0.00 C ATOM 1467 C ASN A 97 13.111 -0.995 -11.100 1.00 0.00 C ATOM 1468 O ASN A 97 12.651 -0.293 -11.999 1.00 0.00 O ATOM 1469 CB ASN A 97 14.585 -2.646 -12.259 1.00 0.00 C ATOM 1470 CG ASN A 97 13.805 -3.880 -11.829 1.00 0.00 C ATOM 1471 OD1 ASN A 97 13.504 -4.131 -10.663 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.459 -4.737 -12.827 1.00 0.00 N ATOM 0 H ASN A 97 15.535 -2.441 -9.861 1.00 0.00 H new ATOM 0 HA ASN A 97 15.011 -0.613 -11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.230 -2.350 -13.246 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.632 -2.930 -12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.948 -5.592 -12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.711 -4.524 -13.792 1.00 0.00 H new ATOM 1479 N GLY A 98 12.516 -1.359 -9.950 1.00 0.00 N ATOM 1480 CA GLY A 98 11.149 -0.970 -9.790 1.00 0.00 C ATOM 1481 C GLY A 98 10.336 -2.099 -9.259 1.00 0.00 C ATOM 1482 O GLY A 98 9.381 -1.914 -8.506 1.00 0.00 O ATOM 0 H GLY A 98 12.940 -1.882 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.085 -0.120 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.745 -0.644 -10.748 1.00 0.00 H new ATOM 1486 N TYR A 99 10.760 -3.326 -9.611 1.00 0.00 N ATOM 1487 CA TYR A 99 10.216 -4.588 -9.216 1.00 0.00 C ATOM 1488 C TYR A 99 11.129 -5.376 -8.341 1.00 0.00 C ATOM 1489 O TYR A 99 12.334 -5.462 -8.572 1.00 0.00 O ATOM 1490 CB TYR A 99 9.990 -5.530 -10.411 1.00 0.00 C ATOM 1491 CG TYR A 99 9.203 -4.843 -11.473 1.00 0.00 C ATOM 1492 CD1 TYR A 99 7.844 -4.840 -11.264 1.00 0.00 C ATOM 1493 CD2 TYR A 99 9.747 -4.087 -12.484 1.00 0.00 C ATOM 1494 CE1 TYR A 99 7.022 -4.168 -12.138 1.00 0.00 C ATOM 1495 CE2 TYR A 99 8.893 -3.464 -13.364 1.00 0.00 C ATOM 1496 CZ TYR A 99 7.531 -3.425 -13.177 1.00 0.00 C ATOM 1497 OH TYR A 99 6.722 -2.870 -14.191 1.00 0.00 O ATOM 0 H TYR A 99 11.561 -3.443 -10.232 1.00 0.00 H new ATOM 0 HA TYR A 99 9.294 -4.306 -8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.950 -5.854 -10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.464 -6.426 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.424 -5.363 -10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.817 -3.985 -12.585 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.952 -4.225 -12.005 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.309 -2.986 -14.238 1.00 0.00 H new ATOM 0 HH TYR A 99 7.285 -2.381 -14.827 1.00 0.00 H new ATOM 1507 N ILE A 100 10.642 -6.210 -7.404 1.00 0.00 N ATOM 1508 CA ILE A 100 11.451 -7.189 -6.747 1.00 0.00 C ATOM 1509 C ILE A 100 11.282 -8.406 -7.590 1.00 0.00 C ATOM 1510 O ILE A 100 10.177 -8.919 -7.758 1.00 0.00 O ATOM 1511 CB ILE A 100 11.183 -7.524 -5.309 1.00 0.00 C ATOM 1512 CG1 ILE A 100 10.800 -6.235 -4.563 1.00 0.00 C ATOM 1513 CG2 ILE A 100 12.525 -8.093 -4.817 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.315 -6.515 -3.141 1.00 0.00 C ATOM 0 H ILE A 100 9.669 -6.204 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 100 12.455 -6.773 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 100 10.366 -8.229 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.662 -5.568 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.018 -5.715 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.439 -8.372 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.785 -8.972 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.303 -7.338 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.056 -5.575 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.437 -7.160 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.106 -7.010 -2.578 1.00 0.00 H new ATOM 1526 N SER A 101 12.318 -8.989 -8.219 1.00 0.00 N ATOM 1527 CA SER A 101 12.089 -10.219 -8.912 1.00 0.00 C ATOM 1528 C SER A 101 12.052 -11.356 -7.949 1.00 0.00 C ATOM 1529 O SER A 101 12.553 -11.244 -6.831 1.00 0.00 O ATOM 1530 CB SER A 101 13.144 -10.565 -9.977 1.00 0.00 C ATOM 1531 OG SER A 101 14.460 -10.607 -9.446 1.00 0.00 O ATOM 0 H SER A 101 13.272 -8.630 -8.250 1.00 0.00 H new ATOM 0 HA SER A 101 11.136 -10.071 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.904 -11.531 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.102 -9.827 -10.778 1.00 0.00 H new ATOM 0 HG SER A 101 14.764 -9.696 -9.252 1.00 0.00 H new ATOM 1537 N ALA A 102 11.503 -12.507 -8.376 1.00 0.00 N ATOM 1538 CA ALA A 102 11.566 -13.656 -7.527 1.00 0.00 C ATOM 1539 C ALA A 102 12.934 -14.082 -7.116 1.00 0.00 C ATOM 1540 O ALA A 102 13.217 -14.525 -6.004 1.00 0.00 O ATOM 1541 CB ALA A 102 10.903 -14.885 -8.172 1.00 0.00 C ATOM 0 H ALA A 102 11.034 -12.642 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 102 11.033 -13.317 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.974 -15.735 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.854 -14.668 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.411 -15.124 -9.106 1.00 0.00 H new ATOM 1547 N ALA A 103 13.980 -13.900 -7.943 1.00 0.00 N ATOM 1548 CA ALA A 103 15.366 -13.990 -7.606 1.00 0.00 C ATOM 1549 C ALA A 103 15.807 -13.201 -6.421 1.00 0.00 C ATOM 1550 O ALA A 103 16.372 -13.772 -5.490 1.00 0.00 O ATOM 1551 CB ALA A 103 16.252 -13.803 -8.849 1.00 0.00 C ATOM 0 H ALA A 103 13.842 -13.671 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 103 15.506 -15.011 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 103 17.301 -13.876 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.021 -14.577 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.063 -12.823 -9.286 1.00 0.00 H new ATOM 1557 N GLU A 104 15.566 -11.878 -6.382 1.00 0.00 N ATOM 1558 CA GLU A 104 15.787 -10.930 -5.335 1.00 0.00 C ATOM 1559 C GLU A 104 14.980 -11.159 -4.103 1.00 0.00 C ATOM 1560 O GLU A 104 15.438 -11.232 -2.964 1.00 0.00 O ATOM 1561 CB GLU A 104 15.498 -9.549 -5.946 1.00 0.00 C ATOM 1562 CG GLU A 104 16.453 -9.063 -7.038 1.00 0.00 C ATOM 1563 CD GLU A 104 15.822 -7.897 -7.785 1.00 0.00 C ATOM 1564 OE1 GLU A 104 14.891 -8.055 -8.620 1.00 0.00 O ATOM 1565 OE2 GLU A 104 16.301 -6.760 -7.527 1.00 0.00 O ATOM 0 H GLU A 104 15.162 -11.417 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 104 16.814 -11.025 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.490 -9.565 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.501 -8.814 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.401 -8.755 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.673 -9.875 -7.731 1.00 0.00 H new ATOM 1572 N LEU A 105 13.661 -11.344 -4.293 1.00 0.00 N ATOM 1573 CA LEU A 105 12.666 -11.665 -3.317 1.00 0.00 C ATOM 1574 C LEU A 105 13.015 -12.890 -2.546 1.00 0.00 C ATOM 1575 O LEU A 105 12.838 -12.959 -1.330 1.00 0.00 O ATOM 1576 CB LEU A 105 11.240 -11.615 -3.892 1.00 0.00 C ATOM 1577 CG LEU A 105 10.100 -11.269 -2.918 1.00 0.00 C ATOM 1578 CD1 LEU A 105 10.094 -9.809 -2.436 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.677 -11.563 -3.423 1.00 0.00 C ATOM 0 H LEU A 105 13.254 -11.260 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 105 12.662 -10.875 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.227 -10.884 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.021 -12.586 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 105 10.338 -11.945 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.258 -9.654 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.029 -9.593 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.991 -9.143 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.954 -11.281 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.487 -10.989 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.580 -12.627 -3.639 1.00 0.00 H new ATOM 1591 N ARG A 106 13.606 -13.927 -3.167 1.00 0.00 N ATOM 1592 CA ARG A 106 14.010 -15.118 -2.486 1.00 0.00 C ATOM 1593 C ARG A 106 15.217 -14.905 -1.640 1.00 0.00 C ATOM 1594 O ARG A 106 15.263 -15.264 -0.465 1.00 0.00 O ATOM 1595 CB ARG A 106 14.395 -16.181 -3.528 1.00 0.00 C ATOM 1596 CG ARG A 106 14.639 -17.595 -2.997 1.00 0.00 C ATOM 1597 CD ARG A 106 15.350 -18.453 -4.046 1.00 0.00 C ATOM 1598 NE ARG A 106 15.358 -19.913 -3.750 1.00 0.00 N ATOM 1599 CZ ARG A 106 15.452 -20.927 -4.659 1.00 0.00 C ATOM 1600 NH1 ARG A 106 15.189 -20.751 -5.987 1.00 0.00 N ATOM 1601 NH2 ARG A 106 15.653 -22.202 -4.216 1.00 0.00 N ATOM 0 H ARG A 106 13.808 -13.938 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 106 13.174 -15.423 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.604 -16.229 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.298 -15.847 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.241 -17.549 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.689 -18.056 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.871 -18.294 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.380 -18.109 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 106 15.286 -20.182 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.910 -19.834 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.272 -21.537 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.731 -22.388 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.725 -22.969 -4.885 1.00 0.00 H new ATOM 1615 N HIS A 107 16.236 -14.237 -2.210 1.00 0.00 N ATOM 1616 CA HIS A 107 17.406 -13.766 -1.535 1.00 0.00 C ATOM 1617 C HIS A 107 17.128 -13.043 -0.262 1.00 0.00 C ATOM 1618 O HIS A 107 17.493 -13.321 0.879 1.00 0.00 O ATOM 1619 CB HIS A 107 18.408 -13.020 -2.431 1.00 0.00 C ATOM 1620 CG HIS A 107 19.709 -12.728 -1.742 1.00 0.00 C ATOM 1621 ND1 HIS A 107 20.622 -13.702 -1.393 1.00 0.00 N ATOM 1622 CD2 HIS A 107 20.157 -11.556 -1.218 1.00 0.00 C ATOM 1623 CE1 HIS A 107 21.687 -13.116 -0.783 1.00 0.00 C ATOM 1624 NE2 HIS A 107 21.389 -11.836 -0.663 1.00 0.00 N ATOM 0 H HIS A 107 16.243 -14.012 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 107 17.913 -14.687 -1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.602 -13.615 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.961 -12.083 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.652 -10.601 -1.233 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.596 -13.602 -0.461 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.991 -11.144 -0.218 1.00 0.00 H new ATOM 1632 N VAL A 108 16.372 -11.936 -0.369 1.00 0.00 N ATOM 1633 CA VAL A 108 15.775 -11.125 0.646 1.00 0.00 C ATOM 1634 C VAL A 108 15.076 -11.892 1.716 1.00 0.00 C ATOM 1635 O VAL A 108 15.438 -11.808 2.889 1.00 0.00 O ATOM 1636 CB VAL A 108 14.890 -10.075 0.044 1.00 0.00 C ATOM 1637 CG1 VAL A 108 14.235 -9.265 1.175 1.00 0.00 C ATOM 1638 CG2 VAL A 108 15.751 -8.988 -0.622 1.00 0.00 C ATOM 0 H VAL A 108 16.153 -11.564 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 108 16.604 -10.632 1.154 1.00 0.00 H new ATOM 0 HB VAL A 108 14.199 -10.584 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.589 -8.498 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.642 -9.930 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.009 -8.791 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.103 -8.227 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 108 16.399 -8.529 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 108 16.362 -9.437 -1.405 1.00 0.00 H new ATOM 1648 N MET A 109 14.025 -12.678 1.420 1.00 0.00 N ATOM 1649 CA MET A 109 13.214 -13.369 2.374 1.00 0.00 C ATOM 1650 C MET A 109 13.948 -14.487 3.030 1.00 0.00 C ATOM 1651 O MET A 109 13.662 -14.895 4.155 1.00 0.00 O ATOM 1652 CB MET A 109 11.933 -13.841 1.666 1.00 0.00 C ATOM 1653 CG MET A 109 10.979 -12.768 1.138 1.00 0.00 C ATOM 1654 SD MET A 109 10.226 -11.651 2.360 1.00 0.00 S ATOM 1655 CE MET A 109 9.787 -10.394 1.125 1.00 0.00 C ATOM 0 H MET A 109 13.725 -12.840 0.459 1.00 0.00 H new ATOM 0 HA MET A 109 12.946 -12.691 3.185 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.226 -14.472 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.378 -14.471 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.522 -12.160 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.176 -13.267 0.596 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.274 -9.566 1.615 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.693 -10.025 0.643 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.131 -10.835 0.375 1.00 0.00 H new ATOM 1665 N THR A 110 15.011 -15.033 2.413 1.00 0.00 N ATOM 1666 CA THR A 110 15.847 -16.051 2.969 1.00 0.00 C ATOM 1667 C THR A 110 16.706 -15.431 4.017 1.00 0.00 C ATOM 1668 O THR A 110 17.149 -16.075 4.966 1.00 0.00 O ATOM 1669 CB THR A 110 16.731 -16.753 1.981 1.00 0.00 C ATOM 1670 OG1 THR A 110 15.842 -17.408 1.089 1.00 0.00 O ATOM 1671 CG2 THR A 110 17.580 -17.911 2.531 1.00 0.00 C ATOM 0 H THR A 110 15.302 -14.749 1.478 1.00 0.00 H new ATOM 0 HA THR A 110 15.176 -16.813 3.366 1.00 0.00 H new ATOM 0 HB THR A 110 17.406 -15.993 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.415 -16.745 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 110 18.176 -18.340 1.725 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.241 -17.538 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.925 -18.678 2.945 1.00 0.00 H new ATOM 1679 N ASN A 111 16.967 -14.114 3.936 1.00 0.00 N ATOM 1680 CA ASN A 111 17.802 -13.461 4.896 1.00 0.00 C ATOM 1681 C ASN A 111 16.925 -12.914 5.970 1.00 0.00 C ATOM 1682 O ASN A 111 17.462 -12.717 7.058 1.00 0.00 O ATOM 1683 CB ASN A 111 18.527 -12.265 4.255 1.00 0.00 C ATOM 1684 CG ASN A 111 19.454 -12.580 3.090 1.00 0.00 C ATOM 1685 OD1 ASN A 111 20.020 -13.672 3.063 1.00 0.00 O ATOM 1686 ND2 ASN A 111 19.700 -11.610 2.170 1.00 0.00 N ATOM 0 H ASN A 111 16.600 -13.502 3.207 1.00 0.00 H new ATOM 0 HA ASN A 111 18.531 -14.176 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 111 17.775 -11.555 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.109 -11.764 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.375 -11.775 1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 111 19.210 -10.717 2.227 1.00 0.00 H new ATOM 1693 N LEU A 112 15.669 -12.575 5.626 1.00 0.00 N ATOM 1694 CA LEU A 112 14.724 -12.002 6.533 1.00 0.00 C ATOM 1695 C LEU A 112 14.168 -12.932 7.555 1.00 0.00 C ATOM 1696 O LEU A 112 14.252 -12.791 8.774 1.00 0.00 O ATOM 1697 CB LEU A 112 13.561 -11.291 5.820 1.00 0.00 C ATOM 1698 CG LEU A 112 12.928 -10.083 6.531 1.00 0.00 C ATOM 1699 CD1 LEU A 112 12.096 -9.413 5.426 1.00 0.00 C ATOM 1700 CD2 LEU A 112 12.101 -10.252 7.817 1.00 0.00 C ATOM 0 H LEU A 112 15.299 -12.704 4.684 1.00 0.00 H new ATOM 0 HA LEU A 112 15.332 -11.272 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 112 13.916 -10.960 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 112 12.776 -12.026 5.641 1.00 0.00 H new ATOM 0 HG LEU A 112 13.754 -9.514 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.597 -8.532 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.751 -9.116 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.349 -10.115 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.747 -9.277 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.247 -10.899 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.722 -10.700 8.593 1.00 0.00 H new ATOM 1712 N GLY A 113 13.577 -14.069 7.146 1.00 0.00 N ATOM 1713 CA GLY A 113 12.756 -14.869 8.001 1.00 0.00 C ATOM 1714 C GLY A 113 12.620 -16.225 7.399 1.00 0.00 C ATOM 1715 O GLY A 113 13.535 -17.035 7.538 1.00 0.00 O ATOM 0 H GLY A 113 13.672 -14.440 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.200 -14.939 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.775 -14.409 8.122 1.00 0.00 H new ATOM 1719 N GLU A 114 11.497 -16.462 6.699 1.00 0.00 N ATOM 1720 CA GLU A 114 11.014 -17.729 6.244 1.00 0.00 C ATOM 1721 C GLU A 114 11.483 -17.968 4.850 1.00 0.00 C ATOM 1722 O GLU A 114 11.127 -17.214 3.945 1.00 0.00 O ATOM 1723 CB GLU A 114 9.476 -17.734 6.252 1.00 0.00 C ATOM 1724 CG GLU A 114 8.885 -17.481 7.640 1.00 0.00 C ATOM 1725 CD GLU A 114 7.367 -17.377 7.613 1.00 0.00 C ATOM 1726 OE1 GLU A 114 6.758 -18.275 6.973 1.00 0.00 O ATOM 1727 OE2 GLU A 114 6.784 -16.400 8.154 1.00 0.00 O ATOM 0 H GLU A 114 10.874 -15.701 6.429 1.00 0.00 H new ATOM 0 HA GLU A 114 11.390 -18.510 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.112 -16.971 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.119 -18.695 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.179 -18.289 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.303 -16.560 8.048 1.00 0.00 H new ATOM 1734 N LYS A 115 12.260 -19.059 4.729 1.00 0.00 N ATOM 1735 CA LYS A 115 13.228 -19.234 3.691 1.00 0.00 C ATOM 1736 C LYS A 115 12.550 -19.852 2.517 1.00 0.00 C ATOM 1737 O LYS A 115 11.962 -20.931 2.579 1.00 0.00 O ATOM 1738 CB LYS A 115 14.438 -20.126 4.016 1.00 0.00 C ATOM 1739 CG LYS A 115 15.325 -19.522 5.106 1.00 0.00 C ATOM 1740 CD LYS A 115 16.427 -20.493 5.531 1.00 0.00 C ATOM 1741 CE LYS A 115 15.915 -21.904 5.828 1.00 0.00 C ATOM 1742 NZ LYS A 115 15.111 -21.915 7.071 1.00 0.00 N ATOM 0 H LYS A 115 12.213 -19.846 5.376 1.00 0.00 H new ATOM 0 HA LYS A 115 13.624 -18.233 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.088 -21.107 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.028 -20.278 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.773 -18.598 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.715 -19.261 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.178 -20.546 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.924 -20.101 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.310 -22.260 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.757 -22.589 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.772 -22.881 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.699 -21.595 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.297 -21.277 6.963 1.00 0.00 H new ATOM 1756 N LEU A 116 12.543 -19.128 1.383 1.00 0.00 N ATOM 1757 CA LEU A 116 11.893 -19.540 0.178 1.00 0.00 C ATOM 1758 C LEU A 116 12.742 -20.505 -0.577 1.00 0.00 C ATOM 1759 O LEU A 116 13.872 -20.141 -0.897 1.00 0.00 O ATOM 1760 CB LEU A 116 11.461 -18.289 -0.604 1.00 0.00 C ATOM 1761 CG LEU A 116 10.416 -17.474 0.177 1.00 0.00 C ATOM 1762 CD1 LEU A 116 10.152 -16.093 -0.448 1.00 0.00 C ATOM 1763 CD2 LEU A 116 9.063 -18.202 0.251 1.00 0.00 C ATOM 0 H LEU A 116 13.007 -18.223 1.303 1.00 0.00 H new ATOM 0 HA LEU A 116 10.981 -20.098 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.332 -17.666 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.048 -18.585 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 116 10.843 -17.353 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.407 -15.562 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.078 -15.518 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.784 -16.219 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.353 -17.594 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.683 -18.368 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.193 -19.161 0.752 1.00 0.00 H new ATOM 1775 N THR A 117 12.133 -21.678 -0.823 1.00 0.00 N ATOM 1776 CA THR A 117 12.659 -22.685 -1.691 1.00 0.00 C ATOM 1777 C THR A 117 12.012 -22.454 -3.013 1.00 0.00 C ATOM 1778 O THR A 117 11.089 -21.641 -3.024 1.00 0.00 O ATOM 1779 CB THR A 117 12.352 -24.101 -1.302 1.00 0.00 C ATOM 1780 OG1 THR A 117 11.020 -24.314 -0.859 1.00 0.00 O ATOM 1781 CG2 THR A 117 13.374 -24.454 -0.209 1.00 0.00 C ATOM 0 H THR A 117 11.240 -21.935 -0.402 1.00 0.00 H new ATOM 0 HA THR A 117 13.745 -22.594 -1.668 1.00 0.00 H new ATOM 0 HB THR A 117 12.431 -24.747 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.900 -25.258 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.210 -25.478 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.383 -24.360 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.254 -23.774 0.634 1.00 0.00 H new ATOM 1789 N ASP A 118 12.366 -23.137 -4.116 1.00 0.00 N ATOM 1790 CA ASP A 118 11.585 -22.952 -5.300 1.00 0.00 C ATOM 1791 C ASP A 118 10.118 -23.213 -5.311 1.00 0.00 C ATOM 1792 O ASP A 118 9.331 -22.320 -5.620 1.00 0.00 O ATOM 1793 CB ASP A 118 12.226 -23.840 -6.379 1.00 0.00 C ATOM 1794 CG ASP A 118 13.714 -23.605 -6.599 1.00 0.00 C ATOM 1795 OD1 ASP A 118 14.046 -22.718 -7.430 1.00 0.00 O ATOM 1796 OD2 ASP A 118 14.498 -24.235 -5.840 1.00 0.00 O ATOM 0 H ASP A 118 13.150 -23.785 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 118 11.611 -21.872 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.074 -24.885 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.704 -23.676 -7.322 1.00 0.00 H new ATOM 1801 N GLU A 119 9.677 -24.391 -4.837 1.00 0.00 N ATOM 1802 CA GLU A 119 8.283 -24.705 -4.892 1.00 0.00 C ATOM 1803 C GLU A 119 7.373 -23.903 -4.027 1.00 0.00 C ATOM 1804 O GLU A 119 6.227 -23.685 -4.417 1.00 0.00 O ATOM 1805 CB GLU A 119 8.072 -26.200 -4.595 1.00 0.00 C ATOM 1806 CG GLU A 119 8.733 -27.255 -5.484 1.00 0.00 C ATOM 1807 CD GLU A 119 8.265 -26.994 -6.908 1.00 0.00 C ATOM 1808 OE1 GLU A 119 7.038 -27.060 -7.189 1.00 0.00 O ATOM 1809 OE2 GLU A 119 9.121 -26.752 -7.801 1.00 0.00 O ATOM 0 H GLU A 119 10.269 -25.112 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 119 7.999 -24.437 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.409 -26.379 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.998 -26.386 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.819 -27.190 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.453 -28.259 -5.164 1.00 0.00 H new ATOM 1816 N GLU A 120 7.927 -23.361 -2.927 1.00 0.00 N ATOM 1817 CA GLU A 120 7.355 -22.284 -2.180 1.00 0.00 C ATOM 1818 C GLU A 120 7.065 -21.054 -2.969 1.00 0.00 C ATOM 1819 O GLU A 120 6.030 -20.396 -2.874 1.00 0.00 O ATOM 1820 CB GLU A 120 8.195 -21.795 -0.987 1.00 0.00 C ATOM 1821 CG GLU A 120 8.196 -22.759 0.201 1.00 0.00 C ATOM 1822 CD GLU A 120 6.798 -22.945 0.774 1.00 0.00 C ATOM 1823 OE1 GLU A 120 5.967 -21.998 0.784 1.00 0.00 O ATOM 1824 OE2 GLU A 120 6.592 -24.080 1.282 1.00 0.00 O ATOM 0 H GLU A 120 8.813 -23.688 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 120 6.436 -22.762 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.222 -21.638 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.815 -20.828 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.592 -23.724 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.860 -22.380 0.977 1.00 0.00 H new ATOM 1831 N VAL A 121 8.035 -20.587 -3.775 1.00 0.00 N ATOM 1832 CA VAL A 121 7.855 -19.376 -4.515 1.00 0.00 C ATOM 1833 C VAL A 121 6.807 -19.488 -5.568 1.00 0.00 C ATOM 1834 O VAL A 121 5.949 -18.622 -5.732 1.00 0.00 O ATOM 1835 CB VAL A 121 9.082 -18.906 -5.240 1.00 0.00 C ATOM 1836 CG1 VAL A 121 8.834 -17.711 -6.175 1.00 0.00 C ATOM 1837 CG2 VAL A 121 10.213 -18.495 -4.282 1.00 0.00 C ATOM 0 H VAL A 121 8.937 -21.043 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 121 7.576 -18.669 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 121 9.371 -19.775 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.768 -17.430 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.099 -17.987 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.459 -16.867 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.076 -18.163 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.870 -17.682 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.495 -19.348 -3.665 1.00 0.00 H new ATOM 1847 N ASP A 122 6.866 -20.639 -6.262 1.00 0.00 N ATOM 1848 CA ASP A 122 5.853 -20.980 -7.212 1.00 0.00 C ATOM 1849 C ASP A 122 4.483 -21.104 -6.639 1.00 0.00 C ATOM 1850 O ASP A 122 3.462 -20.698 -7.192 1.00 0.00 O ATOM 1851 CB ASP A 122 6.156 -22.290 -7.958 1.00 0.00 C ATOM 1852 CG ASP A 122 7.246 -22.154 -9.011 1.00 0.00 C ATOM 1853 OD1 ASP A 122 7.004 -21.308 -9.912 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.263 -22.896 -8.952 1.00 0.00 O ATOM 0 H ASP A 122 7.610 -21.330 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 122 5.870 -20.133 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.454 -23.049 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.243 -22.646 -8.436 1.00 0.00 H new ATOM 1859 N GLU A 123 4.336 -21.717 -5.451 1.00 0.00 N ATOM 1860 CA GLU A 123 3.080 -21.710 -4.767 1.00 0.00 C ATOM 1861 C GLU A 123 2.540 -20.376 -4.385 1.00 0.00 C ATOM 1862 O GLU A 123 1.359 -20.101 -4.596 1.00 0.00 O ATOM 1863 CB GLU A 123 3.243 -22.655 -3.565 1.00 0.00 C ATOM 1864 CG GLU A 123 2.090 -22.837 -2.577 1.00 0.00 C ATOM 1865 CD GLU A 123 2.422 -23.642 -1.329 1.00 0.00 C ATOM 1866 OE1 GLU A 123 2.721 -24.865 -1.395 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.453 -23.019 -0.234 1.00 0.00 O ATOM 0 H GLU A 123 5.082 -22.215 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 123 2.311 -22.052 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.492 -23.641 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.107 -22.311 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.737 -21.852 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.264 -23.325 -3.094 1.00 0.00 H new ATOM 1874 N MET A 124 3.361 -19.381 -4.004 1.00 0.00 N ATOM 1875 CA MET A 124 2.995 -17.999 -4.031 1.00 0.00 C ATOM 1876 C MET A 124 2.578 -17.383 -5.322 1.00 0.00 C ATOM 1877 O MET A 124 1.500 -16.795 -5.391 1.00 0.00 O ATOM 1878 CB MET A 124 4.127 -17.178 -3.390 1.00 0.00 C ATOM 1879 CG MET A 124 3.707 -15.724 -3.167 1.00 0.00 C ATOM 1880 SD MET A 124 4.968 -14.867 -2.175 1.00 0.00 S ATOM 1881 CE MET A 124 5.961 -14.460 -3.640 1.00 0.00 C ATOM 0 H MET A 124 4.310 -19.543 -3.666 1.00 0.00 H new ATOM 0 HA MET A 124 2.063 -17.974 -3.467 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.409 -17.627 -2.438 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.008 -17.209 -4.031 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.581 -15.221 -4.126 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.744 -15.688 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.015 -14.633 -3.424 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.653 -15.090 -4.475 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.811 -13.412 -3.901 1.00 0.00 H new ATOM 1891 N ILE A 125 3.319 -17.546 -6.433 1.00 0.00 N ATOM 1892 CA ILE A 125 2.910 -17.095 -7.727 1.00 0.00 C ATOM 1893 C ILE A 125 1.636 -17.708 -8.197 1.00 0.00 C ATOM 1894 O ILE A 125 0.861 -17.007 -8.845 1.00 0.00 O ATOM 1895 CB ILE A 125 4.052 -17.253 -8.687 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.016 -16.081 -8.435 1.00 0.00 C ATOM 1897 CG2 ILE A 125 3.619 -17.361 -10.159 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.449 -16.508 -8.751 1.00 0.00 C ATOM 0 H ILE A 125 4.230 -18.005 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 125 2.665 -16.035 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 125 4.549 -18.206 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.736 -15.229 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.945 -15.757 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.501 -17.473 -10.790 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.970 -18.228 -10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.079 -16.459 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.126 -15.673 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.728 -17.346 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.517 -16.810 -9.796 1.00 0.00 H new ATOM 1910 N ARG A 126 1.411 -19.011 -7.951 1.00 0.00 N ATOM 1911 CA ARG A 126 0.213 -19.736 -8.240 1.00 0.00 C ATOM 1912 C ARG A 126 -1.097 -19.159 -7.827 1.00 0.00 C ATOM 1913 O ARG A 126 -2.035 -19.136 -8.623 1.00 0.00 O ATOM 1914 CB ARG A 126 0.229 -21.166 -7.674 1.00 0.00 C ATOM 1915 CG ARG A 126 -0.921 -22.157 -7.866 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.479 -23.576 -8.229 1.00 0.00 C ATOM 1917 NE ARG A 126 0.412 -24.056 -7.136 1.00 0.00 N ATOM 1918 CZ ARG A 126 1.524 -24.831 -7.302 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.246 -24.982 -8.450 1.00 0.00 N ATOM 1920 NH2 ARG A 126 1.919 -25.501 -6.180 1.00 0.00 N ATOM 0 H ARG A 126 2.121 -19.601 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 126 0.253 -19.691 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.121 -21.647 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.377 -21.070 -6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.508 -22.196 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.580 -21.783 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.343 -24.232 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.047 -23.582 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 126 0.171 -23.783 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.967 -24.487 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.065 -25.590 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.393 -25.398 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.741 -26.105 -6.209 1.00 0.00 H new ATOM 1934 N GLU A 127 -1.224 -18.750 -6.552 1.00 0.00 N ATOM 1935 CA GLU A 127 -2.372 -17.999 -6.150 1.00 0.00 C ATOM 1936 C GLU A 127 -2.203 -16.520 -6.098 1.00 0.00 C ATOM 1937 O GLU A 127 -3.125 -15.768 -6.412 1.00 0.00 O ATOM 1938 CB GLU A 127 -2.884 -18.355 -4.744 1.00 0.00 C ATOM 1939 CG GLU A 127 -3.108 -19.866 -4.657 1.00 0.00 C ATOM 1940 CD GLU A 127 -3.272 -20.279 -3.202 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.264 -20.498 -2.478 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -4.413 -20.263 -2.668 1.00 0.00 O ATOM 0 H GLU A 127 -0.546 -18.935 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 127 -3.065 -18.279 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.163 -18.038 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.814 -17.825 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.995 -20.145 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.265 -20.394 -5.102 1.00 0.00 H new ATOM 1949 N ALA A 128 -1.018 -15.955 -5.807 1.00 0.00 N ATOM 1950 CA ALA A 128 -0.936 -14.647 -5.235 1.00 0.00 C ATOM 1951 C ALA A 128 -0.058 -13.791 -6.081 1.00 0.00 C ATOM 1952 O ALA A 128 0.723 -12.958 -5.625 1.00 0.00 O ATOM 1953 CB ALA A 128 -0.353 -14.726 -3.814 1.00 0.00 C ATOM 0 H ALA A 128 -0.116 -16.404 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.936 -14.217 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.295 -13.724 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.995 -15.348 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.645 -15.161 -3.854 1.00 0.00 H new ATOM 1959 N ASP A 129 -0.370 -13.897 -7.385 1.00 0.00 N ATOM 1960 CA ASP A 129 0.130 -12.992 -8.372 1.00 0.00 C ATOM 1961 C ASP A 129 -0.923 -12.427 -9.262 1.00 0.00 C ATOM 1962 O ASP A 129 -1.458 -13.014 -10.200 1.00 0.00 O ATOM 1963 CB ASP A 129 1.422 -13.438 -9.078 1.00 0.00 C ATOM 1964 CG ASP A 129 2.225 -12.212 -9.488 1.00 0.00 C ATOM 1965 OD1 ASP A 129 1.871 -11.575 -10.516 1.00 0.00 O ATOM 1966 OD2 ASP A 129 3.144 -11.795 -8.733 1.00 0.00 O ATOM 0 H ASP A 129 -0.980 -14.624 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 129 0.472 -12.133 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.013 -14.068 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 129 1.181 -14.038 -9.955 1.00 0.00 H new ATOM 1971 N ILE A 130 -1.077 -11.107 -9.053 1.00 0.00 N ATOM 1972 CA ILE A 130 -2.068 -10.303 -9.698 1.00 0.00 C ATOM 1973 C ILE A 130 -1.765 -10.092 -11.142 1.00 0.00 C ATOM 1974 O ILE A 130 -2.740 -10.103 -11.892 1.00 0.00 O ATOM 1975 CB ILE A 130 -2.387 -8.975 -9.077 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -3.860 -8.633 -9.358 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -1.574 -7.739 -9.498 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -4.861 -9.431 -8.524 1.00 0.00 C ATOM 0 H ILE A 130 -0.488 -10.579 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.963 -10.911 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.127 -9.144 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -4.016 -7.570 -9.172 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -4.066 -8.806 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.933 -6.865 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.521 -7.901 -9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.691 -7.574 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -5.875 -9.128 -8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -4.737 -10.495 -8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -4.686 -9.240 -7.465 1.00 0.00 H new ATOM 1990 N ASP A 131 -0.519 -9.960 -11.631 1.00 0.00 N ATOM 1991 CA ASP A 131 -0.186 -10.162 -13.007 1.00 0.00 C ATOM 1992 C ASP A 131 -0.308 -11.568 -13.484 1.00 0.00 C ATOM 1993 O ASP A 131 -0.784 -11.825 -14.589 1.00 0.00 O ATOM 1994 CB ASP A 131 1.190 -9.514 -13.242 1.00 0.00 C ATOM 1995 CG ASP A 131 1.468 -8.275 -12.404 1.00 0.00 C ATOM 1996 OD1 ASP A 131 0.929 -7.192 -12.757 1.00 0.00 O ATOM 1997 OD2 ASP A 131 2.174 -8.377 -11.365 1.00 0.00 O ATOM 0 H ASP A 131 0.281 -9.705 -11.052 1.00 0.00 H new ATOM 0 HA ASP A 131 -0.930 -9.672 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.963 -10.254 -13.037 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.275 -9.248 -14.296 1.00 0.00 H new ATOM 2002 N GLY A 132 0.296 -12.562 -12.808 1.00 0.00 N ATOM 2003 CA GLY A 132 0.566 -13.851 -13.365 1.00 0.00 C ATOM 2004 C GLY A 132 2.019 -14.175 -13.400 1.00 0.00 C ATOM 2005 O GLY A 132 2.391 -15.169 -14.022 1.00 0.00 O ATOM 0 H GLY A 132 0.607 -12.465 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.044 -14.610 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.165 -13.895 -14.377 1.00 0.00 H new ATOM 2009 N ASP A 133 2.836 -13.150 -13.099 1.00 0.00 N ATOM 2010 CA ASP A 133 4.117 -13.077 -13.730 1.00 0.00 C ATOM 2011 C ASP A 133 5.152 -13.905 -13.049 1.00 0.00 C ATOM 2012 O ASP A 133 5.540 -14.976 -13.516 1.00 0.00 O ATOM 2013 CB ASP A 133 4.407 -11.619 -14.126 1.00 0.00 C ATOM 2014 CG ASP A 133 4.734 -10.551 -13.092 1.00 0.00 C ATOM 2015 OD1 ASP A 133 4.686 -10.953 -11.899 1.00 0.00 O ATOM 2016 OD2 ASP A 133 4.777 -9.350 -13.473 1.00 0.00 O ATOM 0 H ASP A 133 2.622 -12.398 -12.444 1.00 0.00 H new ATOM 0 HA ASP A 133 4.136 -13.589 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.242 -11.644 -14.827 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.537 -11.265 -14.679 1.00 0.00 H new ATOM 2021 N GLY A 134 5.824 -13.340 -12.030 1.00 0.00 N ATOM 2022 CA GLY A 134 7.056 -13.770 -11.446 1.00 0.00 C ATOM 2023 C GLY A 134 7.569 -12.747 -10.492 1.00 0.00 C ATOM 2024 O GLY A 134 7.983 -13.156 -9.408 1.00 0.00 O ATOM 0 H GLY A 134 5.468 -12.501 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.908 -14.717 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.793 -13.947 -12.229 1.00 0.00 H new ATOM 2028 N GLN A 135 7.457 -11.470 -10.898 1.00 0.00 N ATOM 2029 CA GLN A 135 8.056 -10.449 -10.096 1.00 0.00 C ATOM 2030 C GLN A 135 7.027 -9.961 -9.135 1.00 0.00 C ATOM 2031 O GLN A 135 5.854 -10.326 -9.201 1.00 0.00 O ATOM 2032 CB GLN A 135 8.499 -9.289 -11.003 1.00 0.00 C ATOM 2033 CG GLN A 135 9.287 -9.784 -12.217 1.00 0.00 C ATOM 2034 CD GLN A 135 10.181 -8.653 -12.705 1.00 0.00 C ATOM 2035 OE1 GLN A 135 11.176 -8.356 -12.047 1.00 0.00 O ATOM 2036 NE2 GLN A 135 9.870 -7.920 -13.808 1.00 0.00 N ATOM 0 H GLN A 135 6.976 -11.153 -11.740 1.00 0.00 H new ATOM 0 HA GLN A 135 8.923 -10.837 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 135 7.622 -8.736 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.113 -8.594 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 135 9.888 -10.654 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 135 8.606 -10.098 -13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.047 -8.157 -14.362 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.460 -7.134 -14.081 1.00 0.00 H new ATOM 2045 N VAL A 136 7.433 -9.097 -8.188 1.00 0.00 N ATOM 2046 CA VAL A 136 6.619 -8.484 -7.184 1.00 0.00 C ATOM 2047 C VAL A 136 6.661 -7.010 -7.397 1.00 0.00 C ATOM 2048 O VAL A 136 7.669 -6.317 -7.524 1.00 0.00 O ATOM 2049 CB VAL A 136 7.078 -8.986 -5.847 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.735 -8.081 -4.652 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.223 -10.264 -5.835 1.00 0.00 C ATOM 0 H VAL A 136 8.408 -8.805 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 136 5.563 -8.748 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 136 8.159 -9.078 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.110 -8.533 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.198 -7.104 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 136 5.654 -7.963 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.403 -10.814 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.168 -9.997 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.491 -10.889 -6.687 1.00 0.00 H new ATOM 2061 N ASN A 137 5.514 -6.344 -7.617 1.00 0.00 N ATOM 2062 CA ASN A 137 5.391 -4.923 -7.728 1.00 0.00 C ATOM 2063 C ASN A 137 5.163 -4.283 -6.402 1.00 0.00 C ATOM 2064 O ASN A 137 5.103 -4.987 -5.395 1.00 0.00 O ATOM 2065 CB ASN A 137 4.425 -4.489 -8.843 1.00 0.00 C ATOM 2066 CG ASN A 137 2.930 -4.481 -8.558 1.00 0.00 C ATOM 2067 OD1 ASN A 137 2.502 -3.862 -7.585 1.00 0.00 O ATOM 2068 ND2 ASN A 137 2.036 -5.088 -9.383 1.00 0.00 N ATOM 0 H ASN A 137 4.621 -6.825 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 137 6.352 -4.534 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 137 4.707 -3.482 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 137 4.594 -5.143 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.037 -5.024 -9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.364 -5.608 -10.197 1.00 0.00 H new ATOM 2075 N TYR A 138 4.993 -2.952 -6.307 1.00 0.00 N ATOM 2076 CA TYR A 138 4.901 -2.257 -5.061 1.00 0.00 C ATOM 2077 C TYR A 138 3.675 -2.633 -4.303 1.00 0.00 C ATOM 2078 O TYR A 138 3.719 -3.114 -3.172 1.00 0.00 O ATOM 2079 CB TYR A 138 4.997 -0.735 -5.264 1.00 0.00 C ATOM 2080 CG TYR A 138 4.487 0.058 -4.110 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.139 0.002 -2.901 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.298 0.711 -4.335 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.540 0.663 -1.854 1.00 0.00 C ATOM 2084 CE2 TYR A 138 2.735 1.395 -3.283 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.359 1.336 -2.060 1.00 0.00 C ATOM 2086 OH TYR A 138 2.888 1.995 -0.905 1.00 0.00 O ATOM 0 H TYR A 138 4.917 -2.342 -7.121 1.00 0.00 H new ATOM 0 HA TYR A 138 5.754 -2.564 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.038 -0.467 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.436 -0.461 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.070 -0.532 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 138 2.823 0.688 -5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.995 0.653 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 138 1.826 1.964 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 138 2.048 2.456 -1.111 1.00 0.00 H new ATOM 2096 N GLU A 139 2.479 -2.571 -4.916 1.00 0.00 N ATOM 2097 CA GLU A 139 1.256 -2.830 -4.221 1.00 0.00 C ATOM 2098 C GLU A 139 1.142 -4.277 -3.881 1.00 0.00 C ATOM 2099 O GLU A 139 0.469 -4.558 -2.891 1.00 0.00 O ATOM 2100 CB GLU A 139 0.070 -2.334 -5.066 1.00 0.00 C ATOM 2101 CG GLU A 139 -0.105 -0.818 -5.167 1.00 0.00 C ATOM 2102 CD GLU A 139 -1.320 -0.535 -6.039 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -1.163 -0.447 -7.286 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -2.470 -0.425 -5.535 1.00 0.00 O ATOM 0 H GLU A 139 2.359 -2.339 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 139 1.247 -2.284 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.178 -2.734 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.845 -2.757 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.239 -0.384 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.786 -0.361 -5.597 1.00 0.00 H new ATOM 2111 N GLU A 140 1.696 -5.218 -4.667 1.00 0.00 N ATOM 2112 CA GLU A 140 1.793 -6.610 -4.356 1.00 0.00 C ATOM 2113 C GLU A 140 2.605 -6.831 -3.127 1.00 0.00 C ATOM 2114 O GLU A 140 2.057 -7.524 -2.271 1.00 0.00 O ATOM 2115 CB GLU A 140 2.359 -7.468 -5.500 1.00 0.00 C ATOM 2116 CG GLU A 140 1.613 -7.342 -6.830 1.00 0.00 C ATOM 2117 CD GLU A 140 2.297 -8.159 -7.916 1.00 0.00 C ATOM 2118 OE1 GLU A 140 3.516 -8.062 -8.221 1.00 0.00 O ATOM 2119 OE2 GLU A 140 1.720 -9.200 -8.329 1.00 0.00 O ATOM 0 H GLU A 140 2.101 -4.992 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 140 0.766 -6.935 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.402 -7.194 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 140 2.347 -8.513 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.584 -7.681 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.570 -6.295 -7.130 1.00 0.00 H new ATOM 2126 N PHE A 141 3.776 -6.198 -2.936 1.00 0.00 N ATOM 2127 CA PHE A 141 4.562 -6.129 -1.743 1.00 0.00 C ATOM 2128 C PHE A 141 3.892 -5.535 -0.552 1.00 0.00 C ATOM 2129 O PHE A 141 3.989 -6.091 0.541 1.00 0.00 O ATOM 2130 CB PHE A 141 5.884 -5.457 -2.154 1.00 0.00 C ATOM 2131 CG PHE A 141 6.830 -5.685 -1.025 1.00 0.00 C ATOM 2132 CD1 PHE A 141 7.482 -6.840 -0.663 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.964 -4.624 -0.161 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.411 -6.749 0.347 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.643 -4.629 1.035 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.520 -5.676 1.199 1.00 0.00 C ATOM 0 H PHE A 141 4.216 -5.682 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 141 4.741 -7.133 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.269 -5.887 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.741 -4.392 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.273 -7.780 -1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.490 -3.697 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 141 9.098 -7.572 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 141 7.499 -3.869 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.272 -5.656 1.974 1.00 0.00 H new ATOM 2146 N VAL A 142 3.100 -4.460 -0.712 1.00 0.00 N ATOM 2147 CA VAL A 142 2.196 -3.971 0.282 1.00 0.00 C ATOM 2148 C VAL A 142 1.337 -5.038 0.867 1.00 0.00 C ATOM 2149 O VAL A 142 1.375 -5.331 2.061 1.00 0.00 O ATOM 2150 CB VAL A 142 1.433 -2.789 -0.237 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.691 -2.386 1.049 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.315 -1.583 -0.600 1.00 0.00 C ATOM 0 H VAL A 142 3.089 -3.909 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 142 2.787 -3.619 1.128 1.00 0.00 H new ATOM 0 HB VAL A 142 0.864 -3.034 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.067 -1.514 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.064 -3.213 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.416 -2.145 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.688 -0.771 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.859 -1.250 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.025 -1.872 -1.375 1.00 0.00 H new ATOM 2162 N GLN A 143 0.514 -5.675 0.015 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.434 -6.693 0.344 1.00 0.00 C ATOM 2164 C GLN A 143 0.191 -7.847 1.051 1.00 0.00 C ATOM 2165 O GLN A 143 -0.308 -8.395 2.033 1.00 0.00 O ATOM 2166 CB GLN A 143 -1.187 -7.168 -0.910 1.00 0.00 C ATOM 2167 CG GLN A 143 -2.129 -6.110 -1.489 1.00 0.00 C ATOM 2168 CD GLN A 143 -3.363 -5.765 -0.667 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -3.282 -5.042 0.325 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.522 -6.372 -1.040 1.00 0.00 N ATOM 0 H GLN A 143 0.513 -5.460 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.150 -6.245 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.463 -7.456 -1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.762 -8.060 -0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -1.558 -5.195 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.459 -6.450 -2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.543 -6.964 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.369 -6.235 -0.489 1.00 0.00 H new ATOM 2179 N MET A 144 1.387 -8.283 0.618 1.00 0.00 N ATOM 2180 CA MET A 144 2.213 -9.356 1.079 1.00 0.00 C ATOM 2181 C MET A 144 2.599 -9.161 2.505 1.00 0.00 C ATOM 2182 O MET A 144 2.508 -10.033 3.368 1.00 0.00 O ATOM 2183 CB MET A 144 3.493 -9.471 0.235 1.00 0.00 C ATOM 2184 CG MET A 144 4.255 -10.768 0.517 1.00 0.00 C ATOM 2185 SD MET A 144 5.766 -10.796 -0.493 1.00 0.00 S ATOM 2186 CE MET A 144 5.034 -10.714 -2.152 1.00 0.00 C ATOM 0 H MET A 144 1.834 -7.811 -0.168 1.00 0.00 H new ATOM 0 HA MET A 144 1.629 -10.271 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.234 -9.426 -0.823 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.140 -8.619 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.508 -10.834 1.575 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.630 -11.630 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.643 -11.291 -2.847 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.025 -11.126 -2.125 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.994 -9.676 -2.481 1.00 0.00 H new ATOM 2196 N MET A 145 3.126 -7.980 2.871 1.00 0.00 N ATOM 2197 CA MET A 145 3.520 -7.562 4.181 1.00 0.00 C ATOM 2198 C MET A 145 2.342 -7.286 5.051 1.00 0.00 C ATOM 2199 O MET A 145 2.288 -7.496 6.262 1.00 0.00 O ATOM 2200 CB MET A 145 4.593 -6.461 4.204 1.00 0.00 C ATOM 2201 CG MET A 145 5.953 -7.102 3.923 1.00 0.00 C ATOM 2202 SD MET A 145 6.628 -8.297 5.116 1.00 0.00 S ATOM 2203 CE MET A 145 8.157 -8.498 4.158 1.00 0.00 C ATOM 0 H MET A 145 3.292 -7.247 2.181 1.00 0.00 H new ATOM 0 HA MET A 145 4.035 -8.414 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.371 -5.700 3.456 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.603 -5.962 5.173 1.00 0.00 H new ATOM 0 HG2 MET A 145 5.887 -7.603 2.957 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.680 -6.297 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 145 8.549 -9.504 4.305 1.00 0.00 H new ATOM 0 HE2 MET A 145 7.947 -8.342 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 145 8.895 -7.769 4.493 1.00 0.00 H new