USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.68 K(o=-2.7,f=-10!) USER MOD Single : A 30 ASN : amide:sc= 0.257 X(o=0.26,f=-0.18) USER MOD Single : A 34 THR OG1 : rot -69:sc= -2.31! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 44 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.8!) USER MOD Single : A 50 GLN : amide:sc= -0.0788 X(o=-0.079,f=0.28) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -94:sc= -1.99! USER MOD Single : A 71 ASN : amide:sc= -0.854 X(o=-0.85,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.109) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.087) USER MOD Single : A 81 GLN : amide:sc= -8.19! C(o=-8.2!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.742 -14.442 6.211 1.00 0.00 N ATOM 24 CA GLU A 4 4.331 -13.168 6.587 1.00 0.00 C ATOM 25 C GLU A 4 5.032 -12.533 5.385 1.00 0.00 C ATOM 26 O GLU A 4 5.422 -11.366 5.433 1.00 0.00 O ATOM 27 CB GLU A 4 5.298 -13.335 7.761 1.00 0.00 C ATOM 28 CG GLU A 4 4.879 -12.462 8.945 1.00 0.00 C ATOM 29 CD GLU A 4 3.661 -13.053 9.658 1.00 0.00 C ATOM 30 OE1 GLU A 4 2.613 -13.173 8.987 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.805 -13.371 10.858 1.00 0.00 O ATOM 0 HA GLU A 4 3.531 -12.502 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.326 -14.381 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.307 -13.068 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.708 -12.373 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.648 -11.456 8.596 1.00 0.00 H new ATOM 38 N ALA A 5 5.171 -13.326 4.333 1.00 0.00 N ATOM 39 CA ALA A 5 5.818 -12.857 3.121 1.00 0.00 C ATOM 40 C ALA A 5 4.890 -11.877 2.398 1.00 0.00 C ATOM 41 O ALA A 5 5.318 -11.166 1.490 1.00 0.00 O ATOM 42 CB ALA A 5 6.196 -14.054 2.246 1.00 0.00 C ATOM 0 H ALA A 5 4.846 -14.292 4.296 1.00 0.00 H new ATOM 0 HA ALA A 5 6.739 -12.325 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.682 -13.701 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.879 -14.703 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.297 -14.612 1.984 1.00 0.00 H new ATOM 48 N ILE A 6 3.637 -11.873 2.829 1.00 0.00 N ATOM 49 CA ILE A 6 2.645 -10.993 2.234 1.00 0.00 C ATOM 50 C ILE A 6 2.656 -9.650 2.968 1.00 0.00 C ATOM 51 O ILE A 6 2.761 -8.597 2.341 1.00 0.00 O ATOM 52 CB ILE A 6 1.273 -11.670 2.212 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.033 -12.376 0.876 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.163 -10.670 2.541 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.321 -13.090 0.869 1.00 0.00 C ATOM 0 H ILE A 6 3.286 -12.464 3.582 1.00 0.00 H new ATOM 0 HA ILE A 6 2.892 -10.790 1.192 1.00 0.00 H new ATOM 0 HB ILE A 6 1.256 -12.435 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.069 -11.649 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.830 -13.097 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.802 -11.177 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.331 -10.254 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.168 -9.866 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.467 -13.584 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.345 -13.833 1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.117 -12.362 1.028 1.00 0.00 H new ATOM 67 N LYS A 7 2.547 -9.732 4.287 1.00 0.00 N ATOM 68 CA LYS A 7 2.543 -8.537 5.113 1.00 0.00 C ATOM 69 C LYS A 7 3.854 -7.776 4.907 1.00 0.00 C ATOM 70 O LYS A 7 3.853 -6.551 4.786 1.00 0.00 O ATOM 71 CB LYS A 7 2.262 -8.895 6.573 1.00 0.00 C ATOM 72 CG LYS A 7 1.468 -7.785 7.267 1.00 0.00 C ATOM 73 CD LYS A 7 1.992 -7.542 8.684 1.00 0.00 C ATOM 74 CE LYS A 7 1.405 -8.555 9.668 1.00 0.00 C ATOM 75 NZ LYS A 7 1.326 -7.974 11.027 1.00 0.00 N ATOM 0 H LYS A 7 2.461 -10.608 4.803 1.00 0.00 H new ATOM 0 HA LYS A 7 1.736 -7.869 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.704 -9.830 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.203 -9.057 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.538 -6.865 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.413 -8.057 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.080 -7.612 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.736 -6.531 9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.411 -8.858 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.022 -9.453 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.925 -8.676 11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.279 -7.707 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.718 -7.130 11.009 1.00 0.00 H new ATOM 89 N ASN A 8 4.941 -8.532 4.875 1.00 0.00 N ATOM 90 CA ASN A 8 6.256 -7.945 4.686 1.00 0.00 C ATOM 91 C ASN A 8 6.349 -7.353 3.279 1.00 0.00 C ATOM 92 O ASN A 8 6.554 -6.150 3.119 1.00 0.00 O ATOM 93 CB ASN A 8 7.356 -8.999 4.829 1.00 0.00 C ATOM 94 CG ASN A 8 8.623 -8.391 5.436 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.699 -7.207 5.721 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.609 -9.265 5.618 1.00 0.00 N ATOM 0 H ASN A 8 4.938 -9.547 4.977 1.00 0.00 H new ATOM 0 HA ASN A 8 6.393 -7.175 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.003 -9.816 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.585 -9.426 3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.495 -8.958 6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.479 -10.242 5.357 1.00 0.00 H new ATOM 103 N GLY A 9 6.194 -8.224 2.294 1.00 0.00 N ATOM 104 CA GLY A 9 6.258 -7.804 0.904 1.00 0.00 C ATOM 105 C GLY A 9 5.417 -6.546 0.673 1.00 0.00 C ATOM 106 O GLY A 9 5.872 -5.600 0.031 1.00 0.00 O ATOM 0 H GLY A 9 6.024 -9.220 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.294 -7.610 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.901 -8.608 0.260 1.00 0.00 H new ATOM 110 N VAL A 10 4.206 -6.574 1.211 1.00 0.00 N ATOM 111 CA VAL A 10 3.299 -5.448 1.073 1.00 0.00 C ATOM 112 C VAL A 10 3.988 -4.178 1.577 1.00 0.00 C ATOM 113 O VAL A 10 3.988 -3.156 0.894 1.00 0.00 O ATOM 114 CB VAL A 10 1.984 -5.743 1.797 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.171 -4.464 2.001 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.168 -6.797 1.045 1.00 0.00 C ATOM 0 H VAL A 10 3.832 -7.360 1.743 1.00 0.00 H new ATOM 0 HA VAL A 10 3.048 -5.287 0.025 1.00 0.00 H new ATOM 0 HB VAL A 10 2.227 -6.146 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.241 -4.702 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.748 -3.758 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.944 -4.019 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.238 -6.988 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.941 -6.434 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.743 -7.720 0.975 1.00 0.00 H new ATOM 126 N LEU A 11 4.556 -4.286 2.769 1.00 0.00 N ATOM 127 CA LEU A 11 5.246 -3.158 3.373 1.00 0.00 C ATOM 128 C LEU A 11 6.500 -2.838 2.558 1.00 0.00 C ATOM 129 O LEU A 11 6.739 -1.683 2.208 1.00 0.00 O ATOM 130 CB LEU A 11 5.528 -3.433 4.852 1.00 0.00 C ATOM 131 CG LEU A 11 5.344 -2.247 5.801 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.906 -2.562 7.189 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.954 -0.973 5.211 1.00 0.00 C ATOM 0 H LEU A 11 4.553 -5.136 3.333 1.00 0.00 H new ATOM 0 HA LEU A 11 4.615 -2.269 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.876 -4.241 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.553 -3.792 4.945 1.00 0.00 H new ATOM 0 HG LEU A 11 4.275 -2.068 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.762 -1.702 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.386 -3.425 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.970 -2.783 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.810 -0.145 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.020 -1.124 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.467 -0.741 4.264 1.00 0.00 H new ATOM 145 N ASP A 12 7.268 -3.880 2.279 1.00 0.00 N ATOM 146 CA ASP A 12 8.492 -3.724 1.510 1.00 0.00 C ATOM 147 C ASP A 12 8.171 -3.040 0.180 1.00 0.00 C ATOM 148 O ASP A 12 8.937 -2.203 -0.294 1.00 0.00 O ATOM 149 CB ASP A 12 9.127 -5.082 1.203 1.00 0.00 C ATOM 150 CG ASP A 12 10.655 -5.106 1.245 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.212 -4.378 2.095 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.235 -5.851 0.425 1.00 0.00 O ATOM 0 H ASP A 12 7.067 -4.836 2.571 1.00 0.00 H new ATOM 0 HA ASP A 12 9.187 -3.127 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.748 -5.813 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.801 -5.403 0.214 1.00 0.00 H new ATOM 157 N ILE A 13 7.034 -3.421 -0.386 1.00 0.00 N ATOM 158 CA ILE A 13 6.601 -2.856 -1.651 1.00 0.00 C ATOM 159 C ILE A 13 6.165 -1.405 -1.434 1.00 0.00 C ATOM 160 O ILE A 13 6.177 -0.604 -2.367 1.00 0.00 O ATOM 161 CB ILE A 13 5.523 -3.734 -2.290 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.149 -4.824 -3.161 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.517 -2.885 -3.070 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.363 -6.133 -3.050 1.00 0.00 C ATOM 0 H ILE A 13 6.400 -4.115 0.010 1.00 0.00 H new ATOM 0 HA ILE A 13 7.427 -2.838 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 13 4.973 -4.235 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.171 -4.496 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.182 -4.989 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.761 -3.533 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.037 -2.178 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.036 -2.339 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.829 -6.892 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.363 -6.471 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.336 -5.970 -3.378 1.00 0.00 H new ATOM 176 N LEU A 14 5.790 -1.113 -0.198 1.00 0.00 N ATOM 177 CA LEU A 14 5.350 0.227 0.154 1.00 0.00 C ATOM 178 C LEU A 14 6.570 1.088 0.487 1.00 0.00 C ATOM 179 O LEU A 14 6.834 2.084 -0.184 1.00 0.00 O ATOM 180 CB LEU A 14 4.311 0.173 1.274 1.00 0.00 C ATOM 181 CG LEU A 14 2.871 0.498 0.871 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.763 1.925 0.329 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.333 -0.534 -0.122 1.00 0.00 C ATOM 0 H LEU A 14 5.782 -1.781 0.573 1.00 0.00 H new ATOM 0 HA LEU A 14 4.848 0.698 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.328 -0.826 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.614 0.868 2.057 1.00 0.00 H new ATOM 0 HG LEU A 14 2.246 0.443 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.730 2.131 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.079 2.631 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.403 2.031 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.308 -0.279 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.954 -0.536 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.353 -1.523 0.335 1.00 0.00 H new ATOM 195 N ALA A 15 7.282 0.672 1.525 1.00 0.00 N ATOM 196 CA ALA A 15 8.467 1.393 1.956 1.00 0.00 C ATOM 197 C ALA A 15 9.407 1.579 0.764 1.00 0.00 C ATOM 198 O ALA A 15 10.089 2.597 0.660 1.00 0.00 O ATOM 199 CB ALA A 15 9.131 0.640 3.110 1.00 0.00 C ATOM 0 H ALA A 15 7.061 -0.155 2.079 1.00 0.00 H new ATOM 0 HA ALA A 15 8.201 2.384 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.020 1.181 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.432 0.560 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.415 -0.359 2.777 1.00 0.00 H new ATOM 205 N ASP A 16 9.413 0.579 -0.105 1.00 0.00 N ATOM 206 CA ASP A 16 10.259 0.619 -1.287 1.00 0.00 C ATOM 207 C ASP A 16 9.717 1.668 -2.261 1.00 0.00 C ATOM 208 O ASP A 16 10.482 2.444 -2.831 1.00 0.00 O ATOM 209 CB ASP A 16 10.268 -0.732 -2.003 1.00 0.00 C ATOM 210 CG ASP A 16 11.003 -0.747 -3.345 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.034 -0.045 -3.437 1.00 0.00 O ATOM 212 OD2 ASP A 16 10.517 -1.459 -4.251 1.00 0.00 O ATOM 0 H ASP A 16 8.846 -0.264 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 16 11.272 0.865 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.726 -1.471 -1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.237 -1.047 -2.167 1.00 0.00 H new ATOM 217 N LEU A 17 8.402 1.656 -2.421 1.00 0.00 N ATOM 218 CA LEU A 17 7.749 2.596 -3.316 1.00 0.00 C ATOM 219 C LEU A 17 8.169 4.020 -2.949 1.00 0.00 C ATOM 220 O LEU A 17 8.606 4.784 -3.808 1.00 0.00 O ATOM 221 CB LEU A 17 6.234 2.381 -3.307 1.00 0.00 C ATOM 222 CG LEU A 17 5.594 2.063 -4.660 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.830 0.603 -5.050 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.106 2.424 -4.661 1.00 0.00 C ATOM 0 H LEU A 17 7.771 1.010 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 17 8.066 2.425 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.007 1.566 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.762 3.278 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 17 6.076 2.680 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.365 0.404 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.901 0.413 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.393 -0.050 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.675 2.188 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.592 1.852 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.990 3.489 -4.461 1.00 0.00 H new ATOM 236 N THR A 18 8.024 4.335 -1.670 1.00 0.00 N ATOM 237 CA THR A 18 8.383 5.654 -1.178 1.00 0.00 C ATOM 238 C THR A 18 9.901 5.842 -1.217 1.00 0.00 C ATOM 239 O THR A 18 10.393 6.840 -1.742 1.00 0.00 O ATOM 240 CB THR A 18 7.787 5.815 0.221 1.00 0.00 C ATOM 241 OG1 THR A 18 8.527 4.898 1.023 1.00 0.00 O ATOM 242 CG2 THR A 18 6.346 5.306 0.307 1.00 0.00 C ATOM 0 H THR A 18 7.663 3.699 -0.959 1.00 0.00 H new ATOM 0 HA THR A 18 7.973 6.439 -1.814 1.00 0.00 H new ATOM 0 HB THR A 18 7.819 6.866 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.206 4.939 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.971 5.444 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.721 5.864 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.318 4.247 0.051 1.00 0.00 H new ATOM 250 N GLY A 19 10.600 4.868 -0.654 1.00 0.00 N ATOM 251 CA GLY A 19 12.052 4.914 -0.618 1.00 0.00 C ATOM 252 C GLY A 19 12.551 5.435 0.732 1.00 0.00 C ATOM 253 O GLY A 19 13.699 5.861 0.851 1.00 0.00 O ATOM 0 H GLY A 19 10.188 4.042 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.456 3.918 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.419 5.557 -1.418 1.00 0.00 H new ATOM 257 N SER A 20 11.663 5.385 1.714 1.00 0.00 N ATOM 258 CA SER A 20 11.999 5.847 3.051 1.00 0.00 C ATOM 259 C SER A 20 11.627 4.779 4.082 1.00 0.00 C ATOM 260 O SER A 20 10.950 3.805 3.756 1.00 0.00 O ATOM 261 CB SER A 20 11.291 7.164 3.372 1.00 0.00 C ATOM 262 OG SER A 20 11.948 8.281 2.781 1.00 0.00 O ATOM 0 H SER A 20 10.712 5.032 1.611 1.00 0.00 H new ATOM 0 HA SER A 20 13.074 6.024 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.262 7.119 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.248 7.299 4.453 1.00 0.00 H new ATOM 0 HG SER A 20 11.464 9.103 3.008 1.00 0.00 H new ATOM 268 N ASP A 21 12.088 4.998 5.304 1.00 0.00 N ATOM 269 CA ASP A 21 11.813 4.067 6.386 1.00 0.00 C ATOM 270 C ASP A 21 10.879 4.731 7.400 1.00 0.00 C ATOM 271 O ASP A 21 11.193 4.797 8.587 1.00 0.00 O ATOM 272 CB ASP A 21 13.099 3.673 7.114 1.00 0.00 C ATOM 273 CG ASP A 21 12.899 2.797 8.353 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.733 2.418 8.598 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.915 2.527 9.027 1.00 0.00 O ATOM 0 H ASP A 21 12.650 5.807 5.570 1.00 0.00 H new ATOM 0 HA ASP A 21 11.355 3.176 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.747 3.145 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.624 4.581 7.411 1.00 0.00 H new ATOM 280 N ASP A 22 9.750 5.206 6.894 1.00 0.00 N ATOM 281 CA ASP A 22 8.768 5.862 7.742 1.00 0.00 C ATOM 282 C ASP A 22 7.502 5.007 7.804 1.00 0.00 C ATOM 283 O ASP A 22 6.825 4.966 8.831 1.00 0.00 O ATOM 284 CB ASP A 22 8.385 7.233 7.180 1.00 0.00 C ATOM 285 CG ASP A 22 8.159 8.321 8.231 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.524 7.996 9.258 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.626 9.455 7.985 1.00 0.00 O ATOM 0 H ASP A 22 9.493 5.150 5.908 1.00 0.00 H new ATOM 0 HA ASP A 22 9.206 5.987 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.171 7.563 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.476 7.126 6.588 1.00 0.00 H new ATOM 292 N VAL A 23 7.218 4.343 6.692 1.00 0.00 N ATOM 293 CA VAL A 23 6.045 3.490 6.608 1.00 0.00 C ATOM 294 C VAL A 23 6.404 2.086 7.098 1.00 0.00 C ATOM 295 O VAL A 23 5.520 1.275 7.371 1.00 0.00 O ATOM 296 CB VAL A 23 5.489 3.503 5.183 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.540 3.018 4.182 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.212 2.668 5.085 1.00 0.00 C ATOM 0 H VAL A 23 7.781 4.379 5.842 1.00 0.00 H new ATOM 0 HA VAL A 23 5.252 3.866 7.255 1.00 0.00 H new ATOM 0 HB VAL A 23 5.235 4.533 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.120 3.036 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.411 3.672 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.838 2.000 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.838 2.694 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.429 1.637 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.458 3.076 5.758 1.00 0.00 H new ATOM 308 N LYS A 24 7.702 1.841 7.193 1.00 0.00 N ATOM 309 CA LYS A 24 8.189 0.549 7.645 1.00 0.00 C ATOM 310 C LYS A 24 8.034 0.453 9.164 1.00 0.00 C ATOM 311 O LYS A 24 8.363 -0.571 9.762 1.00 0.00 O ATOM 312 CB LYS A 24 9.620 0.315 7.157 1.00 0.00 C ATOM 313 CG LYS A 24 10.213 -0.950 7.782 1.00 0.00 C ATOM 314 CD LYS A 24 11.025 -0.614 9.034 1.00 0.00 C ATOM 315 CE LYS A 24 10.956 -1.754 10.054 1.00 0.00 C ATOM 316 NZ LYS A 24 11.986 -2.775 9.759 1.00 0.00 N ATOM 0 H LYS A 24 8.432 2.516 6.965 1.00 0.00 H new ATOM 0 HA LYS A 24 7.594 -0.255 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.628 0.226 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.240 1.175 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.412 -1.643 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.850 -1.455 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.064 -0.429 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.645 0.304 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.103 -1.360 11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.966 -2.210 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.926 -3.541 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.828 -3.163 8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.929 -2.339 9.803 1.00 0.00 H new ATOM 330 N LYS A 25 7.533 1.532 9.746 1.00 0.00 N ATOM 331 CA LYS A 25 7.331 1.583 11.184 1.00 0.00 C ATOM 332 C LYS A 25 5.896 2.026 11.477 1.00 0.00 C ATOM 333 O LYS A 25 5.150 1.317 12.150 1.00 0.00 O ATOM 334 CB LYS A 25 8.394 2.464 11.844 1.00 0.00 C ATOM 335 CG LYS A 25 8.444 3.846 11.190 1.00 0.00 C ATOM 336 CD LYS A 25 7.561 4.843 11.944 1.00 0.00 C ATOM 337 CE LYS A 25 8.407 5.776 12.812 1.00 0.00 C ATOM 338 NZ LYS A 25 8.478 5.268 14.201 1.00 0.00 N ATOM 0 H LYS A 25 7.261 2.379 9.247 1.00 0.00 H new ATOM 0 HA LYS A 25 7.455 0.593 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.176 2.568 12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.370 1.984 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.472 4.207 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.114 3.774 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.979 5.430 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.850 4.304 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.411 5.858 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.977 6.778 12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.056 5.913 14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.519 5.212 14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.909 4.322 14.203 1.00 0.00 H new ATOM 352 N ASN A 26 5.553 3.195 10.957 1.00 0.00 N ATOM 353 CA ASN A 26 4.221 3.741 11.155 1.00 0.00 C ATOM 354 C ASN A 26 3.198 2.845 10.453 1.00 0.00 C ATOM 355 O ASN A 26 3.466 2.318 9.375 1.00 0.00 O ATOM 356 CB ASN A 26 4.108 5.145 10.560 1.00 0.00 C ATOM 357 CG ASN A 26 4.226 6.214 11.648 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.291 6.482 12.177 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.075 6.807 11.952 1.00 0.00 N ATOM 0 H ASN A 26 6.175 3.780 10.398 1.00 0.00 H new ATOM 0 HA ASN A 26 4.031 3.788 12.227 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.890 5.292 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.153 5.250 10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.049 7.534 12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.218 6.535 11.470 1.00 0.00 H new ATOM 366 N LEU A 27 2.048 2.701 11.093 1.00 0.00 N ATOM 367 CA LEU A 27 0.983 1.878 10.544 1.00 0.00 C ATOM 368 C LEU A 27 -0.236 2.756 10.253 1.00 0.00 C ATOM 369 O LEU A 27 -1.373 2.293 10.336 1.00 0.00 O ATOM 370 CB LEU A 27 0.685 0.698 11.472 1.00 0.00 C ATOM 371 CG LEU A 27 1.808 -0.328 11.634 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.683 -1.072 12.965 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.851 -1.287 10.442 1.00 0.00 C ATOM 0 H LEU A 27 1.829 3.140 11.987 1.00 0.00 H new ATOM 0 HA LEU A 27 1.292 1.437 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.434 1.091 12.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.200 0.183 11.099 1.00 0.00 H new ATOM 0 HG LEU A 27 2.758 0.205 11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.493 -1.795 13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.740 -0.359 13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.726 -1.593 13.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.658 -2.006 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.902 -1.817 10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.024 -0.722 9.526 1.00 0.00 H new ATOM 385 N ASP A 28 0.043 4.008 9.919 1.00 0.00 N ATOM 386 CA ASP A 28 -1.018 4.954 9.616 1.00 0.00 C ATOM 387 C ASP A 28 -0.414 6.196 8.958 1.00 0.00 C ATOM 388 O ASP A 28 -0.928 7.301 9.120 1.00 0.00 O ATOM 389 CB ASP A 28 -1.741 5.397 10.890 1.00 0.00 C ATOM 390 CG ASP A 28 -3.251 5.150 10.895 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.659 4.119 10.318 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.963 5.997 11.475 1.00 0.00 O ATOM 0 H ASP A 28 0.987 4.389 9.852 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.729 4.463 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.300 4.876 11.740 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.562 6.462 11.040 1.00 0.00 H new ATOM 397 N LEU A 29 0.671 5.973 8.231 1.00 0.00 N ATOM 398 CA LEU A 29 1.351 7.061 7.548 1.00 0.00 C ATOM 399 C LEU A 29 0.675 7.312 6.199 1.00 0.00 C ATOM 400 O LEU A 29 0.964 6.628 5.219 1.00 0.00 O ATOM 401 CB LEU A 29 2.849 6.772 7.441 1.00 0.00 C ATOM 402 CG LEU A 29 3.774 7.989 7.518 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.900 8.491 8.957 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.138 7.681 6.898 1.00 0.00 C ATOM 0 H LEU A 29 1.096 5.055 8.100 1.00 0.00 H new ATOM 0 HA LEU A 29 1.268 7.983 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.123 6.081 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.033 6.259 6.497 1.00 0.00 H new ATOM 0 HG LEU A 29 3.329 8.794 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.563 9.356 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.916 8.776 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.311 7.700 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.776 8.562 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.603 6.854 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.008 7.407 5.851 1.00 0.00 H new ATOM 416 N ASN A 30 -0.213 8.296 6.192 1.00 0.00 N ATOM 417 CA ASN A 30 -0.932 8.647 4.979 1.00 0.00 C ATOM 418 C ASN A 30 0.067 8.849 3.839 1.00 0.00 C ATOM 419 O ASN A 30 0.566 9.955 3.634 1.00 0.00 O ATOM 420 CB ASN A 30 -1.714 9.949 5.160 1.00 0.00 C ATOM 421 CG ASN A 30 -2.518 9.930 6.461 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.410 10.809 7.300 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.329 8.883 6.581 1.00 0.00 N ATOM 0 H ASN A 30 -0.451 8.861 7.007 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.627 7.838 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.025 10.793 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.387 10.094 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.909 8.780 7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.371 8.183 5.840 1.00 0.00 H new ATOM 430 N LEU A 31 0.331 7.763 3.126 1.00 0.00 N ATOM 431 CA LEU A 31 1.262 7.808 2.012 1.00 0.00 C ATOM 432 C LEU A 31 0.942 9.018 1.133 1.00 0.00 C ATOM 433 O LEU A 31 1.813 9.526 0.428 1.00 0.00 O ATOM 434 CB LEU A 31 1.256 6.479 1.255 1.00 0.00 C ATOM 435 CG LEU A 31 1.532 5.229 2.093 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.816 4.009 1.509 1.00 0.00 C ATOM 437 CD2 LEU A 31 3.036 4.991 2.244 1.00 0.00 C ATOM 0 H LEU A 31 -0.084 6.847 3.299 1.00 0.00 H new ATOM 0 HA LEU A 31 2.282 7.938 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.285 6.362 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.001 6.532 0.461 1.00 0.00 H new ATOM 0 HG LEU A 31 1.129 5.392 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.029 3.134 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.259 4.190 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.168 3.833 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.204 4.097 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.484 4.857 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.493 5.849 2.737 1.00 0.00 H new ATOM 449 N PHE A 32 -0.311 9.445 1.203 1.00 0.00 N ATOM 450 CA PHE A 32 -0.757 10.586 0.422 1.00 0.00 C ATOM 451 C PHE A 32 -0.505 11.895 1.173 1.00 0.00 C ATOM 452 O PHE A 32 0.043 12.842 0.610 1.00 0.00 O ATOM 453 CB PHE A 32 -2.262 10.417 0.205 1.00 0.00 C ATOM 454 CG PHE A 32 -2.627 9.709 -1.101 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.423 10.331 -2.293 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.155 8.456 -1.070 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.761 9.673 -3.505 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.494 7.798 -2.282 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.290 8.420 -3.474 1.00 0.00 C ATOM 0 H PHE A 32 -1.031 9.021 1.788 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.212 10.629 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.678 9.854 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.733 11.400 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.004 11.326 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.316 7.961 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.598 10.167 -4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.914 6.803 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.548 7.919 -4.396 1.00 0.00 H new ATOM 469 N GLU A 33 -0.919 11.908 2.431 1.00 0.00 N ATOM 470 CA GLU A 33 -0.745 13.087 3.264 1.00 0.00 C ATOM 471 C GLU A 33 0.729 13.262 3.634 1.00 0.00 C ATOM 472 O GLU A 33 1.122 14.306 4.153 1.00 0.00 O ATOM 473 CB GLU A 33 -1.619 13.006 4.518 1.00 0.00 C ATOM 474 CG GLU A 33 -2.397 14.306 4.728 1.00 0.00 C ATOM 475 CD GLU A 33 -3.741 14.266 3.997 1.00 0.00 C ATOM 476 OE1 GLU A 33 -4.640 13.558 4.500 1.00 0.00 O ATOM 477 OE2 GLU A 33 -3.838 14.943 2.951 1.00 0.00 O ATOM 0 H GLU A 33 -1.374 11.122 2.894 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.063 13.961 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.315 12.172 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.994 12.807 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.563 14.466 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.808 15.149 4.367 1.00 0.00 H new ATOM 484 N THR A 34 1.504 12.225 3.353 1.00 0.00 N ATOM 485 CA THR A 34 2.927 12.252 3.650 1.00 0.00 C ATOM 486 C THR A 34 3.724 12.645 2.405 1.00 0.00 C ATOM 487 O THR A 34 4.879 13.054 2.507 1.00 0.00 O ATOM 488 CB THR A 34 3.318 10.885 4.215 1.00 0.00 C ATOM 489 OG1 THR A 34 2.870 9.960 3.228 1.00 0.00 O ATOM 490 CG2 THR A 34 2.514 10.517 5.463 1.00 0.00 C ATOM 0 H THR A 34 1.174 11.361 2.923 1.00 0.00 H new ATOM 0 HA THR A 34 3.160 13.008 4.399 1.00 0.00 H new ATOM 0 HB THR A 34 4.382 10.881 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.890 9.945 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.830 9.538 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.685 11.263 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.453 10.487 5.216 1.00 0.00 H new ATOM 498 N GLY A 35 3.075 12.508 1.257 1.00 0.00 N ATOM 499 CA GLY A 35 3.709 12.845 -0.006 1.00 0.00 C ATOM 500 C GLY A 35 4.924 11.952 -0.263 1.00 0.00 C ATOM 501 O GLY A 35 5.922 12.403 -0.823 1.00 0.00 O ATOM 0 H GLY A 35 2.117 12.168 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.992 12.732 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.017 13.891 0.005 1.00 0.00 H new ATOM 505 N LEU A 36 4.800 10.702 0.157 1.00 0.00 N ATOM 506 CA LEU A 36 5.877 9.742 -0.021 1.00 0.00 C ATOM 507 C LEU A 36 5.529 8.801 -1.178 1.00 0.00 C ATOM 508 O LEU A 36 6.382 8.053 -1.651 1.00 0.00 O ATOM 509 CB LEU A 36 6.172 9.018 1.293 1.00 0.00 C ATOM 510 CG LEU A 36 7.388 9.517 2.077 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.394 8.951 3.498 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.685 9.205 1.329 1.00 0.00 C ATOM 0 H LEU A 36 3.970 10.331 0.620 1.00 0.00 H new ATOM 0 HA LEU A 36 6.802 10.252 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.294 9.098 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.314 7.959 1.077 1.00 0.00 H new ATOM 0 HG LEU A 36 7.319 10.601 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.268 9.321 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.490 9.266 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.428 7.862 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.535 9.569 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.775 8.128 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.671 9.695 0.356 1.00 0.00 H new ATOM 524 N LEU A 37 4.275 8.871 -1.597 1.00 0.00 N ATOM 525 CA LEU A 37 3.804 8.035 -2.689 1.00 0.00 C ATOM 526 C LEU A 37 3.878 8.824 -3.998 1.00 0.00 C ATOM 527 O LEU A 37 4.195 10.012 -3.994 1.00 0.00 O ATOM 528 CB LEU A 37 2.411 7.485 -2.380 1.00 0.00 C ATOM 529 CG LEU A 37 2.145 6.044 -2.821 1.00 0.00 C ATOM 530 CD1 LEU A 37 3.235 5.103 -2.304 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.747 5.590 -2.396 1.00 0.00 C ATOM 0 H LEU A 37 3.570 9.493 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 37 4.447 7.162 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.247 7.551 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.673 8.131 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 37 2.178 6.008 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.022 4.085 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.202 5.416 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.258 5.137 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.583 4.563 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.661 5.645 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.001 6.239 -2.852 1.00 0.00 H new ATOM 543 N ASP A 38 3.579 8.131 -5.087 1.00 0.00 N ATOM 544 CA ASP A 38 3.608 8.752 -6.401 1.00 0.00 C ATOM 545 C ASP A 38 2.275 8.499 -7.108 1.00 0.00 C ATOM 546 O ASP A 38 1.746 7.390 -7.066 1.00 0.00 O ATOM 547 CB ASP A 38 4.722 8.159 -7.266 1.00 0.00 C ATOM 548 CG ASP A 38 6.142 8.520 -6.827 1.00 0.00 C ATOM 549 OD1 ASP A 38 6.274 9.533 -6.108 1.00 0.00 O ATOM 550 OD2 ASP A 38 7.065 7.772 -7.221 1.00 0.00 O ATOM 0 H ASP A 38 3.315 7.146 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 38 3.786 9.819 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.623 7.074 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.580 8.492 -8.294 1.00 0.00 H new ATOM 555 N SER A 39 1.771 9.548 -7.743 1.00 0.00 N ATOM 556 CA SER A 39 0.509 9.454 -8.457 1.00 0.00 C ATOM 557 C SER A 39 0.484 8.182 -9.309 1.00 0.00 C ATOM 558 O SER A 39 -0.586 7.670 -9.633 1.00 0.00 O ATOM 559 CB SER A 39 0.282 10.685 -9.337 1.00 0.00 C ATOM 560 OG SER A 39 -0.013 10.332 -10.685 1.00 0.00 O ATOM 0 H SER A 39 2.214 10.466 -7.778 1.00 0.00 H new ATOM 0 HA SER A 39 -0.297 9.410 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.539 11.275 -8.929 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.171 11.316 -9.314 1.00 0.00 H new ATOM 0 HG SER A 39 -0.153 11.146 -11.213 1.00 0.00 H new ATOM 566 N MET A 40 1.676 7.711 -9.646 1.00 0.00 N ATOM 567 CA MET A 40 1.804 6.509 -10.452 1.00 0.00 C ATOM 568 C MET A 40 2.289 5.330 -9.608 1.00 0.00 C ATOM 569 O MET A 40 2.130 4.174 -9.998 1.00 0.00 O ATOM 570 CB MET A 40 2.791 6.762 -11.593 1.00 0.00 C ATOM 571 CG MET A 40 2.128 7.540 -12.731 1.00 0.00 C ATOM 572 SD MET A 40 1.840 6.460 -14.122 1.00 0.00 S ATOM 573 CE MET A 40 0.062 6.327 -14.048 1.00 0.00 C ATOM 0 H MET A 40 2.561 8.140 -9.376 1.00 0.00 H new ATOM 0 HA MET A 40 0.823 6.260 -10.857 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.649 7.320 -11.219 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.168 5.811 -11.970 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.185 7.966 -12.390 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.764 8.373 -13.032 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.288 5.682 -14.854 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.231 5.901 -13.088 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.382 7.317 -14.157 1.00 0.00 H new ATOM 583 N GLY A 41 2.871 5.662 -8.465 1.00 0.00 N ATOM 584 CA GLY A 41 3.381 4.645 -7.560 1.00 0.00 C ATOM 585 C GLY A 41 2.256 3.733 -7.070 1.00 0.00 C ATOM 586 O GLY A 41 2.196 2.561 -7.438 1.00 0.00 O ATOM 0 H GLY A 41 3.001 6.622 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.141 4.050 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.865 5.122 -6.707 1.00 0.00 H new ATOM 590 N THR A 42 1.389 4.305 -6.247 1.00 0.00 N ATOM 591 CA THR A 42 0.268 3.558 -5.702 1.00 0.00 C ATOM 592 C THR A 42 -0.315 2.623 -6.762 1.00 0.00 C ATOM 593 O THR A 42 -0.743 1.513 -6.449 1.00 0.00 O ATOM 594 CB THR A 42 -0.747 4.563 -5.154 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.065 4.063 -3.857 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.079 4.519 -5.906 1.00 0.00 C ATOM 0 H THR A 42 1.440 5.278 -5.944 1.00 0.00 H new ATOM 0 HA THR A 42 0.583 2.912 -4.882 1.00 0.00 H new ATOM 0 HB THR A 42 -0.330 5.568 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.717 4.656 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.763 5.251 -5.477 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.911 4.751 -6.958 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.513 3.523 -5.819 1.00 0.00 H new ATOM 604 N VAL A 43 -0.312 3.104 -7.997 1.00 0.00 N ATOM 605 CA VAL A 43 -0.835 2.325 -9.106 1.00 0.00 C ATOM 606 C VAL A 43 0.011 1.062 -9.280 1.00 0.00 C ATOM 607 O VAL A 43 -0.521 -0.046 -9.308 1.00 0.00 O ATOM 608 CB VAL A 43 -0.891 3.186 -10.370 1.00 0.00 C ATOM 609 CG1 VAL A 43 -1.356 2.363 -11.573 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.789 4.408 -10.161 1.00 0.00 C ATOM 0 H VAL A 43 0.045 4.024 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.857 2.006 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 43 0.118 3.543 -10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.387 2.998 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.661 1.540 -11.741 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.351 1.964 -11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.812 5.003 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.799 4.080 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.396 5.013 -9.343 1.00 0.00 H new ATOM 620 N GLN A 44 1.314 1.273 -9.393 1.00 0.00 N ATOM 621 CA GLN A 44 2.239 0.165 -9.563 1.00 0.00 C ATOM 622 C GLN A 44 2.083 -0.838 -8.419 1.00 0.00 C ATOM 623 O GLN A 44 2.013 -2.044 -8.651 1.00 0.00 O ATOM 624 CB GLN A 44 3.681 0.665 -9.661 1.00 0.00 C ATOM 625 CG GLN A 44 4.600 -0.419 -10.228 1.00 0.00 C ATOM 626 CD GLN A 44 5.689 0.192 -11.113 1.00 0.00 C ATOM 627 OE1 GLN A 44 5.697 1.377 -11.401 1.00 0.00 O ATOM 628 NE2 GLN A 44 6.603 -0.681 -11.526 1.00 0.00 N ATOM 0 H GLN A 44 1.751 2.194 -9.370 1.00 0.00 H new ATOM 0 HA GLN A 44 2.000 -0.341 -10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.721 1.549 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.033 0.966 -8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.060 -0.975 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.013 -1.132 -10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.536 -1.660 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.371 -0.372 -12.122 1.00 0.00 H new ATOM 637 N LEU A 45 2.032 -0.303 -7.208 1.00 0.00 N ATOM 638 CA LEU A 45 1.884 -1.135 -6.027 1.00 0.00 C ATOM 639 C LEU A 45 0.737 -2.124 -6.244 1.00 0.00 C ATOM 640 O LEU A 45 0.794 -3.259 -5.777 1.00 0.00 O ATOM 641 CB LEU A 45 1.722 -0.269 -4.777 1.00 0.00 C ATOM 642 CG LEU A 45 0.409 -0.439 -4.009 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.290 -1.851 -3.434 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.262 0.634 -2.929 1.00 0.00 C ATOM 0 H LEU A 45 2.091 0.698 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 45 2.786 -1.725 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.547 -0.486 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.816 0.777 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.416 -0.305 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.652 -1.945 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.317 -2.578 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.120 -2.038 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.679 0.490 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.091 0.557 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.270 1.620 -3.393 1.00 0.00 H new ATOM 656 N LEU A 46 -0.279 -1.655 -6.954 1.00 0.00 N ATOM 657 CA LEU A 46 -1.439 -2.482 -7.239 1.00 0.00 C ATOM 658 C LEU A 46 -1.026 -3.628 -8.165 1.00 0.00 C ATOM 659 O LEU A 46 -1.561 -4.732 -8.069 1.00 0.00 O ATOM 660 CB LEU A 46 -2.584 -1.630 -7.788 1.00 0.00 C ATOM 661 CG LEU A 46 -3.800 -1.471 -6.874 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.866 -0.588 -7.526 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.358 -2.834 -6.461 1.00 0.00 C ATOM 0 H LEU A 46 -0.323 -0.712 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.820 -2.932 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.195 -0.638 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.917 -2.067 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.478 -0.966 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.719 -0.492 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.449 0.399 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.191 -1.041 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.222 -2.692 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.660 -3.388 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.591 -3.395 -5.927 1.00 0.00 H new ATOM 675 N LEU A 47 -0.079 -3.327 -9.042 1.00 0.00 N ATOM 676 CA LEU A 47 0.411 -4.318 -9.984 1.00 0.00 C ATOM 677 C LEU A 47 1.090 -5.455 -9.216 1.00 0.00 C ATOM 678 O LEU A 47 0.954 -6.621 -9.580 1.00 0.00 O ATOM 679 CB LEU A 47 1.311 -3.662 -11.032 1.00 0.00 C ATOM 680 CG LEU A 47 1.154 -4.173 -12.466 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.750 -5.574 -12.616 1.00 0.00 C ATOM 682 CD2 LEU A 47 -0.309 -4.122 -12.910 1.00 0.00 C ATOM 0 H LEU A 47 0.362 -2.410 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.418 -4.758 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.119 -2.589 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.349 -3.801 -10.729 1.00 0.00 H new ATOM 0 HG LEU A 47 1.714 -3.512 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.626 -5.914 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.811 -5.546 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.238 -6.261 -11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.392 -4.491 -13.932 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.912 -4.745 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.667 -3.094 -12.865 1.00 0.00 H new ATOM 694 N GLU A 48 1.805 -5.073 -8.168 1.00 0.00 N ATOM 695 CA GLU A 48 2.505 -6.046 -7.346 1.00 0.00 C ATOM 696 C GLU A 48 1.532 -6.718 -6.375 1.00 0.00 C ATOM 697 O GLU A 48 1.777 -7.834 -5.920 1.00 0.00 O ATOM 698 CB GLU A 48 3.667 -5.393 -6.593 1.00 0.00 C ATOM 699 CG GLU A 48 5.013 -5.868 -7.144 1.00 0.00 C ATOM 700 CD GLU A 48 5.261 -5.307 -8.546 1.00 0.00 C ATOM 701 OE1 GLU A 48 4.619 -5.824 -9.485 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.087 -4.375 -8.646 1.00 0.00 O ATOM 0 H GLU A 48 1.915 -4.104 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 48 2.923 -6.812 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.597 -4.309 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.599 -5.634 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.815 -5.554 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.033 -6.957 -7.176 1.00 0.00 H new ATOM 709 N LEU A 49 0.450 -6.010 -6.086 1.00 0.00 N ATOM 710 CA LEU A 49 -0.561 -6.525 -5.178 1.00 0.00 C ATOM 711 C LEU A 49 -1.520 -7.432 -5.950 1.00 0.00 C ATOM 712 O LEU A 49 -2.337 -8.130 -5.353 1.00 0.00 O ATOM 713 CB LEU A 49 -1.256 -5.377 -4.444 1.00 0.00 C ATOM 714 CG LEU A 49 -0.556 -4.864 -3.184 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.489 -3.974 -2.362 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.005 -6.024 -2.358 1.00 0.00 C ATOM 0 H LEU A 49 0.251 -5.084 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.100 -7.136 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.368 -4.544 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.260 -5.702 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 49 0.289 -4.248 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.966 -3.623 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.798 -3.118 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.368 -4.545 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.497 -5.632 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.808 -6.686 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.726 -6.581 -2.956 1.00 0.00 H new ATOM 728 N GLN A 50 -1.389 -7.393 -7.269 1.00 0.00 N ATOM 729 CA GLN A 50 -2.235 -8.202 -8.130 1.00 0.00 C ATOM 730 C GLN A 50 -1.410 -9.301 -8.802 1.00 0.00 C ATOM 731 O GLN A 50 -1.889 -9.969 -9.717 1.00 0.00 O ATOM 732 CB GLN A 50 -2.948 -7.336 -9.170 1.00 0.00 C ATOM 733 CG GLN A 50 -3.796 -8.194 -10.109 1.00 0.00 C ATOM 734 CD GLN A 50 -5.051 -7.441 -10.557 1.00 0.00 C ATOM 735 OE1 GLN A 50 -5.828 -6.948 -9.757 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.203 -7.381 -11.877 1.00 0.00 N ATOM 0 H GLN A 50 -0.709 -6.814 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.001 -8.674 -7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.582 -6.606 -8.667 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.213 -6.776 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.206 -8.476 -10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.082 -9.117 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.514 -7.816 -12.490 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.009 -6.900 -12.276 1.00 0.00 H new ATOM 745 N SER A 51 -0.185 -9.454 -8.322 1.00 0.00 N ATOM 746 CA SER A 51 0.711 -10.461 -8.866 1.00 0.00 C ATOM 747 C SER A 51 1.072 -11.480 -7.784 1.00 0.00 C ATOM 748 O SER A 51 0.833 -12.676 -7.948 1.00 0.00 O ATOM 749 CB SER A 51 1.979 -9.820 -9.435 1.00 0.00 C ATOM 750 OG SER A 51 2.041 -9.927 -10.855 1.00 0.00 O ATOM 0 H SER A 51 0.208 -8.898 -7.563 1.00 0.00 H new ATOM 0 HA SER A 51 0.197 -10.972 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.013 -8.769 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.855 -10.298 -8.997 1.00 0.00 H new ATOM 0 HG SER A 51 2.864 -9.505 -11.179 1.00 0.00 H new ATOM 756 N GLN A 52 1.640 -10.970 -6.701 1.00 0.00 N ATOM 757 CA GLN A 52 2.035 -11.821 -5.592 1.00 0.00 C ATOM 758 C GLN A 52 0.833 -12.113 -4.692 1.00 0.00 C ATOM 759 O GLN A 52 0.805 -13.126 -3.995 1.00 0.00 O ATOM 760 CB GLN A 52 3.177 -11.188 -4.794 1.00 0.00 C ATOM 761 CG GLN A 52 4.385 -10.910 -5.691 1.00 0.00 C ATOM 762 CD GLN A 52 5.455 -11.989 -5.518 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.305 -13.122 -5.946 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.540 -11.575 -4.871 1.00 0.00 N ATOM 0 H GLN A 52 1.836 -9.978 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 52 2.399 -12.766 -5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.836 -10.258 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.469 -11.852 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.068 -10.871 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.805 -9.934 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.600 -10.612 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.313 -12.220 -4.706 1.00 0.00 H new ATOM 773 N PHE A 53 -0.133 -11.206 -4.736 1.00 0.00 N ATOM 774 CA PHE A 53 -1.335 -11.354 -3.933 1.00 0.00 C ATOM 775 C PHE A 53 -2.579 -11.434 -4.819 1.00 0.00 C ATOM 776 O PHE A 53 -3.671 -11.729 -4.337 1.00 0.00 O ATOM 777 CB PHE A 53 -1.434 -10.112 -3.045 1.00 0.00 C ATOM 778 CG PHE A 53 -0.098 -9.662 -2.452 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.844 -9.092 -3.252 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.150 -9.831 -1.126 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.085 -8.675 -2.702 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.390 -9.413 -0.576 1.00 0.00 C ATOM 783 CZ PHE A 53 2.332 -8.844 -1.376 1.00 0.00 C ATOM 0 H PHE A 53 -0.107 -10.367 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.281 -12.271 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.855 -9.293 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.131 -10.314 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.648 -8.957 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.597 -10.284 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.833 -8.224 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.586 -9.547 0.478 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.276 -8.527 -0.958 1.00 0.00 H new ATOM 793 N GLY A 54 -2.374 -11.163 -6.100 1.00 0.00 N ATOM 794 CA GLY A 54 -3.466 -11.201 -7.058 1.00 0.00 C ATOM 795 C GLY A 54 -4.688 -10.451 -6.525 1.00 0.00 C ATOM 796 O GLY A 54 -5.823 -10.867 -6.752 1.00 0.00 O ATOM 0 H GLY A 54 -1.467 -10.916 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.144 -10.757 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.734 -12.236 -7.269 1.00 0.00 H new ATOM 800 N VAL A 55 -4.415 -9.359 -5.827 1.00 0.00 N ATOM 801 CA VAL A 55 -5.478 -8.547 -5.260 1.00 0.00 C ATOM 802 C VAL A 55 -6.591 -8.377 -6.296 1.00 0.00 C ATOM 803 O VAL A 55 -6.328 -8.357 -7.497 1.00 0.00 O ATOM 804 CB VAL A 55 -4.912 -7.215 -4.765 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.462 -6.341 -5.938 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.930 -6.478 -3.892 1.00 0.00 C ATOM 0 H VAL A 55 -3.472 -9.017 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.915 -9.041 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.037 -7.430 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.064 -5.400 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.689 -6.861 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.313 -6.139 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.503 -5.534 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.832 -6.281 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.182 -7.093 -3.028 1.00 0.00 H new ATOM 816 N ASP A 56 -7.811 -8.258 -5.793 1.00 0.00 N ATOM 817 CA ASP A 56 -8.966 -8.090 -6.659 1.00 0.00 C ATOM 818 C ASP A 56 -9.579 -6.710 -6.421 1.00 0.00 C ATOM 819 O ASP A 56 -10.781 -6.593 -6.185 1.00 0.00 O ATOM 820 CB ASP A 56 -10.036 -9.142 -6.361 1.00 0.00 C ATOM 821 CG ASP A 56 -9.935 -10.422 -7.194 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.353 -10.367 -8.371 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.441 -11.425 -6.635 1.00 0.00 O ATOM 0 H ASP A 56 -8.025 -8.275 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.633 -8.199 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.978 -9.408 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.017 -8.697 -6.524 1.00 0.00 H new ATOM 828 N ALA A 57 -8.727 -5.697 -6.492 1.00 0.00 N ATOM 829 CA ALA A 57 -9.171 -4.329 -6.286 1.00 0.00 C ATOM 830 C ALA A 57 -9.121 -3.576 -7.618 1.00 0.00 C ATOM 831 O ALA A 57 -8.337 -3.920 -8.500 1.00 0.00 O ATOM 832 CB ALA A 57 -8.308 -3.668 -5.210 1.00 0.00 C ATOM 0 H ALA A 57 -7.731 -5.797 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.202 -4.309 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.641 -2.642 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.401 -4.224 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.266 -3.667 -5.529 1.00 0.00 H new ATOM 838 N PRO A 58 -9.993 -2.537 -7.723 1.00 0.00 N ATOM 839 CA PRO A 58 -10.055 -1.733 -8.931 1.00 0.00 C ATOM 840 C PRO A 58 -8.859 -0.785 -9.021 1.00 0.00 C ATOM 841 O PRO A 58 -8.221 -0.487 -8.012 1.00 0.00 O ATOM 842 CB PRO A 58 -11.387 -1.004 -8.850 1.00 0.00 C ATOM 843 CG PRO A 58 -11.807 -1.065 -7.391 1.00 0.00 C ATOM 844 CD PRO A 58 -10.937 -2.102 -6.698 1.00 0.00 C ATOM 0 HA PRO A 58 -9.999 -2.333 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.288 0.028 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.131 -1.477 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.688 -0.090 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.860 -1.333 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.420 -1.675 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.533 -2.936 -6.329 1.00 0.00 H new ATOM 852 N VAL A 59 -8.590 -0.336 -10.239 1.00 0.00 N ATOM 853 CA VAL A 59 -7.481 0.573 -10.474 1.00 0.00 C ATOM 854 C VAL A 59 -8.020 1.901 -11.008 1.00 0.00 C ATOM 855 O VAL A 59 -7.529 2.967 -10.640 1.00 0.00 O ATOM 856 CB VAL A 59 -6.460 -0.078 -11.410 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.163 0.732 -11.454 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.188 -1.527 -11.002 1.00 0.00 C ATOM 0 H VAL A 59 -9.121 -0.585 -11.073 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.958 0.786 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.884 -0.087 -12.414 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.454 0.248 -12.126 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.375 1.739 -11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.734 0.787 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.459 -1.966 -11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.795 -1.551 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.116 -2.098 -11.046 1.00 0.00 H new ATOM 868 N SER A 60 -9.023 1.794 -11.866 1.00 0.00 N ATOM 869 CA SER A 60 -9.634 2.973 -12.455 1.00 0.00 C ATOM 870 C SER A 60 -9.753 4.080 -11.405 1.00 0.00 C ATOM 871 O SER A 60 -9.271 5.192 -11.613 1.00 0.00 O ATOM 872 CB SER A 60 -11.009 2.647 -13.041 1.00 0.00 C ATOM 873 OG SER A 60 -11.803 1.877 -12.143 1.00 0.00 O ATOM 0 H SER A 60 -9.428 0.908 -12.168 1.00 0.00 H new ATOM 0 HA SER A 60 -8.996 3.319 -13.268 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.530 3.574 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.884 2.100 -13.975 1.00 0.00 H new ATOM 0 HG SER A 60 -12.673 1.691 -12.553 1.00 0.00 H new ATOM 879 N GLU A 61 -10.398 3.736 -10.300 1.00 0.00 N ATOM 880 CA GLU A 61 -10.587 4.686 -9.217 1.00 0.00 C ATOM 881 C GLU A 61 -10.712 3.951 -7.881 1.00 0.00 C ATOM 882 O GLU A 61 -11.811 3.810 -7.347 1.00 0.00 O ATOM 883 CB GLU A 61 -11.808 5.572 -9.472 1.00 0.00 C ATOM 884 CG GLU A 61 -11.391 7.024 -9.716 1.00 0.00 C ATOM 885 CD GLU A 61 -12.231 7.657 -10.826 1.00 0.00 C ATOM 886 OE1 GLU A 61 -12.472 6.951 -11.829 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.613 8.834 -10.648 1.00 0.00 O ATOM 0 H GLU A 61 -10.796 2.812 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.712 5.334 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.359 5.198 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.483 5.522 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.505 7.598 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.336 7.062 -9.987 1.00 0.00 H new ATOM 894 N PHE A 62 -9.571 3.501 -7.381 1.00 0.00 N ATOM 895 CA PHE A 62 -9.539 2.785 -6.118 1.00 0.00 C ATOM 896 C PHE A 62 -9.726 3.741 -4.938 1.00 0.00 C ATOM 897 O PHE A 62 -9.654 4.959 -5.105 1.00 0.00 O ATOM 898 CB PHE A 62 -8.162 2.127 -6.012 1.00 0.00 C ATOM 899 CG PHE A 62 -6.996 3.068 -6.321 1.00 0.00 C ATOM 900 CD1 PHE A 62 -6.719 4.104 -5.484 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.238 2.871 -7.432 1.00 0.00 C ATOM 902 CE1 PHE A 62 -5.637 4.979 -5.771 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.157 3.746 -7.719 1.00 0.00 C ATOM 904 CZ PHE A 62 -4.879 4.781 -6.882 1.00 0.00 C ATOM 0 H PHE A 62 -8.662 3.619 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.345 2.052 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.037 1.730 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.122 1.279 -6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.321 4.261 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.458 2.049 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.417 5.801 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.556 3.589 -8.602 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.056 5.446 -7.100 1.00 0.00 H new ATOM 914 N ASP A 63 -9.962 3.156 -3.774 1.00 0.00 N ATOM 915 CA ASP A 63 -10.161 3.942 -2.568 1.00 0.00 C ATOM 916 C ASP A 63 -8.801 4.383 -2.023 1.00 0.00 C ATOM 917 O ASP A 63 -8.152 3.640 -1.287 1.00 0.00 O ATOM 918 CB ASP A 63 -10.860 3.119 -1.484 1.00 0.00 C ATOM 919 CG ASP A 63 -11.330 3.920 -0.268 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.435 4.497 -0.361 1.00 0.00 O ATOM 921 OD2 ASP A 63 -10.573 3.937 0.727 1.00 0.00 O ATOM 0 H ASP A 63 -10.020 2.147 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.780 4.802 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.722 2.620 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.179 2.339 -1.145 1.00 0.00 H new ATOM 926 N ARG A 64 -8.410 5.590 -2.405 1.00 0.00 N ATOM 927 CA ARG A 64 -7.138 6.139 -1.964 1.00 0.00 C ATOM 928 C ARG A 64 -7.035 6.077 -0.438 1.00 0.00 C ATOM 929 O ARG A 64 -5.940 5.953 0.108 1.00 0.00 O ATOM 930 CB ARG A 64 -6.976 7.590 -2.421 1.00 0.00 C ATOM 931 CG ARG A 64 -6.249 7.663 -3.765 1.00 0.00 C ATOM 932 CD ARG A 64 -6.083 9.115 -4.219 1.00 0.00 C ATOM 933 NE ARG A 64 -5.466 9.916 -3.139 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.361 11.252 -3.160 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.829 11.945 -4.208 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.786 11.895 -2.135 1.00 0.00 N ATOM 0 H ARG A 64 -8.951 6.203 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.345 5.539 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.956 8.059 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.419 8.151 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.270 7.191 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.808 7.105 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.462 9.156 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.053 9.535 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.097 9.420 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.265 11.455 -4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.749 12.962 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.428 11.368 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.706 12.912 -2.151 1.00 0.00 H new ATOM 950 N LYS A 65 -8.188 6.167 0.205 1.00 0.00 N ATOM 951 CA LYS A 65 -8.242 6.122 1.657 1.00 0.00 C ATOM 952 C LYS A 65 -7.750 4.756 2.139 1.00 0.00 C ATOM 953 O LYS A 65 -7.183 4.644 3.225 1.00 0.00 O ATOM 954 CB LYS A 65 -9.642 6.483 2.153 1.00 0.00 C ATOM 955 CG LYS A 65 -9.907 5.880 3.534 1.00 0.00 C ATOM 956 CD LYS A 65 -10.728 6.836 4.402 1.00 0.00 C ATOM 957 CE LYS A 65 -9.839 7.922 5.012 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.420 9.262 4.772 1.00 0.00 N ATOM 0 H LYS A 65 -9.094 6.271 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.576 6.870 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.747 7.567 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.387 6.121 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.438 4.934 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.960 5.659 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.511 7.297 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.223 6.278 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.731 7.753 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.840 7.869 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.805 9.988 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.501 9.427 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.363 9.314 5.207 1.00 0.00 H new ATOM 972 N GLU A 66 -7.988 3.751 1.309 1.00 0.00 N ATOM 973 CA GLU A 66 -7.576 2.397 1.638 1.00 0.00 C ATOM 974 C GLU A 66 -6.143 2.147 1.165 1.00 0.00 C ATOM 975 O GLU A 66 -5.444 1.296 1.712 1.00 0.00 O ATOM 976 CB GLU A 66 -8.539 1.370 1.036 1.00 0.00 C ATOM 977 CG GLU A 66 -8.067 -0.057 1.320 1.00 0.00 C ATOM 978 CD GLU A 66 -9.231 -1.046 1.236 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.946 -0.995 0.212 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.379 -1.831 2.197 1.00 0.00 O ATOM 0 H GLU A 66 -8.460 3.847 0.410 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.604 2.283 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.537 1.516 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.615 1.524 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.294 -0.338 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.616 -0.104 2.311 1.00 0.00 H new ATOM 987 N TRP A 67 -5.748 2.905 0.153 1.00 0.00 N ATOM 988 CA TRP A 67 -4.410 2.777 -0.401 1.00 0.00 C ATOM 989 C TRP A 67 -3.603 4.005 0.026 1.00 0.00 C ATOM 990 O TRP A 67 -2.624 4.366 -0.625 1.00 0.00 O ATOM 991 CB TRP A 67 -4.459 2.592 -1.918 1.00 0.00 C ATOM 992 CG TRP A 67 -5.466 1.538 -2.383 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.698 1.733 -2.872 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.275 0.107 -2.385 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.312 0.538 -3.187 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.419 -0.482 -2.882 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.169 -0.663 -1.981 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.570 -1.867 -3.020 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.337 -2.046 -2.124 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.483 -2.655 -2.622 1.00 0.00 C ATOM 0 H TRP A 67 -6.331 3.610 -0.298 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.917 1.884 -0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.707 3.546 -2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.467 2.313 -2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.153 2.703 -3.003 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.249 0.424 -3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.263 -0.223 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.476 -2.304 -3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.518 -2.684 -1.826 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.535 -3.731 -2.702 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.043 4.614 1.118 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.373 5.793 1.638 1.00 0.00 C ATOM 1013 C ASP A 68 -2.463 5.388 2.799 1.00 0.00 C ATOM 1014 O ASP A 68 -1.405 5.981 2.999 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.385 6.813 2.165 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.853 7.749 3.253 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.780 8.344 3.015 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.533 7.848 4.297 1.00 0.00 O ATOM 0 H ASP A 68 -4.855 4.313 1.656 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.798 6.240 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.739 7.416 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.248 6.276 2.559 1.00 0.00 H new ATOM 1023 N THR A 69 -2.908 4.379 3.533 1.00 0.00 N ATOM 1024 CA THR A 69 -2.147 3.886 4.669 1.00 0.00 C ATOM 1025 C THR A 69 -1.683 2.450 4.418 1.00 0.00 C ATOM 1026 O THR A 69 -2.239 1.754 3.570 1.00 0.00 O ATOM 1027 CB THR A 69 -3.015 4.035 5.920 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.340 3.804 5.452 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.049 5.473 6.442 1.00 0.00 C ATOM 0 H THR A 69 -3.786 3.889 3.363 1.00 0.00 H new ATOM 0 HA THR A 69 -1.236 4.467 4.817 1.00 0.00 H new ATOM 0 HB THR A 69 -2.641 3.374 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.763 4.660 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.679 5.523 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.038 5.792 6.696 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.455 6.130 5.673 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.642 2.038 5.191 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.098 0.698 5.061 1.00 0.00 C ATOM 1039 C PRO A 70 -1.027 -0.336 5.700 1.00 0.00 C ATOM 1040 O PRO A 70 -1.092 -1.479 5.251 1.00 0.00 O ATOM 1041 CB PRO A 70 1.267 0.762 5.726 1.00 0.00 C ATOM 1042 CG PRO A 70 1.243 2.000 6.609 1.00 0.00 C ATOM 1043 CD PRO A 70 0.040 2.836 6.205 1.00 0.00 C ATOM 0 HA PRO A 70 -0.006 0.380 4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.457 -0.135 6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.061 0.828 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.177 1.718 7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.163 2.572 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.610 3.032 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.346 3.804 5.808 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.722 0.103 6.739 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.644 -0.770 7.446 1.00 0.00 C ATOM 1053 C ASN A 71 -3.848 -1.066 6.548 1.00 0.00 C ATOM 1054 O ASN A 71 -4.198 -2.226 6.336 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.160 -0.108 8.725 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.783 -0.930 9.959 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.726 -2.148 9.931 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.527 -0.198 11.038 1.00 0.00 N ATOM 0 H ASN A 71 -1.665 1.052 7.108 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.111 -1.685 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.745 0.896 8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.243 -0.001 8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.264 -0.653 11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.594 0.819 10.992 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.447 0.003 6.045 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.604 -0.128 5.175 1.00 0.00 C ATOM 1067 C LYS A 72 -5.258 -1.058 4.010 1.00 0.00 C ATOM 1068 O LYS A 72 -6.109 -1.811 3.538 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.102 1.250 4.734 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.332 1.672 5.540 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.263 3.155 5.909 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.664 3.766 5.989 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.482 3.056 6.997 1.00 0.00 N ATOM 0 H LYS A 72 -4.153 0.963 6.223 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.435 -0.585 5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.308 1.986 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.348 1.229 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.235 1.479 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.401 1.071 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.756 3.272 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.670 3.691 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.592 4.822 6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.148 3.710 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.340 3.608 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.750 2.121 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.931 2.940 7.872 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.008 -0.976 3.579 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.540 -1.800 2.479 1.00 0.00 C ATOM 1089 C ILE A 73 -3.268 -3.217 2.989 1.00 0.00 C ATOM 1090 O ILE A 73 -3.798 -4.188 2.448 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.334 -1.150 1.797 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.737 0.140 1.082 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.639 -2.136 0.855 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.543 0.761 0.355 1.00 0.00 C ATOM 0 H ILE A 73 -3.305 -0.351 3.972 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.308 -1.879 1.709 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.612 -0.878 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.533 -0.070 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.137 0.851 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.786 -1.649 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.295 -3.001 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.341 -2.462 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.858 1.677 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.758 0.992 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.161 0.057 -0.384 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.444 -3.292 4.023 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.096 -4.574 4.612 1.00 0.00 C ATOM 1108 C ILE A 74 -3.370 -5.393 4.828 1.00 0.00 C ATOM 1109 O ILE A 74 -3.323 -6.622 4.868 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.270 -4.373 5.883 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.228 -4.402 5.575 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.654 -5.396 6.954 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.048 -3.989 6.799 1.00 0.00 C ATOM 0 H ILE A 74 -2.007 -2.485 4.469 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.461 -5.145 3.935 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.497 -3.385 6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.519 -5.404 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.445 -3.731 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.052 -5.231 7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.709 -5.284 7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.475 -6.403 6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.109 -4.018 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.772 -2.977 7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.847 -4.677 7.620 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.478 -4.680 4.964 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.762 -5.325 5.176 1.00 0.00 C ATOM 1127 C ALA A 75 -6.394 -5.651 3.820 1.00 0.00 C ATOM 1128 O ALA A 75 -7.026 -6.694 3.661 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.653 -4.423 6.032 1.00 0.00 C ATOM 0 H ALA A 75 -4.513 -3.661 4.931 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.635 -6.263 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.616 -4.908 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.173 -4.246 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.805 -3.472 5.522 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.202 -4.738 2.879 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.746 -4.915 1.544 1.00 0.00 C ATOM 1137 C LYS A 76 -6.066 -6.112 0.876 1.00 0.00 C ATOM 1138 O LYS A 76 -6.653 -6.761 0.011 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.630 -3.617 0.742 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.506 -3.667 -0.512 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.953 -4.012 -0.156 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.901 -3.649 -1.302 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.878 -4.737 -1.531 1.00 0.00 N ATOM 0 H LYS A 76 -5.677 -3.874 3.015 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.812 -5.139 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.927 -2.773 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.591 -3.453 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.473 -2.704 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.112 -4.409 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.033 -5.077 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.247 -3.477 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.427 -2.723 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.329 -3.469 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.513 -4.475 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.372 -5.612 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.436 -4.890 -0.667 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.839 -6.369 1.303 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.073 -7.477 0.757 1.00 0.00 C ATOM 1159 C VAL A 77 -4.647 -8.795 1.281 1.00 0.00 C ATOM 1160 O VAL A 77 -4.817 -9.748 0.522 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.589 -7.301 1.085 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.769 -8.484 0.568 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.058 -5.978 0.525 1.00 0.00 C ATOM 0 H VAL A 77 -4.356 -5.829 2.021 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.152 -7.496 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.486 -7.272 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.718 -8.334 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.123 -9.403 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.881 -8.559 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.001 -5.877 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.181 -5.966 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.614 -5.149 0.962 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.931 -8.807 2.575 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.484 -9.992 3.209 1.00 0.00 C ATOM 1175 C GLU A 78 -6.979 -10.108 2.908 1.00 0.00 C ATOM 1176 O GLU A 78 -7.529 -11.207 2.886 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.227 -9.977 4.717 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.732 -9.851 5.017 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.187 -11.139 5.639 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.150 -12.151 4.908 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.820 -11.082 6.833 1.00 0.00 O ATOM 0 H GLU A 78 -4.789 -8.015 3.202 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.983 -10.868 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.764 -9.145 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.616 -10.892 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.190 -9.629 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.563 -9.015 5.696 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.595 -8.956 2.685 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.018 -8.914 2.388 1.00 0.00 C ATOM 1190 C GLN A 79 -9.246 -9.007 0.878 1.00 0.00 C ATOM 1191 O GLN A 79 -10.310 -8.639 0.383 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.660 -7.649 2.961 1.00 0.00 C ATOM 1193 CG GLN A 79 -9.877 -7.781 4.471 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.658 -6.586 5.019 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -11.875 -6.528 4.966 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.891 -5.636 5.548 1.00 0.00 N ATOM 0 H GLN A 79 -7.136 -8.045 2.704 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.495 -9.772 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.024 -6.788 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.614 -7.465 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.418 -8.703 4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.913 -7.853 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.877 -5.747 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.317 -4.797 5.941 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.229 -9.503 0.187 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.307 -9.651 -1.256 1.00 0.00 C ATOM 1207 C ALA A 80 -8.072 -11.116 -1.629 1.00 0.00 C ATOM 1208 O ALA A 80 -8.767 -11.662 -2.484 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.297 -8.712 -1.920 1.00 0.00 C ATOM 0 H ALA A 80 -7.347 -9.807 0.600 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.298 -9.374 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.355 -8.822 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.525 -7.681 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.291 -8.963 -1.583 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.090 -11.711 -0.967 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.755 -13.102 -1.218 1.00 0.00 C ATOM 1217 C GLN A 81 -8.022 -13.959 -1.231 1.00 0.00 C ATOM 1218 O GLN A 81 -8.459 -14.413 -2.288 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.753 -13.620 -0.184 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.490 -12.757 -0.165 1.00 0.00 C ATOM 1221 CD GLN A 81 -4.030 -12.488 1.269 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -4.432 -13.151 2.211 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.168 -11.481 1.382 1.00 0.00 N ATOM 0 H GLN A 81 -6.516 -11.255 -0.258 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.283 -13.171 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.212 -13.621 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.489 -14.652 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.695 -13.258 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.684 -11.812 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.873 -10.967 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.803 -11.223 2.299 1.00 0.00 H new