USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 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 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 145 MET CE :methyl 177:sc= -0.0491 (180deg=-0.0653) USER MOD Set 2.1: A 26 THR OG1 : rot -82:sc= 1.13 USER MOD Set 2.2: A 62 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 5 THR OG1 : rot -23:sc= 0.0756 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.0785 X(o=-0.0029,f=0.064) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 77:sc= 0.0514 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -59:sc= 0.696 USER MOD Single : A 29 THR OG1 : rot 136:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 42 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.8!) USER MOD Single : A 44 THR OG1 : rot -97:sc= 1.16 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -152:sc= 0 (180deg=-0.0263) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 60 ASN : amide:sc= 1.11 K(o=1.1,f=-6.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0447) USER MOD Single : A 97 ASN : amide:sc= 0.29 K(o=0.29,f=-1.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.225 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -175:sc= -0.0805 (180deg=-0.135) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 111 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.52) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -57:sc= 1.11 USER MOD Single : A 124 MET CE :methyl 180:sc=-0.00881 (180deg=-0.00881) USER MOD Single : A 135 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.8!) USER MOD Single : A 137 ASN : amide:sc= 0.0808 K(o=0.081,f=-2.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.613 17.560 1.123 1.00 0.00 N ATOM 59 CA THR A 5 -14.484 18.467 0.441 1.00 0.00 C ATOM 60 C THR A 5 -15.724 17.832 -0.089 1.00 0.00 C ATOM 61 O THR A 5 -15.760 16.623 -0.310 1.00 0.00 O ATOM 62 CB THR A 5 -13.811 19.158 -0.707 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.207 18.263 -1.629 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.701 20.038 -0.107 1.00 0.00 C ATOM 0 HA THR A 5 -14.755 19.186 1.214 1.00 0.00 H new ATOM 0 HB THR A 5 -14.567 19.720 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.020 17.411 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.180 20.563 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.142 20.764 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.993 19.411 0.436 1.00 0.00 H new ATOM 72 N GLU A 6 -16.784 18.642 -0.258 1.00 0.00 N ATOM 73 CA GLU A 6 -18.025 18.086 -0.701 1.00 0.00 C ATOM 74 C GLU A 6 -18.025 17.592 -2.106 1.00 0.00 C ATOM 75 O GLU A 6 -18.695 16.623 -2.460 1.00 0.00 O ATOM 76 CB GLU A 6 -19.043 19.237 -0.639 1.00 0.00 C ATOM 77 CG GLU A 6 -20.502 19.093 -1.079 1.00 0.00 C ATOM 78 CD GLU A 6 -21.153 17.956 -0.305 1.00 0.00 C ATOM 79 OE1 GLU A 6 -21.052 17.903 0.950 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.880 17.153 -0.948 1.00 0.00 O ATOM 0 H GLU A 6 -16.786 19.649 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.245 17.226 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.066 19.572 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.623 20.052 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.041 20.024 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.553 18.895 -2.150 1.00 0.00 H new ATOM 87 N GLU A 7 -17.170 18.141 -2.988 1.00 0.00 N ATOM 88 CA GLU A 7 -16.863 17.609 -4.280 1.00 0.00 C ATOM 89 C GLU A 7 -16.285 16.236 -4.251 1.00 0.00 C ATOM 90 O GLU A 7 -16.808 15.398 -4.985 1.00 0.00 O ATOM 91 CB GLU A 7 -15.864 18.482 -5.058 1.00 0.00 C ATOM 92 CG GLU A 7 -15.096 17.924 -6.257 1.00 0.00 C ATOM 93 CD GLU A 7 -14.025 18.856 -6.806 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.315 20.010 -7.222 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.817 18.527 -6.658 1.00 0.00 O ATOM 0 H GLU A 7 -16.665 19.004 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.835 17.588 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.411 19.357 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.123 18.835 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.628 16.983 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.805 17.696 -7.053 1.00 0.00 H new ATOM 102 N GLN A 8 -15.297 15.906 -3.401 1.00 0.00 N ATOM 103 CA GLN A 8 -14.814 14.584 -3.146 1.00 0.00 C ATOM 104 C GLN A 8 -15.783 13.658 -2.495 1.00 0.00 C ATOM 105 O GLN A 8 -15.805 12.506 -2.925 1.00 0.00 O ATOM 106 CB GLN A 8 -13.468 14.566 -2.403 1.00 0.00 C ATOM 107 CG GLN A 8 -12.341 15.193 -3.227 1.00 0.00 C ATOM 108 CD GLN A 8 -11.021 15.241 -2.471 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.347 14.272 -2.125 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.666 16.529 -2.215 1.00 0.00 N ATOM 0 H GLN A 8 -14.802 16.611 -2.855 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.662 14.190 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.569 15.104 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.206 13.537 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.208 14.624 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.627 16.204 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.264 17.294 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.802 16.729 -1.712 1.00 0.00 H new ATOM 119 N ILE A 9 -16.567 14.133 -1.510 1.00 0.00 N ATOM 120 CA ILE A 9 -17.542 13.268 -0.923 1.00 0.00 C ATOM 121 C ILE A 9 -18.572 12.946 -1.951 1.00 0.00 C ATOM 122 O ILE A 9 -18.976 11.787 -2.031 1.00 0.00 O ATOM 123 CB ILE A 9 -18.245 13.731 0.319 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.092 13.905 1.322 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.342 12.745 0.755 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.653 14.199 2.712 1.00 0.00 C ATOM 0 H ILE A 9 -16.530 15.079 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.956 12.412 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.805 14.659 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.483 13.002 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.441 14.719 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.827 13.116 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.081 12.648 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.896 11.771 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.831 14.321 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.243 15.115 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.286 13.371 3.032 1.00 0.00 H new ATOM 138 N ALA A 10 -18.925 13.775 -2.950 1.00 0.00 N ATOM 139 CA ALA A 10 -19.918 13.442 -3.924 1.00 0.00 C ATOM 140 C ALA A 10 -19.381 12.444 -4.891 1.00 0.00 C ATOM 141 O ALA A 10 -20.094 11.640 -5.490 1.00 0.00 O ATOM 142 CB ALA A 10 -20.532 14.679 -4.602 1.00 0.00 C ATOM 0 H ALA A 10 -18.511 14.698 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.753 12.974 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.278 14.362 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.005 15.309 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.748 15.243 -5.108 1.00 0.00 H new ATOM 148 N GLU A 11 -18.066 12.493 -5.167 1.00 0.00 N ATOM 149 CA GLU A 11 -17.396 11.587 -6.049 1.00 0.00 C ATOM 150 C GLU A 11 -17.327 10.252 -5.391 1.00 0.00 C ATOM 151 O GLU A 11 -17.536 9.181 -5.959 1.00 0.00 O ATOM 152 CB GLU A 11 -16.061 12.136 -6.578 1.00 0.00 C ATOM 153 CG GLU A 11 -16.310 13.216 -7.633 1.00 0.00 C ATOM 154 CD GLU A 11 -16.790 12.786 -9.012 1.00 0.00 C ATOM 155 OE1 GLU A 11 -16.256 11.817 -9.615 1.00 0.00 O ATOM 156 OE2 GLU A 11 -17.706 13.437 -9.582 1.00 0.00 O ATOM 0 H GLU A 11 -17.444 13.191 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.970 11.466 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.479 12.550 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.472 11.326 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.045 13.912 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.382 13.772 -7.763 1.00 0.00 H new ATOM 163 N PHE A 12 -16.981 10.185 -4.093 1.00 0.00 N ATOM 164 CA PHE A 12 -16.882 9.006 -3.291 1.00 0.00 C ATOM 165 C PHE A 12 -18.237 8.388 -3.239 1.00 0.00 C ATOM 166 O PHE A 12 -18.364 7.166 -3.176 1.00 0.00 O ATOM 167 CB PHE A 12 -16.403 9.335 -1.867 1.00 0.00 C ATOM 168 CG PHE A 12 -14.913 9.336 -1.872 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.190 8.267 -2.346 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.233 10.392 -1.314 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.830 8.213 -2.155 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.867 10.345 -1.158 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.149 9.237 -1.540 1.00 0.00 C ATOM 0 H PHE A 12 -16.752 11.026 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.153 8.324 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.784 10.306 -1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.781 8.599 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.692 7.467 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.777 11.268 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.284 7.346 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.351 11.191 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.086 9.173 -1.363 1.00 0.00 H new ATOM 183 N LYS A 13 -19.277 9.236 -3.319 1.00 0.00 N ATOM 184 CA LYS A 13 -20.637 8.812 -3.194 1.00 0.00 C ATOM 185 C LYS A 13 -21.174 8.228 -4.455 1.00 0.00 C ATOM 186 O LYS A 13 -21.663 7.103 -4.539 1.00 0.00 O ATOM 187 CB LYS A 13 -21.529 9.886 -2.547 1.00 0.00 C ATOM 188 CG LYS A 13 -22.703 9.114 -1.942 1.00 0.00 C ATOM 189 CD LYS A 13 -23.677 9.889 -1.052 1.00 0.00 C ATOM 190 CE LYS A 13 -24.280 11.084 -1.792 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.617 11.473 -1.291 1.00 0.00 N ATOM 0 H LYS A 13 -19.171 10.239 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.652 7.982 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.986 10.442 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.872 10.611 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.273 8.674 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.297 8.289 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.475 9.225 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.158 10.237 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.605 11.935 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.353 10.845 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.968 12.287 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -26.274 10.675 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.550 11.731 -0.286 1.00 0.00 H new ATOM 205 N GLU A 14 -20.869 8.897 -5.582 1.00 0.00 N ATOM 206 CA GLU A 14 -21.021 8.308 -6.876 1.00 0.00 C ATOM 207 C GLU A 14 -20.180 7.111 -7.160 1.00 0.00 C ATOM 208 O GLU A 14 -20.598 6.233 -7.914 1.00 0.00 O ATOM 209 CB GLU A 14 -20.881 9.325 -8.021 1.00 0.00 C ATOM 210 CG GLU A 14 -22.031 10.333 -8.069 1.00 0.00 C ATOM 211 CD GLU A 14 -22.078 11.180 -9.333 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.377 10.570 -10.394 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.838 12.416 -9.349 1.00 0.00 O ATOM 0 H GLU A 14 -20.514 9.853 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.048 7.944 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.939 9.862 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.833 8.791 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.974 9.794 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.953 10.995 -7.206 1.00 0.00 H new ATOM 220 N ALA A 15 -18.933 7.006 -6.667 1.00 0.00 N ATOM 221 CA ALA A 15 -18.118 5.841 -6.820 1.00 0.00 C ATOM 222 C ALA A 15 -18.584 4.700 -5.982 1.00 0.00 C ATOM 223 O ALA A 15 -18.409 3.524 -6.295 1.00 0.00 O ATOM 224 CB ALA A 15 -16.706 6.262 -6.378 1.00 0.00 C ATOM 0 H ALA A 15 -18.478 7.755 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.156 5.493 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.028 5.414 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.355 7.078 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.733 6.593 -5.340 1.00 0.00 H new ATOM 230 N PHE A 16 -19.247 4.983 -4.847 1.00 0.00 N ATOM 231 CA PHE A 16 -19.817 3.944 -4.046 1.00 0.00 C ATOM 232 C PHE A 16 -20.982 3.250 -4.663 1.00 0.00 C ATOM 233 O PHE A 16 -21.094 2.027 -4.734 1.00 0.00 O ATOM 234 CB PHE A 16 -20.217 4.551 -2.691 1.00 0.00 C ATOM 235 CG PHE A 16 -20.816 3.618 -1.696 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.159 3.328 -1.737 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.042 2.933 -0.788 1.00 0.00 C ATOM 238 CE1 PHE A 16 -22.729 2.439 -0.856 1.00 0.00 C ATOM 239 CE2 PHE A 16 -20.641 2.203 0.211 1.00 0.00 C ATOM 240 CZ PHE A 16 -21.964 1.840 0.117 1.00 0.00 C ATOM 0 H PHE A 16 -19.388 5.926 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.057 3.170 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.331 5.003 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -20.928 5.357 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.781 3.809 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -18.965 2.969 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.782 2.210 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.067 1.912 1.078 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.389 1.107 0.787 1.00 0.00 H new ATOM 250 N SER A 17 -21.926 4.034 -5.215 1.00 0.00 N ATOM 251 CA SER A 17 -22.978 3.578 -6.069 1.00 0.00 C ATOM 252 C SER A 17 -22.592 2.768 -7.259 1.00 0.00 C ATOM 253 O SER A 17 -23.462 2.113 -7.831 1.00 0.00 O ATOM 254 CB SER A 17 -23.765 4.816 -6.531 1.00 0.00 C ATOM 255 OG SER A 17 -24.353 5.603 -5.506 1.00 0.00 O ATOM 0 H SER A 17 -21.956 5.041 -5.056 1.00 0.00 H new ATOM 0 HA SER A 17 -23.559 2.880 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.095 5.452 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.555 4.488 -7.207 1.00 0.00 H new ATOM 0 HG SER A 17 -23.662 6.149 -5.076 1.00 0.00 H new ATOM 261 N LEU A 18 -21.341 2.714 -7.750 1.00 0.00 N ATOM 262 CA LEU A 18 -20.817 1.773 -8.691 1.00 0.00 C ATOM 263 C LEU A 18 -20.652 0.421 -8.087 1.00 0.00 C ATOM 264 O LEU A 18 -20.546 -0.562 -8.819 1.00 0.00 O ATOM 265 CB LEU A 18 -19.453 2.176 -9.277 1.00 0.00 C ATOM 266 CG LEU A 18 -19.409 3.470 -10.107 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.980 3.798 -10.573 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.282 3.389 -11.371 1.00 0.00 C ATOM 0 H LEU A 18 -20.634 3.391 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.557 1.758 -9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.746 2.277 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.098 1.358 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.788 4.245 -9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.990 4.719 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.334 3.926 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.602 2.982 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.215 4.328 -11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.932 2.573 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.319 3.208 -11.086 1.00 0.00 H new ATOM 280 N PHE A 19 -20.506 0.347 -6.752 1.00 0.00 N ATOM 281 CA PHE A 19 -20.231 -0.877 -6.065 1.00 0.00 C ATOM 282 C PHE A 19 -21.468 -1.532 -5.554 1.00 0.00 C ATOM 283 O PHE A 19 -21.671 -2.743 -5.621 1.00 0.00 O ATOM 284 CB PHE A 19 -19.336 -0.767 -4.820 1.00 0.00 C ATOM 285 CG PHE A 19 -18.046 -0.089 -5.132 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.346 -0.438 -6.263 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.563 0.990 -4.429 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.246 0.271 -6.683 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.414 1.644 -4.809 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.763 1.352 -5.984 1.00 0.00 C ATOM 0 H PHE A 19 -20.581 1.156 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.721 -1.442 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.860 -0.213 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.138 -1.763 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.670 -1.293 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.099 1.333 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.745 -0.031 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.011 2.411 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.925 1.935 -6.336 1.00 0.00 H new ATOM 300 N ASP A 20 -22.312 -0.697 -4.921 1.00 0.00 N ATOM 301 CA ASP A 20 -23.605 -1.034 -4.412 1.00 0.00 C ATOM 302 C ASP A 20 -24.549 -1.311 -5.531 1.00 0.00 C ATOM 303 O ASP A 20 -24.915 -0.440 -6.318 1.00 0.00 O ATOM 304 CB ASP A 20 -24.034 0.181 -3.572 1.00 0.00 C ATOM 305 CG ASP A 20 -25.273 -0.058 -2.722 1.00 0.00 C ATOM 306 OD1 ASP A 20 -25.914 -1.137 -2.833 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.685 0.824 -1.921 1.00 0.00 O ATOM 0 H ASP A 20 -22.073 0.280 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.596 -1.940 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.209 0.468 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.221 1.023 -4.239 1.00 0.00 H new ATOM 312 N LYS A 21 -25.041 -2.541 -5.763 1.00 0.00 N ATOM 313 CA LYS A 21 -25.768 -2.937 -6.929 1.00 0.00 C ATOM 314 C LYS A 21 -27.196 -2.598 -6.673 1.00 0.00 C ATOM 315 O LYS A 21 -27.880 -1.924 -7.442 1.00 0.00 O ATOM 316 CB LYS A 21 -25.480 -4.399 -7.309 1.00 0.00 C ATOM 317 CG LYS A 21 -26.325 -5.015 -8.426 1.00 0.00 C ATOM 318 CD LYS A 21 -25.636 -6.011 -9.361 1.00 0.00 C ATOM 319 CE LYS A 21 -26.535 -6.487 -10.503 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.844 -7.465 -11.373 1.00 0.00 N ATOM 0 H LYS A 21 -24.924 -3.304 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.451 -2.399 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.432 -4.471 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.605 -5.010 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.176 -5.517 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.724 -4.203 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.742 -5.548 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.307 -6.874 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.437 -6.940 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.851 -5.630 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.485 -7.765 -12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.997 -7.025 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.564 -8.294 -10.810 1.00 0.00 H new ATOM 334 N ASP A 22 -27.739 -3.103 -5.551 1.00 0.00 N ATOM 335 CA ASP A 22 -29.080 -2.869 -5.113 1.00 0.00 C ATOM 336 C ASP A 22 -29.477 -1.504 -4.668 1.00 0.00 C ATOM 337 O ASP A 22 -30.639 -1.101 -4.639 1.00 0.00 O ATOM 338 CB ASP A 22 -29.613 -3.898 -4.100 1.00 0.00 C ATOM 339 CG ASP A 22 -28.699 -4.209 -2.924 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.120 -3.237 -2.371 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.598 -5.382 -2.475 1.00 0.00 O ATOM 0 H ASP A 22 -27.215 -3.706 -4.917 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.564 -2.994 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.564 -3.536 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.819 -4.828 -4.630 1.00 0.00 H new ATOM 346 N GLY A 23 -28.429 -0.753 -4.286 1.00 0.00 N ATOM 347 CA GLY A 23 -28.709 0.598 -3.910 1.00 0.00 C ATOM 348 C GLY A 23 -29.315 0.725 -2.555 1.00 0.00 C ATOM 349 O GLY A 23 -30.134 1.637 -2.457 1.00 0.00 O ATOM 0 H GLY A 23 -27.455 -1.051 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.784 1.174 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.384 1.038 -4.644 1.00 0.00 H new ATOM 353 N ASP A 24 -29.011 -0.091 -1.530 1.00 0.00 N ATOM 354 CA ASP A 24 -29.484 0.042 -0.187 1.00 0.00 C ATOM 355 C ASP A 24 -28.801 1.128 0.571 1.00 0.00 C ATOM 356 O ASP A 24 -29.318 1.640 1.562 1.00 0.00 O ATOM 357 CB ASP A 24 -29.458 -1.328 0.513 1.00 0.00 C ATOM 358 CG ASP A 24 -28.117 -1.885 0.970 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.052 -1.735 0.314 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.063 -2.417 2.111 1.00 0.00 O ATOM 0 H ASP A 24 -28.395 -0.895 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.523 0.370 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.106 -1.266 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -29.905 -2.055 -0.165 1.00 0.00 H new ATOM 365 N GLY A 25 -27.548 1.401 0.167 1.00 0.00 N ATOM 366 CA GLY A 25 -26.635 2.211 0.913 1.00 0.00 C ATOM 367 C GLY A 25 -25.423 1.475 1.370 1.00 0.00 C ATOM 368 O GLY A 25 -24.578 2.160 1.943 1.00 0.00 O ATOM 0 H GLY A 25 -27.157 1.047 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.326 3.057 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.151 2.620 1.782 1.00 0.00 H new ATOM 372 N THR A 26 -25.277 0.142 1.269 1.00 0.00 N ATOM 373 CA THR A 26 -24.252 -0.615 1.918 1.00 0.00 C ATOM 374 C THR A 26 -23.537 -1.514 0.967 1.00 0.00 C ATOM 375 O THR A 26 -24.150 -1.943 -0.009 1.00 0.00 O ATOM 376 CB THR A 26 -24.674 -1.445 3.093 1.00 0.00 C ATOM 377 OG1 THR A 26 -25.404 -2.626 2.793 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.624 -0.658 4.011 1.00 0.00 C ATOM 0 H THR A 26 -25.904 -0.435 0.708 1.00 0.00 H new ATOM 0 HA THR A 26 -23.602 0.171 2.304 1.00 0.00 H new ATOM 0 HB THR A 26 -23.716 -1.709 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.347 -2.400 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.915 -1.283 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.118 0.235 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.513 -0.368 3.451 1.00 0.00 H new ATOM 386 N ILE A 27 -22.250 -1.843 1.173 1.00 0.00 N ATOM 387 CA ILE A 27 -21.586 -2.859 0.417 1.00 0.00 C ATOM 388 C ILE A 27 -21.743 -4.152 1.140 1.00 0.00 C ATOM 389 O ILE A 27 -21.396 -4.341 2.305 1.00 0.00 O ATOM 390 CB ILE A 27 -20.154 -2.531 0.113 1.00 0.00 C ATOM 391 CG1 ILE A 27 -19.844 -1.050 -0.159 1.00 0.00 C ATOM 392 CG2 ILE A 27 -19.786 -3.360 -1.130 1.00 0.00 C ATOM 393 CD1 ILE A 27 -18.601 -0.860 -1.028 1.00 0.00 C ATOM 0 H ILE A 27 -21.660 -1.397 1.876 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.052 -2.933 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.570 -2.765 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.700 -0.588 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -19.702 -0.532 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -18.749 -3.165 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.909 -4.420 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -20.438 -3.083 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.429 0.204 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -17.737 -1.296 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.750 -1.352 -1.989 1.00 0.00 H new ATOM 405 N THR A 28 -22.243 -5.175 0.424 1.00 0.00 N ATOM 406 CA THR A 28 -22.246 -6.539 0.854 1.00 0.00 C ATOM 407 C THR A 28 -21.142 -7.334 0.246 1.00 0.00 C ATOM 408 O THR A 28 -20.225 -6.868 -0.427 1.00 0.00 O ATOM 409 CB THR A 28 -23.534 -7.226 0.510 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.963 -6.992 -0.824 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.563 -6.652 1.498 1.00 0.00 C ATOM 0 H THR A 28 -22.664 -5.045 -0.496 1.00 0.00 H new ATOM 0 HA THR A 28 -22.113 -6.495 1.935 1.00 0.00 H new ATOM 0 HB THR A 28 -23.412 -8.307 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.090 -6.030 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.537 -7.105 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.249 -6.871 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.633 -5.573 1.364 1.00 0.00 H new ATOM 419 N THR A 29 -21.118 -8.662 0.457 1.00 0.00 N ATOM 420 CA THR A 29 -20.092 -9.550 0.006 1.00 0.00 C ATOM 421 C THR A 29 -19.960 -9.555 -1.478 1.00 0.00 C ATOM 422 O THR A 29 -18.867 -9.354 -2.007 1.00 0.00 O ATOM 423 CB THR A 29 -20.251 -10.983 0.420 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.526 -11.555 0.169 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.914 -11.268 1.893 1.00 0.00 C ATOM 0 H THR A 29 -21.856 -9.142 0.971 1.00 0.00 H new ATOM 0 HA THR A 29 -19.206 -9.143 0.494 1.00 0.00 H new ATOM 0 HB THR A 29 -19.514 -11.455 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.413 -12.449 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.058 -12.328 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.876 -10.998 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.569 -10.680 2.536 1.00 0.00 H new ATOM 433 N LYS A 30 -21.018 -9.828 -2.262 1.00 0.00 N ATOM 434 CA LYS A 30 -20.884 -9.970 -3.679 1.00 0.00 C ATOM 435 C LYS A 30 -20.635 -8.670 -4.365 1.00 0.00 C ATOM 436 O LYS A 30 -20.024 -8.647 -5.432 1.00 0.00 O ATOM 437 CB LYS A 30 -22.219 -10.532 -4.196 1.00 0.00 C ATOM 438 CG LYS A 30 -22.548 -11.907 -3.613 1.00 0.00 C ATOM 439 CD LYS A 30 -23.834 -12.535 -4.155 1.00 0.00 C ATOM 440 CE LYS A 30 -24.051 -14.024 -3.878 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.111 -14.145 -2.404 1.00 0.00 N ATOM 0 H LYS A 30 -21.969 -9.951 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.033 -10.619 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.021 -9.836 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.182 -10.603 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.716 -12.582 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.631 -11.818 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.680 -11.987 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.855 -12.385 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.973 -14.379 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.238 -14.623 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.326 -15.129 -2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.194 -13.872 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.855 -13.519 -2.034 1.00 0.00 H new ATOM 455 N GLU A 31 -21.012 -7.516 -3.786 1.00 0.00 N ATOM 456 CA GLU A 31 -20.707 -6.148 -4.070 1.00 0.00 C ATOM 457 C GLU A 31 -19.278 -5.772 -3.884 1.00 0.00 C ATOM 458 O GLU A 31 -18.715 -4.996 -4.654 1.00 0.00 O ATOM 459 CB GLU A 31 -21.699 -5.248 -3.313 1.00 0.00 C ATOM 460 CG GLU A 31 -23.177 -5.213 -3.705 1.00 0.00 C ATOM 461 CD GLU A 31 -24.116 -4.420 -2.807 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.004 -4.362 -1.553 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.172 -4.028 -3.371 1.00 0.00 O ATOM 0 H GLU A 31 -21.638 -7.560 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.840 -5.992 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.653 -5.533 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.324 -4.227 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.250 -4.806 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.539 -6.240 -3.749 1.00 0.00 H new ATOM 470 N LEU A 32 -18.685 -6.277 -2.787 1.00 0.00 N ATOM 471 CA LEU A 32 -17.285 -6.128 -2.534 1.00 0.00 C ATOM 472 C LEU A 32 -16.563 -7.066 -3.440 1.00 0.00 C ATOM 473 O LEU A 32 -15.465 -6.743 -3.891 1.00 0.00 O ATOM 474 CB LEU A 32 -16.747 -6.540 -1.153 1.00 0.00 C ATOM 475 CG LEU A 32 -16.534 -5.323 -0.237 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.088 -5.751 1.171 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.439 -4.391 -0.784 1.00 0.00 C ATOM 0 H LEU A 32 -19.184 -6.796 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.130 -5.056 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.446 -7.231 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.804 -7.073 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.494 -4.807 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.947 -4.867 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.851 -6.389 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.149 -6.301 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.315 -3.542 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.499 -4.937 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.727 -4.033 -1.772 1.00 0.00 H new ATOM 489 N GLY A 33 -17.065 -8.276 -3.745 1.00 0.00 N ATOM 490 CA GLY A 33 -16.576 -9.141 -4.773 1.00 0.00 C ATOM 491 C GLY A 33 -16.570 -8.613 -6.167 1.00 0.00 C ATOM 492 O GLY A 33 -15.696 -8.968 -6.957 1.00 0.00 O ATOM 0 H GLY A 33 -17.859 -8.673 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.556 -9.426 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.175 -10.052 -4.760 1.00 0.00 H new ATOM 496 N THR A 34 -17.429 -7.629 -6.489 1.00 0.00 N ATOM 497 CA THR A 34 -17.289 -6.789 -7.638 1.00 0.00 C ATOM 498 C THR A 34 -16.005 -6.033 -7.668 1.00 0.00 C ATOM 499 O THR A 34 -15.436 -5.905 -8.750 1.00 0.00 O ATOM 500 CB THR A 34 -18.487 -5.935 -7.927 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.743 -6.581 -7.775 1.00 0.00 O ATOM 502 CG2 THR A 34 -18.416 -5.397 -9.366 1.00 0.00 C ATOM 0 H THR A 34 -18.252 -7.410 -5.928 1.00 0.00 H new ATOM 0 HA THR A 34 -17.239 -7.484 -8.476 1.00 0.00 H new ATOM 0 HB THR A 34 -18.441 -5.143 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.463 -5.949 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.290 -4.778 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.513 -4.799 -9.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.395 -6.232 -10.066 1.00 0.00 H new ATOM 510 N VAL A 35 -15.556 -5.448 -6.543 1.00 0.00 N ATOM 511 CA VAL A 35 -14.427 -4.570 -6.506 1.00 0.00 C ATOM 512 C VAL A 35 -13.219 -5.434 -6.617 1.00 0.00 C ATOM 513 O VAL A 35 -12.328 -5.128 -7.408 1.00 0.00 O ATOM 514 CB VAL A 35 -14.269 -3.802 -5.227 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.197 -2.712 -5.387 1.00 0.00 C ATOM 516 CG2 VAL A 35 -15.591 -3.130 -4.821 1.00 0.00 C ATOM 0 H VAL A 35 -15.991 -5.590 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.563 -3.844 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.970 -4.510 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.094 -2.163 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.244 -3.174 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.492 -2.025 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.449 -2.580 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -15.905 -2.441 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.358 -3.892 -4.679 1.00 0.00 H new ATOM 526 N MET A 36 -13.257 -6.587 -5.924 1.00 0.00 N ATOM 527 CA MET A 36 -12.333 -7.676 -5.992 1.00 0.00 C ATOM 528 C MET A 36 -12.107 -8.145 -7.389 1.00 0.00 C ATOM 529 O MET A 36 -10.946 -8.351 -7.738 1.00 0.00 O ATOM 530 CB MET A 36 -12.740 -8.858 -5.097 1.00 0.00 C ATOM 531 CG MET A 36 -12.648 -8.682 -3.580 1.00 0.00 C ATOM 532 SD MET A 36 -11.035 -8.028 -3.054 1.00 0.00 S ATOM 533 CE MET A 36 -11.345 -7.952 -1.266 1.00 0.00 C ATOM 0 H MET A 36 -14.005 -6.771 -5.255 1.00 0.00 H new ATOM 0 HA MET A 36 -11.393 -7.278 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.770 -9.120 -5.340 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.121 -9.712 -5.371 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.437 -8.007 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.824 -9.642 -3.094 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.459 -7.570 -0.759 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.189 -7.290 -1.071 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.573 -8.951 -0.894 1.00 0.00 H new ATOM 543 N ARG A 37 -13.147 -8.295 -8.228 1.00 0.00 N ATOM 544 CA ARG A 37 -13.015 -8.735 -9.583 1.00 0.00 C ATOM 545 C ARG A 37 -12.298 -7.790 -10.484 1.00 0.00 C ATOM 546 O ARG A 37 -11.653 -8.243 -11.428 1.00 0.00 O ATOM 547 CB ARG A 37 -14.357 -9.223 -10.152 1.00 0.00 C ATOM 548 CG ARG A 37 -14.352 -10.211 -11.321 1.00 0.00 C ATOM 549 CD ARG A 37 -15.574 -11.099 -11.562 1.00 0.00 C ATOM 550 NE ARG A 37 -15.961 -11.855 -10.337 1.00 0.00 N ATOM 551 CZ ARG A 37 -17.032 -11.561 -9.545 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.744 -10.399 -9.621 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.400 -12.486 -8.611 1.00 0.00 N ATOM 0 H ARG A 37 -14.111 -8.104 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.348 -9.596 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.913 -9.683 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.920 -8.344 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.180 -9.638 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.492 -10.868 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.412 -10.483 -11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.360 -11.800 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.382 -12.651 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.484 -9.685 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.536 -10.244 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.879 -13.359 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.196 -12.304 -7.999 1.00 0.00 H new ATOM 567 N SER A 38 -12.400 -6.469 -10.252 1.00 0.00 N ATOM 568 CA SER A 38 -11.736 -5.410 -10.946 1.00 0.00 C ATOM 569 C SER A 38 -10.304 -5.378 -10.534 1.00 0.00 C ATOM 570 O SER A 38 -9.476 -4.914 -11.315 1.00 0.00 O ATOM 571 CB SER A 38 -12.420 -4.035 -10.862 1.00 0.00 C ATOM 572 OG SER A 38 -13.725 -4.213 -11.394 1.00 0.00 O ATOM 0 H SER A 38 -13.003 -6.112 -9.511 1.00 0.00 H new ATOM 0 HA SER A 38 -11.803 -5.638 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.464 -3.683 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.866 -3.288 -11.430 1.00 0.00 H new ATOM 0 HG SER A 38 -14.210 -3.362 -11.363 1.00 0.00 H new ATOM 578 N LEU A 39 -9.965 -5.899 -9.341 1.00 0.00 N ATOM 579 CA LEU A 39 -8.589 -6.022 -8.973 1.00 0.00 C ATOM 580 C LEU A 39 -7.898 -7.211 -9.548 1.00 0.00 C ATOM 581 O LEU A 39 -6.705 -7.202 -9.846 1.00 0.00 O ATOM 582 CB LEU A 39 -8.443 -5.853 -7.451 1.00 0.00 C ATOM 583 CG LEU A 39 -8.915 -4.541 -6.801 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.230 -4.870 -5.332 1.00 0.00 C ATOM 585 CD2 LEU A 39 -7.957 -3.343 -6.911 1.00 0.00 C ATOM 0 H LEU A 39 -10.630 -6.230 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.041 -5.205 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.985 -6.670 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.389 -5.983 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.787 -4.195 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.571 -3.969 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.011 -5.629 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.331 -5.246 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.398 -2.478 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.009 -3.590 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.784 -3.111 -7.962 1.00 0.00 H new ATOM 597 N GLY A 40 -8.705 -8.255 -9.805 1.00 0.00 N ATOM 598 CA GLY A 40 -8.409 -9.523 -10.397 1.00 0.00 C ATOM 599 C GLY A 40 -8.284 -10.513 -9.290 1.00 0.00 C ATOM 600 O GLY A 40 -7.516 -11.469 -9.391 1.00 0.00 O ATOM 0 H GLY A 40 -9.695 -8.198 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.199 -9.818 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.485 -9.472 -10.972 1.00 0.00 H new ATOM 604 N GLN A 41 -8.941 -10.365 -8.126 1.00 0.00 N ATOM 605 CA GLN A 41 -8.766 -11.153 -6.946 1.00 0.00 C ATOM 606 C GLN A 41 -10.057 -11.827 -6.634 1.00 0.00 C ATOM 607 O GLN A 41 -11.118 -11.492 -7.159 1.00 0.00 O ATOM 608 CB GLN A 41 -8.437 -10.245 -5.749 1.00 0.00 C ATOM 609 CG GLN A 41 -7.189 -9.384 -5.952 1.00 0.00 C ATOM 610 CD GLN A 41 -5.879 -10.086 -6.281 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.286 -9.627 -7.256 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.549 -11.235 -5.632 1.00 0.00 N ATOM 0 H GLN A 41 -9.647 -9.640 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.961 -11.868 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.289 -9.593 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.300 -10.864 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.399 -8.677 -6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.036 -8.800 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.098 -11.543 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.753 -11.789 -5.948 1.00 0.00 H new ATOM 621 N ASN A 42 -10.001 -12.836 -5.746 1.00 0.00 N ATOM 622 CA ASN A 42 -11.140 -13.605 -5.354 1.00 0.00 C ATOM 623 C ASN A 42 -10.952 -14.299 -4.049 1.00 0.00 C ATOM 624 O ASN A 42 -10.870 -15.524 -3.976 1.00 0.00 O ATOM 625 CB ASN A 42 -11.461 -14.663 -6.424 1.00 0.00 C ATOM 626 CG ASN A 42 -12.881 -15.202 -6.335 1.00 0.00 C ATOM 627 OD1 ASN A 42 -13.720 -14.521 -5.749 1.00 0.00 O ATOM 628 ND2 ASN A 42 -13.162 -16.429 -6.849 1.00 0.00 N ATOM 0 H ASN A 42 -9.137 -13.125 -5.287 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.962 -12.897 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.307 -14.228 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.759 -15.491 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.100 -16.818 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.435 -16.960 -7.328 1.00 0.00 H new ATOM 635 N PRO A 43 -10.992 -13.627 -2.937 1.00 0.00 N ATOM 636 CA PRO A 43 -11.508 -14.275 -1.767 1.00 0.00 C ATOM 637 C PRO A 43 -12.867 -14.880 -1.864 1.00 0.00 C ATOM 638 O PRO A 43 -13.646 -14.601 -2.773 1.00 0.00 O ATOM 639 CB PRO A 43 -11.549 -13.123 -0.766 1.00 0.00 C ATOM 640 CG PRO A 43 -11.421 -11.787 -1.516 1.00 0.00 C ATOM 641 CD PRO A 43 -10.951 -12.173 -2.928 1.00 0.00 C ATOM 0 HA PRO A 43 -10.886 -15.136 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.483 -13.149 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.739 -13.226 -0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.373 -11.258 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.705 -11.126 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.603 -11.752 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.946 -11.802 -3.127 1.00 0.00 H new ATOM 649 N THR A 44 -13.244 -15.774 -0.933 1.00 0.00 N ATOM 650 CA THR A 44 -14.525 -16.394 -0.789 1.00 0.00 C ATOM 651 C THR A 44 -15.417 -15.438 -0.075 1.00 0.00 C ATOM 652 O THR A 44 -15.048 -14.415 0.499 1.00 0.00 O ATOM 653 CB THR A 44 -14.577 -17.743 -0.135 1.00 0.00 C ATOM 654 OG1 THR A 44 -13.960 -17.565 1.131 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.784 -18.774 -0.957 1.00 0.00 C ATOM 0 H THR A 44 -12.591 -16.091 -0.216 1.00 0.00 H new ATOM 0 HA THR A 44 -14.852 -16.613 -1.805 1.00 0.00 H new ATOM 0 HB THR A 44 -15.600 -18.111 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.021 -17.842 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.834 -19.746 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.212 -18.850 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.744 -18.458 -1.031 1.00 0.00 H new ATOM 663 N GLU A 45 -16.728 -15.728 -0.149 1.00 0.00 N ATOM 664 CA GLU A 45 -17.749 -14.953 0.486 1.00 0.00 C ATOM 665 C GLU A 45 -17.570 -14.910 1.964 1.00 0.00 C ATOM 666 O GLU A 45 -17.819 -13.896 2.614 1.00 0.00 O ATOM 667 CB GLU A 45 -19.167 -15.312 0.010 1.00 0.00 C ATOM 668 CG GLU A 45 -19.454 -14.627 -1.327 1.00 0.00 C ATOM 669 CD GLU A 45 -20.937 -14.752 -1.644 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.667 -13.844 -1.163 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.395 -15.694 -2.344 1.00 0.00 O ATOM 0 H GLU A 45 -17.090 -16.528 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.627 -13.921 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.262 -16.393 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.900 -15.000 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.167 -13.576 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.861 -15.085 -2.119 1.00 0.00 H new ATOM 678 N ALA A 46 -17.115 -16.039 2.538 1.00 0.00 N ATOM 679 CA ALA A 46 -16.985 -16.119 3.960 1.00 0.00 C ATOM 680 C ALA A 46 -15.806 -15.331 4.416 1.00 0.00 C ATOM 681 O ALA A 46 -16.015 -14.423 5.219 1.00 0.00 O ATOM 682 CB ALA A 46 -16.996 -17.573 4.463 1.00 0.00 C ATOM 0 H ALA A 46 -16.842 -16.880 2.030 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.863 -15.663 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.895 -17.583 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.936 -18.048 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.165 -18.119 4.016 1.00 0.00 H new ATOM 688 N GLU A 47 -14.659 -15.472 3.728 1.00 0.00 N ATOM 689 CA GLU A 47 -13.622 -14.490 3.798 1.00 0.00 C ATOM 690 C GLU A 47 -13.987 -13.047 3.731 1.00 0.00 C ATOM 691 O GLU A 47 -13.681 -12.195 4.564 1.00 0.00 O ATOM 692 CB GLU A 47 -12.639 -14.803 2.658 1.00 0.00 C ATOM 693 CG GLU A 47 -11.703 -15.981 2.935 1.00 0.00 C ATOM 694 CD GLU A 47 -10.927 -16.419 1.701 1.00 0.00 C ATOM 695 OE1 GLU A 47 -11.474 -17.293 0.977 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.738 -16.038 1.534 1.00 0.00 O ATOM 0 H GLU A 47 -14.450 -16.266 3.123 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.222 -14.584 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.207 -15.012 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.038 -13.916 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.001 -15.704 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.286 -16.822 3.310 1.00 0.00 H new ATOM 703 N LEU A 48 -14.708 -12.637 2.673 1.00 0.00 N ATOM 704 CA LEU A 48 -15.299 -11.343 2.524 1.00 0.00 C ATOM 705 C LEU A 48 -16.124 -10.887 3.678 1.00 0.00 C ATOM 706 O LEU A 48 -15.955 -9.764 4.149 1.00 0.00 O ATOM 707 CB LEU A 48 -16.171 -11.227 1.263 1.00 0.00 C ATOM 708 CG LEU A 48 -15.285 -10.806 0.078 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.867 -11.196 -1.292 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.845 -9.335 0.172 1.00 0.00 C ATOM 0 H LEU A 48 -14.889 -13.245 1.874 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.424 -10.696 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.655 -12.180 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.963 -10.495 1.419 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.370 -11.393 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.190 -10.868 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.986 -12.278 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.838 -10.718 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.222 -9.086 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.725 -8.692 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.276 -9.183 1.089 1.00 0.00 H new ATOM 722 N GLN A 49 -17.060 -11.740 4.132 1.00 0.00 N ATOM 723 CA GLN A 49 -17.824 -11.563 5.328 1.00 0.00 C ATOM 724 C GLN A 49 -16.962 -11.282 6.510 1.00 0.00 C ATOM 725 O GLN A 49 -17.267 -10.374 7.282 1.00 0.00 O ATOM 726 CB GLN A 49 -18.733 -12.787 5.534 1.00 0.00 C ATOM 727 CG GLN A 49 -19.939 -12.379 6.383 1.00 0.00 C ATOM 728 CD GLN A 49 -21.013 -13.456 6.363 1.00 0.00 C ATOM 729 OE1 GLN A 49 -21.690 -13.563 5.341 1.00 0.00 O ATOM 730 NE2 GLN A 49 -21.219 -14.326 7.388 1.00 0.00 N ATOM 0 H GLN A 49 -17.296 -12.600 3.637 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.454 -10.681 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.065 -13.175 4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -18.180 -13.587 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.620 -12.198 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.352 -11.443 6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.665 -14.249 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.927 -15.055 7.303 1.00 0.00 H new ATOM 739 N ASP A 50 -15.802 -11.947 6.658 1.00 0.00 N ATOM 740 CA ASP A 50 -14.912 -11.678 7.744 1.00 0.00 C ATOM 741 C ASP A 50 -14.336 -10.304 7.776 1.00 0.00 C ATOM 742 O ASP A 50 -14.133 -9.695 8.825 1.00 0.00 O ATOM 743 CB ASP A 50 -13.748 -12.682 7.801 1.00 0.00 C ATOM 744 CG ASP A 50 -13.220 -12.988 9.195 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.046 -13.325 10.085 1.00 0.00 O ATOM 746 OD2 ASP A 50 -11.976 -12.997 9.395 1.00 0.00 O ATOM 0 H ASP A 50 -15.479 -12.675 6.021 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.559 -11.779 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.072 -13.615 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.927 -12.296 7.196 1.00 0.00 H new ATOM 751 N MET A 51 -13.961 -9.851 6.566 1.00 0.00 N ATOM 752 CA MET A 51 -13.480 -8.562 6.179 1.00 0.00 C ATOM 753 C MET A 51 -14.453 -7.471 6.469 1.00 0.00 C ATOM 754 O MET A 51 -14.149 -6.387 6.964 1.00 0.00 O ATOM 755 CB MET A 51 -13.050 -8.516 4.703 1.00 0.00 C ATOM 756 CG MET A 51 -11.921 -9.495 4.374 1.00 0.00 C ATOM 757 SD MET A 51 -11.614 -9.264 2.597 1.00 0.00 S ATOM 758 CE MET A 51 -10.925 -10.928 2.363 1.00 0.00 C ATOM 0 H MET A 51 -14.003 -10.473 5.759 1.00 0.00 H new ATOM 0 HA MET A 51 -12.597 -8.388 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.911 -8.739 4.073 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.728 -7.504 4.456 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.028 -9.281 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.210 -10.522 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.218 -10.916 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.412 -11.241 3.273 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.731 -11.628 2.142 1.00 0.00 H new ATOM 768 N ILE A 52 -15.698 -7.671 6.003 1.00 0.00 N ATOM 769 CA ILE A 52 -16.829 -6.831 6.248 1.00 0.00 C ATOM 770 C ILE A 52 -16.977 -6.519 7.697 1.00 0.00 C ATOM 771 O ILE A 52 -17.027 -5.375 8.146 1.00 0.00 O ATOM 772 CB ILE A 52 -18.066 -7.467 5.686 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.110 -7.270 4.161 1.00 0.00 C ATOM 774 CG2 ILE A 52 -19.385 -6.941 6.274 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.956 -8.290 3.399 1.00 0.00 C ATOM 0 H ILE A 52 -15.929 -8.473 5.416 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.671 -5.879 5.741 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.993 -8.519 5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.495 -6.272 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.091 -7.307 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.223 -7.459 5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -19.401 -7.120 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.468 -5.871 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.923 -8.066 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.562 -9.291 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.987 -8.241 3.748 1.00 0.00 H new ATOM 787 N ASN A 53 -16.910 -7.633 8.448 1.00 0.00 N ATOM 788 CA ASN A 53 -17.062 -7.634 9.870 1.00 0.00 C ATOM 789 C ASN A 53 -16.030 -6.794 10.541 1.00 0.00 C ATOM 790 O ASN A 53 -16.274 -6.273 11.629 1.00 0.00 O ATOM 791 CB ASN A 53 -17.058 -9.083 10.385 1.00 0.00 C ATOM 792 CG ASN A 53 -17.931 -9.181 11.628 1.00 0.00 C ATOM 793 OD1 ASN A 53 -19.128 -8.899 11.659 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.263 -9.562 12.749 1.00 0.00 N ATOM 0 H ASN A 53 -16.745 -8.560 8.055 1.00 0.00 H new ATOM 0 HA ASN A 53 -18.022 -7.182 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -17.430 -9.756 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.040 -9.395 10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.754 -9.619 13.641 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.270 -9.791 12.698 1.00 0.00 H new ATOM 801 N GLU A 54 -14.837 -6.718 9.923 1.00 0.00 N ATOM 802 CA GLU A 54 -13.722 -6.016 10.477 1.00 0.00 C ATOM 803 C GLU A 54 -13.877 -4.534 10.474 1.00 0.00 C ATOM 804 O GLU A 54 -13.410 -3.784 11.330 1.00 0.00 O ATOM 805 CB GLU A 54 -12.490 -6.338 9.614 1.00 0.00 C ATOM 806 CG GLU A 54 -11.139 -6.027 10.262 1.00 0.00 C ATOM 807 CD GLU A 54 -10.788 -6.937 11.431 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.703 -8.167 11.175 1.00 0.00 O ATOM 809 OE2 GLU A 54 -10.557 -6.445 12.568 1.00 0.00 O ATOM 0 H GLU A 54 -14.644 -7.153 9.021 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.631 -6.337 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.515 -7.396 9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.564 -5.779 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.358 -6.107 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.143 -4.993 10.608 1.00 0.00 H new ATOM 816 N VAL A 55 -14.526 -4.045 9.402 1.00 0.00 N ATOM 817 CA VAL A 55 -14.662 -2.629 9.256 1.00 0.00 C ATOM 818 C VAL A 55 -15.965 -2.110 9.759 1.00 0.00 C ATOM 819 O VAL A 55 -16.253 -0.914 9.720 1.00 0.00 O ATOM 820 CB VAL A 55 -14.319 -2.191 7.863 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.818 -2.343 7.565 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.311 -2.746 6.827 1.00 0.00 C ATOM 0 H VAL A 55 -14.943 -4.607 8.660 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.926 -2.161 9.910 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.466 -1.114 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.614 -2.014 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.245 -1.734 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.530 -3.389 7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.026 -2.405 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.295 -3.836 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.315 -2.391 7.059 1.00 0.00 H new ATOM 832 N ASP A 56 -16.868 -3.040 10.114 1.00 0.00 N ATOM 833 CA ASP A 56 -18.066 -2.733 10.832 1.00 0.00 C ATOM 834 C ASP A 56 -17.867 -2.373 12.265 1.00 0.00 C ATOM 835 O ASP A 56 -17.585 -3.188 13.142 1.00 0.00 O ATOM 836 CB ASP A 56 -19.046 -3.898 10.611 1.00 0.00 C ATOM 837 CG ASP A 56 -20.458 -3.594 11.088 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.799 -2.391 11.251 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.246 -4.573 11.174 1.00 0.00 O ATOM 0 H ASP A 56 -16.763 -4.031 9.897 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.488 -1.810 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.073 -4.144 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.675 -4.780 11.133 1.00 0.00 H new ATOM 844 N ALA A 57 -18.090 -1.072 12.521 1.00 0.00 N ATOM 845 CA ALA A 57 -17.890 -0.456 13.796 1.00 0.00 C ATOM 846 C ALA A 57 -19.152 -0.315 14.574 1.00 0.00 C ATOM 847 O ALA A 57 -19.249 -0.196 15.795 1.00 0.00 O ATOM 848 CB ALA A 57 -17.319 0.962 13.621 1.00 0.00 C ATOM 0 H ALA A 57 -18.424 -0.422 11.810 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.203 -1.109 14.334 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.172 1.418 14.600 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.364 0.908 13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.016 1.566 13.040 1.00 0.00 H new ATOM 854 N ASP A 58 -20.286 -0.433 13.861 1.00 0.00 N ATOM 855 CA ASP A 58 -21.572 -0.202 14.444 1.00 0.00 C ATOM 856 C ASP A 58 -22.397 -1.430 14.620 1.00 0.00 C ATOM 857 O ASP A 58 -23.327 -1.542 15.418 1.00 0.00 O ATOM 858 CB ASP A 58 -22.144 0.941 13.590 1.00 0.00 C ATOM 859 CG ASP A 58 -22.441 0.481 12.170 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.293 -0.399 11.873 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.775 1.045 11.261 1.00 0.00 O ATOM 0 H ASP A 58 -20.312 -0.690 12.874 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.538 0.098 15.491 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.057 1.318 14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.435 1.768 13.565 1.00 0.00 H new ATOM 866 N GLY A 59 -22.042 -2.453 13.823 1.00 0.00 N ATOM 867 CA GLY A 59 -22.713 -3.714 13.887 1.00 0.00 C ATOM 868 C GLY A 59 -24.014 -4.022 13.227 1.00 0.00 C ATOM 869 O GLY A 59 -24.915 -4.585 13.846 1.00 0.00 O ATOM 0 H GLY A 59 -21.291 -2.407 13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.004 -4.451 13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.857 -3.924 14.947 1.00 0.00 H new ATOM 873 N ASN A 60 -24.152 -3.678 11.935 1.00 0.00 N ATOM 874 CA ASN A 60 -25.370 -3.867 11.209 1.00 0.00 C ATOM 875 C ASN A 60 -25.268 -5.063 10.326 1.00 0.00 C ATOM 876 O ASN A 60 -26.253 -5.689 9.937 1.00 0.00 O ATOM 877 CB ASN A 60 -25.870 -2.613 10.472 1.00 0.00 C ATOM 878 CG ASN A 60 -24.763 -1.979 9.642 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.594 -2.340 9.764 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.152 -0.956 8.834 1.00 0.00 N ATOM 0 H ASN A 60 -23.403 -3.260 11.383 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.149 -4.057 11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.706 -2.878 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.245 -1.889 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.458 -0.444 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.138 -0.701 8.773 1.00 0.00 H new ATOM 887 N GLY A 61 -24.037 -5.520 10.035 1.00 0.00 N ATOM 888 CA GLY A 61 -23.760 -6.726 9.318 1.00 0.00 C ATOM 889 C GLY A 61 -23.020 -6.468 8.051 1.00 0.00 C ATOM 890 O GLY A 61 -22.385 -7.382 7.527 1.00 0.00 O ATOM 0 H GLY A 61 -23.192 -5.022 10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -23.175 -7.396 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -24.696 -7.236 9.093 1.00 0.00 H new ATOM 894 N THR A 62 -23.253 -5.217 7.617 1.00 0.00 N ATOM 895 CA THR A 62 -22.739 -4.731 6.374 1.00 0.00 C ATOM 896 C THR A 62 -21.948 -3.482 6.559 1.00 0.00 C ATOM 897 O THR A 62 -21.720 -2.951 7.645 1.00 0.00 O ATOM 898 CB THR A 62 -23.818 -4.343 5.408 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.794 -3.459 5.938 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.610 -5.578 4.948 1.00 0.00 C ATOM 0 H THR A 62 -23.805 -4.533 8.135 1.00 0.00 H new ATOM 0 HA THR A 62 -22.140 -5.558 5.993 1.00 0.00 H new ATOM 0 HB THR A 62 -23.276 -3.850 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.540 -3.379 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.387 -5.272 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.936 -6.280 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.069 -6.059 5.812 1.00 0.00 H new ATOM 908 N ILE A 63 -21.336 -2.996 5.464 1.00 0.00 N ATOM 909 CA ILE A 63 -20.402 -1.914 5.514 1.00 0.00 C ATOM 910 C ILE A 63 -21.126 -0.772 4.888 1.00 0.00 C ATOM 911 O ILE A 63 -21.445 -0.710 3.702 1.00 0.00 O ATOM 912 CB ILE A 63 -19.058 -1.967 4.851 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.505 -3.402 4.838 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.129 -0.995 5.600 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.196 -3.596 4.075 1.00 0.00 C ATOM 0 H ILE A 63 -21.493 -3.362 4.525 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.118 -1.884 6.566 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.134 -1.665 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.356 -3.724 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.259 -4.059 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.140 -1.010 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.539 0.014 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.049 -1.299 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.895 -4.642 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.337 -3.312 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.420 -2.972 4.519 1.00 0.00 H new ATOM 927 N ASP A 64 -21.395 0.263 5.705 1.00 0.00 N ATOM 928 CA ASP A 64 -22.142 1.395 5.252 1.00 0.00 C ATOM 929 C ASP A 64 -21.339 2.550 4.761 1.00 0.00 C ATOM 930 O ASP A 64 -20.110 2.531 4.827 1.00 0.00 O ATOM 931 CB ASP A 64 -23.287 1.856 6.169 1.00 0.00 C ATOM 932 CG ASP A 64 -22.890 1.838 7.639 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.800 0.730 8.231 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.593 2.950 8.152 1.00 0.00 O ATOM 0 H ASP A 64 -21.095 0.316 6.679 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.620 0.967 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.591 2.865 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.152 1.210 6.020 1.00 0.00 H new ATOM 939 N PHE A 65 -21.851 3.578 4.062 1.00 0.00 N ATOM 940 CA PHE A 65 -20.999 4.545 3.443 1.00 0.00 C ATOM 941 C PHE A 65 -20.089 5.265 4.378 1.00 0.00 C ATOM 942 O PHE A 65 -18.947 5.396 3.941 1.00 0.00 O ATOM 943 CB PHE A 65 -21.833 5.450 2.521 1.00 0.00 C ATOM 944 CG PHE A 65 -21.078 6.511 1.797 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.314 6.148 0.713 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.205 7.843 2.115 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.617 7.103 0.010 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.436 8.792 1.485 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.651 8.415 0.421 1.00 0.00 C ATOM 0 H PHE A 65 -22.849 3.740 3.926 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.284 4.009 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.336 4.822 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.610 5.927 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.261 5.112 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.917 8.147 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.045 6.823 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.448 9.818 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.057 9.154 -0.096 1.00 0.00 H new ATOM 959 N PRO A 66 -20.399 5.841 5.501 1.00 0.00 N ATOM 960 CA PRO A 66 -19.532 6.739 6.208 1.00 0.00 C ATOM 961 C PRO A 66 -18.275 6.021 6.560 1.00 0.00 C ATOM 962 O PRO A 66 -17.163 6.524 6.401 1.00 0.00 O ATOM 963 CB PRO A 66 -20.330 7.103 7.458 1.00 0.00 C ATOM 964 CG PRO A 66 -21.813 7.055 7.059 1.00 0.00 C ATOM 965 CD PRO A 66 -21.732 5.871 6.082 1.00 0.00 C ATOM 0 HA PRO A 66 -19.244 7.622 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.123 6.403 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.057 8.095 7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.475 6.865 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.156 7.975 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.939 4.936 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.484 5.974 5.299 1.00 0.00 H new ATOM 973 N GLU A 67 -18.525 4.789 7.038 1.00 0.00 N ATOM 974 CA GLU A 67 -17.616 3.711 7.276 1.00 0.00 C ATOM 975 C GLU A 67 -16.742 3.270 6.152 1.00 0.00 C ATOM 976 O GLU A 67 -15.539 3.078 6.323 1.00 0.00 O ATOM 977 CB GLU A 67 -18.475 2.545 7.795 1.00 0.00 C ATOM 978 CG GLU A 67 -17.934 1.531 8.805 1.00 0.00 C ATOM 979 CD GLU A 67 -18.910 0.431 9.198 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.610 -0.070 8.278 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.274 0.299 10.397 1.00 0.00 O ATOM 0 H GLU A 67 -19.478 4.521 7.286 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.875 4.077 7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.369 2.985 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.798 1.978 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.038 1.070 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.630 2.065 9.705 1.00 0.00 H new ATOM 988 N PHE A 68 -17.304 3.192 4.933 1.00 0.00 N ATOM 989 CA PHE A 68 -16.624 2.840 3.725 1.00 0.00 C ATOM 990 C PHE A 68 -15.861 4.006 3.198 1.00 0.00 C ATOM 991 O PHE A 68 -14.803 3.735 2.632 1.00 0.00 O ATOM 992 CB PHE A 68 -17.584 2.345 2.630 1.00 0.00 C ATOM 993 CG PHE A 68 -16.835 1.758 1.484 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.253 0.511 1.495 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.587 2.533 0.376 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.546 0.017 0.425 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.922 2.038 -0.721 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.399 0.767 -0.719 1.00 0.00 C ATOM 0 H PHE A 68 -18.294 3.387 4.782 1.00 0.00 H new ATOM 0 HA PHE A 68 -15.947 2.025 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.261 1.599 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.199 3.174 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.356 -0.103 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.924 3.559 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.103 -0.966 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.809 2.658 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.890 0.371 -1.585 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.305 5.271 3.301 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.561 6.413 2.865 1.00 0.00 C ATOM 1010 C LEU A 69 -14.187 6.503 3.436 1.00 0.00 C ATOM 1011 O LEU A 69 -13.219 6.932 2.810 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.418 7.606 3.319 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.891 9.037 3.114 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -15.592 9.226 1.618 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.960 10.024 3.612 1.00 0.00 C ATOM 0 H LEU A 69 -17.213 5.508 3.701 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.391 6.371 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.377 7.534 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.616 7.480 4.383 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.974 9.217 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.216 10.235 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.842 8.501 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.506 9.076 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.604 11.045 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -17.880 9.881 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.155 9.847 4.670 1.00 0.00 H new ATOM 1027 N THR A 70 -14.060 5.997 4.676 1.00 0.00 N ATOM 1028 CA THR A 70 -12.777 5.883 5.296 1.00 0.00 C ATOM 1029 C THR A 70 -11.869 4.850 4.723 1.00 0.00 C ATOM 1030 O THR A 70 -10.700 5.061 4.404 1.00 0.00 O ATOM 1031 CB THR A 70 -12.918 5.746 6.783 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.982 6.598 7.184 1.00 0.00 O ATOM 1033 CG2 THR A 70 -11.622 6.026 7.562 1.00 0.00 C ATOM 0 H THR A 70 -14.840 5.669 5.246 1.00 0.00 H new ATOM 0 HA THR A 70 -12.269 6.820 5.066 1.00 0.00 H new ATOM 0 HB THR A 70 -13.142 4.707 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.105 6.533 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.806 5.906 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.849 5.325 7.246 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.291 7.045 7.363 1.00 0.00 H new ATOM 1041 N MET A 71 -12.473 3.709 4.347 1.00 0.00 N ATOM 1042 CA MET A 71 -11.837 2.617 3.678 1.00 0.00 C ATOM 1043 C MET A 71 -11.405 2.817 2.266 1.00 0.00 C ATOM 1044 O MET A 71 -10.406 2.342 1.727 1.00 0.00 O ATOM 1045 CB MET A 71 -12.716 1.357 3.740 1.00 0.00 C ATOM 1046 CG MET A 71 -12.153 0.154 2.980 1.00 0.00 C ATOM 1047 SD MET A 71 -13.165 -1.321 3.299 1.00 0.00 S ATOM 1048 CE MET A 71 -12.294 -2.297 2.038 1.00 0.00 C ATOM 0 H MET A 71 -13.464 3.539 4.520 1.00 0.00 H new ATOM 0 HA MET A 71 -10.908 2.517 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.856 1.078 4.784 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.701 1.596 3.339 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.134 0.367 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.123 -0.029 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.716 -3.301 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.407 -1.819 1.065 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.236 -2.357 2.292 1.00 0.00 H new ATOM 1058 N MET A 72 -12.235 3.633 1.593 1.00 0.00 N ATOM 1059 CA MET A 72 -11.983 4.104 0.266 1.00 0.00 C ATOM 1060 C MET A 72 -10.954 5.181 0.277 1.00 0.00 C ATOM 1061 O MET A 72 -10.057 5.143 -0.564 1.00 0.00 O ATOM 1062 CB MET A 72 -13.263 4.529 -0.473 1.00 0.00 C ATOM 1063 CG MET A 72 -13.092 4.519 -1.993 1.00 0.00 C ATOM 1064 SD MET A 72 -12.752 2.940 -2.827 1.00 0.00 S ATOM 1065 CE MET A 72 -12.694 3.411 -4.580 1.00 0.00 C ATOM 0 H MET A 72 -13.111 3.977 1.985 1.00 0.00 H new ATOM 0 HA MET A 72 -11.585 3.264 -0.304 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.077 3.859 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.550 5.529 -0.149 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.000 4.934 -2.430 1.00 0.00 H new ATOM 0 HG3 MET A 72 -12.279 5.203 -2.238 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.493 2.529 -5.187 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.651 3.842 -4.873 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.903 4.145 -4.734 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.040 6.201 1.149 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.072 7.233 1.362 1.00 0.00 C ATOM 1077 C ALA A 73 -8.698 6.841 1.783 1.00 0.00 C ATOM 1078 O ALA A 73 -7.702 7.341 1.263 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.637 8.184 2.430 1.00 0.00 C ATOM 0 H ALA A 73 -11.854 6.312 1.754 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.927 7.670 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.923 8.986 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.576 8.610 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.813 7.631 3.353 1.00 0.00 H new ATOM 1234 N GLU A 83 3.102 9.043 1.760 1.00 0.00 N ATOM 1235 CA GLU A 83 2.769 9.872 2.877 1.00 0.00 C ATOM 1236 C GLU A 83 2.012 9.088 3.893 1.00 0.00 C ATOM 1237 O GLU A 83 2.428 9.189 5.046 1.00 0.00 O ATOM 1238 CB GLU A 83 1.872 11.045 2.446 1.00 0.00 C ATOM 1239 CG GLU A 83 1.808 12.190 3.460 1.00 0.00 C ATOM 1240 CD GLU A 83 0.876 13.343 3.117 1.00 0.00 C ATOM 1241 OE1 GLU A 83 1.320 14.112 2.224 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -0.177 13.586 3.765 1.00 0.00 O ATOM 0 HA GLU A 83 3.705 10.246 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.235 11.436 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.863 10.672 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.503 11.778 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.814 12.590 3.589 1.00 0.00 H new ATOM 1249 N GLU A 84 1.013 8.254 3.552 1.00 0.00 N ATOM 1250 CA GLU A 84 0.256 7.615 4.584 1.00 0.00 C ATOM 1251 C GLU A 84 1.074 6.606 5.313 1.00 0.00 C ATOM 1252 O GLU A 84 0.690 6.248 6.425 1.00 0.00 O ATOM 1253 CB GLU A 84 -1.049 6.984 4.071 1.00 0.00 C ATOM 1254 CG GLU A 84 -2.015 8.091 3.646 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.420 8.890 4.877 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -2.886 8.282 5.877 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.273 10.141 4.885 1.00 0.00 O ATOM 0 H GLU A 84 0.736 8.027 2.597 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.027 8.404 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.841 6.325 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.501 6.371 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.542 8.743 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.896 7.661 3.169 1.00 0.00 H new ATOM 1264 N ILE A 85 2.148 6.057 4.718 1.00 0.00 N ATOM 1265 CA ILE A 85 2.871 5.005 5.364 1.00 0.00 C ATOM 1266 C ILE A 85 3.943 5.503 6.272 1.00 0.00 C ATOM 1267 O ILE A 85 4.324 5.057 7.354 1.00 0.00 O ATOM 1268 CB ILE A 85 3.367 4.043 4.326 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.476 4.534 3.380 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.148 3.504 3.558 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.666 3.650 2.149 1.00 0.00 C ATOM 0 H ILE A 85 2.511 6.335 3.806 1.00 0.00 H new ATOM 0 HA ILE A 85 2.193 4.472 6.030 1.00 0.00 H new ATOM 0 HB ILE A 85 3.886 3.255 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.243 5.548 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.416 4.583 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.481 2.800 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.476 2.997 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.622 4.332 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.464 4.057 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.930 2.640 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.739 3.620 1.576 1.00 0.00 H new ATOM 1283 N ARG A 86 4.372 6.740 5.964 1.00 0.00 N ATOM 1284 CA ARG A 86 5.253 7.409 6.869 1.00 0.00 C ATOM 1285 C ARG A 86 4.664 7.643 8.217 1.00 0.00 C ATOM 1286 O ARG A 86 5.230 7.333 9.264 1.00 0.00 O ATOM 1287 CB ARG A 86 5.739 8.777 6.362 1.00 0.00 C ATOM 1288 CG ARG A 86 6.797 8.614 5.269 1.00 0.00 C ATOM 1289 CD ARG A 86 7.610 9.857 4.904 1.00 0.00 C ATOM 1290 NE ARG A 86 6.727 11.029 4.647 1.00 0.00 N ATOM 1291 CZ ARG A 86 6.329 11.451 3.411 1.00 0.00 C ATOM 1292 NH1 ARG A 86 6.690 10.810 2.261 1.00 0.00 N ATOM 1293 NH2 ARG A 86 5.552 12.570 3.329 1.00 0.00 N ATOM 0 H ARG A 86 4.122 7.260 5.123 1.00 0.00 H new ATOM 0 HA ARG A 86 6.089 6.713 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.894 9.345 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.154 9.350 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.491 7.834 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.301 8.256 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.302 10.091 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.212 9.652 4.019 1.00 0.00 H new ATOM 0 HE ARG A 86 6.395 11.556 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.281 9.980 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.369 11.161 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.284 13.068 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.240 12.909 2.419 1.00 0.00 H new ATOM 1307 N GLU A 87 3.488 8.296 8.190 1.00 0.00 N ATOM 1308 CA GLU A 87 2.882 8.740 9.407 1.00 0.00 C ATOM 1309 C GLU A 87 2.194 7.607 10.087 1.00 0.00 C ATOM 1310 O GLU A 87 2.098 7.685 11.311 1.00 0.00 O ATOM 1311 CB GLU A 87 1.950 9.946 9.201 1.00 0.00 C ATOM 1312 CG GLU A 87 1.587 10.660 10.505 1.00 0.00 C ATOM 1313 CD GLU A 87 2.781 11.295 11.203 1.00 0.00 C ATOM 1314 OE1 GLU A 87 3.886 11.435 10.614 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.557 11.908 12.280 1.00 0.00 O ATOM 0 H GLU A 87 2.965 8.514 7.342 1.00 0.00 H new ATOM 0 HA GLU A 87 3.679 9.095 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.430 10.656 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.036 9.610 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.847 11.432 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.118 9.946 11.182 1.00 0.00 H new ATOM 1322 N ALA A 88 1.870 6.528 9.354 1.00 0.00 N ATOM 1323 CA ALA A 88 1.389 5.320 9.949 1.00 0.00 C ATOM 1324 C ALA A 88 2.380 4.694 10.869 1.00 0.00 C ATOM 1325 O ALA A 88 2.099 4.186 11.953 1.00 0.00 O ATOM 1326 CB ALA A 88 0.952 4.288 8.896 1.00 0.00 C ATOM 0 H ALA A 88 1.942 6.493 8.337 1.00 0.00 H new ATOM 0 HA ALA A 88 0.520 5.619 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.594 3.388 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.151 4.707 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.800 4.037 8.259 1.00 0.00 H new ATOM 1332 N PHE A 89 3.662 4.767 10.469 1.00 0.00 N ATOM 1333 CA PHE A 89 4.800 4.434 11.269 1.00 0.00 C ATOM 1334 C PHE A 89 5.016 5.267 12.485 1.00 0.00 C ATOM 1335 O PHE A 89 5.129 4.794 13.615 1.00 0.00 O ATOM 1336 CB PHE A 89 6.061 4.408 10.389 1.00 0.00 C ATOM 1337 CG PHE A 89 7.110 3.589 11.059 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.904 4.070 12.073 1.00 0.00 C ATOM 1339 CD2 PHE A 89 7.077 2.258 10.716 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.714 3.167 12.721 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.012 1.421 11.276 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.818 1.862 12.299 1.00 0.00 C ATOM 0 H PHE A 89 3.919 5.077 9.532 1.00 0.00 H new ATOM 0 HA PHE A 89 4.584 3.444 11.671 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.827 3.990 9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.425 5.422 10.224 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.892 5.114 12.349 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.337 1.881 10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.282 3.490 13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.114 0.410 10.910 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.524 1.192 12.766 1.00 0.00 H new ATOM 1352 N ARG A 90 4.920 6.606 12.401 1.00 0.00 N ATOM 1353 CA ARG A 90 5.134 7.551 13.453 1.00 0.00 C ATOM 1354 C ARG A 90 4.009 7.589 14.429 1.00 0.00 C ATOM 1355 O ARG A 90 4.183 7.806 15.628 1.00 0.00 O ATOM 1356 CB ARG A 90 5.522 8.910 12.847 1.00 0.00 C ATOM 1357 CG ARG A 90 6.104 9.934 13.824 1.00 0.00 C ATOM 1358 CD ARG A 90 6.737 11.185 13.211 1.00 0.00 C ATOM 1359 NE ARG A 90 5.603 11.978 12.659 1.00 0.00 N ATOM 1360 CZ ARG A 90 5.501 13.302 12.976 1.00 0.00 C ATOM 1361 NH1 ARG A 90 6.413 14.036 13.677 1.00 0.00 N ATOM 1362 NH2 ARG A 90 4.321 13.880 12.606 1.00 0.00 N ATOM 0 H ARG A 90 4.672 7.064 11.524 1.00 0.00 H new ATOM 0 HA ARG A 90 5.976 7.230 14.066 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.250 8.738 12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.638 9.344 12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.309 10.251 14.499 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.858 9.434 14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.285 11.755 13.961 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.448 10.921 12.428 1.00 0.00 H new ATOM 0 HE ARG A 90 4.912 11.537 12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.268 13.596 14.017 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.239 15.024 13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.607 13.325 12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.153 14.867 12.801 1.00 0.00 H new ATOM 1376 N VAL A 91 2.802 7.214 13.970 1.00 0.00 N ATOM 1377 CA VAL A 91 1.665 7.076 14.826 1.00 0.00 C ATOM 1378 C VAL A 91 1.835 5.927 15.759 1.00 0.00 C ATOM 1379 O VAL A 91 1.474 6.007 16.933 1.00 0.00 O ATOM 1380 CB VAL A 91 0.428 7.036 13.979 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.666 6.098 14.518 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -0.093 8.477 13.845 1.00 0.00 C ATOM 0 H VAL A 91 2.612 7.003 12.990 1.00 0.00 H new ATOM 0 HA VAL A 91 1.561 7.937 15.486 1.00 0.00 H new ATOM 0 HB VAL A 91 0.692 6.620 13.007 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.528 6.124 13.851 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.279 5.080 14.572 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.967 6.424 15.513 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.995 8.482 13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.323 8.874 14.834 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.669 9.097 13.373 1.00 0.00 H new ATOM 1392 N PHE A 92 2.418 4.812 15.285 1.00 0.00 N ATOM 1393 CA PHE A 92 2.894 3.788 16.162 1.00 0.00 C ATOM 1394 C PHE A 92 3.991 4.247 17.059 1.00 0.00 C ATOM 1395 O PHE A 92 4.010 4.107 18.281 1.00 0.00 O ATOM 1396 CB PHE A 92 3.184 2.511 15.355 1.00 0.00 C ATOM 1397 CG PHE A 92 1.996 1.911 14.686 1.00 0.00 C ATOM 1398 CD1 PHE A 92 0.883 1.674 15.458 1.00 0.00 C ATOM 1399 CD2 PHE A 92 1.965 1.502 13.373 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.099 0.840 14.978 1.00 0.00 C ATOM 1401 CE2 PHE A 92 0.970 0.715 12.844 1.00 0.00 C ATOM 1402 CZ PHE A 92 -0.065 0.377 13.684 1.00 0.00 C ATOM 0 H PHE A 92 2.560 4.619 14.293 1.00 0.00 H new ATOM 0 HA PHE A 92 2.109 3.530 16.873 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.933 2.739 14.597 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.621 1.768 16.022 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.782 2.137 16.429 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.767 1.817 12.722 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.910 0.544 15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.000 0.378 11.818 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.860 -0.259 13.323 1.00 0.00 H new ATOM 1412 N ASP A 93 5.063 4.824 16.486 1.00 0.00 N ATOM 1413 CA ASP A 93 6.327 5.072 17.106 1.00 0.00 C ATOM 1414 C ASP A 93 6.326 6.197 18.084 1.00 0.00 C ATOM 1415 O ASP A 93 6.519 7.364 17.747 1.00 0.00 O ATOM 1416 CB ASP A 93 7.518 5.210 16.143 1.00 0.00 C ATOM 1417 CG ASP A 93 8.853 4.983 16.839 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.075 3.838 17.315 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.780 5.830 16.948 1.00 0.00 O ATOM 0 H ASP A 93 5.043 5.140 15.516 1.00 0.00 H new ATOM 0 HA ASP A 93 6.479 4.147 17.663 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.409 4.494 15.329 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.508 6.204 15.696 1.00 0.00 H new ATOM 1424 N LYS A 94 6.064 5.835 19.352 1.00 0.00 N ATOM 1425 CA LYS A 94 5.726 6.819 20.333 1.00 0.00 C ATOM 1426 C LYS A 94 6.923 7.295 21.081 1.00 0.00 C ATOM 1427 O LYS A 94 7.130 8.484 21.320 1.00 0.00 O ATOM 1428 CB LYS A 94 4.568 6.344 21.228 1.00 0.00 C ATOM 1429 CG LYS A 94 3.914 7.406 22.113 1.00 0.00 C ATOM 1430 CD LYS A 94 2.826 6.766 22.977 1.00 0.00 C ATOM 1431 CE LYS A 94 2.199 7.716 24.001 1.00 0.00 C ATOM 1432 NZ LYS A 94 1.612 8.896 23.327 1.00 0.00 N ATOM 0 H LYS A 94 6.085 4.875 19.695 1.00 0.00 H new ATOM 0 HA LYS A 94 5.351 7.702 19.815 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.798 5.910 20.590 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.938 5.545 21.870 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.665 7.876 22.748 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.483 8.193 21.494 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.041 6.381 22.327 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.251 5.912 23.503 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.428 7.192 24.566 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.955 8.038 24.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.104 9.477 24.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.370 9.460 22.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.949 8.581 22.590 1.00 0.00 H new ATOM 1446 N ASP A 95 7.839 6.359 21.386 1.00 0.00 N ATOM 1447 CA ASP A 95 9.087 6.619 22.034 1.00 0.00 C ATOM 1448 C ASP A 95 10.126 7.361 21.265 1.00 0.00 C ATOM 1449 O ASP A 95 11.010 7.872 21.951 1.00 0.00 O ATOM 1450 CB ASP A 95 9.656 5.282 22.538 1.00 0.00 C ATOM 1451 CG ASP A 95 9.922 4.289 21.416 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.856 4.505 20.177 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.094 3.110 21.827 1.00 0.00 O ATOM 0 H ASP A 95 7.702 5.372 21.170 1.00 0.00 H new ATOM 0 HA ASP A 95 8.843 7.313 22.838 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.584 5.469 23.078 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.957 4.841 23.248 1.00 0.00 H new ATOM 1458 N GLY A 96 10.111 7.318 19.921 1.00 0.00 N ATOM 1459 CA GLY A 96 11.021 7.809 18.933 1.00 0.00 C ATOM 1460 C GLY A 96 12.235 6.987 18.669 1.00 0.00 C ATOM 1461 O GLY A 96 13.277 7.610 18.469 1.00 0.00 O ATOM 0 H GLY A 96 9.325 6.860 19.458 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.476 7.921 17.996 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.345 8.805 19.235 1.00 0.00 H new ATOM 1465 N ASN A 97 12.298 5.647 18.764 1.00 0.00 N ATOM 1466 CA ASN A 97 13.359 4.778 18.360 1.00 0.00 C ATOM 1467 C ASN A 97 13.304 4.265 16.962 1.00 0.00 C ATOM 1468 O ASN A 97 14.299 3.832 16.382 1.00 0.00 O ATOM 1469 CB ASN A 97 13.604 3.623 19.346 1.00 0.00 C ATOM 1470 CG ASN A 97 12.706 2.394 19.353 1.00 0.00 C ATOM 1471 OD1 ASN A 97 11.622 2.516 18.785 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.220 1.296 19.970 1.00 0.00 N ATOM 0 H ASN A 97 11.523 5.120 19.166 1.00 0.00 H new ATOM 0 HA ASN A 97 14.216 5.452 18.380 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.623 3.273 19.181 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.572 4.048 20.349 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.683 0.429 19.999 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.142 1.340 20.404 1.00 0.00 H new ATOM 1479 N GLY A 98 12.148 4.374 16.285 1.00 0.00 N ATOM 1480 CA GLY A 98 11.994 4.070 14.896 1.00 0.00 C ATOM 1481 C GLY A 98 11.745 2.616 14.689 1.00 0.00 C ATOM 1482 O GLY A 98 11.639 2.121 13.568 1.00 0.00 O ATOM 0 H GLY A 98 11.283 4.688 16.724 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.165 4.646 14.484 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.891 4.369 14.354 1.00 0.00 H new ATOM 1486 N TYR A 99 11.496 1.869 15.779 1.00 0.00 N ATOM 1487 CA TYR A 99 11.234 0.464 15.749 1.00 0.00 C ATOM 1488 C TYR A 99 9.925 0.318 16.445 1.00 0.00 C ATOM 1489 O TYR A 99 9.759 0.797 17.566 1.00 0.00 O ATOM 1490 CB TYR A 99 12.246 -0.317 16.605 1.00 0.00 C ATOM 1491 CG TYR A 99 13.541 -0.443 15.879 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.573 -1.195 14.728 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.599 0.356 16.243 1.00 0.00 C ATOM 1494 CE1 TYR A 99 14.747 -1.301 14.020 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.709 0.358 15.431 1.00 0.00 C ATOM 1496 CZ TYR A 99 15.823 -0.527 14.385 1.00 0.00 C ATOM 1497 OH TYR A 99 16.977 -0.549 13.573 1.00 0.00 O ATOM 0 H TYR A 99 11.476 2.261 16.721 1.00 0.00 H new ATOM 0 HA TYR A 99 11.271 0.094 14.724 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.401 0.194 17.555 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.852 -1.307 16.836 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.682 -1.699 14.383 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.560 0.962 17.136 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.823 -1.984 13.187 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.503 1.066 15.618 1.00 0.00 H new ATOM 0 HH TYR A 99 17.656 0.047 13.953 1.00 0.00 H new ATOM 1507 N ILE A 100 8.947 -0.355 15.813 1.00 0.00 N ATOM 1508 CA ILE A 100 7.651 -0.601 16.364 1.00 0.00 C ATOM 1509 C ILE A 100 7.749 -1.843 17.181 1.00 0.00 C ATOM 1510 O ILE A 100 8.062 -2.906 16.648 1.00 0.00 O ATOM 1511 CB ILE A 100 6.531 -0.697 15.371 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.339 0.698 14.751 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.267 -1.371 15.931 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.646 0.698 13.389 1.00 0.00 C ATOM 0 H ILE A 100 9.065 -0.744 14.878 1.00 0.00 H new ATOM 0 HA ILE A 100 7.380 0.269 16.962 1.00 0.00 H new ATOM 0 HB ILE A 100 6.789 -1.385 14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.758 1.311 15.440 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.315 1.173 14.648 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.500 -1.405 15.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.506 -2.385 16.250 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.898 -0.801 16.783 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.553 1.722 13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.236 0.116 12.681 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.654 0.256 13.485 1.00 0.00 H new ATOM 1526 N SER A 101 7.509 -1.811 18.504 1.00 0.00 N ATOM 1527 CA SER A 101 7.170 -2.969 19.271 1.00 0.00 C ATOM 1528 C SER A 101 5.736 -3.365 19.186 1.00 0.00 C ATOM 1529 O SER A 101 4.837 -2.564 18.935 1.00 0.00 O ATOM 1530 CB SER A 101 7.646 -2.813 20.725 1.00 0.00 C ATOM 1531 OG SER A 101 6.844 -1.989 21.559 1.00 0.00 O ATOM 0 H SER A 101 7.552 -0.955 19.056 1.00 0.00 H new ATOM 0 HA SER A 101 7.706 -3.802 18.817 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.704 -3.804 21.175 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.658 -2.408 20.713 1.00 0.00 H new ATOM 0 HG SER A 101 7.232 -1.958 22.459 1.00 0.00 H new ATOM 1537 N ALA A 102 5.372 -4.623 19.492 1.00 0.00 N ATOM 1538 CA ALA A 102 4.018 -5.071 19.601 1.00 0.00 C ATOM 1539 C ALA A 102 3.121 -4.263 20.475 1.00 0.00 C ATOM 1540 O ALA A 102 1.957 -4.018 20.164 1.00 0.00 O ATOM 1541 CB ALA A 102 4.132 -6.518 20.110 1.00 0.00 C ATOM 0 H ALA A 102 6.052 -5.361 19.672 1.00 0.00 H new ATOM 0 HA ALA A 102 3.534 -4.972 18.629 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.135 -6.943 20.224 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.700 -7.112 19.394 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.642 -6.526 21.073 1.00 0.00 H new ATOM 1547 N ALA A 103 3.653 -3.851 21.640 1.00 0.00 N ATOM 1548 CA ALA A 103 2.945 -2.944 22.487 1.00 0.00 C ATOM 1549 C ALA A 103 2.576 -1.584 22.002 1.00 0.00 C ATOM 1550 O ALA A 103 1.548 -1.027 22.383 1.00 0.00 O ATOM 1551 CB ALA A 103 3.729 -2.760 23.797 1.00 0.00 C ATOM 0 H ALA A 103 4.565 -4.143 21.992 1.00 0.00 H new ATOM 0 HA ALA A 103 1.983 -3.449 22.571 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.193 -2.069 24.448 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.832 -3.723 24.297 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.718 -2.358 23.576 1.00 0.00 H new ATOM 1557 N GLU A 104 3.388 -1.045 21.075 1.00 0.00 N ATOM 1558 CA GLU A 104 3.031 0.116 20.320 1.00 0.00 C ATOM 1559 C GLU A 104 1.928 -0.111 19.344 1.00 0.00 C ATOM 1560 O GLU A 104 1.217 0.807 18.941 1.00 0.00 O ATOM 1561 CB GLU A 104 4.260 0.688 19.593 1.00 0.00 C ATOM 1562 CG GLU A 104 5.366 1.007 20.601 1.00 0.00 C ATOM 1563 CD GLU A 104 6.567 1.716 19.993 1.00 0.00 C ATOM 1564 OE1 GLU A 104 7.323 0.985 19.299 1.00 0.00 O ATOM 1565 OE2 GLU A 104 6.906 2.906 20.233 1.00 0.00 O ATOM 0 H GLU A 104 4.308 -1.422 20.846 1.00 0.00 H new ATOM 0 HA GLU A 104 2.656 0.835 21.048 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.624 -0.029 18.857 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.983 1.590 19.048 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.952 1.629 21.395 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.700 0.079 21.065 1.00 0.00 H new ATOM 1572 N LEU A 105 1.817 -1.281 18.690 1.00 0.00 N ATOM 1573 CA LEU A 105 0.779 -1.662 17.783 1.00 0.00 C ATOM 1574 C LEU A 105 -0.523 -1.908 18.465 1.00 0.00 C ATOM 1575 O LEU A 105 -1.608 -1.613 17.966 1.00 0.00 O ATOM 1576 CB LEU A 105 1.268 -2.833 16.915 1.00 0.00 C ATOM 1577 CG LEU A 105 0.476 -2.993 15.606 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.419 -3.198 14.408 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -0.472 -4.196 15.746 1.00 0.00 C ATOM 0 H LEU A 105 2.511 -2.020 18.806 1.00 0.00 H new ATOM 0 HA LEU A 105 0.564 -0.827 17.116 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.322 -2.685 16.678 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.197 -3.756 17.490 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.097 -2.084 15.423 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.831 -3.308 13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.078 -2.335 14.312 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.017 -4.096 14.565 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.040 -4.321 14.824 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.110 -5.097 15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.159 -4.024 16.575 1.00 0.00 H new ATOM 1591 N ARG A 106 -0.408 -2.304 19.745 1.00 0.00 N ATOM 1592 CA ARG A 106 -1.494 -2.551 20.641 1.00 0.00 C ATOM 1593 C ARG A 106 -2.019 -1.273 21.197 1.00 0.00 C ATOM 1594 O ARG A 106 -3.226 -1.037 21.233 1.00 0.00 O ATOM 1595 CB ARG A 106 -1.123 -3.520 21.776 1.00 0.00 C ATOM 1596 CG ARG A 106 -2.290 -3.774 22.733 1.00 0.00 C ATOM 1597 CD ARG A 106 -3.403 -4.540 22.013 1.00 0.00 C ATOM 1598 NE ARG A 106 -4.408 -4.835 23.073 1.00 0.00 N ATOM 1599 CZ ARG A 106 -4.413 -5.851 23.985 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -3.453 -6.814 24.104 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -5.514 -5.913 24.788 1.00 0.00 N ATOM 0 H ARG A 106 0.501 -2.461 20.181 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.277 -3.035 20.056 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.795 -4.467 21.348 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.280 -3.114 22.335 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.945 -4.344 23.596 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.675 -2.826 23.109 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.838 -3.945 21.210 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.024 -5.457 21.561 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.198 -4.192 23.124 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.647 -6.811 23.479 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.541 -7.537 24.818 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.262 -5.227 24.682 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.590 -6.645 25.494 1.00 0.00 H new ATOM 1615 N HIS A 107 -1.145 -0.328 21.589 1.00 0.00 N ATOM 1616 CA HIS A 107 -1.532 0.928 22.152 1.00 0.00 C ATOM 1617 C HIS A 107 -2.217 1.853 21.205 1.00 0.00 C ATOM 1618 O HIS A 107 -2.936 2.722 21.695 1.00 0.00 O ATOM 1619 CB HIS A 107 -0.271 1.615 22.702 1.00 0.00 C ATOM 1620 CG HIS A 107 -0.482 2.724 23.690 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -1.257 2.652 24.830 1.00 0.00 N ATOM 1622 CD2 HIS A 107 0.086 3.959 23.658 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -1.183 3.878 25.413 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -0.345 4.664 24.763 1.00 0.00 N ATOM 0 H HIS A 107 -0.134 -0.443 21.511 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.263 0.709 22.930 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.352 0.855 23.173 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.294 2.014 21.859 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.760 4.326 22.897 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.737 4.170 26.293 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.069 5.610 25.027 1.00 0.00 H new ATOM 1632 N VAL A 108 -2.189 1.656 19.875 1.00 0.00 N ATOM 1633 CA VAL A 108 -2.916 2.397 18.891 1.00 0.00 C ATOM 1634 C VAL A 108 -4.254 1.777 18.677 1.00 0.00 C ATOM 1635 O VAL A 108 -5.242 2.502 18.566 1.00 0.00 O ATOM 1636 CB VAL A 108 -2.104 2.538 17.638 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -2.847 2.999 16.372 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -0.916 3.485 17.872 1.00 0.00 C ATOM 0 H VAL A 108 -1.615 0.924 19.457 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.099 3.412 19.243 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.791 1.514 17.433 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.145 3.060 15.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.634 2.284 16.132 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.289 3.980 16.546 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.337 3.576 16.953 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.286 4.467 18.167 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.281 3.084 18.662 1.00 0.00 H new ATOM 1648 N MET A 109 -4.325 0.444 18.840 1.00 0.00 N ATOM 1649 CA MET A 109 -5.562 -0.274 18.850 1.00 0.00 C ATOM 1650 C MET A 109 -6.429 0.019 20.025 1.00 0.00 C ATOM 1651 O MET A 109 -7.656 0.053 19.933 1.00 0.00 O ATOM 1652 CB MET A 109 -5.355 -1.743 18.447 1.00 0.00 C ATOM 1653 CG MET A 109 -4.780 -2.016 17.056 1.00 0.00 C ATOM 1654 SD MET A 109 -5.801 -2.874 15.819 1.00 0.00 S ATOM 1655 CE MET A 109 -6.457 -1.279 15.248 1.00 0.00 C ATOM 0 H MET A 109 -3.505 -0.148 18.968 1.00 0.00 H new ATOM 0 HA MET A 109 -6.199 0.118 18.057 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.694 -2.204 19.181 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.317 -2.251 18.520 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.487 -1.057 16.629 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.868 -2.598 17.188 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.229 -1.451 14.498 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.885 -0.739 16.092 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.651 -0.690 14.811 1.00 0.00 H new ATOM 1665 N THR A 110 -5.886 0.062 21.255 1.00 0.00 N ATOM 1666 CA THR A 110 -6.480 0.290 22.535 1.00 0.00 C ATOM 1667 C THR A 110 -6.882 1.712 22.729 1.00 0.00 C ATOM 1668 O THR A 110 -7.937 1.959 23.312 1.00 0.00 O ATOM 1669 CB THR A 110 -5.687 0.013 23.778 1.00 0.00 C ATOM 1670 OG1 THR A 110 -4.394 0.600 23.750 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.636 -1.522 23.847 1.00 0.00 C ATOM 0 H THR A 110 -4.882 -0.086 21.359 1.00 0.00 H new ATOM 0 HA THR A 110 -7.286 -0.439 22.459 1.00 0.00 H new ATOM 0 HB THR A 110 -6.144 0.454 24.663 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.921 0.390 24.583 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.073 -1.828 24.729 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.650 -1.917 23.909 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.149 -1.910 22.953 1.00 0.00 H new ATOM 1679 N ASN A 111 -6.120 2.686 22.200 1.00 0.00 N ATOM 1680 CA ASN A 111 -6.501 4.064 22.207 1.00 0.00 C ATOM 1681 C ASN A 111 -7.794 4.272 21.496 1.00 0.00 C ATOM 1682 O ASN A 111 -8.700 4.920 22.019 1.00 0.00 O ATOM 1683 CB ASN A 111 -5.451 5.033 21.638 1.00 0.00 C ATOM 1684 CG ASN A 111 -5.514 6.445 22.204 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -5.815 6.704 23.368 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -5.222 7.388 21.268 1.00 0.00 N ATOM 0 H ASN A 111 -5.218 2.512 21.757 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.602 4.305 23.265 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.459 4.624 21.828 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.573 5.084 20.556 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.246 8.377 21.516 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.979 7.106 20.318 1.00 0.00 H new ATOM 1693 N LEU A 112 -7.923 3.610 20.333 1.00 0.00 N ATOM 1694 CA LEU A 112 -9.047 3.591 19.448 1.00 0.00 C ATOM 1695 C LEU A 112 -10.247 2.885 19.978 1.00 0.00 C ATOM 1696 O LEU A 112 -11.409 3.075 19.620 1.00 0.00 O ATOM 1697 CB LEU A 112 -8.829 2.885 18.100 1.00 0.00 C ATOM 1698 CG LEU A 112 -7.806 3.645 17.238 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -7.342 2.648 16.164 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -8.525 4.792 16.508 1.00 0.00 C ATOM 0 H LEU A 112 -7.162 3.030 19.979 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.189 4.666 19.334 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.480 1.867 18.271 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.777 2.812 17.566 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.987 4.036 17.842 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.610 3.128 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.888 1.781 16.644 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.198 2.327 15.571 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.809 5.338 15.894 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.311 4.383 15.873 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.966 5.469 17.240 1.00 0.00 H new ATOM 1712 N GLY A 113 -9.930 1.960 20.900 1.00 0.00 N ATOM 1713 CA GLY A 113 -10.825 1.086 21.594 1.00 0.00 C ATOM 1714 C GLY A 113 -11.316 -0.071 20.793 1.00 0.00 C ATOM 1715 O GLY A 113 -12.486 -0.426 20.926 1.00 0.00 O ATOM 0 H GLY A 113 -8.962 1.811 21.184 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.323 0.707 22.484 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.684 1.664 21.935 1.00 0.00 H new ATOM 1719 N GLU A 114 -10.464 -0.616 19.907 1.00 0.00 N ATOM 1720 CA GLU A 114 -10.542 -1.839 19.169 1.00 0.00 C ATOM 1721 C GLU A 114 -10.279 -2.987 20.082 1.00 0.00 C ATOM 1722 O GLU A 114 -9.378 -2.919 20.916 1.00 0.00 O ATOM 1723 CB GLU A 114 -9.474 -1.793 18.064 1.00 0.00 C ATOM 1724 CG GLU A 114 -9.490 -2.998 17.121 1.00 0.00 C ATOM 1725 CD GLU A 114 -10.801 -3.043 16.349 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -11.317 -2.055 15.763 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.288 -4.193 16.182 1.00 0.00 O ATOM 0 H GLU A 114 -9.599 -0.125 19.680 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.532 -1.961 18.731 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.614 -0.885 17.477 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.490 -1.723 18.528 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.652 -2.937 16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.364 -3.918 17.692 1.00 0.00 H new ATOM 1734 N LYS A 115 -11.088 -4.058 19.991 1.00 0.00 N ATOM 1735 CA LYS A 115 -10.867 -5.276 20.708 1.00 0.00 C ATOM 1736 C LYS A 115 -9.857 -6.071 19.954 1.00 0.00 C ATOM 1737 O LYS A 115 -10.151 -6.577 18.873 1.00 0.00 O ATOM 1738 CB LYS A 115 -12.143 -6.104 20.934 1.00 0.00 C ATOM 1739 CG LYS A 115 -13.075 -5.431 21.943 1.00 0.00 C ATOM 1740 CD LYS A 115 -14.483 -6.028 22.001 1.00 0.00 C ATOM 1741 CE LYS A 115 -15.388 -5.465 20.902 1.00 0.00 C ATOM 1742 NZ LYS A 115 -16.771 -5.890 21.211 1.00 0.00 N ATOM 0 H LYS A 115 -11.920 -4.077 19.401 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.511 -5.020 21.706 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.665 -6.236 19.986 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.875 -7.098 21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.625 -5.496 22.934 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -13.153 -4.372 21.697 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.422 -7.112 21.901 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.925 -5.822 22.976 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.319 -4.378 20.867 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.081 -5.836 19.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.417 -5.525 20.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.820 -6.929 21.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.050 -5.516 22.140 1.00 0.00 H new ATOM 1756 N LEU A 116 -8.641 -6.292 20.484 1.00 0.00 N ATOM 1757 CA LEU A 116 -7.686 -7.091 19.780 1.00 0.00 C ATOM 1758 C LEU A 116 -6.768 -7.685 20.793 1.00 0.00 C ATOM 1759 O LEU A 116 -6.412 -7.064 21.792 1.00 0.00 O ATOM 1760 CB LEU A 116 -6.849 -6.191 18.855 1.00 0.00 C ATOM 1761 CG LEU A 116 -5.951 -6.959 17.871 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -6.797 -7.571 16.742 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -4.980 -6.097 17.046 1.00 0.00 C ATOM 0 H LEU A 116 -8.323 -5.926 21.381 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.192 -7.857 19.193 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.521 -5.546 18.289 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.224 -5.541 19.467 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.426 -7.650 18.530 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.148 -8.112 16.053 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.528 -8.259 17.167 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.315 -6.777 16.205 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.396 -6.738 16.386 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.546 -5.381 16.450 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.310 -5.560 17.717 1.00 0.00 H new ATOM 1775 N THR A 117 -6.413 -8.978 20.694 1.00 0.00 N ATOM 1776 CA THR A 117 -5.649 -9.631 21.711 1.00 0.00 C ATOM 1777 C THR A 117 -4.191 -9.571 21.412 1.00 0.00 C ATOM 1778 O THR A 117 -3.766 -9.144 20.339 1.00 0.00 O ATOM 1779 CB THR A 117 -6.011 -11.050 22.036 1.00 0.00 C ATOM 1780 OG1 THR A 117 -5.930 -11.977 20.963 1.00 0.00 O ATOM 1781 CG2 THR A 117 -7.408 -11.054 22.678 1.00 0.00 C ATOM 0 H THR A 117 -6.657 -9.575 19.904 1.00 0.00 H new ATOM 0 HA THR A 117 -5.909 -9.057 22.600 1.00 0.00 H new ATOM 0 HB THR A 117 -5.250 -11.412 22.727 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.508 -11.680 20.230 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.693 -12.077 22.923 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.392 -10.454 23.588 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.131 -10.634 21.979 1.00 0.00 H new ATOM 1789 N ASP A 118 -3.384 -10.000 22.399 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.969 -10.104 22.218 1.00 0.00 C ATOM 1791 C ASP A 118 -1.628 -10.999 21.077 1.00 0.00 C ATOM 1792 O ASP A 118 -0.696 -10.828 20.293 1.00 0.00 O ATOM 1793 CB ASP A 118 -1.351 -10.477 23.576 1.00 0.00 C ATOM 1794 CG ASP A 118 -1.696 -9.469 24.662 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -2.861 -9.479 25.143 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -0.690 -8.802 25.023 1.00 0.00 O ATOM 0 H ASP A 118 -3.712 -10.275 23.325 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.527 -9.154 21.918 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.703 -11.464 23.874 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.268 -10.542 23.474 1.00 0.00 H new ATOM 1801 N GLU A 119 -2.375 -12.109 20.940 1.00 0.00 N ATOM 1802 CA GLU A 119 -2.062 -13.163 20.025 1.00 0.00 C ATOM 1803 C GLU A 119 -2.288 -12.706 18.625 1.00 0.00 C ATOM 1804 O GLU A 119 -1.475 -12.799 17.706 1.00 0.00 O ATOM 1805 CB GLU A 119 -2.872 -14.430 20.347 1.00 0.00 C ATOM 1806 CG GLU A 119 -2.259 -15.702 19.758 1.00 0.00 C ATOM 1807 CD GLU A 119 -1.127 -16.264 20.606 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -1.446 -16.941 21.619 1.00 0.00 O ATOM 1809 OE2 GLU A 119 0.055 -15.919 20.339 1.00 0.00 O ATOM 0 H GLU A 119 -3.222 -12.279 21.482 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.008 -13.421 20.131 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.950 -14.539 21.429 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.886 -14.312 19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.037 -16.458 19.653 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.884 -15.488 18.757 1.00 0.00 H new ATOM 1816 N GLU A 120 -3.325 -11.879 18.406 1.00 0.00 N ATOM 1817 CA GLU A 120 -3.594 -11.134 17.215 1.00 0.00 C ATOM 1818 C GLU A 120 -2.719 -9.982 16.860 1.00 0.00 C ATOM 1819 O GLU A 120 -2.378 -9.780 15.696 1.00 0.00 O ATOM 1820 CB GLU A 120 -5.071 -10.722 17.341 1.00 0.00 C ATOM 1821 CG GLU A 120 -6.000 -11.929 17.490 1.00 0.00 C ATOM 1822 CD GLU A 120 -7.416 -11.500 17.846 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -7.619 -10.981 18.977 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -8.366 -11.661 17.034 1.00 0.00 O ATOM 0 H GLU A 120 -4.033 -11.719 19.122 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.364 -11.784 16.371 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.191 -10.066 18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.362 -10.149 16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.013 -12.497 16.560 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.614 -12.593 18.263 1.00 0.00 H new ATOM 1831 N VAL A 121 -2.137 -9.221 17.804 1.00 0.00 N ATOM 1832 CA VAL A 121 -1.043 -8.322 17.599 1.00 0.00 C ATOM 1833 C VAL A 121 0.203 -9.004 17.150 1.00 0.00 C ATOM 1834 O VAL A 121 0.923 -8.547 16.264 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.722 -7.457 18.781 1.00 0.00 C ATOM 1836 CG1 VAL A 121 0.694 -6.865 18.881 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -1.650 -6.230 18.759 1.00 0.00 C ATOM 0 H VAL A 121 -2.452 -9.235 18.774 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.406 -7.676 16.800 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.839 -8.145 19.619 1.00 0.00 H new ATOM 0 HG11 VAL A 121 0.774 -6.264 19.787 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.425 -7.673 18.916 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.888 -6.238 18.011 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.428 -5.591 19.614 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.492 -5.671 17.837 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.688 -6.558 18.811 1.00 0.00 H new ATOM 1847 N ASP A 122 0.558 -10.137 17.782 1.00 0.00 N ATOM 1848 CA ASP A 122 1.808 -10.796 17.565 1.00 0.00 C ATOM 1849 C ASP A 122 1.801 -11.398 16.202 1.00 0.00 C ATOM 1850 O ASP A 122 2.861 -11.396 15.579 1.00 0.00 O ATOM 1851 CB ASP A 122 1.943 -11.880 18.648 1.00 0.00 C ATOM 1852 CG ASP A 122 3.230 -12.692 18.598 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.298 -12.047 18.771 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.206 -13.942 18.439 1.00 0.00 O ATOM 0 H ASP A 122 -0.040 -10.607 18.462 1.00 0.00 H new ATOM 0 HA ASP A 122 2.650 -10.107 17.628 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.871 -11.404 19.626 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.098 -12.563 18.562 1.00 0.00 H new ATOM 1859 N GLU A 123 0.644 -11.782 15.634 1.00 0.00 N ATOM 1860 CA GLU A 123 0.732 -12.208 14.272 1.00 0.00 C ATOM 1861 C GLU A 123 1.012 -11.123 13.289 1.00 0.00 C ATOM 1862 O GLU A 123 1.688 -11.280 12.274 1.00 0.00 O ATOM 1863 CB GLU A 123 -0.662 -12.806 14.015 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.794 -13.715 12.790 1.00 0.00 C ATOM 1865 CD GLU A 123 -2.168 -14.345 12.620 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.624 -15.029 13.576 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.736 -14.222 11.502 1.00 0.00 O ATOM 0 H GLU A 123 -0.278 -11.800 16.070 1.00 0.00 H new ATOM 0 HA GLU A 123 1.570 -12.892 14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.958 -13.374 14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.372 -11.986 13.911 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.560 -13.136 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.050 -14.509 12.860 1.00 0.00 H new ATOM 1874 N MET A 124 0.523 -9.915 13.622 1.00 0.00 N ATOM 1875 CA MET A 124 0.799 -8.713 12.898 1.00 0.00 C ATOM 1876 C MET A 124 2.222 -8.274 12.946 1.00 0.00 C ATOM 1877 O MET A 124 2.822 -7.780 11.992 1.00 0.00 O ATOM 1878 CB MET A 124 -0.156 -7.610 13.384 1.00 0.00 C ATOM 1879 CG MET A 124 -1.619 -7.894 13.035 1.00 0.00 C ATOM 1880 SD MET A 124 -2.748 -6.723 13.847 1.00 0.00 S ATOM 1881 CE MET A 124 -4.397 -7.455 13.636 1.00 0.00 C ATOM 0 H MET A 124 -0.088 -9.770 14.426 1.00 0.00 H new ATOM 0 HA MET A 124 0.625 -8.925 11.843 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.059 -7.503 14.464 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.140 -6.659 12.941 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.752 -7.837 11.955 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.873 -8.911 13.335 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.143 -6.810 14.099 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.616 -7.558 12.573 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.423 -8.437 14.109 1.00 0.00 H new ATOM 1891 N ILE A 125 2.866 -8.461 14.112 1.00 0.00 N ATOM 1892 CA ILE A 125 4.270 -8.280 14.311 1.00 0.00 C ATOM 1893 C ILE A 125 5.004 -9.399 13.656 1.00 0.00 C ATOM 1894 O ILE A 125 5.958 -9.188 12.910 1.00 0.00 O ATOM 1895 CB ILE A 125 4.642 -8.048 15.746 1.00 0.00 C ATOM 1896 CG1 ILE A 125 3.889 -6.866 16.379 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.164 -7.855 15.853 1.00 0.00 C ATOM 1898 CD1 ILE A 125 4.280 -5.494 15.832 1.00 0.00 C ATOM 0 H ILE A 125 2.381 -8.754 14.960 1.00 0.00 H new ATOM 0 HA ILE A 125 4.580 -7.354 13.827 1.00 0.00 H new ATOM 0 HB ILE A 125 4.342 -8.929 16.312 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.819 -7.011 16.228 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.063 -6.876 17.455 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.437 -7.686 16.895 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.671 -8.747 15.485 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.465 -6.995 15.255 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.699 -4.722 16.336 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.342 -5.321 16.008 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.079 -5.458 14.761 1.00 0.00 H new ATOM 1910 N ARG A 126 4.668 -10.686 13.856 1.00 0.00 N ATOM 1911 CA ARG A 126 5.281 -11.864 13.323 1.00 0.00 C ATOM 1912 C ARG A 126 5.344 -11.920 11.836 1.00 0.00 C ATOM 1913 O ARG A 126 6.314 -12.387 11.241 1.00 0.00 O ATOM 1914 CB ARG A 126 4.655 -13.145 13.900 1.00 0.00 C ATOM 1915 CG ARG A 126 5.255 -14.474 13.438 1.00 0.00 C ATOM 1916 CD ARG A 126 4.929 -15.698 14.297 1.00 0.00 C ATOM 1917 NE ARG A 126 3.509 -15.620 14.741 1.00 0.00 N ATOM 1918 CZ ARG A 126 2.381 -16.262 14.320 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.444 -16.963 13.150 1.00 0.00 N ATOM 1920 NH2 ARG A 126 1.210 -16.127 15.008 1.00 0.00 N ATOM 0 H ARG A 126 3.880 -10.924 14.458 1.00 0.00 H new ATOM 0 HA ARG A 126 6.319 -11.802 13.651 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.728 -13.099 14.987 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.594 -13.147 13.651 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.914 -14.669 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.339 -14.364 13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.095 -16.612 13.727 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.591 -15.737 15.162 1.00 0.00 H new ATOM 0 HE ARG A 126 3.350 -14.962 15.504 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.315 -16.995 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.620 -17.455 12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.174 -15.543 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.371 -16.610 14.687 1.00 0.00 H new ATOM 1934 N GLU A 127 4.349 -11.337 11.144 1.00 0.00 N ATOM 1935 CA GLU A 127 4.275 -11.331 9.715 1.00 0.00 C ATOM 1936 C GLU A 127 5.057 -10.179 9.186 1.00 0.00 C ATOM 1937 O GLU A 127 5.602 -10.160 8.084 1.00 0.00 O ATOM 1938 CB GLU A 127 2.804 -11.356 9.269 1.00 0.00 C ATOM 1939 CG GLU A 127 2.170 -12.749 9.298 1.00 0.00 C ATOM 1940 CD GLU A 127 2.962 -13.716 8.430 1.00 0.00 C ATOM 1941 OE1 GLU A 127 3.355 -13.318 7.301 1.00 0.00 O ATOM 1942 OE2 GLU A 127 3.146 -14.893 8.840 1.00 0.00 O ATOM 0 H GLU A 127 3.571 -10.854 11.593 1.00 0.00 H new ATOM 0 HA GLU A 127 4.728 -12.228 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.228 -10.692 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.735 -10.957 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.135 -13.117 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.141 -12.693 8.944 1.00 0.00 H new ATOM 1949 N ALA A 128 5.199 -9.117 9.999 1.00 0.00 N ATOM 1950 CA ALA A 128 5.793 -7.887 9.574 1.00 0.00 C ATOM 1951 C ALA A 128 7.251 -7.810 9.871 1.00 0.00 C ATOM 1952 O ALA A 128 8.077 -7.412 9.051 1.00 0.00 O ATOM 1953 CB ALA A 128 5.081 -6.838 10.444 1.00 0.00 C ATOM 0 H ALA A 128 4.895 -9.112 10.973 1.00 0.00 H new ATOM 0 HA ALA A 128 5.691 -7.759 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.461 -5.846 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.009 -6.873 10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.268 -7.051 11.497 1.00 0.00 H new ATOM 1959 N ASP A 129 7.672 -8.276 11.060 1.00 0.00 N ATOM 1960 CA ASP A 129 9.064 -8.408 11.360 1.00 0.00 C ATOM 1961 C ASP A 129 9.704 -9.413 10.466 1.00 0.00 C ATOM 1962 O ASP A 129 9.374 -10.594 10.372 1.00 0.00 O ATOM 1963 CB ASP A 129 9.304 -8.927 12.788 1.00 0.00 C ATOM 1964 CG ASP A 129 10.751 -9.205 13.170 1.00 0.00 C ATOM 1965 OD1 ASP A 129 11.620 -8.369 12.805 1.00 0.00 O ATOM 1966 OD2 ASP A 129 11.005 -10.382 13.540 1.00 0.00 O ATOM 0 H ASP A 129 7.048 -8.562 11.815 1.00 0.00 H new ATOM 0 HA ASP A 129 9.484 -7.411 11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.899 -8.198 13.490 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.733 -9.846 12.918 1.00 0.00 H new ATOM 1971 N ILE A 130 10.687 -8.922 9.689 1.00 0.00 N ATOM 1972 CA ILE A 130 11.519 -9.731 8.853 1.00 0.00 C ATOM 1973 C ILE A 130 12.639 -10.447 9.525 1.00 0.00 C ATOM 1974 O ILE A 130 12.757 -11.671 9.549 1.00 0.00 O ATOM 1975 CB ILE A 130 11.830 -8.992 7.585 1.00 0.00 C ATOM 1976 CG1 ILE A 130 10.571 -9.038 6.702 1.00 0.00 C ATOM 1977 CG2 ILE A 130 13.084 -9.604 6.940 1.00 0.00 C ATOM 1978 CD1 ILE A 130 10.711 -8.546 5.262 1.00 0.00 C ATOM 0 H ILE A 130 10.910 -7.928 9.641 1.00 0.00 H new ATOM 0 HA ILE A 130 10.944 -10.610 8.563 1.00 0.00 H new ATOM 0 HB ILE A 130 12.069 -7.942 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.215 -10.068 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.796 -8.446 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 130 13.316 -9.071 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.925 -9.520 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.902 -10.655 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.751 -8.633 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.028 -7.503 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.454 -9.150 4.742 1.00 0.00 H new ATOM 1990 N ASP A 131 13.532 -9.741 10.242 1.00 0.00 N ATOM 1991 CA ASP A 131 14.765 -10.297 10.706 1.00 0.00 C ATOM 1992 C ASP A 131 14.797 -10.861 12.085 1.00 0.00 C ATOM 1993 O ASP A 131 15.876 -11.107 12.620 1.00 0.00 O ATOM 1994 CB ASP A 131 15.800 -9.220 10.339 1.00 0.00 C ATOM 1995 CG ASP A 131 15.805 -7.977 11.218 1.00 0.00 C ATOM 1996 OD1 ASP A 131 14.906 -7.674 12.047 1.00 0.00 O ATOM 1997 OD2 ASP A 131 16.815 -7.241 11.058 1.00 0.00 O ATOM 0 H ASP A 131 13.395 -8.765 10.504 1.00 0.00 H new ATOM 0 HA ASP A 131 14.990 -11.247 10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 131 16.792 -9.670 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 131 15.625 -8.912 9.308 1.00 0.00 H new ATOM 2002 N GLY A 132 13.654 -11.157 12.728 1.00 0.00 N ATOM 2003 CA GLY A 132 13.670 -12.154 13.754 1.00 0.00 C ATOM 2004 C GLY A 132 13.555 -11.601 15.133 1.00 0.00 C ATOM 2005 O GLY A 132 13.437 -12.360 16.094 1.00 0.00 O ATOM 0 H GLY A 132 12.748 -10.724 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 132 12.850 -12.851 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.595 -12.725 13.678 1.00 0.00 H new ATOM 2009 N ASP A 133 13.673 -10.266 15.249 1.00 0.00 N ATOM 2010 CA ASP A 133 13.904 -9.651 16.519 1.00 0.00 C ATOM 2011 C ASP A 133 12.616 -9.403 17.226 1.00 0.00 C ATOM 2012 O ASP A 133 12.525 -9.413 18.452 1.00 0.00 O ATOM 2013 CB ASP A 133 14.843 -8.433 16.490 1.00 0.00 C ATOM 2014 CG ASP A 133 14.302 -7.231 15.729 1.00 0.00 C ATOM 2015 OD1 ASP A 133 13.338 -7.279 14.920 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.842 -6.135 16.038 1.00 0.00 O ATOM 0 H ASP A 133 13.609 -9.615 14.467 1.00 0.00 H new ATOM 0 HA ASP A 133 14.471 -10.371 17.109 1.00 0.00 H new ATOM 0 HB2 ASP A 133 15.056 -8.131 17.515 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.791 -8.733 16.043 1.00 0.00 H new ATOM 2021 N GLY A 134 11.604 -9.198 16.364 1.00 0.00 N ATOM 2022 CA GLY A 134 10.220 -9.059 16.697 1.00 0.00 C ATOM 2023 C GLY A 134 9.848 -7.629 16.888 1.00 0.00 C ATOM 2024 O GLY A 134 8.920 -7.274 17.613 1.00 0.00 O ATOM 0 H GLY A 134 11.767 -9.124 15.360 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.608 -9.493 15.906 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.006 -9.617 17.608 1.00 0.00 H new ATOM 2028 N GLN A 135 10.570 -6.710 16.223 1.00 0.00 N ATOM 2029 CA GLN A 135 10.119 -5.358 16.116 1.00 0.00 C ATOM 2030 C GLN A 135 10.000 -5.019 14.670 1.00 0.00 C ATOM 2031 O GLN A 135 10.739 -5.524 13.826 1.00 0.00 O ATOM 2032 CB GLN A 135 11.031 -4.352 16.838 1.00 0.00 C ATOM 2033 CG GLN A 135 10.924 -4.475 18.359 1.00 0.00 C ATOM 2034 CD GLN A 135 11.492 -3.245 19.052 1.00 0.00 C ATOM 2035 OE1 GLN A 135 10.721 -2.363 19.427 1.00 0.00 O ATOM 2036 NE2 GLN A 135 12.849 -3.167 19.097 1.00 0.00 N ATOM 0 H GLN A 135 11.460 -6.901 15.762 1.00 0.00 H new ATOM 0 HA GLN A 135 9.152 -5.283 16.613 1.00 0.00 H new ATOM 0 HB2 GLN A 135 12.065 -4.515 16.532 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.765 -3.339 16.536 1.00 0.00 H new ATOM 0 HG2 GLN A 135 9.880 -4.606 18.643 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.459 -5.364 18.693 1.00 0.00 H new ATOM 0 HE21 GLN A 135 13.416 -3.947 18.764 1.00 0.00 H new ATOM 0 HE22 GLN A 135 13.300 -2.329 19.463 1.00 0.00 H new ATOM 2045 N VAL A 136 9.130 -4.072 14.276 1.00 0.00 N ATOM 2046 CA VAL A 136 8.948 -3.728 12.900 1.00 0.00 C ATOM 2047 C VAL A 136 9.650 -2.432 12.680 1.00 0.00 C ATOM 2048 O VAL A 136 9.408 -1.410 13.320 1.00 0.00 O ATOM 2049 CB VAL A 136 7.474 -3.669 12.627 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.231 -3.583 11.111 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.677 -4.901 13.087 1.00 0.00 C ATOM 0 H VAL A 136 8.546 -3.539 14.920 1.00 0.00 H new ATOM 0 HA VAL A 136 9.368 -4.459 12.209 1.00 0.00 H new ATOM 0 HB VAL A 136 7.134 -2.798 13.187 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.159 -3.540 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.708 -2.686 10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.654 -4.462 10.624 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.623 -4.763 12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.053 -5.788 12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.790 -5.026 14.164 1.00 0.00 H new ATOM 2061 N ASN A 137 10.580 -2.493 11.710 1.00 0.00 N ATOM 2062 CA ASN A 137 11.292 -1.331 11.278 1.00 0.00 C ATOM 2063 C ASN A 137 10.587 -0.829 10.065 1.00 0.00 C ATOM 2064 O ASN A 137 9.542 -1.350 9.680 1.00 0.00 O ATOM 2065 CB ASN A 137 12.710 -1.833 10.960 1.00 0.00 C ATOM 2066 CG ASN A 137 13.837 -0.816 10.843 1.00 0.00 C ATOM 2067 OD1 ASN A 137 13.649 0.384 11.040 1.00 0.00 O ATOM 2068 ND2 ASN A 137 15.061 -1.333 10.554 1.00 0.00 N ATOM 0 H ASN A 137 10.839 -3.351 11.223 1.00 0.00 H new ATOM 0 HA ASN A 137 11.341 -0.520 12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 137 12.989 -2.548 11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.663 -2.383 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.873 -0.718 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.167 -2.335 10.398 1.00 0.00 H new ATOM 2075 N TYR A 138 11.030 0.345 9.580 1.00 0.00 N ATOM 2076 CA TYR A 138 10.322 1.126 8.615 1.00 0.00 C ATOM 2077 C TYR A 138 10.074 0.445 7.313 1.00 0.00 C ATOM 2078 O TYR A 138 8.912 0.333 6.926 1.00 0.00 O ATOM 2079 CB TYR A 138 11.158 2.396 8.380 1.00 0.00 C ATOM 2080 CG TYR A 138 10.413 3.349 7.511 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.146 3.697 7.918 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.898 3.846 6.324 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.263 4.257 7.025 1.00 0.00 C ATOM 2084 CE2 TYR A 138 10.041 4.417 5.414 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.722 4.578 5.769 1.00 0.00 C ATOM 2086 OH TYR A 138 7.846 5.261 4.899 1.00 0.00 O ATOM 0 H TYR A 138 11.913 0.765 9.871 1.00 0.00 H new ATOM 0 HA TYR A 138 9.329 1.329 9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.391 2.869 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.108 2.134 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.844 3.530 8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.954 3.787 6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.236 4.440 7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.395 4.732 4.443 1.00 0.00 H new ATOM 0 HH TYR A 138 8.297 5.427 4.045 1.00 0.00 H new ATOM 2096 N GLU A 139 11.123 -0.097 6.670 1.00 0.00 N ATOM 2097 CA GLU A 139 10.915 -0.926 5.524 1.00 0.00 C ATOM 2098 C GLU A 139 10.283 -2.252 5.776 1.00 0.00 C ATOM 2099 O GLU A 139 9.386 -2.690 5.058 1.00 0.00 O ATOM 2100 CB GLU A 139 12.208 -1.170 4.727 1.00 0.00 C ATOM 2101 CG GLU A 139 12.152 -2.263 3.658 1.00 0.00 C ATOM 2102 CD GLU A 139 13.457 -2.305 2.875 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.743 -1.413 2.032 1.00 0.00 O ATOM 2104 OE2 GLU A 139 14.232 -3.294 2.969 1.00 0.00 O ATOM 0 H GLU A 139 12.099 0.035 6.937 1.00 0.00 H new ATOM 0 HA GLU A 139 10.203 -0.332 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.494 -0.235 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.001 -1.421 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.970 -3.230 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.319 -2.076 2.980 1.00 0.00 H new ATOM 2111 N GLU A 140 10.517 -2.902 6.930 1.00 0.00 N ATOM 2112 CA GLU A 140 9.652 -3.960 7.352 1.00 0.00 C ATOM 2113 C GLU A 140 8.180 -3.734 7.387 1.00 0.00 C ATOM 2114 O GLU A 140 7.406 -4.610 7.003 1.00 0.00 O ATOM 2115 CB GLU A 140 10.014 -4.633 8.686 1.00 0.00 C ATOM 2116 CG GLU A 140 11.494 -4.987 8.847 1.00 0.00 C ATOM 2117 CD GLU A 140 11.838 -5.596 10.199 1.00 0.00 C ATOM 2118 OE1 GLU A 140 11.521 -4.947 11.231 1.00 0.00 O ATOM 2119 OE2 GLU A 140 12.515 -6.658 10.229 1.00 0.00 O ATOM 0 H GLU A 140 11.292 -2.700 7.562 1.00 0.00 H new ATOM 0 HA GLU A 140 9.863 -4.608 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 140 9.723 -3.971 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.424 -5.544 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 140 11.778 -5.687 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.091 -4.086 8.702 1.00 0.00 H new ATOM 2126 N PHE A 141 7.705 -2.573 7.874 1.00 0.00 N ATOM 2127 CA PHE A 141 6.367 -2.077 7.967 1.00 0.00 C ATOM 2128 C PHE A 141 5.805 -1.868 6.603 1.00 0.00 C ATOM 2129 O PHE A 141 4.682 -2.269 6.302 1.00 0.00 O ATOM 2130 CB PHE A 141 6.406 -0.773 8.782 1.00 0.00 C ATOM 2131 CG PHE A 141 5.045 -0.195 8.967 1.00 0.00 C ATOM 2132 CD1 PHE A 141 4.090 -0.737 9.795 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.592 0.818 8.155 1.00 0.00 C ATOM 2134 CE1 PHE A 141 2.836 -0.198 9.963 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.405 1.474 8.376 1.00 0.00 C ATOM 2136 CZ PHE A 141 2.529 0.972 9.310 1.00 0.00 C ATOM 0 H PHE A 141 8.358 -1.889 8.256 1.00 0.00 H new ATOM 0 HA PHE A 141 5.716 -2.792 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.854 -0.967 9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.043 -0.047 8.277 1.00 0.00 H new ATOM 0 HD1 PHE A 141 4.338 -1.634 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.195 1.110 7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 141 2.107 -0.684 10.595 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.163 2.371 7.824 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.608 1.492 9.528 1.00 0.00 H new ATOM 2146 N VAL A 142 6.603 -1.258 5.709 1.00 0.00 N ATOM 2147 CA VAL A 142 6.173 -0.997 4.371 1.00 0.00 C ATOM 2148 C VAL A 142 6.019 -2.213 3.524 1.00 0.00 C ATOM 2149 O VAL A 142 5.100 -2.285 2.710 1.00 0.00 O ATOM 2150 CB VAL A 142 7.012 0.073 3.737 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.741 0.293 2.239 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.699 1.428 4.394 1.00 0.00 C ATOM 0 H VAL A 142 7.551 -0.944 5.915 1.00 0.00 H new ATOM 0 HA VAL A 142 5.156 -0.613 4.445 1.00 0.00 H new ATOM 0 HB VAL A 142 8.039 -0.267 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.391 1.083 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.940 -0.630 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.700 0.581 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.309 2.205 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.644 1.664 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.922 1.376 5.460 1.00 0.00 H new ATOM 2162 N GLN A 143 6.981 -3.144 3.659 1.00 0.00 N ATOM 2163 CA GLN A 143 6.982 -4.398 2.970 1.00 0.00 C ATOM 2164 C GLN A 143 5.815 -5.215 3.406 1.00 0.00 C ATOM 2165 O GLN A 143 5.241 -6.037 2.692 1.00 0.00 O ATOM 2166 CB GLN A 143 8.345 -5.105 3.060 1.00 0.00 C ATOM 2167 CG GLN A 143 9.521 -4.432 2.348 1.00 0.00 C ATOM 2168 CD GLN A 143 9.408 -4.305 0.836 1.00 0.00 C ATOM 2169 OE1 GLN A 143 9.478 -3.244 0.218 1.00 0.00 O ATOM 2170 NE2 GLN A 143 9.217 -5.462 0.145 1.00 0.00 N ATOM 0 H GLN A 143 7.788 -3.019 4.270 1.00 0.00 H new ATOM 0 HA GLN A 143 6.851 -4.229 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 143 8.603 -5.213 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.233 -6.111 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.649 -3.434 2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.427 -4.993 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 143 9.157 -6.350 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.134 -5.441 -0.871 1.00 0.00 H new ATOM 2179 N MET A 144 5.297 -4.986 4.626 1.00 0.00 N ATOM 2180 CA MET A 144 4.064 -5.535 5.099 1.00 0.00 C ATOM 2181 C MET A 144 2.839 -4.944 4.490 1.00 0.00 C ATOM 2182 O MET A 144 1.914 -5.671 4.130 1.00 0.00 O ATOM 2183 CB MET A 144 4.101 -5.476 6.636 1.00 0.00 C ATOM 2184 CG MET A 144 2.912 -6.084 7.384 1.00 0.00 C ATOM 2185 SD MET A 144 1.314 -5.222 7.293 1.00 0.00 S ATOM 2186 CE MET A 144 1.483 -3.759 8.356 1.00 0.00 C ATOM 0 H MET A 144 5.759 -4.391 5.314 1.00 0.00 H new ATOM 0 HA MET A 144 3.983 -6.571 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.007 -5.981 6.973 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.189 -4.431 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.766 -7.098 7.011 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.187 -6.168 8.436 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.552 -3.193 8.346 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.706 -4.074 9.376 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.293 -3.131 7.985 1.00 0.00 H new ATOM 2196 N MET A 145 2.831 -3.626 4.223 1.00 0.00 N ATOM 2197 CA MET A 145 1.800 -2.927 3.520 1.00 0.00 C ATOM 2198 C MET A 145 1.726 -3.261 2.070 1.00 0.00 C ATOM 2199 O MET A 145 0.625 -3.552 1.606 1.00 0.00 O ATOM 2200 CB MET A 145 1.875 -1.423 3.837 1.00 0.00 C ATOM 2201 CG MET A 145 1.321 -1.224 5.249 1.00 0.00 C ATOM 2202 SD MET A 145 1.047 0.484 5.809 1.00 0.00 S ATOM 2203 CE MET A 145 0.032 0.001 7.235 1.00 0.00 C ATOM 0 H MET A 145 3.591 -3.012 4.516 1.00 0.00 H new ATOM 0 HA MET A 145 0.837 -3.281 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.904 -1.069 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.296 -0.849 3.113 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.372 -1.757 5.316 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.006 -1.702 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.238 0.889 7.807 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.873 -0.495 6.886 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.598 -0.681 7.870 1.00 0.00 H new