USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 38 SER OG : rot 89:sc= 0.0142 USER MOD Set 1.2: A 42 MET CE :methyl -121:sc= -0.375 (180deg=-1.63) USER MOD Set 2.1: A 1 MET N :NH3+ 163:sc= 0.158 (180deg=0) USER MOD Set 2.2: A 4 THR OG1 : rot -178:sc= 0.175 USER MOD Single : A 1 MET CE :methyl 164:sc= -1.44 (180deg=-1.85) USER MOD Single : A 2 ASN : amide:sc= -0.703 K(o=-0.7,f=-4.5!) USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= -1.73 (180deg=-4.1!) USER MOD Single : A 14 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.21) USER MOD Single : A 17 THR OG1 : rot 133:sc= 0.888 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.916 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.14) USER MOD Single : A 56 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.425 K(o=-0.43,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -160:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00694 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.806 (180deg=0.799) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.0464 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0.501 (180deg=0.497) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.474 -0.338 11.284 1.00 0.00 N ATOM 2 CA MET A 1 2.012 -0.300 9.902 1.00 0.00 C ATOM 3 C MET A 1 1.106 -1.047 8.927 1.00 0.00 C ATOM 4 O MET A 1 0.541 -0.434 8.033 1.00 0.00 O ATOM 5 CB MET A 1 3.443 -0.863 9.846 1.00 0.00 C ATOM 6 CG MET A 1 4.498 0.108 10.364 1.00 0.00 C ATOM 7 SD MET A 1 6.124 -0.654 10.555 1.00 0.00 S ATOM 8 CE MET A 1 6.505 -1.091 8.861 1.00 0.00 C ATOM 0 H1 MET A 1 2.226 -0.086 11.956 1.00 0.00 H new ATOM 0 H2 MET A 1 0.691 0.341 11.370 1.00 0.00 H new ATOM 0 H3 MET A 1 1.127 -1.295 11.495 1.00 0.00 H new ATOM 0 HA MET A 1 2.043 0.746 9.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.487 -1.781 10.431 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.680 -1.130 8.816 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.576 0.951 9.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.175 0.508 11.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.570 -1.304 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.933 -1.974 8.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.244 -0.261 8.204 1.00 0.00 H new ATOM 17 N ASN A 2 0.951 -2.362 9.105 1.00 0.00 N ATOM 18 CA ASN A 2 0.178 -3.181 8.154 1.00 0.00 C ATOM 19 C ASN A 2 -1.219 -2.597 7.910 1.00 0.00 C ATOM 20 O ASN A 2 -1.633 -2.408 6.763 1.00 0.00 O ATOM 21 CB ASN A 2 0.070 -4.639 8.634 1.00 0.00 C ATOM 22 CG ASN A 2 -0.630 -4.775 9.975 1.00 0.00 C ATOM 23 OD1 ASN A 2 -1.855 -4.891 10.045 1.00 0.00 O ATOM 24 ND2 ASN A 2 0.140 -4.765 11.049 1.00 0.00 N ATOM 0 H ASN A 2 1.344 -2.882 9.889 1.00 0.00 H new ATOM 0 HA ASN A 2 0.719 -3.168 7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.471 -5.222 7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.070 -5.066 8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.276 -4.855 11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.151 -4.667 10.951 1.00 0.00 H new ATOM 31 N ALA A 3 -1.929 -2.289 8.992 1.00 0.00 N ATOM 32 CA ALA A 3 -3.268 -1.713 8.896 1.00 0.00 C ATOM 33 C ALA A 3 -3.183 -0.273 8.417 1.00 0.00 C ATOM 34 O ALA A 3 -3.982 0.170 7.595 1.00 0.00 O ATOM 35 CB ALA A 3 -3.980 -1.789 10.241 1.00 0.00 C ATOM 0 H ALA A 3 -1.599 -2.429 9.947 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.845 -2.288 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.976 -1.355 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.065 -2.831 10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.409 -1.235 10.987 1.00 0.00 H new ATOM 41 N THR A 4 -2.187 0.437 8.929 1.00 0.00 N ATOM 42 CA THR A 4 -1.927 1.822 8.555 1.00 0.00 C ATOM 43 C THR A 4 -1.830 1.964 7.032 1.00 0.00 C ATOM 44 O THR A 4 -2.401 2.882 6.433 1.00 0.00 O ATOM 45 CB THR A 4 -0.596 2.287 9.191 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.571 1.934 10.582 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.393 3.788 9.035 1.00 0.00 C ATOM 0 H THR A 4 -1.533 0.067 9.619 1.00 0.00 H new ATOM 0 HA THR A 4 -2.751 2.437 8.915 1.00 0.00 H new ATOM 0 HB THR A 4 0.218 1.784 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.261 2.258 10.987 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.552 4.077 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.375 4.045 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.211 4.318 9.523 1.00 0.00 H new ATOM 55 N ILE A 5 -1.112 1.025 6.427 1.00 0.00 N ATOM 56 CA ILE A 5 -0.862 1.012 4.991 1.00 0.00 C ATOM 57 C ILE A 5 -2.140 0.718 4.211 1.00 0.00 C ATOM 58 O ILE A 5 -2.572 1.530 3.398 1.00 0.00 O ATOM 59 CB ILE A 5 0.226 -0.035 4.634 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.550 0.322 5.338 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.424 -0.126 3.118 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.534 -0.827 5.421 1.00 0.00 C ATOM 0 H ILE A 5 -0.683 0.244 6.924 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.507 2.003 4.709 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.105 -1.013 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.019 1.151 4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.330 0.672 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.192 -0.867 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.513 -0.421 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.734 0.845 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.439 -0.495 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.086 -1.650 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.786 -1.164 4.415 1.00 0.00 H new ATOM 74 N ARG A 6 -2.758 -0.431 4.475 1.00 0.00 N ATOM 75 CA ARG A 6 -3.958 -0.833 3.738 1.00 0.00 C ATOM 76 C ARG A 6 -5.061 0.221 3.894 1.00 0.00 C ATOM 77 O ARG A 6 -5.879 0.425 2.997 1.00 0.00 O ATOM 78 CB ARG A 6 -4.466 -2.209 4.213 1.00 0.00 C ATOM 79 CG ARG A 6 -5.083 -2.202 5.610 1.00 0.00 C ATOM 80 CD ARG A 6 -5.628 -3.572 6.011 1.00 0.00 C ATOM 81 NE ARG A 6 -4.563 -4.535 6.316 1.00 0.00 N ATOM 82 CZ ARG A 6 -4.283 -4.977 7.545 1.00 0.00 C ATOM 83 NH1 ARG A 6 -4.955 -4.509 8.593 1.00 0.00 N ATOM 84 NH2 ARG A 6 -3.329 -5.882 7.721 1.00 0.00 N ATOM 0 H ARG A 6 -2.453 -1.096 5.186 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.693 -0.913 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.207 -2.575 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.636 -2.915 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.332 -1.886 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.889 -1.469 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.273 -3.461 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.247 -3.964 5.204 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.002 -4.889 5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.686 -3.811 8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.739 -4.848 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.811 -6.239 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.114 -6.221 8.659 1.00 0.00 H new ATOM 98 N GLU A 7 -5.050 0.897 5.041 1.00 0.00 N ATOM 99 CA GLU A 7 -6.040 1.923 5.358 1.00 0.00 C ATOM 100 C GLU A 7 -5.843 3.174 4.506 1.00 0.00 C ATOM 101 O GLU A 7 -6.817 3.772 4.037 1.00 0.00 O ATOM 102 CB GLU A 7 -5.953 2.278 6.848 1.00 0.00 C ATOM 103 CG GLU A 7 -6.827 3.454 7.272 1.00 0.00 C ATOM 104 CD GLU A 7 -6.749 3.725 8.763 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.772 4.370 9.207 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.657 3.282 9.502 1.00 0.00 O ATOM 0 H GLU A 7 -4.357 0.749 5.774 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.029 1.524 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.235 1.403 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.916 2.506 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.520 4.346 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.862 3.252 6.996 1.00 0.00 H new ATOM 113 N ILE A 8 -4.587 3.565 4.289 1.00 0.00 N ATOM 114 CA ILE A 8 -4.299 4.811 3.585 1.00 0.00 C ATOM 115 C ILE A 8 -4.870 4.778 2.166 1.00 0.00 C ATOM 116 O ILE A 8 -5.260 5.810 1.622 1.00 0.00 O ATOM 117 CB ILE A 8 -2.787 5.150 3.536 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.613 6.649 3.258 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.063 4.322 2.476 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.179 7.107 3.194 1.00 0.00 C ATOM 0 H ILE A 8 -3.763 3.043 4.587 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.786 5.600 4.158 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.343 4.903 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.101 6.890 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.128 7.213 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.005 4.585 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.172 3.262 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.495 4.527 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.148 8.178 2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.688 6.901 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.662 6.574 2.396 1.00 0.00 H new ATOM 132 N LEU A 9 -4.913 3.584 1.572 1.00 0.00 N ATOM 133 CA LEU A 9 -5.468 3.402 0.227 1.00 0.00 C ATOM 134 C LEU A 9 -6.872 3.998 0.120 1.00 0.00 C ATOM 135 O LEU A 9 -7.283 4.446 -0.948 1.00 0.00 O ATOM 136 CB LEU A 9 -5.502 1.910 -0.156 1.00 0.00 C ATOM 137 CG LEU A 9 -4.183 1.322 -0.691 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.771 2.014 -1.988 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.070 1.422 0.350 1.00 0.00 C ATOM 0 H LEU A 9 -4.569 2.725 2.002 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.815 3.930 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.804 1.337 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.274 1.766 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.350 0.266 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.837 1.584 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.549 1.874 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.633 3.079 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.152 0.999 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.905 2.468 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.358 0.870 1.245 1.00 0.00 H new ATOM 151 N ALA A 10 -7.597 4.009 1.232 1.00 0.00 N ATOM 152 CA ALA A 10 -8.963 4.520 1.256 1.00 0.00 C ATOM 153 C ALA A 10 -8.997 6.047 1.156 1.00 0.00 C ATOM 154 O ALA A 10 -9.853 6.614 0.472 1.00 0.00 O ATOM 155 CB ALA A 10 -9.673 4.050 2.522 1.00 0.00 C ATOM 0 H ALA A 10 -7.260 3.668 2.133 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.486 4.125 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.692 4.436 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.697 2.960 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.137 4.417 3.397 1.00 0.00 H new ATOM 161 N LYS A 11 -8.052 6.708 1.820 1.00 0.00 N ATOM 162 CA LYS A 11 -8.088 8.169 1.969 1.00 0.00 C ATOM 163 C LYS A 11 -7.059 8.884 1.080 1.00 0.00 C ATOM 164 O LYS A 11 -7.157 10.092 0.862 1.00 0.00 O ATOM 165 CB LYS A 11 -7.889 8.540 3.448 1.00 0.00 C ATOM 166 CG LYS A 11 -6.635 7.943 4.081 1.00 0.00 C ATOM 167 CD LYS A 11 -6.572 8.173 5.597 1.00 0.00 C ATOM 168 CE LYS A 11 -6.275 9.627 5.975 1.00 0.00 C ATOM 169 NZ LYS A 11 -7.372 10.564 5.603 1.00 0.00 N ATOM 0 H LYS A 11 -7.251 6.260 2.265 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.067 8.511 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.845 9.626 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.760 8.210 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.605 6.872 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.753 8.381 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.521 7.875 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.803 7.529 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.102 9.689 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.354 9.943 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.502 11.265 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.126 11.052 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.255 10.030 5.470 1.00 0.00 H new ATOM 183 N PHE A 12 -6.083 8.146 0.565 1.00 0.00 N ATOM 184 CA PHE A 12 -5.061 8.719 -0.323 1.00 0.00 C ATOM 185 C PHE A 12 -4.951 7.921 -1.616 1.00 0.00 C ATOM 186 O PHE A 12 -4.712 8.484 -2.684 1.00 0.00 O ATOM 187 CB PHE A 12 -3.691 8.775 0.371 1.00 0.00 C ATOM 188 CG PHE A 12 -3.547 9.916 1.349 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.136 11.169 0.914 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.818 9.739 2.696 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.002 12.216 1.804 1.00 0.00 C ATOM 192 CE2 PHE A 12 -3.684 10.783 3.590 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.276 12.022 3.144 1.00 0.00 C ATOM 0 H PHE A 12 -5.972 7.148 0.743 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.372 9.736 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.522 7.835 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.913 8.860 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.919 11.326 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.139 8.771 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.683 13.186 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.899 10.629 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.171 12.840 3.841 1.00 0.00 H new ATOM 203 N GLY A 13 -5.114 6.608 -1.511 1.00 0.00 N ATOM 204 CA GLY A 13 -5.032 5.752 -2.680 1.00 0.00 C ATOM 205 C GLY A 13 -6.087 6.098 -3.713 1.00 0.00 C ATOM 206 O GLY A 13 -7.282 5.902 -3.479 1.00 0.00 O ATOM 0 H GLY A 13 -5.302 6.119 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.042 5.844 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.149 4.712 -2.376 1.00 0.00 H new ATOM 210 N GLN A 14 -5.649 6.632 -4.850 1.00 0.00 N ATOM 211 CA GLN A 14 -6.556 6.991 -5.936 1.00 0.00 C ATOM 212 C GLN A 14 -6.994 5.734 -6.693 1.00 0.00 C ATOM 213 O GLN A 14 -6.612 5.507 -7.847 1.00 0.00 O ATOM 214 CB GLN A 14 -5.887 8.010 -6.876 1.00 0.00 C ATOM 215 CG GLN A 14 -6.785 8.503 -8.008 1.00 0.00 C ATOM 216 CD GLN A 14 -8.116 9.036 -7.509 1.00 0.00 C ATOM 217 OE1 GLN A 14 -9.092 8.294 -7.392 1.00 0.00 O ATOM 218 NE2 GLN A 14 -8.167 10.324 -7.211 1.00 0.00 N ATOM 0 H GLN A 14 -4.667 6.826 -5.043 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.447 7.460 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.558 8.867 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.994 7.558 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.268 9.287 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.964 7.686 -8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.337 10.906 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.037 10.735 -6.871 1.00 0.00 H new ATOM 227 N LEU A 15 -7.764 4.901 -6.008 1.00 0.00 N ATOM 228 CA LEU A 15 -8.270 3.653 -6.564 1.00 0.00 C ATOM 229 C LEU A 15 -9.677 3.882 -7.129 1.00 0.00 C ATOM 230 O LEU A 15 -10.528 4.456 -6.445 1.00 0.00 O ATOM 231 CB LEU A 15 -8.297 2.579 -5.460 1.00 0.00 C ATOM 232 CG LEU A 15 -8.537 1.132 -5.927 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.387 0.644 -6.800 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.729 0.204 -4.730 1.00 0.00 C ATOM 0 H LEU A 15 -8.057 5.072 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.621 3.312 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.348 2.614 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.076 2.842 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.448 1.118 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.580 -0.381 -7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.299 1.285 -7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.458 0.678 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.897 -0.814 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.837 0.229 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.590 0.534 -4.148 1.00 0.00 H new ATOM 246 N PRO A 16 -9.950 3.439 -8.373 1.00 0.00 N ATOM 247 CA PRO A 16 -11.260 3.638 -9.009 1.00 0.00 C ATOM 248 C PRO A 16 -12.314 2.720 -8.399 1.00 0.00 C ATOM 249 O PRO A 16 -13.520 2.914 -8.575 1.00 0.00 O ATOM 250 CB PRO A 16 -11.003 3.271 -10.474 1.00 0.00 C ATOM 251 CG PRO A 16 -9.861 2.310 -10.439 1.00 0.00 C ATOM 252 CD PRO A 16 -9.020 2.686 -9.245 1.00 0.00 C ATOM 0 HA PRO A 16 -11.642 4.651 -8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.885 2.819 -10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.758 4.154 -11.064 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.220 1.284 -10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.277 2.368 -11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.626 1.804 -8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.164 3.295 -9.536 1.00 0.00 H new ATOM 260 N THR A 17 -11.828 1.726 -7.680 1.00 0.00 N ATOM 261 CA THR A 17 -12.644 0.715 -7.052 1.00 0.00 C ATOM 262 C THR A 17 -12.626 0.910 -5.530 1.00 0.00 C ATOM 263 O THR A 17 -11.593 1.280 -4.971 1.00 0.00 O ATOM 264 CB THR A 17 -12.079 -0.667 -7.445 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.324 -0.913 -8.837 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.659 -1.792 -6.608 1.00 0.00 C ATOM 0 H THR A 17 -10.829 1.600 -7.515 1.00 0.00 H new ATOM 0 HA THR A 17 -13.680 0.789 -7.384 1.00 0.00 H new ATOM 0 HB THR A 17 -11.006 -0.646 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.502 -1.236 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.228 -2.741 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.426 -1.621 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.741 -1.823 -6.739 1.00 0.00 H new ATOM 274 N PRO A 18 -13.766 0.695 -4.841 1.00 0.00 N ATOM 275 CA PRO A 18 -13.850 0.879 -3.387 1.00 0.00 C ATOM 276 C PRO A 18 -12.849 -0.003 -2.637 1.00 0.00 C ATOM 277 O PRO A 18 -12.790 -1.215 -2.847 1.00 0.00 O ATOM 278 CB PRO A 18 -15.298 0.487 -3.039 1.00 0.00 C ATOM 279 CG PRO A 18 -15.806 -0.263 -4.227 1.00 0.00 C ATOM 280 CD PRO A 18 -15.051 0.264 -5.418 1.00 0.00 C ATOM 0 HA PRO A 18 -13.605 1.900 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.332 -0.130 -2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.907 1.369 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.644 -1.334 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.879 -0.114 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.913 -0.504 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.577 1.092 -5.893 1.00 0.00 H new ATOM 288 N VAL A 19 -12.076 0.614 -1.747 1.00 0.00 N ATOM 289 CA VAL A 19 -11.047 -0.093 -0.983 1.00 0.00 C ATOM 290 C VAL A 19 -11.677 -1.042 0.047 1.00 0.00 C ATOM 291 O VAL A 19 -10.990 -1.842 0.682 1.00 0.00 O ATOM 292 CB VAL A 19 -10.093 0.912 -0.279 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.929 0.198 0.413 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.577 1.943 -1.283 1.00 0.00 C ATOM 0 H VAL A 19 -12.142 1.609 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.464 -0.690 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.662 1.428 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.285 0.934 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.319 -0.489 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.354 -0.361 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.910 2.641 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.034 1.435 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.419 2.489 -1.709 1.00 0.00 H new ATOM 304 N ASP A 20 -12.996 -0.969 0.180 1.00 0.00 N ATOM 305 CA ASP A 20 -13.734 -1.841 1.095 1.00 0.00 C ATOM 306 C ASP A 20 -14.050 -3.147 0.381 1.00 0.00 C ATOM 307 O ASP A 20 -14.300 -4.184 0.998 1.00 0.00 O ATOM 308 CB ASP A 20 -15.024 -1.154 1.561 1.00 0.00 C ATOM 309 CG ASP A 20 -15.822 -1.998 2.545 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.427 -2.066 3.728 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.855 -2.580 2.144 1.00 0.00 O ATOM 0 H ASP A 20 -13.582 -0.312 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.127 -2.048 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.774 -0.201 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.645 -0.932 0.693 1.00 0.00 H new ATOM 316 N THR A 21 -14.012 -3.064 -0.941 1.00 0.00 N ATOM 317 CA THR A 21 -14.235 -4.192 -1.822 1.00 0.00 C ATOM 318 C THR A 21 -13.000 -5.103 -1.869 1.00 0.00 C ATOM 319 O THR A 21 -13.105 -6.303 -2.139 1.00 0.00 O ATOM 320 CB THR A 21 -14.603 -3.661 -3.232 1.00 0.00 C ATOM 321 OG1 THR A 21 -16.006 -3.388 -3.301 1.00 0.00 O ATOM 322 CG2 THR A 21 -14.199 -4.613 -4.343 1.00 0.00 C ATOM 0 H THR A 21 -13.822 -2.193 -1.437 1.00 0.00 H new ATOM 0 HA THR A 21 -15.060 -4.796 -1.443 1.00 0.00 H new ATOM 0 HB THR A 21 -14.039 -2.741 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.289 -3.364 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.482 -4.189 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.120 -4.766 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.705 -5.569 -4.205 1.00 0.00 H new ATOM 330 N ILE A 22 -11.832 -4.530 -1.589 1.00 0.00 N ATOM 331 CA ILE A 22 -10.588 -5.298 -1.527 1.00 0.00 C ATOM 332 C ILE A 22 -10.230 -5.601 -0.073 1.00 0.00 C ATOM 333 O ILE A 22 -10.955 -5.210 0.847 1.00 0.00 O ATOM 334 CB ILE A 22 -9.410 -4.557 -2.216 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.245 -3.141 -1.638 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.620 -4.508 -3.731 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.101 -2.356 -2.246 1.00 0.00 C ATOM 0 H ILE A 22 -11.719 -3.534 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.754 -6.230 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.492 -5.110 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.172 -2.588 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.090 -3.215 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.785 -3.985 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.677 -5.523 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.548 -3.981 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.052 -1.369 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.164 -2.885 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.263 -2.248 -3.318 1.00 0.00 H new ATOM 349 N ALA A 23 -9.120 -6.298 0.132 1.00 0.00 N ATOM 350 CA ALA A 23 -8.696 -6.709 1.466 1.00 0.00 C ATOM 351 C ALA A 23 -7.190 -6.949 1.498 1.00 0.00 C ATOM 352 O ALA A 23 -6.537 -6.958 0.452 1.00 0.00 O ATOM 353 CB ALA A 23 -9.452 -7.961 1.903 1.00 0.00 C ATOM 0 H ALA A 23 -8.491 -6.593 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.928 -5.907 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.124 -8.255 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.522 -7.753 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.251 -8.771 1.202 1.00 0.00 H new ATOM 359 N ASP A 24 -6.659 -7.166 2.698 1.00 0.00 N ATOM 360 CA ASP A 24 -5.217 -7.328 2.909 1.00 0.00 C ATOM 361 C ASP A 24 -4.643 -8.452 2.043 1.00 0.00 C ATOM 362 O ASP A 24 -3.583 -8.306 1.426 1.00 0.00 O ATOM 363 CB ASP A 24 -4.942 -7.618 4.393 1.00 0.00 C ATOM 364 CG ASP A 24 -3.457 -7.681 4.724 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.847 -8.757 4.553 1.00 0.00 O ATOM 366 OD2 ASP A 24 -2.902 -6.656 5.173 1.00 0.00 O ATOM 0 H ASP A 24 -7.212 -7.235 3.552 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.726 -6.400 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.411 -6.845 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.409 -8.565 4.665 1.00 0.00 H new ATOM 371 N GLU A 25 -5.359 -9.572 2.001 1.00 0.00 N ATOM 372 CA GLU A 25 -4.905 -10.762 1.281 1.00 0.00 C ATOM 373 C GLU A 25 -5.496 -10.837 -0.127 1.00 0.00 C ATOM 374 O GLU A 25 -5.315 -11.837 -0.831 1.00 0.00 O ATOM 375 CB GLU A 25 -5.282 -12.018 2.074 1.00 0.00 C ATOM 376 CG GLU A 25 -4.804 -11.984 3.519 1.00 0.00 C ATOM 377 CD GLU A 25 -4.946 -13.320 4.224 1.00 0.00 C ATOM 378 OE1 GLU A 25 -6.009 -13.577 4.826 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.989 -14.116 4.190 1.00 0.00 O ATOM 0 H GLU A 25 -6.263 -9.682 2.460 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.822 -10.698 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.365 -12.137 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.859 -12.892 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.758 -11.677 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.370 -11.230 4.065 1.00 0.00 H new ATOM 386 N ALA A 26 -6.186 -9.779 -0.541 1.00 0.00 N ATOM 387 CA ALA A 26 -6.840 -9.751 -1.848 1.00 0.00 C ATOM 388 C ALA A 26 -5.885 -9.251 -2.928 1.00 0.00 C ATOM 389 O ALA A 26 -4.765 -8.829 -2.640 1.00 0.00 O ATOM 390 CB ALA A 26 -8.090 -8.880 -1.797 1.00 0.00 C ATOM 0 H ALA A 26 -6.308 -8.929 0.009 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.133 -10.770 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.566 -8.869 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.785 -9.284 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.814 -7.864 -1.516 1.00 0.00 H new ATOM 396 N ASP A 27 -6.338 -9.308 -4.173 1.00 0.00 N ATOM 397 CA ASP A 27 -5.546 -8.857 -5.314 1.00 0.00 C ATOM 398 C ASP A 27 -5.750 -7.359 -5.555 1.00 0.00 C ATOM 399 O ASP A 27 -6.660 -6.941 -6.271 1.00 0.00 O ATOM 400 CB ASP A 27 -5.883 -9.683 -6.575 1.00 0.00 C ATOM 401 CG ASP A 27 -7.379 -9.814 -6.872 1.00 0.00 C ATOM 402 OD1 ASP A 27 -8.216 -9.317 -6.085 1.00 0.00 O ATOM 403 OD2 ASP A 27 -7.723 -10.437 -7.899 1.00 0.00 O ATOM 0 H ASP A 27 -7.260 -9.666 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.492 -9.016 -5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.394 -9.224 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.460 -10.681 -6.463 1.00 0.00 H new ATOM 408 N LEU A 28 -4.875 -6.559 -4.949 1.00 0.00 N ATOM 409 CA LEU A 28 -4.991 -5.098 -4.977 1.00 0.00 C ATOM 410 C LEU A 28 -4.907 -4.577 -6.413 1.00 0.00 C ATOM 411 O LEU A 28 -5.734 -3.773 -6.854 1.00 0.00 O ATOM 412 CB LEU A 28 -3.884 -4.437 -4.127 1.00 0.00 C ATOM 413 CG LEU A 28 -3.830 -4.810 -2.626 1.00 0.00 C ATOM 414 CD1 LEU A 28 -5.222 -4.792 -2.002 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.145 -6.160 -2.402 1.00 0.00 C ATOM 0 H LEU A 28 -4.068 -6.901 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.962 -4.838 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.921 -4.687 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.999 -3.356 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.228 -4.051 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.151 -5.058 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.650 -3.794 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.860 -5.511 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.127 -6.386 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.696 -6.939 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.124 -6.117 -2.781 1.00 0.00 H new ATOM 427 N TYR A 29 -3.894 -5.049 -7.131 1.00 0.00 N ATOM 428 CA TYR A 29 -3.647 -4.641 -8.513 1.00 0.00 C ATOM 429 C TYR A 29 -4.869 -4.887 -9.402 1.00 0.00 C ATOM 430 O TYR A 29 -5.176 -4.079 -10.282 1.00 0.00 O ATOM 431 CB TYR A 29 -2.415 -5.378 -9.070 1.00 0.00 C ATOM 432 CG TYR A 29 -2.426 -6.882 -8.829 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.010 -7.412 -7.611 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.848 -7.770 -9.815 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.017 -8.772 -7.384 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.855 -9.135 -9.590 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.439 -9.629 -8.374 1.00 0.00 C ATOM 438 OH TYR A 29 -2.442 -10.986 -8.143 1.00 0.00 O ATOM 0 H TYR A 29 -3.220 -5.725 -6.773 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.452 -3.569 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.349 -5.194 -10.142 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.518 -4.955 -8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.676 -6.746 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.175 -7.387 -10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.692 -9.164 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.185 -9.810 -10.365 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.769 -11.453 -8.940 1.00 0.00 H new ATOM 448 N ALA A 30 -5.580 -5.982 -9.146 1.00 0.00 N ATOM 449 CA ALA A 30 -6.723 -6.371 -9.972 1.00 0.00 C ATOM 450 C ALA A 30 -7.884 -5.394 -9.811 1.00 0.00 C ATOM 451 O ALA A 30 -8.685 -5.214 -10.732 1.00 0.00 O ATOM 452 CB ALA A 30 -7.170 -7.785 -9.631 1.00 0.00 C ATOM 0 H ALA A 30 -5.386 -6.617 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.405 -6.344 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.021 -8.058 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.350 -8.480 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.460 -7.832 -8.581 1.00 0.00 H new ATOM 458 N ALA A 31 -7.971 -4.769 -8.638 1.00 0.00 N ATOM 459 CA ALA A 31 -9.006 -3.771 -8.367 1.00 0.00 C ATOM 460 C ALA A 31 -8.780 -2.524 -9.215 1.00 0.00 C ATOM 461 O ALA A 31 -9.694 -1.727 -9.432 1.00 0.00 O ATOM 462 CB ALA A 31 -9.020 -3.409 -6.888 1.00 0.00 C ATOM 0 H ALA A 31 -7.336 -4.936 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.974 -4.198 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.795 -2.666 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.224 -4.302 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.050 -3.000 -6.604 1.00 0.00 H new ATOM 468 N GLY A 32 -7.546 -2.363 -9.679 1.00 0.00 N ATOM 469 CA GLY A 32 -7.200 -1.246 -10.543 1.00 0.00 C ATOM 470 C GLY A 32 -6.158 -0.340 -9.921 1.00 0.00 C ATOM 471 O GLY A 32 -6.099 0.852 -10.231 1.00 0.00 O ATOM 0 H GLY A 32 -6.771 -2.992 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.826 -1.627 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.097 -0.667 -10.762 1.00 0.00 H new ATOM 475 N LEU A 33 -5.341 -0.902 -9.031 1.00 0.00 N ATOM 476 CA LEU A 33 -4.281 -0.141 -8.380 1.00 0.00 C ATOM 477 C LEU A 33 -3.301 0.383 -9.428 1.00 0.00 C ATOM 478 O LEU A 33 -2.512 -0.376 -9.991 1.00 0.00 O ATOM 479 CB LEU A 33 -3.550 -1.010 -7.345 1.00 0.00 C ATOM 480 CG LEU A 33 -2.441 -0.297 -6.547 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.009 0.878 -5.751 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.723 -1.279 -5.621 1.00 0.00 C ATOM 0 H LEU A 33 -5.394 -1.880 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.725 0.706 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.285 -1.403 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.111 -1.865 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.715 0.096 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.206 1.364 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.464 1.595 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.763 0.514 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.944 -0.754 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.439 -1.709 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.273 -2.075 -6.214 1.00 0.00 H new ATOM 494 N SER A 34 -3.376 1.681 -9.695 1.00 0.00 N ATOM 495 CA SER A 34 -2.541 2.312 -10.707 1.00 0.00 C ATOM 496 C SER A 34 -1.299 2.924 -10.062 1.00 0.00 C ATOM 497 O SER A 34 -1.260 3.119 -8.842 1.00 0.00 O ATOM 498 CB SER A 34 -3.353 3.385 -11.439 1.00 0.00 C ATOM 499 OG SER A 34 -4.593 2.859 -11.890 1.00 0.00 O ATOM 0 H SER A 34 -4.012 2.321 -9.220 1.00 0.00 H new ATOM 0 HA SER A 34 -2.214 1.561 -11.426 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.532 4.229 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.783 3.763 -12.288 1.00 0.00 H new ATOM 0 HG SER A 34 -5.097 3.560 -12.353 1.00 0.00 H new ATOM 505 N SER A 35 -0.298 3.229 -10.881 1.00 0.00 N ATOM 506 CA SER A 35 0.960 3.785 -10.404 1.00 0.00 C ATOM 507 C SER A 35 0.723 5.064 -9.598 1.00 0.00 C ATOM 508 O SER A 35 1.359 5.284 -8.566 1.00 0.00 O ATOM 509 CB SER A 35 1.880 4.064 -11.597 1.00 0.00 C ATOM 510 OG SER A 35 1.973 2.922 -12.432 1.00 0.00 O ATOM 0 H SER A 35 -0.337 3.098 -11.892 1.00 0.00 H new ATOM 0 HA SER A 35 1.437 3.061 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.497 4.909 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.872 4.343 -11.241 1.00 0.00 H new ATOM 0 HG SER A 35 2.563 3.118 -13.190 1.00 0.00 H new ATOM 516 N PHE A 36 -0.210 5.892 -10.069 1.00 0.00 N ATOM 517 CA PHE A 36 -0.546 7.142 -9.392 1.00 0.00 C ATOM 518 C PHE A 36 -1.067 6.866 -7.981 1.00 0.00 C ATOM 519 O PHE A 36 -0.591 7.453 -7.009 1.00 0.00 O ATOM 520 CB PHE A 36 -1.587 7.932 -10.199 1.00 0.00 C ATOM 521 CG PHE A 36 -1.944 9.269 -9.589 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.070 10.345 -9.684 1.00 0.00 C ATOM 523 CD2 PHE A 36 -3.149 9.448 -8.921 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.392 11.568 -9.126 1.00 0.00 C ATOM 525 CE2 PHE A 36 -3.473 10.670 -8.362 1.00 0.00 C ATOM 526 CZ PHE A 36 -2.594 11.731 -8.465 1.00 0.00 C ATOM 0 H PHE A 36 -0.747 5.718 -10.919 1.00 0.00 H new ATOM 0 HA PHE A 36 0.361 7.742 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.206 8.093 -11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.492 7.332 -10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.129 10.224 -10.200 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.841 8.623 -8.838 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.704 12.396 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.413 10.795 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.846 12.686 -8.029 1.00 0.00 H new ATOM 536 N ALA A 37 -2.040 5.963 -7.878 1.00 0.00 N ATOM 537 CA ALA A 37 -2.605 5.580 -6.586 1.00 0.00 C ATOM 538 C ALA A 37 -1.528 5.009 -5.670 1.00 0.00 C ATOM 539 O ALA A 37 -1.518 5.272 -4.465 1.00 0.00 O ATOM 540 CB ALA A 37 -3.729 4.565 -6.772 1.00 0.00 C ATOM 0 H ALA A 37 -2.454 5.482 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.015 6.475 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.137 4.292 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.516 5.002 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.338 3.675 -7.264 1.00 0.00 H new ATOM 546 N SER A 38 -0.618 4.238 -6.257 1.00 0.00 N ATOM 547 CA SER A 38 0.447 3.590 -5.507 1.00 0.00 C ATOM 548 C SER A 38 1.396 4.634 -4.911 1.00 0.00 C ATOM 549 O SER A 38 1.590 4.686 -3.697 1.00 0.00 O ATOM 550 CB SER A 38 1.215 2.614 -6.413 1.00 0.00 C ATOM 551 OG SER A 38 2.197 1.895 -5.687 1.00 0.00 O ATOM 0 H SER A 38 -0.599 4.047 -7.259 1.00 0.00 H new ATOM 0 HA SER A 38 0.003 3.026 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.516 1.915 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.691 3.166 -7.223 1.00 0.00 H new ATOM 0 HG SER A 38 1.800 1.076 -5.323 1.00 0.00 H new ATOM 557 N VAL A 39 1.949 5.493 -5.764 1.00 0.00 N ATOM 558 CA VAL A 39 2.902 6.508 -5.316 1.00 0.00 C ATOM 559 C VAL A 39 2.223 7.506 -4.376 1.00 0.00 C ATOM 560 O VAL A 39 2.858 8.066 -3.479 1.00 0.00 O ATOM 561 CB VAL A 39 3.550 7.257 -6.513 1.00 0.00 C ATOM 562 CG1 VAL A 39 2.514 8.072 -7.287 1.00 0.00 C ATOM 563 CG2 VAL A 39 4.705 8.142 -6.043 1.00 0.00 C ATOM 0 H VAL A 39 1.755 5.508 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 39 3.696 5.993 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 39 3.954 6.507 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.000 8.584 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.742 7.406 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.060 8.808 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.142 8.655 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.333 8.878 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.465 7.525 -5.564 1.00 0.00 H new ATOM 573 N GLN A 40 0.921 7.696 -4.569 1.00 0.00 N ATOM 574 CA GLN A 40 0.150 8.628 -3.757 1.00 0.00 C ATOM 575 C GLN A 40 0.075 8.148 -2.309 1.00 0.00 C ATOM 576 O GLN A 40 0.243 8.935 -1.373 1.00 0.00 O ATOM 577 CB GLN A 40 -1.265 8.797 -4.333 1.00 0.00 C ATOM 578 CG GLN A 40 -2.067 9.920 -3.682 1.00 0.00 C ATOM 579 CD GLN A 40 -1.451 11.295 -3.900 1.00 0.00 C ATOM 580 OE1 GLN A 40 -1.576 12.185 -3.058 1.00 0.00 O ATOM 581 NE2 GLN A 40 -0.793 11.484 -5.038 1.00 0.00 N ATOM 0 H GLN A 40 0.377 7.214 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 40 0.654 9.594 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.190 8.990 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.809 7.860 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.081 9.914 -4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.146 9.729 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.710 10.723 -5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.370 12.390 -5.238 1.00 0.00 H new ATOM 590 N LEU A 41 -0.162 6.849 -2.126 1.00 0.00 N ATOM 591 CA LEU A 41 -0.283 6.277 -0.788 1.00 0.00 C ATOM 592 C LEU A 41 1.062 6.365 -0.064 1.00 0.00 C ATOM 593 O LEU A 41 1.114 6.466 1.160 1.00 0.00 O ATOM 594 CB LEU A 41 -0.794 4.817 -0.861 1.00 0.00 C ATOM 595 CG LEU A 41 0.269 3.714 -1.092 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.743 3.113 0.234 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.272 2.619 -2.010 1.00 0.00 C ATOM 0 H LEU A 41 -0.273 6.177 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.016 6.849 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.318 4.594 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.528 4.754 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 41 1.126 4.180 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.488 2.342 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.184 3.896 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.105 2.673 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.493 1.856 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.153 2.166 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.542 3.052 -2.973 1.00 0.00 H new ATOM 609 N MET A 42 2.145 6.356 -0.842 1.00 0.00 N ATOM 610 CA MET A 42 3.500 6.439 -0.295 1.00 0.00 C ATOM 611 C MET A 42 3.708 7.775 0.407 1.00 0.00 C ATOM 612 O MET A 42 4.261 7.833 1.506 1.00 0.00 O ATOM 613 CB MET A 42 4.546 6.285 -1.407 1.00 0.00 C ATOM 614 CG MET A 42 4.336 5.059 -2.274 1.00 0.00 C ATOM 615 SD MET A 42 4.317 3.532 -1.319 1.00 0.00 S ATOM 616 CE MET A 42 3.747 2.375 -2.561 1.00 0.00 C ATOM 0 H MET A 42 2.109 6.292 -1.859 1.00 0.00 H new ATOM 0 HA MET A 42 3.621 5.628 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.526 7.173 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.538 6.236 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.394 5.157 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.128 5.006 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.823 1.905 -2.224 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.564 2.905 -3.496 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.506 1.609 -2.721 1.00 0.00 H new ATOM 626 N LEU A 43 3.244 8.841 -0.236 1.00 0.00 N ATOM 627 CA LEU A 43 3.424 10.198 0.269 1.00 0.00 C ATOM 628 C LEU A 43 2.868 10.326 1.687 1.00 0.00 C ATOM 629 O LEU A 43 3.541 10.832 2.589 1.00 0.00 O ATOM 630 CB LEU A 43 2.736 11.205 -0.666 1.00 0.00 C ATOM 631 CG LEU A 43 3.211 11.179 -2.131 1.00 0.00 C ATOM 632 CD1 LEU A 43 2.434 12.193 -2.969 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.714 11.443 -2.216 1.00 0.00 C ATOM 0 H LEU A 43 2.735 8.790 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 43 4.492 10.416 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.662 11.018 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.892 12.208 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 43 3.017 10.185 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.785 12.158 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.371 11.952 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.590 13.194 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.029 11.420 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.936 12.422 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.250 10.675 -1.658 1.00 0.00 H new ATOM 645 N GLY A 44 1.646 9.844 1.879 1.00 0.00 N ATOM 646 CA GLY A 44 1.008 9.917 3.182 1.00 0.00 C ATOM 647 C GLY A 44 1.573 8.901 4.161 1.00 0.00 C ATOM 648 O GLY A 44 1.778 9.206 5.338 1.00 0.00 O ATOM 0 H GLY A 44 1.083 9.402 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.134 10.920 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.063 9.752 3.069 1.00 0.00 H new ATOM 652 N ILE A 45 1.833 7.692 3.669 1.00 0.00 N ATOM 653 CA ILE A 45 2.340 6.606 4.505 1.00 0.00 C ATOM 654 C ILE A 45 3.728 6.936 5.057 1.00 0.00 C ATOM 655 O ILE A 45 4.088 6.498 6.156 1.00 0.00 O ATOM 656 CB ILE A 45 2.338 5.249 3.730 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.062 4.449 4.059 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.590 4.414 4.006 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.903 4.121 5.531 1.00 0.00 C ATOM 0 H ILE A 45 1.700 7.439 2.690 1.00 0.00 H new ATOM 0 HA ILE A 45 1.667 6.497 5.356 1.00 0.00 H new ATOM 0 HB ILE A 45 2.348 5.484 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.193 5.018 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.071 3.520 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.537 3.482 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.475 4.973 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.651 4.191 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.018 3.558 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.752 3.524 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.861 5.045 6.107 1.00 0.00 H new ATOM 671 N GLU A 46 4.485 7.736 4.310 1.00 0.00 N ATOM 672 CA GLU A 46 5.809 8.168 4.745 1.00 0.00 C ATOM 673 C GLU A 46 5.724 8.842 6.111 1.00 0.00 C ATOM 674 O GLU A 46 6.362 8.415 7.073 1.00 0.00 O ATOM 675 CB GLU A 46 6.408 9.145 3.726 1.00 0.00 C ATOM 676 CG GLU A 46 7.783 9.678 4.115 1.00 0.00 C ATOM 677 CD GLU A 46 8.310 10.699 3.125 1.00 0.00 C ATOM 678 OE1 GLU A 46 7.908 11.880 3.209 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.124 10.329 2.251 1.00 0.00 O ATOM 0 H GLU A 46 4.203 8.098 3.399 1.00 0.00 H new ATOM 0 HA GLU A 46 6.451 7.290 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.483 8.646 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.726 9.986 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.727 10.131 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.485 8.847 4.184 1.00 0.00 H new ATOM 686 N GLU A 47 4.900 9.880 6.193 1.00 0.00 N ATOM 687 CA GLU A 47 4.722 10.624 7.433 1.00 0.00 C ATOM 688 C GLU A 47 3.924 9.802 8.443 1.00 0.00 C ATOM 689 O GLU A 47 4.089 9.963 9.653 1.00 0.00 O ATOM 690 CB GLU A 47 4.053 11.982 7.168 1.00 0.00 C ATOM 691 CG GLU A 47 2.678 11.900 6.518 1.00 0.00 C ATOM 692 CD GLU A 47 2.078 13.273 6.259 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.639 13.928 7.230 1.00 0.00 O ATOM 694 OE2 GLU A 47 2.058 13.715 5.092 1.00 0.00 O ATOM 0 H GLU A 47 4.343 10.226 5.412 1.00 0.00 H new ATOM 0 HA GLU A 47 5.706 10.819 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.961 12.517 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.707 12.575 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.756 11.357 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.008 11.329 7.161 1.00 0.00 H new ATOM 701 N ALA A 48 3.059 8.927 7.932 1.00 0.00 N ATOM 702 CA ALA A 48 2.147 8.150 8.768 1.00 0.00 C ATOM 703 C ALA A 48 2.871 7.398 9.891 1.00 0.00 C ATOM 704 O ALA A 48 2.465 7.493 11.051 1.00 0.00 O ATOM 705 CB ALA A 48 1.346 7.173 7.916 1.00 0.00 C ATOM 0 H ALA A 48 2.971 8.738 6.934 1.00 0.00 H new ATOM 0 HA ALA A 48 1.470 8.861 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.672 6.602 8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.766 7.726 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.027 6.491 7.406 1.00 0.00 H new ATOM 711 N PHE A 49 3.938 6.652 9.569 1.00 0.00 N ATOM 712 CA PHE A 49 4.642 5.888 10.608 1.00 0.00 C ATOM 713 C PHE A 49 6.156 6.134 10.636 1.00 0.00 C ATOM 714 O PHE A 49 6.751 6.126 11.716 1.00 0.00 O ATOM 715 CB PHE A 49 4.343 4.380 10.492 1.00 0.00 C ATOM 716 CG PHE A 49 4.788 3.725 9.203 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.096 3.280 9.047 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.895 3.534 8.158 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.499 2.660 7.881 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.296 2.917 6.989 1.00 0.00 C ATOM 721 CZ PHE A 49 5.599 2.480 6.850 1.00 0.00 C ATOM 0 H PHE A 49 4.323 6.562 8.629 1.00 0.00 H new ATOM 0 HA PHE A 49 4.252 6.258 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.824 3.867 11.325 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.269 4.231 10.603 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.806 3.421 9.848 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.874 3.872 8.260 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.517 2.316 7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.591 2.776 6.183 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.913 1.998 5.936 1.00 0.00 H new ATOM 731 N ASP A 50 6.782 6.371 9.477 1.00 0.00 N ATOM 732 CA ASP A 50 8.243 6.556 9.429 1.00 0.00 C ATOM 733 C ASP A 50 8.715 6.870 8.011 1.00 0.00 C ATOM 734 O ASP A 50 9.142 7.992 7.725 1.00 0.00 O ATOM 735 CB ASP A 50 8.970 5.303 9.957 1.00 0.00 C ATOM 736 CG ASP A 50 10.449 5.543 10.235 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.761 6.306 11.175 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.304 4.951 9.547 1.00 0.00 O ATOM 0 H ASP A 50 6.313 6.439 8.574 1.00 0.00 H new ATOM 0 HA ASP A 50 8.487 7.404 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.484 4.967 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.869 4.498 9.229 1.00 0.00 H new ATOM 743 N ILE A 51 8.629 5.879 7.122 1.00 0.00 N ATOM 744 CA ILE A 51 9.062 6.037 5.728 1.00 0.00 C ATOM 745 C ILE A 51 8.058 5.384 4.779 1.00 0.00 C ATOM 746 O ILE A 51 7.079 4.779 5.220 1.00 0.00 O ATOM 747 CB ILE A 51 10.477 5.432 5.454 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.468 3.885 5.507 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.514 6.001 6.419 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.152 3.284 6.867 1.00 0.00 C ATOM 0 H ILE A 51 8.262 4.953 7.342 1.00 0.00 H new ATOM 0 HA ILE A 51 9.116 7.111 5.550 1.00 0.00 H new ATOM 0 HB ILE A 51 10.756 5.721 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.737 3.517 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.444 3.521 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.489 5.563 6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.568 7.083 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.226 5.764 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.171 2.196 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.896 3.614 7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.163 3.610 7.188 1.00 0.00 H new ATOM 762 N GLU A 52 8.310 5.514 3.481 1.00 0.00 N ATOM 763 CA GLU A 52 7.464 4.909 2.453 1.00 0.00 C ATOM 764 C GLU A 52 8.197 3.768 1.751 1.00 0.00 C ATOM 765 O GLU A 52 9.406 3.590 1.925 1.00 0.00 O ATOM 766 CB GLU A 52 6.984 5.968 1.438 1.00 0.00 C ATOM 767 CG GLU A 52 7.920 7.164 1.248 1.00 0.00 C ATOM 768 CD GLU A 52 9.274 6.808 0.655 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.209 6.513 1.425 1.00 0.00 O ATOM 770 OE2 GLU A 52 9.420 6.862 -0.584 1.00 0.00 O ATOM 0 H GLU A 52 9.102 6.039 3.111 1.00 0.00 H new ATOM 0 HA GLU A 52 6.583 4.493 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.841 5.483 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.009 6.338 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.433 7.893 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.074 7.647 2.213 1.00 0.00 H new ATOM 777 N PHE A 53 7.452 2.986 0.976 1.00 0.00 N ATOM 778 CA PHE A 53 8.005 1.833 0.276 1.00 0.00 C ATOM 779 C PHE A 53 9.093 2.257 -0.716 1.00 0.00 C ATOM 780 O PHE A 53 8.849 3.079 -1.600 1.00 0.00 O ATOM 781 CB PHE A 53 6.884 1.074 -0.443 1.00 0.00 C ATOM 782 CG PHE A 53 5.873 0.472 0.501 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.179 -0.676 1.219 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.624 1.052 0.679 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.262 -1.230 2.089 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.706 0.500 1.548 1.00 0.00 C ATOM 787 CZ PHE A 53 4.025 -0.643 2.253 1.00 0.00 C ATOM 0 H PHE A 53 6.455 3.132 0.817 1.00 0.00 H new ATOM 0 HA PHE A 53 8.467 1.173 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.374 1.753 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.322 0.281 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.146 -1.141 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.368 1.946 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.513 -2.123 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.738 0.962 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.306 -1.077 2.932 1.00 0.00 H new ATOM 797 N PRO A 54 10.316 1.704 -0.570 1.00 0.00 N ATOM 798 CA PRO A 54 11.464 2.077 -1.407 1.00 0.00 C ATOM 799 C PRO A 54 11.347 1.574 -2.846 1.00 0.00 C ATOM 800 O PRO A 54 10.635 0.606 -3.132 1.00 0.00 O ATOM 801 CB PRO A 54 12.647 1.411 -0.694 1.00 0.00 C ATOM 802 CG PRO A 54 12.046 0.232 -0.012 1.00 0.00 C ATOM 803 CD PRO A 54 10.680 0.680 0.432 1.00 0.00 C ATOM 0 HA PRO A 54 11.556 3.159 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.420 1.111 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.114 2.089 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.979 -0.621 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.652 -0.081 0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.969 -0.146 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.700 1.093 1.440 1.00 0.00 H new ATOM 811 N ASP A 55 12.089 2.229 -3.738 1.00 0.00 N ATOM 812 CA ASP A 55 12.088 1.913 -5.170 1.00 0.00 C ATOM 813 C ASP A 55 12.480 0.458 -5.426 1.00 0.00 C ATOM 814 O ASP A 55 12.161 -0.103 -6.476 1.00 0.00 O ATOM 815 CB ASP A 55 13.059 2.842 -5.914 1.00 0.00 C ATOM 816 CG ASP A 55 14.504 2.643 -5.478 1.00 0.00 C ATOM 817 OD1 ASP A 55 14.864 3.103 -4.372 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.287 2.030 -6.234 1.00 0.00 O ATOM 0 H ASP A 55 12.711 2.998 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 55 11.074 2.063 -5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.978 2.663 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.770 3.879 -5.741 1.00 0.00 H new ATOM 823 N ASN A 56 13.177 -0.142 -4.464 1.00 0.00 N ATOM 824 CA ASN A 56 13.640 -1.524 -4.587 1.00 0.00 C ATOM 825 C ASN A 56 12.464 -2.496 -4.710 1.00 0.00 C ATOM 826 O ASN A 56 12.516 -3.450 -5.486 1.00 0.00 O ATOM 827 CB ASN A 56 14.518 -1.901 -3.384 1.00 0.00 C ATOM 828 CG ASN A 56 15.057 -3.321 -3.473 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.101 -3.564 -4.074 1.00 0.00 O ATOM 830 ND2 ASN A 56 14.361 -4.266 -2.857 1.00 0.00 N ATOM 0 H ASN A 56 13.435 0.309 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 56 14.234 -1.599 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.353 -1.203 -3.316 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.937 -1.794 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.688 -5.232 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.498 -4.027 -2.368 1.00 0.00 H new ATOM 837 N LEU A 57 11.401 -2.247 -3.948 1.00 0.00 N ATOM 838 CA LEU A 57 10.229 -3.127 -3.961 1.00 0.00 C ATOM 839 C LEU A 57 9.041 -2.445 -4.637 1.00 0.00 C ATOM 840 O LEU A 57 8.029 -3.087 -4.925 1.00 0.00 O ATOM 841 CB LEU A 57 9.876 -3.571 -2.524 1.00 0.00 C ATOM 842 CG LEU A 57 9.489 -2.453 -1.527 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.035 -2.016 -1.716 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.727 -2.904 -0.086 1.00 0.00 C ATOM 0 H LEU A 57 11.325 -1.449 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 57 10.471 -4.017 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.049 -4.278 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.730 -4.111 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 57 10.128 -1.594 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.795 -1.230 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.897 -1.639 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.375 -2.868 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.448 -2.102 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.122 -3.786 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.781 -3.146 0.050 1.00 0.00 H new ATOM 856 N LEU A 58 9.177 -1.142 -4.886 1.00 0.00 N ATOM 857 CA LEU A 58 8.109 -0.337 -5.484 1.00 0.00 C ATOM 858 C LEU A 58 7.646 -0.960 -6.804 1.00 0.00 C ATOM 859 O LEU A 58 6.455 -0.985 -7.115 1.00 0.00 O ATOM 860 CB LEU A 58 8.614 1.105 -5.715 1.00 0.00 C ATOM 861 CG LEU A 58 7.552 2.228 -5.670 1.00 0.00 C ATOM 862 CD1 LEU A 58 6.513 2.078 -6.782 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.879 2.271 -4.300 1.00 0.00 C ATOM 0 H LEU A 58 10.026 -0.616 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 58 7.258 -0.311 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.373 1.324 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.107 1.141 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 58 8.067 3.174 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.787 2.888 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.009 2.118 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.001 1.121 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.134 3.067 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.393 1.315 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.629 2.461 -3.532 1.00 0.00 H new ATOM 875 N ASN A 59 8.598 -1.485 -7.563 1.00 0.00 N ATOM 876 CA ASN A 59 8.317 -2.069 -8.873 1.00 0.00 C ATOM 877 C ASN A 59 8.325 -3.600 -8.784 1.00 0.00 C ATOM 878 O ASN A 59 8.679 -4.292 -9.742 1.00 0.00 O ATOM 879 CB ASN A 59 9.368 -1.577 -9.887 1.00 0.00 C ATOM 880 CG ASN A 59 9.044 -1.959 -11.325 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.877 -2.065 -11.710 1.00 0.00 O ATOM 882 ND2 ASN A 59 10.076 -2.167 -12.130 1.00 0.00 N ATOM 0 H ASN A 59 9.581 -1.520 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 59 7.328 -1.755 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.451 -0.492 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.341 -1.989 -9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.919 -2.424 -13.104 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.027 -2.070 -11.775 1.00 0.00 H new ATOM 889 N ARG A 60 7.908 -4.134 -7.636 1.00 0.00 N ATOM 890 CA ARG A 60 7.959 -5.578 -7.405 1.00 0.00 C ATOM 891 C ARG A 60 6.570 -6.151 -7.077 1.00 0.00 C ATOM 892 O ARG A 60 5.635 -5.416 -6.758 1.00 0.00 O ATOM 893 CB ARG A 60 8.951 -5.900 -6.272 1.00 0.00 C ATOM 894 CG ARG A 60 9.433 -7.353 -6.253 1.00 0.00 C ATOM 895 CD ARG A 60 10.524 -7.621 -7.295 1.00 0.00 C ATOM 896 NE ARG A 60 10.101 -7.320 -8.670 1.00 0.00 N ATOM 897 CZ ARG A 60 10.948 -7.070 -9.674 1.00 0.00 C ATOM 898 NH1 ARG A 60 12.259 -7.164 -9.482 1.00 0.00 N ATOM 899 NH2 ARG A 60 10.483 -6.758 -10.877 1.00 0.00 N ATOM 0 H ARG A 60 7.534 -3.593 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 60 8.301 -6.050 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.816 -5.243 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.479 -5.673 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.815 -7.593 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.588 -8.016 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.402 -7.023 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.825 -8.667 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 60 9.101 -7.301 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.623 -7.428 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.902 -6.973 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.477 -6.708 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.132 -6.568 -11.641 1.00 0.00 H new ATOM 913 N LYS A 61 6.469 -7.479 -7.158 1.00 0.00 N ATOM 914 CA LYS A 61 5.233 -8.228 -6.889 1.00 0.00 C ATOM 915 C LYS A 61 4.747 -8.070 -5.449 1.00 0.00 C ATOM 916 O LYS A 61 3.682 -8.569 -5.105 1.00 0.00 O ATOM 917 CB LYS A 61 5.450 -9.716 -7.194 1.00 0.00 C ATOM 918 CG LYS A 61 6.542 -10.361 -6.342 1.00 0.00 C ATOM 919 CD LYS A 61 6.700 -11.847 -6.648 1.00 0.00 C ATOM 920 CE LYS A 61 7.817 -12.476 -5.827 1.00 0.00 C ATOM 921 NZ LYS A 61 7.992 -13.919 -6.141 1.00 0.00 N ATOM 0 H LYS A 61 7.254 -8.077 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 61 4.463 -7.814 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.514 -10.251 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.708 -9.829 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.489 -9.851 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.303 -10.231 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.762 -12.363 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.910 -11.980 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.751 -11.947 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.597 -12.360 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.762 -14.310 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.110 -14.429 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.227 -14.029 -7.148 1.00 0.00 H new ATOM 935 N SER A 62 5.542 -7.422 -4.604 1.00 0.00 N ATOM 936 CA SER A 62 5.185 -7.209 -3.203 1.00 0.00 C ATOM 937 C SER A 62 3.748 -6.676 -3.055 1.00 0.00 C ATOM 938 O SER A 62 3.053 -6.991 -2.088 1.00 0.00 O ATOM 939 CB SER A 62 6.186 -6.237 -2.574 1.00 0.00 C ATOM 940 OG SER A 62 7.516 -6.684 -2.783 1.00 0.00 O ATOM 0 H SER A 62 6.447 -7.031 -4.867 1.00 0.00 H new ATOM 0 HA SER A 62 5.225 -8.167 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.058 -5.245 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.991 -6.147 -1.505 1.00 0.00 H new ATOM 0 HG SER A 62 8.111 -6.256 -2.132 1.00 0.00 H new ATOM 946 N PHE A 63 3.299 -5.896 -4.042 1.00 0.00 N ATOM 947 CA PHE A 63 1.961 -5.291 -4.020 1.00 0.00 C ATOM 948 C PHE A 63 0.853 -6.314 -4.309 1.00 0.00 C ATOM 949 O PHE A 63 -0.326 -5.963 -4.366 1.00 0.00 O ATOM 950 CB PHE A 63 1.889 -4.144 -5.037 1.00 0.00 C ATOM 951 CG PHE A 63 2.781 -2.979 -4.694 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.148 -3.043 -4.921 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.254 -1.823 -4.138 1.00 0.00 C ATOM 954 CE1 PHE A 63 4.968 -1.980 -4.601 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.070 -0.758 -3.817 1.00 0.00 C ATOM 956 CZ PHE A 63 4.429 -0.836 -4.048 1.00 0.00 C ATOM 0 H PHE A 63 3.845 -5.667 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 63 1.795 -4.907 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.163 -4.524 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.859 -3.795 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.576 -3.935 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.192 -1.756 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.031 -2.043 -4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.646 0.136 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.069 -0.003 -3.796 1.00 0.00 H new ATOM 966 N ALA A 64 1.234 -7.575 -4.489 1.00 0.00 N ATOM 967 CA ALA A 64 0.272 -8.645 -4.742 1.00 0.00 C ATOM 968 C ALA A 64 -0.342 -9.140 -3.437 1.00 0.00 C ATOM 969 O ALA A 64 -1.389 -9.791 -3.437 1.00 0.00 O ATOM 970 CB ALA A 64 0.936 -9.798 -5.491 1.00 0.00 C ATOM 0 H ALA A 64 2.206 -7.883 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.527 -8.243 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.204 -10.585 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.322 -9.438 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.757 -10.195 -4.894 1.00 0.00 H new ATOM 976 N SER A 65 0.324 -8.837 -2.329 1.00 0.00 N ATOM 977 CA SER A 65 -0.154 -9.226 -1.002 1.00 0.00 C ATOM 978 C SER A 65 0.328 -8.224 0.051 1.00 0.00 C ATOM 979 O SER A 65 1.535 -8.083 0.268 1.00 0.00 O ATOM 980 CB SER A 65 0.343 -10.639 -0.656 1.00 0.00 C ATOM 981 OG SER A 65 -0.112 -11.598 -1.603 1.00 0.00 O ATOM 0 H SER A 65 1.203 -8.320 -2.321 1.00 0.00 H new ATOM 0 HA SER A 65 -1.244 -9.227 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.433 -10.645 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.006 -10.915 0.339 1.00 0.00 H new ATOM 0 HG SER A 65 0.222 -12.486 -1.356 1.00 0.00 H new ATOM 987 N ILE A 66 -0.610 -7.544 0.714 1.00 0.00 N ATOM 988 CA ILE A 66 -0.261 -6.498 1.679 1.00 0.00 C ATOM 989 C ILE A 66 0.546 -7.068 2.847 1.00 0.00 C ATOM 990 O ILE A 66 1.596 -6.526 3.196 1.00 0.00 O ATOM 991 CB ILE A 66 -1.509 -5.744 2.209 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.260 -5.081 1.039 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.108 -4.699 3.256 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.448 -4.239 1.456 1.00 0.00 C ATOM 0 H ILE A 66 -1.612 -7.697 0.602 1.00 0.00 H new ATOM 0 HA ILE A 66 0.357 -5.778 1.143 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.173 -6.463 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.562 -4.454 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.603 -5.858 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.998 -4.182 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.614 -5.193 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.426 -3.977 2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.918 -3.810 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.169 -4.863 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.113 -3.437 2.114 1.00 0.00 H new ATOM 1006 N LYS A 67 0.071 -8.168 3.438 1.00 0.00 N ATOM 1007 CA LYS A 67 0.800 -8.822 4.531 1.00 0.00 C ATOM 1008 C LYS A 67 2.240 -9.147 4.120 1.00 0.00 C ATOM 1009 O LYS A 67 3.139 -9.208 4.959 1.00 0.00 O ATOM 1010 CB LYS A 67 0.092 -10.103 5.013 1.00 0.00 C ATOM 1011 CG LYS A 67 0.000 -11.233 3.979 1.00 0.00 C ATOM 1012 CD LYS A 67 -1.235 -11.110 3.086 1.00 0.00 C ATOM 1013 CE LYS A 67 -1.374 -12.300 2.140 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.554 -13.586 2.871 1.00 0.00 N ATOM 0 H LYS A 67 -0.806 -8.622 3.182 1.00 0.00 H new ATOM 0 HA LYS A 67 0.819 -8.114 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.616 -10.479 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.917 -9.842 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.896 -11.227 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.023 -12.193 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.127 -11.035 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.173 -10.190 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.225 -12.138 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.488 -12.365 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.661 -14.362 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.723 -13.764 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.404 -13.530 3.467 1.00 0.00 H new ATOM 1028 N ALA A 68 2.456 -9.356 2.824 1.00 0.00 N ATOM 1029 CA ALA A 68 3.777 -9.696 2.312 1.00 0.00 C ATOM 1030 C ALA A 68 4.657 -8.453 2.192 1.00 0.00 C ATOM 1031 O ALA A 68 5.817 -8.463 2.608 1.00 0.00 O ATOM 1032 CB ALA A 68 3.660 -10.399 0.965 1.00 0.00 C ATOM 0 H ALA A 68 1.731 -9.295 2.109 1.00 0.00 H new ATOM 0 HA ALA A 68 4.250 -10.376 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.655 -10.646 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.078 -11.314 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.162 -9.741 0.253 1.00 0.00 H new ATOM 1038 N ILE A 69 4.098 -7.381 1.631 1.00 0.00 N ATOM 1039 CA ILE A 69 4.860 -6.158 1.385 1.00 0.00 C ATOM 1040 C ILE A 69 5.162 -5.417 2.692 1.00 0.00 C ATOM 1041 O ILE A 69 6.244 -4.844 2.854 1.00 0.00 O ATOM 1042 CB ILE A 69 4.125 -5.210 0.394 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.024 -4.022 0.008 1.00 0.00 C ATOM 1044 CG2 ILE A 69 2.804 -4.714 0.980 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.397 -3.080 -1.000 1.00 0.00 C ATOM 0 H ILE A 69 3.122 -7.335 1.339 1.00 0.00 H new ATOM 0 HA ILE A 69 5.803 -6.461 0.930 1.00 0.00 H new ATOM 0 HB ILE A 69 3.900 -5.781 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.274 -3.461 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.960 -4.404 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.314 -4.054 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.157 -5.565 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.998 -4.168 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.091 -2.269 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.172 -3.625 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.476 -2.667 -0.588 1.00 0.00 H new ATOM 1057 N GLU A 70 4.214 -5.441 3.631 1.00 0.00 N ATOM 1058 CA GLU A 70 4.381 -4.737 4.900 1.00 0.00 C ATOM 1059 C GLU A 70 5.512 -5.365 5.712 1.00 0.00 C ATOM 1060 O GLU A 70 6.203 -4.683 6.471 1.00 0.00 O ATOM 1061 CB GLU A 70 3.059 -4.694 5.694 1.00 0.00 C ATOM 1062 CG GLU A 70 2.524 -6.048 6.170 1.00 0.00 C ATOM 1063 CD GLU A 70 3.166 -6.546 7.461 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.455 -5.718 8.347 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.345 -7.773 7.609 1.00 0.00 O ATOM 0 H GLU A 70 3.328 -5.938 3.536 1.00 0.00 H new ATOM 0 HA GLU A 70 4.657 -3.704 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.201 -4.054 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.298 -4.222 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.447 -5.971 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.686 -6.788 5.386 1.00 0.00 H new ATOM 1072 N ASP A 71 5.711 -6.664 5.530 1.00 0.00 N ATOM 1073 CA ASP A 71 6.786 -7.372 6.215 1.00 0.00 C ATOM 1074 C ASP A 71 8.140 -6.915 5.683 1.00 0.00 C ATOM 1075 O ASP A 71 9.133 -6.880 6.415 1.00 0.00 O ATOM 1076 CB ASP A 71 6.635 -8.888 6.054 1.00 0.00 C ATOM 1077 CG ASP A 71 7.541 -9.661 7.002 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.280 -9.637 8.227 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.518 -10.285 6.537 1.00 0.00 O ATOM 0 H ASP A 71 5.144 -7.248 4.915 1.00 0.00 H new ATOM 0 HA ASP A 71 6.726 -7.137 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.598 -9.169 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.865 -9.167 5.026 1.00 0.00 H new ATOM 1084 N THR A 72 8.166 -6.542 4.405 1.00 0.00 N ATOM 1085 CA THR A 72 9.386 -6.083 3.760 1.00 0.00 C ATOM 1086 C THR A 72 9.746 -4.662 4.210 1.00 0.00 C ATOM 1087 O THR A 72 10.918 -4.353 4.425 1.00 0.00 O ATOM 1088 CB THR A 72 9.253 -6.138 2.221 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.770 -7.431 1.826 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.593 -5.869 1.538 1.00 0.00 C ATOM 0 H THR A 72 7.348 -6.550 3.796 1.00 0.00 H new ATOM 0 HA THR A 72 10.190 -6.754 4.062 1.00 0.00 H new ATOM 0 HB THR A 72 8.549 -5.364 1.914 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.831 -7.524 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.466 -5.915 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.953 -4.879 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.318 -6.621 1.850 1.00 0.00 H new ATOM 1098 N VAL A 73 8.740 -3.798 4.370 1.00 0.00 N ATOM 1099 CA VAL A 73 8.990 -2.433 4.843 1.00 0.00 C ATOM 1100 C VAL A 73 9.435 -2.451 6.309 1.00 0.00 C ATOM 1101 O VAL A 73 10.207 -1.594 6.742 1.00 0.00 O ATOM 1102 CB VAL A 73 7.759 -1.496 4.656 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.557 -1.980 5.457 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.104 -0.052 5.026 1.00 0.00 C ATOM 0 H VAL A 73 7.761 -4.013 4.183 1.00 0.00 H new ATOM 0 HA VAL A 73 9.792 -2.024 4.228 1.00 0.00 H new ATOM 0 HB VAL A 73 7.490 -1.525 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.719 -1.301 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.279 -2.981 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.812 -2.004 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.226 0.579 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.419 -0.009 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.913 0.304 4.388 1.00 0.00 H new ATOM 1114 N LYS A 74 8.965 -3.448 7.062 1.00 0.00 N ATOM 1115 CA LYS A 74 9.421 -3.660 8.439 1.00 0.00 C ATOM 1116 C LYS A 74 10.938 -3.853 8.479 1.00 0.00 C ATOM 1117 O LYS A 74 11.607 -3.419 9.419 1.00 0.00 O ATOM 1118 CB LYS A 74 8.724 -4.883 9.055 1.00 0.00 C ATOM 1119 CG LYS A 74 7.273 -4.646 9.467 1.00 0.00 C ATOM 1120 CD LYS A 74 6.555 -5.957 9.790 1.00 0.00 C ATOM 1121 CE LYS A 74 7.300 -6.789 10.829 1.00 0.00 C ATOM 1122 NZ LYS A 74 6.808 -8.194 10.870 1.00 0.00 N ATOM 0 H LYS A 74 8.269 -4.122 6.742 1.00 0.00 H new ATOM 0 HA LYS A 74 9.163 -2.776 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.755 -5.703 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.289 -5.204 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.244 -3.991 10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.746 -4.131 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.552 -5.738 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.441 -6.540 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.366 -6.784 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.181 -6.334 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.303 -8.713 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.786 -8.198 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.991 -8.653 9.955 1.00 0.00 H new ATOM 1136 N LEU A 75 11.475 -4.493 7.443 1.00 0.00 N ATOM 1137 CA LEU A 75 12.912 -4.749 7.347 1.00 0.00 C ATOM 1138 C LEU A 75 13.697 -3.435 7.345 1.00 0.00 C ATOM 1139 O LEU A 75 14.842 -3.382 7.801 1.00 0.00 O ATOM 1140 CB LEU A 75 13.235 -5.569 6.089 1.00 0.00 C ATOM 1141 CG LEU A 75 12.493 -6.913 5.973 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.937 -7.672 4.724 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.704 -7.764 7.227 1.00 0.00 C ATOM 0 H LEU A 75 10.934 -4.846 6.654 1.00 0.00 H new ATOM 0 HA LEU A 75 13.212 -5.327 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.000 -4.966 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.308 -5.761 6.066 1.00 0.00 H new ATOM 0 HG LEU A 75 11.427 -6.702 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.400 -8.618 4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.721 -7.074 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.008 -7.866 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.170 -8.708 7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.768 -7.962 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.325 -7.229 8.098 1.00 0.00 H new ATOM 1155 N ILE A 76 13.069 -2.380 6.826 1.00 0.00 N ATOM 1156 CA ILE A 76 13.677 -1.049 6.802 1.00 0.00 C ATOM 1157 C ILE A 76 13.842 -0.519 8.229 1.00 0.00 C ATOM 1158 O ILE A 76 14.792 0.203 8.534 1.00 0.00 O ATOM 1159 CB ILE A 76 12.820 -0.051 5.979 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.544 -0.612 4.573 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.505 1.314 5.893 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.638 0.265 3.737 1.00 0.00 C ATOM 0 H ILE A 76 12.136 -2.421 6.415 1.00 0.00 H new ATOM 0 HA ILE A 76 14.654 -1.140 6.327 1.00 0.00 H new ATOM 0 HB ILE A 76 11.866 0.083 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.492 -0.743 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.093 -1.600 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.885 1.996 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.643 1.716 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.476 1.204 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.488 -0.194 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.676 0.376 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.096 1.246 3.611 1.00 0.00 H new ATOM 1174 N LEU A 77 12.902 -0.891 9.096 1.00 0.00 N ATOM 1175 CA LEU A 77 12.954 -0.514 10.508 1.00 0.00 C ATOM 1176 C LEU A 77 13.971 -1.382 11.247 1.00 0.00 C ATOM 1177 O LEU A 77 14.570 -0.950 12.231 1.00 0.00 O ATOM 1178 CB LEU A 77 11.566 -0.634 11.171 1.00 0.00 C ATOM 1179 CG LEU A 77 10.518 0.414 10.739 1.00 0.00 C ATOM 1180 CD1 LEU A 77 11.032 1.829 10.983 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.116 0.230 9.277 1.00 0.00 C ATOM 0 H LEU A 77 12.091 -1.456 8.844 1.00 0.00 H new ATOM 0 HA LEU A 77 13.265 0.529 10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.168 -1.626 10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.694 -0.567 12.251 1.00 0.00 H new ATOM 0 HG LEU A 77 9.628 0.262 11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.276 2.550 10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.243 1.961 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.945 1.989 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.377 0.984 9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.995 0.338 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.689 -0.763 9.139 1.00 0.00 H new ATOM 1193 N ASP A 78 14.150 -2.613 10.772 1.00 0.00 N ATOM 1194 CA ASP A 78 15.197 -3.491 11.297 1.00 0.00 C ATOM 1195 C ASP A 78 16.565 -2.891 10.999 1.00 0.00 C ATOM 1196 O ASP A 78 17.421 -2.788 11.878 1.00 0.00 O ATOM 1197 CB ASP A 78 15.097 -4.891 10.674 1.00 0.00 C ATOM 1198 CG ASP A 78 16.238 -5.810 11.103 1.00 0.00 C ATOM 1199 OD1 ASP A 78 16.134 -6.436 12.179 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.242 -5.914 10.362 1.00 0.00 O ATOM 0 H ASP A 78 13.587 -3.025 10.028 1.00 0.00 H new ATOM 0 HA ASP A 78 15.065 -3.583 12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.146 -5.343 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.097 -4.802 9.588 1.00 0.00 H new ATOM 1205 N GLY A 79 16.750 -2.479 9.749 1.00 0.00 N ATOM 1206 CA GLY A 79 17.996 -1.869 9.323 1.00 0.00 C ATOM 1207 C GLY A 79 17.871 -0.365 9.209 1.00 0.00 C ATOM 1208 O GLY A 79 17.942 0.191 8.112 1.00 0.00 O ATOM 0 H GLY A 79 16.047 -2.559 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.784 -2.116 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.294 -2.284 8.360 1.00 0.00 H new