USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 153:sc= 0.181 USER MOD Set 2.2: A 71 SER OG : rot 119:sc= 0.153 USER MOD Set 3.1: A 17 SER OG : rot 23:sc= -1.24 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 43 ASN :FLIP amide:sc= -5.68! C(o=-5.1!,f=-4.5!) USER MOD Set 4.2: A 58 THR OG1 : rot -155:sc= 1.19 USER MOD Set 5.1: A 24 LYS NZ :NH3+ 159:sc= 0.255 (180deg=0) USER MOD Set 5.2: A 28 GLN :FLIP amide:sc= 0.246 F(o=-0.16,f=0.5) USER MOD Set 6.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 93 ASN : amide:sc= -0.613 K(o=-0.61,f=-8.7!) USER MOD Single : A 10 ASN : amide:sc= -7.21! C(o=-7.2!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 20:sc= -0.535 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.6) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 60:sc= -1.6 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.15 K(o=-5.2,f=-7.4!) USER MOD Single : A 40 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.135 F(o=-1.9!,f=-0.13) USER MOD Single : A 53 SER OG : rot 162:sc= -1.61 USER MOD Single : A 54 ASN : amide:sc= -2.88 K(o=-2.9,f=-4.3!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 TYR OH : rot -41:sc= 2.02 USER MOD Single : A 61 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.7) USER MOD Single : A 67 SER OG : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 77 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 48:sc= 0.937 USER MOD Single : A 83 SER OG : rot -110:sc= -1.04 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.9! C(o=-6.7!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -179:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.224 -5.195 -5.034 1.00 0.00 N ATOM 59 CA PHE A 4 12.046 -6.208 -5.698 1.00 0.00 C ATOM 60 C PHE A 4 13.500 -6.102 -5.250 1.00 0.00 C ATOM 61 O PHE A 4 14.157 -7.111 -5.009 1.00 0.00 O ATOM 62 CB PHE A 4 11.943 -6.083 -7.226 1.00 0.00 C ATOM 63 CG PHE A 4 12.741 -4.952 -7.818 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.197 -3.684 -7.919 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.035 -5.161 -8.274 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.925 -2.643 -8.463 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.768 -4.122 -8.819 1.00 0.00 C ATOM 68 CZ PHE A 4 14.212 -2.862 -8.913 1.00 0.00 C ATOM 0 HA PHE A 4 11.668 -7.189 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.274 -7.019 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.895 -5.952 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.191 -3.506 -7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.474 -6.145 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.487 -1.658 -8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.774 -4.296 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.782 -2.049 -9.338 1.00 0.00 H new ATOM 78 N ILE A 5 13.998 -4.875 -5.138 1.00 0.00 N ATOM 79 CA ILE A 5 15.376 -4.661 -4.722 1.00 0.00 C ATOM 80 C ILE A 5 15.620 -5.189 -3.308 1.00 0.00 C ATOM 81 O ILE A 5 16.756 -5.479 -2.934 1.00 0.00 O ATOM 82 CB ILE A 5 15.767 -3.168 -4.798 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.285 -3.022 -4.673 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.054 -2.358 -3.719 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.031 -3.243 -5.974 1.00 0.00 C ATOM 0 H ILE A 5 13.472 -4.022 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 5 16.005 -5.219 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 5 15.453 -2.776 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.515 -2.025 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.649 -3.733 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.348 -1.311 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.976 -2.443 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.329 -2.740 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.101 -3.123 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.833 -4.250 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.696 -2.515 -6.713 1.00 0.00 H new ATOM 97 N GLU A 6 14.549 -5.338 -2.535 1.00 0.00 N ATOM 98 CA GLU A 6 14.664 -5.855 -1.172 1.00 0.00 C ATOM 99 C GLU A 6 14.980 -7.354 -1.189 1.00 0.00 C ATOM 100 O GLU A 6 15.548 -7.889 -0.235 1.00 0.00 O ATOM 101 CB GLU A 6 13.369 -5.600 -0.391 1.00 0.00 C ATOM 102 CG GLU A 6 13.317 -4.239 0.291 1.00 0.00 C ATOM 103 CD GLU A 6 14.159 -4.177 1.552 1.00 0.00 C ATOM 104 OE1 GLU A 6 15.201 -4.861 1.606 1.00 0.00 O ATOM 105 OE2 GLU A 6 13.774 -3.440 2.486 1.00 0.00 O ATOM 0 H GLU A 6 13.598 -5.111 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 6 15.482 -5.332 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.522 -5.687 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.252 -6.378 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.660 -3.475 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.282 -4.002 0.539 1.00 0.00 H new ATOM 112 N THR A 7 14.615 -8.026 -2.282 1.00 0.00 N ATOM 113 CA THR A 7 14.870 -9.459 -2.428 1.00 0.00 C ATOM 114 C THR A 7 15.775 -9.765 -3.632 1.00 0.00 C ATOM 115 O THR A 7 16.137 -10.920 -3.865 1.00 0.00 O ATOM 116 CB THR A 7 13.550 -10.222 -2.553 1.00 0.00 C ATOM 117 OG1 THR A 7 12.733 -9.650 -3.558 1.00 0.00 O ATOM 118 CG2 THR A 7 12.752 -10.247 -1.265 1.00 0.00 C ATOM 0 H THR A 7 14.142 -7.600 -3.079 1.00 0.00 H new ATOM 0 HA THR A 7 15.395 -9.789 -1.532 1.00 0.00 H new ATOM 0 HB THR A 7 13.828 -11.244 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.895 -10.153 -3.624 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.828 -10.803 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.338 -10.729 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.515 -9.227 -0.964 1.00 0.00 H new ATOM 126 N CYS A 8 16.124 -8.736 -4.402 1.00 0.00 N ATOM 127 CA CYS A 8 16.974 -8.915 -5.578 1.00 0.00 C ATOM 128 C CYS A 8 18.383 -8.368 -5.331 1.00 0.00 C ATOM 129 O CYS A 8 18.571 -7.445 -4.539 1.00 0.00 O ATOM 130 CB CYS A 8 16.350 -8.226 -6.798 1.00 0.00 C ATOM 131 SG CYS A 8 14.693 -8.844 -7.245 1.00 0.00 S ATOM 0 H CYS A 8 15.833 -7.773 -4.234 1.00 0.00 H new ATOM 0 HA CYS A 8 17.053 -9.984 -5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.285 -7.156 -6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.015 -8.354 -7.652 1.00 0.00 H new ATOM 136 N ARG A 9 19.365 -8.946 -6.023 1.00 0.00 N ATOM 137 CA ARG A 9 20.764 -8.530 -5.895 1.00 0.00 C ATOM 138 C ARG A 9 21.395 -8.327 -7.270 1.00 0.00 C ATOM 139 O ARG A 9 20.779 -8.629 -8.292 1.00 0.00 O ATOM 140 CB ARG A 9 21.577 -9.566 -5.110 1.00 0.00 C ATOM 141 CG ARG A 9 21.389 -10.993 -5.603 1.00 0.00 C ATOM 142 CD ARG A 9 22.588 -11.873 -5.274 1.00 0.00 C ATOM 143 NE ARG A 9 23.748 -11.535 -6.091 1.00 0.00 N ATOM 144 CZ ARG A 9 24.977 -11.994 -5.875 1.00 0.00 C ATOM 145 NH1 ARG A 9 25.236 -12.788 -4.839 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.952 -11.652 -6.703 1.00 0.00 N ATOM 0 H ARG A 9 19.217 -9.709 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 9 20.777 -7.586 -5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.634 -9.307 -5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.296 -9.514 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.493 -11.418 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.229 -10.986 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.841 -11.763 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.325 -12.919 -5.431 1.00 0.00 H new ATOM 0 HE ARG A 9 23.607 -10.905 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.487 -13.052 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.183 -13.133 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.756 -11.042 -7.497 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.899 -11.998 -6.547 1.00 0.00 H new ATOM 160 N ASN A 10 22.626 -7.813 -7.288 1.00 0.00 N ATOM 161 CA ASN A 10 23.357 -7.569 -8.533 1.00 0.00 C ATOM 162 C ASN A 10 22.500 -6.856 -9.576 1.00 0.00 C ATOM 163 O ASN A 10 22.324 -7.344 -10.694 1.00 0.00 O ATOM 164 CB ASN A 10 23.909 -8.885 -9.097 1.00 0.00 C ATOM 165 CG ASN A 10 22.820 -9.846 -9.526 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.243 -10.557 -8.704 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.536 -9.876 -10.823 1.00 0.00 N ATOM 0 H ASN A 10 23.142 -7.556 -6.446 1.00 0.00 H new ATOM 0 HA ASN A 10 24.190 -6.907 -8.295 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.551 -8.667 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.533 -9.364 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.814 -10.506 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.040 -9.269 -11.470 1.00 0.00 H new ATOM 174 N THR A 11 21.991 -5.683 -9.210 1.00 0.00 N ATOM 175 CA THR A 11 21.176 -4.886 -10.119 1.00 0.00 C ATOM 176 C THR A 11 22.071 -4.150 -11.106 1.00 0.00 C ATOM 177 O THR A 11 23.065 -3.540 -10.717 1.00 0.00 O ATOM 178 CB THR A 11 20.333 -3.881 -9.336 1.00 0.00 C ATOM 179 OG1 THR A 11 21.163 -2.995 -8.609 1.00 0.00 O ATOM 180 CG2 THR A 11 19.388 -4.533 -8.352 1.00 0.00 C ATOM 0 H THR A 11 22.129 -5.264 -8.290 1.00 0.00 H new ATOM 0 HA THR A 11 20.509 -5.553 -10.666 1.00 0.00 H new ATOM 0 HB THR A 11 19.744 -3.350 -10.084 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.065 -3.002 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.819 -3.764 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.703 -5.190 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.960 -5.115 -7.630 1.00 0.00 H new ATOM 188 N GLN A 12 21.722 -4.218 -12.382 1.00 0.00 N ATOM 189 CA GLN A 12 22.512 -3.565 -13.418 1.00 0.00 C ATOM 190 C GLN A 12 21.696 -3.322 -14.676 1.00 0.00 C ATOM 191 O GLN A 12 20.620 -3.895 -14.854 1.00 0.00 O ATOM 192 CB GLN A 12 23.764 -4.372 -13.742 1.00 0.00 C ATOM 193 CG GLN A 12 23.472 -5.744 -14.310 1.00 0.00 C ATOM 194 CD GLN A 12 24.606 -6.264 -15.164 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.779 -6.128 -14.814 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.261 -6.860 -16.297 1.00 0.00 N ATOM 0 H GLN A 12 20.901 -4.716 -12.725 1.00 0.00 H new ATOM 0 HA GLN A 12 22.818 -2.595 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.371 -3.814 -14.456 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.359 -4.483 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.286 -6.441 -13.493 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.561 -5.702 -14.906 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.276 -6.950 -16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.980 -7.228 -16.919 1.00 0.00 H new ATOM 205 N LEU A 13 22.212 -2.461 -15.541 1.00 0.00 N ATOM 206 CA LEU A 13 21.528 -2.126 -16.778 1.00 0.00 C ATOM 207 C LEU A 13 22.065 -2.933 -17.947 1.00 0.00 C ATOM 208 O LEU A 13 23.276 -3.077 -18.121 1.00 0.00 O ATOM 209 CB LEU A 13 21.697 -0.643 -17.092 1.00 0.00 C ATOM 210 CG LEU A 13 20.914 -0.161 -18.316 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.739 0.702 -17.892 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.820 0.601 -19.276 1.00 0.00 C ATOM 0 H LEU A 13 23.103 -1.982 -15.407 1.00 0.00 H new ATOM 0 HA LEU A 13 20.473 -2.363 -16.638 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.384 -0.063 -16.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.756 -0.436 -17.249 1.00 0.00 H new ATOM 0 HG LEU A 13 20.528 -1.037 -18.838 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.195 1.035 -18.776 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.073 0.122 -17.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.104 1.570 -17.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.240 0.933 -20.137 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.242 1.467 -18.767 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.626 -0.052 -19.611 1.00 0.00 H new ATOM 224 N ALA A 14 21.150 -3.439 -18.760 1.00 0.00 N ATOM 225 CA ALA A 14 21.498 -4.212 -19.932 1.00 0.00 C ATOM 226 C ALA A 14 20.967 -3.508 -21.174 1.00 0.00 C ATOM 227 O ALA A 14 19.918 -2.866 -21.127 1.00 0.00 O ATOM 228 CB ALA A 14 20.928 -5.620 -19.817 1.00 0.00 C ATOM 0 H ALA A 14 20.146 -3.323 -18.622 1.00 0.00 H new ATOM 0 HA ALA A 14 22.582 -4.293 -20.011 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.195 -6.194 -20.704 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.338 -6.107 -18.932 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.843 -5.567 -19.732 1.00 0.00 H new ATOM 234 N GLY A 15 21.705 -3.594 -22.273 1.00 0.00 N ATOM 235 CA GLY A 15 21.287 -2.923 -23.491 1.00 0.00 C ATOM 236 C GLY A 15 21.094 -1.437 -23.266 1.00 0.00 C ATOM 237 O GLY A 15 21.787 -0.841 -22.439 1.00 0.00 O ATOM 0 H GLY A 15 22.580 -4.113 -22.344 1.00 0.00 H new ATOM 0 HA2 GLY A 15 22.034 -3.081 -24.269 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.356 -3.362 -23.849 1.00 0.00 H new ATOM 241 N SER A 16 20.190 -0.821 -24.019 1.00 0.00 N ATOM 242 CA SER A 16 19.972 0.617 -23.894 1.00 0.00 C ATOM 243 C SER A 16 18.970 0.970 -22.798 1.00 0.00 C ATOM 244 O SER A 16 19.146 1.972 -22.104 1.00 0.00 O ATOM 245 CB SER A 16 19.459 1.184 -25.216 1.00 0.00 C ATOM 246 OG SER A 16 20.113 0.589 -26.322 1.00 0.00 O ATOM 0 H SER A 16 19.604 -1.285 -24.713 1.00 0.00 H new ATOM 0 HA SER A 16 20.935 1.054 -23.628 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.385 1.016 -25.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.615 2.263 -25.236 1.00 0.00 H new ATOM 0 HG SER A 16 19.762 0.971 -27.154 1.00 0.00 H new ATOM 252 N SER A 17 17.920 0.170 -22.639 1.00 0.00 N ATOM 253 CA SER A 17 16.919 0.468 -21.624 1.00 0.00 C ATOM 254 C SER A 17 16.395 -0.781 -20.910 1.00 0.00 C ATOM 255 O SER A 17 15.216 -0.853 -20.572 1.00 0.00 O ATOM 256 CB SER A 17 15.765 1.249 -22.256 1.00 0.00 C ATOM 257 OG SER A 17 15.465 0.763 -23.551 1.00 0.00 O ATOM 0 H SER A 17 17.743 -0.672 -23.187 1.00 0.00 H new ATOM 0 HA SER A 17 17.405 1.074 -20.859 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.881 1.173 -21.623 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.026 2.306 -22.313 1.00 0.00 H new ATOM 0 HG SER A 17 15.775 -0.163 -23.633 1.00 0.00 H new ATOM 263 N GLU A 18 17.275 -1.749 -20.667 1.00 0.00 N ATOM 264 CA GLU A 18 16.890 -2.974 -19.961 1.00 0.00 C ATOM 265 C GLU A 18 17.591 -3.097 -18.615 1.00 0.00 C ATOM 266 O GLU A 18 18.721 -2.640 -18.446 1.00 0.00 O ATOM 267 CB GLU A 18 17.167 -4.225 -20.798 1.00 0.00 C ATOM 268 CG GLU A 18 16.076 -4.534 -21.805 1.00 0.00 C ATOM 269 CD GLU A 18 16.396 -4.054 -23.205 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.949 -2.944 -23.343 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.090 -4.791 -24.166 1.00 0.00 O ATOM 0 H GLU A 18 18.255 -1.712 -20.946 1.00 0.00 H new ATOM 0 HA GLU A 18 15.816 -2.900 -19.789 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.112 -4.097 -21.326 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.287 -5.079 -20.131 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.907 -5.611 -21.828 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.145 -4.072 -21.474 1.00 0.00 H new ATOM 278 N LEU A 19 16.908 -3.729 -17.665 1.00 0.00 N ATOM 279 CA LEU A 19 17.454 -3.940 -16.330 1.00 0.00 C ATOM 280 C LEU A 19 17.481 -5.430 -16.031 1.00 0.00 C ATOM 281 O LEU A 19 16.444 -6.093 -16.058 1.00 0.00 O ATOM 282 CB LEU A 19 16.611 -3.210 -15.279 1.00 0.00 C ATOM 283 CG LEU A 19 16.867 -3.618 -13.822 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.337 -3.465 -13.457 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.998 -2.791 -12.888 1.00 0.00 C ATOM 0 H LEU A 19 15.969 -4.106 -17.797 1.00 0.00 H new ATOM 0 HA LEU A 19 18.467 -3.539 -16.293 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.791 -2.139 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.558 -3.377 -15.504 1.00 0.00 H new ATOM 0 HG LEU A 19 16.604 -4.670 -13.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.487 -3.762 -12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.941 -4.099 -14.106 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.637 -2.425 -13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.187 -3.088 -11.857 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.235 -1.734 -13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.947 -2.957 -13.126 1.00 0.00 H new ATOM 297 N ALA A 20 18.656 -5.959 -15.729 1.00 0.00 N ATOM 298 CA ALA A 20 18.786 -7.365 -15.416 1.00 0.00 C ATOM 299 C ALA A 20 19.288 -7.531 -13.986 1.00 0.00 C ATOM 300 O ALA A 20 20.093 -6.736 -13.503 1.00 0.00 O ATOM 301 CB ALA A 20 19.713 -8.033 -16.418 1.00 0.00 C ATOM 0 H ALA A 20 19.530 -5.433 -15.695 1.00 0.00 H new ATOM 0 HA ALA A 20 17.813 -7.851 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.807 -9.092 -16.177 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.303 -7.924 -17.422 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.695 -7.563 -16.375 1.00 0.00 H new ATOM 307 N ALA A 21 18.791 -8.552 -13.307 1.00 0.00 N ATOM 308 CA ALA A 21 19.168 -8.805 -11.921 1.00 0.00 C ATOM 309 C ALA A 21 18.843 -10.239 -11.521 1.00 0.00 C ATOM 310 O ALA A 21 18.171 -10.958 -12.258 1.00 0.00 O ATOM 311 CB ALA A 21 18.470 -7.821 -10.995 1.00 0.00 C ATOM 0 H ALA A 21 18.124 -9.221 -13.692 1.00 0.00 H new ATOM 0 HA ALA A 21 20.245 -8.665 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.761 -8.022 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.758 -6.804 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.390 -7.931 -11.095 1.00 0.00 H new ATOM 317 N GLU A 22 19.276 -10.637 -10.330 1.00 0.00 N ATOM 318 CA GLU A 22 18.967 -11.963 -9.822 1.00 0.00 C ATOM 319 C GLU A 22 18.057 -11.809 -8.612 1.00 0.00 C ATOM 320 O GLU A 22 18.314 -10.977 -7.740 1.00 0.00 O ATOM 321 CB GLU A 22 20.239 -12.728 -9.438 1.00 0.00 C ATOM 322 CG GLU A 22 21.233 -12.887 -10.578 1.00 0.00 C ATOM 323 CD GLU A 22 21.548 -14.340 -10.882 1.00 0.00 C ATOM 324 OE1 GLU A 22 21.444 -15.176 -9.960 1.00 0.00 O ATOM 325 OE2 GLU A 22 21.903 -14.641 -12.042 1.00 0.00 O ATOM 0 H GLU A 22 19.839 -10.062 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 22 18.469 -12.540 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.728 -12.209 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.960 -13.716 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.832 -12.411 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.156 -12.365 -10.326 1.00 0.00 H new ATOM 332 N CYS A 23 16.987 -12.587 -8.555 1.00 0.00 N ATOM 333 CA CYS A 23 16.055 -12.485 -7.444 1.00 0.00 C ATOM 334 C CYS A 23 15.749 -13.850 -6.845 1.00 0.00 C ATOM 335 O CYS A 23 15.485 -14.814 -7.561 1.00 0.00 O ATOM 336 CB CYS A 23 14.770 -11.799 -7.908 1.00 0.00 C ATOM 337 SG CYS A 23 15.050 -10.192 -8.720 1.00 0.00 S ATOM 0 H CYS A 23 16.745 -13.287 -9.256 1.00 0.00 H new ATOM 0 HA CYS A 23 16.519 -11.884 -6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.245 -12.459 -8.599 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.116 -11.653 -7.048 1.00 0.00 H new ATOM 342 N LYS A 24 15.811 -13.923 -5.523 1.00 0.00 N ATOM 343 CA LYS A 24 15.562 -15.169 -4.814 1.00 0.00 C ATOM 344 C LYS A 24 14.122 -15.639 -4.990 1.00 0.00 C ATOM 345 O LYS A 24 13.182 -14.847 -4.932 1.00 0.00 O ATOM 346 CB LYS A 24 15.883 -15.003 -3.323 1.00 0.00 C ATOM 347 CG LYS A 24 15.015 -13.966 -2.624 1.00 0.00 C ATOM 348 CD LYS A 24 14.734 -14.350 -1.179 1.00 0.00 C ATOM 349 CE LYS A 24 15.767 -13.768 -0.227 1.00 0.00 C ATOM 350 NZ LYS A 24 15.496 -14.160 1.184 1.00 0.00 N ATOM 0 H LYS A 24 16.032 -13.132 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 24 16.215 -15.929 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.759 -15.964 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.930 -14.721 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.512 -12.996 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.073 -13.858 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.741 -13.999 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.726 -15.436 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.761 -14.109 -0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.767 -12.681 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.367 -14.065 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.760 -13.541 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.171 -15.148 1.214 1.00 0.00 H new ATOM 364 N THR A 25 13.961 -16.942 -5.202 1.00 0.00 N ATOM 365 CA THR A 25 12.640 -17.528 -5.384 1.00 0.00 C ATOM 366 C THR A 25 12.018 -17.885 -4.041 1.00 0.00 C ATOM 367 O THR A 25 12.602 -17.622 -2.989 1.00 0.00 O ATOM 368 CB THR A 25 12.720 -18.771 -6.270 1.00 0.00 C ATOM 369 OG1 THR A 25 13.457 -19.797 -5.630 1.00 0.00 O ATOM 370 CG2 THR A 25 13.365 -18.506 -7.612 1.00 0.00 C ATOM 0 H THR A 25 14.730 -17.611 -5.252 1.00 0.00 H new ATOM 0 HA THR A 25 12.008 -16.788 -5.874 1.00 0.00 H new ATOM 0 HB THR A 25 11.687 -19.076 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.495 -20.584 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.391 -19.429 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.788 -17.755 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.382 -18.143 -7.462 1.00 0.00 H new ATOM 378 N ARG A 26 10.830 -18.478 -4.078 1.00 0.00 N ATOM 379 CA ARG A 26 10.134 -18.863 -2.859 1.00 0.00 C ATOM 380 C ARG A 26 10.946 -19.881 -2.063 1.00 0.00 C ATOM 381 O ARG A 26 10.837 -19.953 -0.839 1.00 0.00 O ATOM 382 CB ARG A 26 8.756 -19.438 -3.198 1.00 0.00 C ATOM 383 CG ARG A 26 7.823 -18.432 -3.862 1.00 0.00 C ATOM 384 CD ARG A 26 6.547 -18.217 -3.056 1.00 0.00 C ATOM 385 NE ARG A 26 6.747 -17.290 -1.942 1.00 0.00 N ATOM 386 CZ ARG A 26 6.873 -15.970 -2.081 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.731 -15.397 -3.270 1.00 0.00 N ATOM 388 NH2 ARG A 26 7.123 -15.215 -1.018 1.00 0.00 N ATOM 0 H ARG A 26 10.330 -18.702 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 26 10.008 -17.972 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.882 -20.296 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.290 -19.805 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.341 -17.481 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.566 -18.782 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.766 -17.832 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.197 -19.175 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 26 6.793 -17.678 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.523 -15.968 -4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.830 -14.386 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.218 -15.645 -0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.220 -14.205 -1.121 1.00 0.00 H new ATOM 402 N ALA A 27 11.743 -20.684 -2.764 1.00 0.00 N ATOM 403 CA ALA A 27 12.552 -21.709 -2.115 1.00 0.00 C ATOM 404 C ALA A 27 13.867 -21.151 -1.571 1.00 0.00 C ATOM 405 O ALA A 27 14.746 -21.912 -1.166 1.00 0.00 O ATOM 406 CB ALA A 27 12.830 -22.847 -3.083 1.00 0.00 C ATOM 0 H ALA A 27 11.845 -20.644 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 27 11.980 -22.082 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.435 -23.607 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.887 -23.288 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.368 -22.464 -3.950 1.00 0.00 H new ATOM 412 N GLN A 28 14.020 -19.827 -1.588 1.00 0.00 N ATOM 413 CA GLN A 28 15.252 -19.187 -1.121 1.00 0.00 C ATOM 414 C GLN A 28 16.428 -19.516 -2.036 1.00 0.00 C ATOM 415 O GLN A 28 17.566 -19.656 -1.586 1.00 0.00 O ATOM 416 CB GLN A 28 15.573 -19.632 0.308 1.00 0.00 C ATOM 417 CG GLN A 28 14.388 -19.534 1.255 1.00 0.00 C ATOM 418 CD GLN A 28 14.452 -18.313 2.151 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.486 -17.133 1.541 1.00 0.00 O flip ATOM 420 NE2 GLN A 28 14.471 -18.428 3.376 1.00 0.00 N flip ATOM 0 H GLN A 28 13.308 -19.176 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 28 15.093 -18.109 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.928 -20.663 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.389 -19.022 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.466 -19.505 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.347 -20.431 1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.443 -19.354 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.514 -17.597 3.966 1.00 0.00 H new ATOM 429 N GLN A 29 16.144 -19.592 -3.333 1.00 0.00 N ATOM 430 CA GLN A 29 17.167 -19.852 -4.337 1.00 0.00 C ATOM 431 C GLN A 29 17.265 -18.652 -5.268 1.00 0.00 C ATOM 432 O GLN A 29 16.246 -18.115 -5.695 1.00 0.00 O ATOM 433 CB GLN A 29 16.838 -21.116 -5.133 1.00 0.00 C ATOM 434 CG GLN A 29 16.697 -22.359 -4.271 1.00 0.00 C ATOM 435 CD GLN A 29 17.970 -22.710 -3.527 1.00 0.00 C ATOM 436 OE1 GLN A 29 19.053 -22.225 -3.853 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.843 -23.559 -2.512 1.00 0.00 N ATOM 0 H GLN A 29 15.205 -19.476 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 29 18.124 -20.010 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.910 -20.958 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.621 -21.284 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.892 -22.206 -3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.407 -23.200 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.926 -23.938 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.663 -23.832 -1.970 1.00 0.00 H new ATOM 446 N PHE A 30 18.482 -18.212 -5.565 1.00 0.00 N ATOM 447 CA PHE A 30 18.673 -17.049 -6.426 1.00 0.00 C ATOM 448 C PHE A 30 18.800 -17.445 -7.894 1.00 0.00 C ATOM 449 O PHE A 30 19.653 -18.254 -8.264 1.00 0.00 O ATOM 450 CB PHE A 30 19.925 -16.283 -5.998 1.00 0.00 C ATOM 451 CG PHE A 30 19.737 -15.456 -4.757 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.858 -16.030 -3.501 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.450 -14.103 -4.847 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.696 -15.271 -2.359 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.285 -13.339 -3.707 1.00 0.00 C ATOM 456 CZ PHE A 30 19.409 -13.923 -2.462 1.00 0.00 C ATOM 0 H PHE A 30 19.345 -18.638 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 30 17.793 -16.415 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.734 -16.994 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.237 -15.631 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.082 -17.083 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.354 -13.641 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.793 -15.730 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.059 -12.286 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.282 -13.327 -1.570 1.00 0.00 H new ATOM 466 N VAL A 31 17.948 -16.853 -8.726 1.00 0.00 N ATOM 467 CA VAL A 31 17.957 -17.118 -10.156 1.00 0.00 C ATOM 468 C VAL A 31 17.971 -15.815 -10.943 1.00 0.00 C ATOM 469 O VAL A 31 17.487 -14.785 -10.471 1.00 0.00 O ATOM 470 CB VAL A 31 16.741 -17.958 -10.589 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.840 -19.364 -10.024 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.444 -17.290 -10.157 1.00 0.00 C ATOM 0 H VAL A 31 17.239 -16.182 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 31 18.863 -17.685 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 31 16.738 -18.026 -11.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.973 -19.945 -10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.749 -19.841 -10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.869 -19.317 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.598 -17.900 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.432 -17.187 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.372 -16.304 -10.616 1.00 0.00 H new ATOM 482 N SER A 32 18.559 -15.856 -12.130 1.00 0.00 N ATOM 483 CA SER A 32 18.663 -14.669 -12.969 1.00 0.00 C ATOM 484 C SER A 32 17.315 -14.277 -13.564 1.00 0.00 C ATOM 485 O SER A 32 16.551 -15.122 -14.031 1.00 0.00 O ATOM 486 CB SER A 32 19.680 -14.898 -14.086 1.00 0.00 C ATOM 487 OG SER A 32 20.247 -13.673 -14.516 1.00 0.00 O ATOM 0 H SER A 32 18.971 -16.697 -12.534 1.00 0.00 H new ATOM 0 HA SER A 32 18.999 -13.848 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.468 -15.564 -13.734 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.196 -15.394 -14.927 1.00 0.00 H new ATOM 0 HG SER A 32 20.896 -13.846 -15.230 1.00 0.00 H new ATOM 493 N THR A 33 17.038 -12.976 -13.533 1.00 0.00 N ATOM 494 CA THR A 33 15.793 -12.426 -14.053 1.00 0.00 C ATOM 495 C THR A 33 16.041 -11.052 -14.672 1.00 0.00 C ATOM 496 O THR A 33 17.072 -10.426 -14.417 1.00 0.00 O ATOM 497 CB THR A 33 14.740 -12.330 -12.948 1.00 0.00 C ATOM 498 OG1 THR A 33 13.605 -11.620 -13.406 1.00 0.00 O ATOM 499 CG2 THR A 33 15.236 -11.645 -11.693 1.00 0.00 C ATOM 0 H THR A 33 17.671 -12.275 -13.147 1.00 0.00 H new ATOM 0 HA THR A 33 15.417 -13.096 -14.826 1.00 0.00 H new ATOM 0 HB THR A 33 14.492 -13.361 -12.697 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.218 -12.085 -14.177 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.435 -11.614 -10.955 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.083 -12.198 -11.287 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.548 -10.628 -11.932 1.00 0.00 H new ATOM 507 N LYS A 34 15.105 -10.587 -15.495 1.00 0.00 N ATOM 508 CA LYS A 34 15.255 -9.294 -16.151 1.00 0.00 C ATOM 509 C LYS A 34 13.920 -8.572 -16.298 1.00 0.00 C ATOM 510 O LYS A 34 12.855 -9.188 -16.329 1.00 0.00 O ATOM 511 CB LYS A 34 15.899 -9.468 -17.532 1.00 0.00 C ATOM 512 CG LYS A 34 16.338 -8.157 -18.173 1.00 0.00 C ATOM 513 CD LYS A 34 16.739 -8.342 -19.629 1.00 0.00 C ATOM 514 CE LYS A 34 17.997 -9.184 -19.765 1.00 0.00 C ATOM 515 NZ LYS A 34 17.695 -10.577 -20.195 1.00 0.00 N ATOM 0 H LYS A 34 14.242 -11.082 -15.721 1.00 0.00 H new ATOM 0 HA LYS A 34 15.901 -8.685 -15.519 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.764 -10.125 -17.439 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.190 -9.966 -18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.526 -7.432 -18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.178 -7.744 -17.615 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.923 -8.817 -20.173 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.903 -7.367 -20.088 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.667 -8.719 -20.488 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.523 -9.206 -18.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.581 -11.115 -20.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.076 -11.031 -19.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.216 -10.559 -21.118 1.00 0.00 H new ATOM 529 N ILE A 35 14.007 -7.254 -16.409 1.00 0.00 N ATOM 530 CA ILE A 35 12.842 -6.398 -16.575 1.00 0.00 C ATOM 531 C ILE A 35 13.140 -5.377 -17.663 1.00 0.00 C ATOM 532 O ILE A 35 14.168 -4.700 -17.614 1.00 0.00 O ATOM 533 CB ILE A 35 12.491 -5.690 -15.248 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.217 -4.859 -15.389 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.648 -4.827 -14.773 1.00 0.00 C ATOM 536 CD1 ILE A 35 10.004 -5.544 -14.807 1.00 0.00 C ATOM 0 H ILE A 35 14.892 -6.747 -16.386 1.00 0.00 H new ATOM 0 HA ILE A 35 11.982 -7.003 -16.864 1.00 0.00 H new ATOM 0 HB ILE A 35 12.309 -6.458 -14.497 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.359 -3.898 -14.894 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.040 -4.651 -16.444 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.377 -4.339 -13.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.527 -5.452 -14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.871 -4.071 -15.526 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.129 -4.907 -14.936 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.841 -6.492 -15.319 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.165 -5.728 -13.745 1.00 0.00 H new ATOM 548 N ASN A 36 12.269 -5.284 -18.665 1.00 0.00 N ATOM 549 CA ASN A 36 12.484 -4.366 -19.777 1.00 0.00 C ATOM 550 C ASN A 36 11.913 -2.988 -19.460 1.00 0.00 C ATOM 551 O ASN A 36 10.701 -2.826 -19.326 1.00 0.00 O ATOM 552 CB ASN A 36 11.816 -4.931 -21.035 1.00 0.00 C ATOM 553 CG ASN A 36 12.390 -4.356 -22.315 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.490 -4.721 -22.733 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.644 -3.463 -22.952 1.00 0.00 N ATOM 0 H ASN A 36 11.411 -5.832 -18.728 1.00 0.00 H new ATOM 0 HA ASN A 36 13.556 -4.260 -19.944 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.931 -6.015 -21.046 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.747 -4.724 -20.997 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.976 -3.050 -23.824 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.739 -3.189 -22.570 1.00 0.00 H new ATOM 562 N LEU A 37 12.789 -1.994 -19.354 1.00 0.00 N ATOM 563 CA LEU A 37 12.361 -0.632 -19.061 1.00 0.00 C ATOM 564 C LEU A 37 11.982 0.111 -20.345 1.00 0.00 C ATOM 565 O LEU A 37 11.363 1.174 -20.286 1.00 0.00 O ATOM 566 CB LEU A 37 13.457 0.131 -18.304 1.00 0.00 C ATOM 567 CG LEU A 37 14.004 -0.580 -17.059 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.149 -1.509 -17.435 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.457 0.429 -16.010 1.00 0.00 C ATOM 0 H LEU A 37 13.797 -2.106 -19.466 1.00 0.00 H new ATOM 0 HA LEU A 37 11.477 -0.688 -18.426 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.284 0.321 -18.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.062 1.102 -18.005 1.00 0.00 H new ATOM 0 HG LEU A 37 13.200 -1.177 -16.629 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.524 -2.005 -16.540 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.793 -2.258 -18.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.951 -0.931 -17.893 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.840 -0.100 -15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.243 1.059 -16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.612 1.051 -15.715 1.00 0.00 H new ATOM 581 N ASP A 38 12.380 -0.421 -21.507 1.00 0.00 N ATOM 582 CA ASP A 38 12.081 0.247 -22.774 1.00 0.00 C ATOM 583 C ASP A 38 10.579 0.494 -22.940 1.00 0.00 C ATOM 584 O ASP A 38 10.165 1.588 -23.319 1.00 0.00 O ATOM 585 CB ASP A 38 12.573 -0.553 -23.995 1.00 0.00 C ATOM 586 CG ASP A 38 13.817 -1.391 -23.745 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.871 -2.093 -22.715 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.730 -1.358 -24.599 1.00 0.00 O ATOM 0 H ASP A 38 12.899 -1.294 -21.594 1.00 0.00 H new ATOM 0 HA ASP A 38 12.614 1.197 -22.733 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.770 -1.210 -24.330 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.777 0.142 -24.810 1.00 0.00 H new ATOM 593 N ASP A 39 9.758 -0.515 -22.657 1.00 0.00 N ATOM 594 CA ASP A 39 8.306 -0.364 -22.788 1.00 0.00 C ATOM 595 C ASP A 39 7.658 0.096 -21.488 1.00 0.00 C ATOM 596 O ASP A 39 6.484 0.460 -21.474 1.00 0.00 O ATOM 597 CB ASP A 39 7.644 -1.657 -23.266 1.00 0.00 C ATOM 598 CG ASP A 39 8.179 -2.894 -22.568 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.931 -3.045 -21.353 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.833 -3.718 -23.241 1.00 0.00 O ATOM 0 H ASP A 39 10.065 -1.435 -22.340 1.00 0.00 H new ATOM 0 HA ASP A 39 8.148 0.408 -23.541 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.569 -1.590 -23.100 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.795 -1.760 -24.341 1.00 0.00 H new ATOM 605 N HIS A 40 8.415 0.094 -20.395 1.00 0.00 N ATOM 606 CA HIS A 40 7.880 0.530 -19.107 1.00 0.00 C ATOM 607 C HIS A 40 8.251 1.989 -18.870 1.00 0.00 C ATOM 608 O HIS A 40 7.379 2.850 -18.744 1.00 0.00 O ATOM 609 CB HIS A 40 8.420 -0.350 -17.974 1.00 0.00 C ATOM 610 CG HIS A 40 7.630 -1.610 -17.779 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.274 -1.611 -17.530 1.00 0.00 N ATOM 612 CD2 HIS A 40 8.005 -2.914 -17.812 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.849 -2.856 -17.417 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.878 -3.665 -17.585 1.00 0.00 N ATOM 0 H HIS A 40 9.391 -0.201 -20.373 1.00 0.00 H new ATOM 0 HA HIS A 40 6.794 0.434 -19.122 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.458 -0.608 -18.186 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.417 0.221 -17.046 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.003 -3.290 -17.984 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.832 -3.161 -17.220 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.842 -4.684 -17.552 1.00 0.00 H new ATOM 623 N ILE A 41 9.553 2.259 -18.834 1.00 0.00 N ATOM 624 CA ILE A 41 10.052 3.613 -18.642 1.00 0.00 C ATOM 625 C ILE A 41 10.024 4.385 -19.955 1.00 0.00 C ATOM 626 O ILE A 41 10.209 3.812 -21.026 1.00 0.00 O ATOM 627 CB ILE A 41 11.489 3.619 -18.083 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.580 2.739 -16.839 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.935 5.039 -17.758 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.742 3.243 -15.684 1.00 0.00 C ATOM 0 H ILE A 41 10.282 1.553 -18.936 1.00 0.00 H new ATOM 0 HA ILE A 41 9.396 4.095 -17.917 1.00 0.00 H new ATOM 0 HB ILE A 41 12.154 3.216 -18.847 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.263 1.728 -17.094 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.621 2.676 -16.523 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.952 5.020 -17.365 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.907 5.645 -18.663 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.266 5.469 -17.013 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.853 2.571 -14.833 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.074 4.242 -15.403 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.694 3.279 -15.983 1.00 0.00 H new ATOM 642 N ALA A 42 9.779 5.683 -19.858 1.00 0.00 N ATOM 643 CA ALA A 42 9.714 6.540 -21.041 1.00 0.00 C ATOM 644 C ALA A 42 10.388 7.886 -20.791 1.00 0.00 C ATOM 645 O ALA A 42 10.759 8.208 -19.663 1.00 0.00 O ATOM 646 CB ALA A 42 8.264 6.745 -21.453 1.00 0.00 C ATOM 0 H ALA A 42 9.622 6.169 -18.975 1.00 0.00 H new ATOM 0 HA ALA A 42 10.252 6.044 -21.849 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.223 7.384 -22.335 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.811 5.780 -21.683 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.717 7.217 -20.637 1.00 0.00 H new ATOM 652 N ASN A 43 10.561 8.654 -21.864 1.00 0.00 N ATOM 653 CA ASN A 43 11.206 9.961 -21.780 1.00 0.00 C ATOM 654 C ASN A 43 10.206 11.079 -22.057 1.00 0.00 C ATOM 655 O ASN A 43 9.768 11.271 -23.192 1.00 0.00 O ATOM 656 CB ASN A 43 12.367 10.044 -22.772 1.00 0.00 C ATOM 657 CG ASN A 43 13.050 11.397 -22.756 1.00 0.00 C ATOM 658 OD1 ASN A 43 12.889 12.149 -23.837 1.00 0.00 O flip ATOM 659 ND2 ASN A 43 13.707 11.762 -21.782 1.00 0.00 N flip ATOM 0 H ASN A 43 10.263 8.393 -22.804 1.00 0.00 H new ATOM 0 HA ASN A 43 11.592 10.084 -20.768 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.097 9.269 -22.537 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.997 9.839 -23.777 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.803 11.149 -20.973 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.156 12.678 -21.784 1.00 0.00 H new ATOM 666 N ILE A 44 9.858 11.812 -21.006 1.00 0.00 N ATOM 667 CA ILE A 44 8.918 12.922 -21.111 1.00 0.00 C ATOM 668 C ILE A 44 9.643 14.267 -20.955 1.00 0.00 C ATOM 669 O ILE A 44 9.758 14.791 -19.848 1.00 0.00 O ATOM 670 CB ILE A 44 7.810 12.799 -20.035 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.071 11.466 -20.180 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.827 13.960 -20.121 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.476 11.253 -21.554 1.00 0.00 C ATOM 0 H ILE A 44 10.216 11.656 -20.064 1.00 0.00 H new ATOM 0 HA ILE A 44 8.461 12.882 -22.100 1.00 0.00 H new ATOM 0 HB ILE A 44 8.288 12.833 -19.056 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.761 10.651 -19.961 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.275 11.418 -19.437 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.061 13.846 -19.354 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.359 14.899 -19.967 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.357 13.967 -21.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.968 10.289 -21.585 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.761 12.047 -21.768 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.270 11.269 -22.301 1.00 0.00 H new ATOM 685 N ASP A 45 10.128 14.821 -22.069 1.00 0.00 N ATOM 686 CA ASP A 45 10.840 16.107 -22.055 1.00 0.00 C ATOM 687 C ASP A 45 12.171 16.005 -21.306 1.00 0.00 C ATOM 688 O ASP A 45 12.560 16.922 -20.584 1.00 0.00 O ATOM 689 CB ASP A 45 9.963 17.197 -21.422 1.00 0.00 C ATOM 690 CG ASP A 45 10.562 18.588 -21.546 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.543 18.750 -22.301 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.045 19.517 -20.888 1.00 0.00 O ATOM 0 H ASP A 45 10.042 14.401 -22.994 1.00 0.00 H new ATOM 0 HA ASP A 45 11.056 16.376 -23.089 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.982 17.187 -21.896 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.810 16.966 -20.368 1.00 0.00 H new ATOM 697 N GLY A 46 12.871 14.888 -21.494 1.00 0.00 N ATOM 698 CA GLY A 46 14.157 14.690 -20.841 1.00 0.00 C ATOM 699 C GLY A 46 14.038 14.160 -19.421 1.00 0.00 C ATOM 700 O GLY A 46 15.048 13.946 -18.749 1.00 0.00 O ATOM 0 H GLY A 46 12.571 14.115 -22.088 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.753 13.994 -21.432 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.697 15.637 -20.823 1.00 0.00 H new ATOM 704 N THR A 47 12.811 13.939 -18.960 1.00 0.00 N ATOM 705 CA THR A 47 12.585 13.428 -17.612 1.00 0.00 C ATOM 706 C THR A 47 12.093 11.985 -17.651 1.00 0.00 C ATOM 707 O THR A 47 11.249 11.626 -18.473 1.00 0.00 O ATOM 708 CB THR A 47 11.558 14.300 -16.882 1.00 0.00 C ATOM 709 OG1 THR A 47 11.836 15.676 -17.078 1.00 0.00 O ATOM 710 CG2 THR A 47 11.501 14.051 -15.388 1.00 0.00 C ATOM 0 H THR A 47 11.960 14.105 -19.498 1.00 0.00 H new ATOM 0 HA THR A 47 13.534 13.458 -17.076 1.00 0.00 H new ATOM 0 HB THR A 47 10.596 14.024 -17.313 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.168 16.215 -16.605 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.752 14.704 -14.939 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.234 13.011 -15.202 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.476 14.259 -14.947 1.00 0.00 H new ATOM 718 N LEU A 48 12.646 11.157 -16.776 1.00 0.00 N ATOM 719 CA LEU A 48 12.280 9.749 -16.730 1.00 0.00 C ATOM 720 C LEU A 48 10.940 9.545 -16.033 1.00 0.00 C ATOM 721 O LEU A 48 10.780 9.837 -14.848 1.00 0.00 O ATOM 722 CB LEU A 48 13.365 8.939 -16.019 1.00 0.00 C ATOM 723 CG LEU A 48 14.569 8.565 -16.881 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.791 8.320 -16.009 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.253 7.333 -17.720 1.00 0.00 C ATOM 0 H LEU A 48 13.348 11.435 -16.090 1.00 0.00 H new ATOM 0 HA LEU A 48 12.186 9.398 -17.758 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.717 9.510 -15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.917 8.024 -15.632 1.00 0.00 H new ATOM 0 HG LEU A 48 14.789 9.395 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.640 8.055 -16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.025 9.225 -15.447 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.585 7.505 -15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.119 7.076 -18.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.012 6.497 -17.063 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.402 7.543 -18.368 1.00 0.00 H new ATOM 737 N LYS A 49 9.984 9.030 -16.800 1.00 0.00 N ATOM 738 CA LYS A 49 8.639 8.759 -16.312 1.00 0.00 C ATOM 739 C LYS A 49 8.158 7.420 -16.856 1.00 0.00 C ATOM 740 O LYS A 49 8.729 6.895 -17.809 1.00 0.00 O ATOM 741 CB LYS A 49 7.666 9.867 -16.719 1.00 0.00 C ATOM 742 CG LYS A 49 8.079 11.247 -16.239 1.00 0.00 C ATOM 743 CD LYS A 49 7.387 11.613 -14.938 1.00 0.00 C ATOM 744 CE LYS A 49 7.253 13.118 -14.794 1.00 0.00 C ATOM 745 NZ LYS A 49 7.075 13.526 -13.375 1.00 0.00 N ATOM 0 H LYS A 49 10.123 8.788 -17.781 1.00 0.00 H new ATOM 0 HA LYS A 49 8.671 8.723 -15.223 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.578 9.881 -17.805 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.678 9.635 -16.322 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.160 11.276 -16.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.837 11.987 -17.002 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.400 11.152 -14.906 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.953 11.213 -14.097 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.140 13.602 -15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.402 13.464 -15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.987 14.561 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.215 13.085 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.898 13.218 -12.819 1.00 0.00 H new ATOM 759 N TRP A 50 7.112 6.866 -16.255 1.00 0.00 N ATOM 760 CA TRP A 50 6.583 5.582 -16.707 1.00 0.00 C ATOM 761 C TRP A 50 5.603 5.771 -17.866 1.00 0.00 C ATOM 762 O TRP A 50 4.637 6.528 -17.757 1.00 0.00 O ATOM 763 CB TRP A 50 5.904 4.850 -15.548 1.00 0.00 C ATOM 764 CG TRP A 50 6.893 4.202 -14.634 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.591 3.057 -14.875 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.311 4.666 -13.344 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.430 2.787 -13.823 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.274 3.759 -12.870 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.973 5.764 -12.548 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.898 3.913 -11.637 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.593 5.915 -11.322 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.549 4.995 -10.879 1.00 0.00 C ATOM 0 H TRP A 50 6.618 7.278 -15.464 1.00 0.00 H new ATOM 0 HA TRP A 50 7.417 4.977 -17.064 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.296 5.555 -14.981 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.228 4.093 -15.945 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.498 2.451 -15.764 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.066 1.992 -13.761 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.240 6.482 -12.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.633 3.202 -11.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.335 6.757 -10.696 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.021 5.143 -9.919 1.00 0.00 H new ATOM 783 N GLN A 51 5.876 5.096 -18.985 1.00 0.00 N ATOM 784 CA GLN A 51 5.037 5.209 -20.180 1.00 0.00 C ATOM 785 C GLN A 51 5.477 4.201 -21.255 1.00 0.00 C ATOM 786 O GLN A 51 6.665 3.902 -21.374 1.00 0.00 O ATOM 787 CB GLN A 51 5.145 6.636 -20.736 1.00 0.00 C ATOM 788 CG GLN A 51 3.813 7.344 -20.913 1.00 0.00 C ATOM 789 CD GLN A 51 3.560 8.391 -19.844 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.476 9.346 -19.726 1.00 0.00 O flip ATOM 791 NE2 GLN A 51 2.558 8.339 -19.131 1.00 0.00 N flip ATOM 0 H GLN A 51 6.671 4.466 -19.088 1.00 0.00 H new ATOM 0 HA GLN A 51 4.004 4.990 -19.908 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.770 7.227 -20.067 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.654 6.600 -21.699 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.786 7.818 -21.894 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.009 6.608 -20.892 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.881 7.587 -19.257 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.405 9.048 -18.414 1.00 0.00 H new ATOM 800 N PRO A 52 4.529 3.665 -22.066 1.00 0.00 N ATOM 801 CA PRO A 52 4.852 2.700 -23.127 1.00 0.00 C ATOM 802 C PRO A 52 5.599 3.360 -24.274 1.00 0.00 C ATOM 803 O PRO A 52 5.109 3.451 -25.399 1.00 0.00 O ATOM 804 CB PRO A 52 3.491 2.184 -23.588 1.00 0.00 C ATOM 805 CG PRO A 52 2.537 3.277 -23.251 1.00 0.00 C ATOM 806 CD PRO A 52 3.085 3.961 -22.020 1.00 0.00 C ATOM 0 HA PRO A 52 5.507 1.904 -22.773 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.489 1.973 -24.657 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.226 1.257 -23.080 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.446 3.981 -24.078 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.541 2.878 -23.062 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.896 5.034 -22.041 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.626 3.574 -21.110 1.00 0.00 H new ATOM 814 N SER A 53 6.798 3.810 -23.958 1.00 0.00 N ATOM 815 CA SER A 53 7.680 4.464 -24.908 1.00 0.00 C ATOM 816 C SER A 53 9.093 4.382 -24.368 1.00 0.00 C ATOM 817 O SER A 53 9.318 4.638 -23.188 1.00 0.00 O ATOM 818 CB SER A 53 7.272 5.922 -25.113 1.00 0.00 C ATOM 819 OG SER A 53 6.882 6.516 -23.886 1.00 0.00 O ATOM 0 H SER A 53 7.193 3.731 -23.021 1.00 0.00 H new ATOM 0 HA SER A 53 7.616 3.967 -25.876 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.104 6.480 -25.543 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.449 5.977 -25.826 1.00 0.00 H new ATOM 0 HG SER A 53 6.904 7.492 -23.973 1.00 0.00 H new ATOM 825 N ASN A 54 10.035 3.978 -25.203 1.00 0.00 N ATOM 826 CA ASN A 54 11.415 3.821 -24.750 1.00 0.00 C ATOM 827 C ASN A 54 12.168 5.142 -24.699 1.00 0.00 C ATOM 828 O ASN A 54 12.522 5.718 -25.729 1.00 0.00 O ATOM 829 CB ASN A 54 12.185 2.846 -25.637 1.00 0.00 C ATOM 830 CG ASN A 54 11.326 1.748 -26.235 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.207 1.493 -25.787 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.857 1.088 -27.257 1.00 0.00 N ATOM 0 H ASN A 54 9.878 3.754 -26.186 1.00 0.00 H new ATOM 0 HA ASN A 54 11.350 3.423 -23.737 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.660 3.403 -26.445 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.984 2.391 -25.051 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.334 0.335 -27.705 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.788 1.334 -27.595 1.00 0.00 H new ATOM 839 N PHE A 55 12.445 5.590 -23.481 1.00 0.00 N ATOM 840 CA PHE A 55 13.198 6.816 -23.250 1.00 0.00 C ATOM 841 C PHE A 55 14.474 6.844 -24.098 1.00 0.00 C ATOM 842 O PHE A 55 14.952 7.906 -24.496 1.00 0.00 O ATOM 843 CB PHE A 55 13.551 6.925 -21.764 1.00 0.00 C ATOM 844 CG PHE A 55 14.369 5.775 -21.243 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.759 4.617 -20.780 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.750 5.858 -21.204 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.515 3.567 -20.290 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.510 4.811 -20.717 1.00 0.00 C ATOM 849 CZ PHE A 55 15.892 3.665 -20.259 1.00 0.00 C ATOM 0 H PHE A 55 12.154 5.114 -22.627 1.00 0.00 H new ATOM 0 HA PHE A 55 12.581 7.665 -23.542 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.100 7.852 -21.599 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.629 6.993 -21.186 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.682 4.535 -20.803 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.240 6.753 -21.559 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.029 2.672 -19.932 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.587 4.890 -20.695 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.484 2.847 -19.877 1.00 0.00 H new ATOM 859 N SER A 56 15.018 5.654 -24.366 1.00 0.00 N ATOM 860 CA SER A 56 16.249 5.499 -25.146 1.00 0.00 C ATOM 861 C SER A 56 16.222 6.275 -26.466 1.00 0.00 C ATOM 862 O SER A 56 17.273 6.520 -27.064 1.00 0.00 O ATOM 863 CB SER A 56 16.506 4.017 -25.430 1.00 0.00 C ATOM 864 OG SER A 56 15.374 3.406 -26.023 1.00 0.00 O ATOM 0 H SER A 56 14.618 4.771 -24.049 1.00 0.00 H new ATOM 0 HA SER A 56 17.056 5.915 -24.543 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.366 3.914 -26.091 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.755 3.504 -24.501 1.00 0.00 H new ATOM 0 HG SER A 56 15.565 2.460 -26.196 1.00 0.00 H new ATOM 870 N GLN A 57 15.036 6.652 -26.932 1.00 0.00 N ATOM 871 CA GLN A 57 14.921 7.381 -28.190 1.00 0.00 C ATOM 872 C GLN A 57 15.625 8.738 -28.099 1.00 0.00 C ATOM 873 O GLN A 57 16.089 9.271 -29.110 1.00 0.00 O ATOM 874 CB GLN A 57 13.449 7.567 -28.567 1.00 0.00 C ATOM 875 CG GLN A 57 12.701 6.257 -28.778 1.00 0.00 C ATOM 876 CD GLN A 57 11.202 6.413 -28.602 1.00 0.00 C ATOM 877 OE1 GLN A 57 10.620 7.417 -29.011 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.569 5.419 -27.989 1.00 0.00 N ATOM 0 H GLN A 57 14.149 6.467 -26.463 1.00 0.00 H new ATOM 0 HA GLN A 57 15.409 6.795 -28.969 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.951 8.137 -27.782 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.389 8.161 -29.479 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.909 5.880 -29.779 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.071 5.512 -28.073 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.091 4.604 -27.666 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.561 5.470 -27.842 1.00 0.00 H new ATOM 887 N THR A 58 15.729 9.285 -26.885 1.00 0.00 N ATOM 888 CA THR A 58 16.405 10.570 -26.690 1.00 0.00 C ATOM 889 C THR A 58 17.444 10.488 -25.564 1.00 0.00 C ATOM 890 O THR A 58 18.080 11.487 -25.232 1.00 0.00 O ATOM 891 CB THR A 58 15.405 11.682 -26.338 1.00 0.00 C ATOM 892 OG1 THR A 58 15.086 11.649 -24.958 1.00 0.00 O ATOM 893 CG2 THR A 58 14.097 11.595 -27.091 1.00 0.00 C ATOM 0 H THR A 58 15.359 8.865 -26.032 1.00 0.00 H new ATOM 0 HA THR A 58 16.899 10.805 -27.633 1.00 0.00 H new ATOM 0 HB THR A 58 15.910 12.606 -26.621 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.208 12.060 -24.815 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.446 12.415 -26.786 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.288 11.663 -28.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.612 10.645 -26.869 1.00 0.00 H new ATOM 901 N CYS A 59 17.598 9.312 -24.952 1.00 0.00 N ATOM 902 CA CYS A 59 18.544 9.155 -23.848 1.00 0.00 C ATOM 903 C CYS A 59 19.727 8.266 -24.222 1.00 0.00 C ATOM 904 O CYS A 59 19.605 7.344 -25.030 1.00 0.00 O ATOM 905 CB CYS A 59 17.842 8.577 -22.617 1.00 0.00 C ATOM 906 SG CYS A 59 16.200 9.298 -22.285 1.00 0.00 S ATOM 0 H CYS A 59 17.086 8.465 -25.199 1.00 0.00 H new ATOM 0 HA CYS A 59 18.929 10.149 -23.620 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.734 7.500 -22.746 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.477 8.731 -21.745 1.00 0.00 H new ATOM 911 N TYR A 60 20.879 8.570 -23.626 1.00 0.00 N ATOM 912 CA TYR A 60 22.112 7.824 -23.873 1.00 0.00 C ATOM 913 C TYR A 60 22.913 7.669 -22.580 1.00 0.00 C ATOM 914 O TYR A 60 22.726 8.434 -21.633 1.00 0.00 O ATOM 915 CB TYR A 60 22.959 8.539 -24.923 1.00 0.00 C ATOM 916 CG TYR A 60 23.332 9.952 -24.541 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.437 10.999 -24.715 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.583 10.239 -24.015 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.780 12.293 -24.374 1.00 0.00 C ATOM 920 CE2 TYR A 60 24.935 11.529 -23.675 1.00 0.00 C ATOM 921 CZ TYR A 60 24.031 12.553 -23.856 1.00 0.00 C ATOM 922 OH TYR A 60 24.380 13.843 -23.524 1.00 0.00 O ATOM 0 H TYR A 60 20.984 9.337 -22.961 1.00 0.00 H new ATOM 0 HA TYR A 60 21.846 6.833 -24.242 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.870 7.966 -25.094 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.413 8.559 -25.866 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.457 10.799 -25.123 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.294 9.439 -23.869 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.072 13.097 -24.512 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.914 11.735 -23.269 1.00 0.00 H new ATOM 0 HH TYR A 60 24.046 14.459 -24.209 1.00 0.00 H new ATOM 932 N ASN A 61 23.790 6.667 -22.536 1.00 0.00 N ATOM 933 CA ASN A 61 24.606 6.415 -21.350 1.00 0.00 C ATOM 934 C ASN A 61 23.735 6.024 -20.162 1.00 0.00 C ATOM 935 O ASN A 61 23.952 6.485 -19.042 1.00 0.00 O ATOM 936 CB ASN A 61 25.436 7.653 -21.001 1.00 0.00 C ATOM 937 CG ASN A 61 26.388 8.041 -22.112 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.528 7.324 -23.104 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.043 9.183 -21.955 1.00 0.00 N ATOM 0 H ASN A 61 23.953 6.018 -23.306 1.00 0.00 H new ATOM 0 HA ASN A 61 25.278 5.586 -21.574 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.768 8.488 -20.791 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.003 7.462 -20.090 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.695 9.500 -22.673 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.895 9.745 -21.116 1.00 0.00 H new ATOM 946 N SER A 62 22.746 5.174 -20.410 1.00 0.00 N ATOM 947 CA SER A 62 21.855 4.728 -19.348 1.00 0.00 C ATOM 948 C SER A 62 22.604 3.837 -18.361 1.00 0.00 C ATOM 949 O SER A 62 23.408 2.992 -18.757 1.00 0.00 O ATOM 950 CB SER A 62 20.649 3.986 -19.932 1.00 0.00 C ATOM 951 OG SER A 62 19.899 4.820 -20.802 1.00 0.00 O ATOM 0 H SER A 62 22.542 4.783 -21.330 1.00 0.00 H new ATOM 0 HA SER A 62 21.492 5.606 -18.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.990 3.105 -20.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.010 3.634 -19.122 1.00 0.00 H new ATOM 0 HG SER A 62 19.436 4.268 -21.466 1.00 0.00 H new ATOM 957 N ALA A 63 22.345 4.043 -17.071 1.00 0.00 N ATOM 958 CA ALA A 63 23.003 3.270 -16.020 1.00 0.00 C ATOM 959 C ALA A 63 22.064 2.986 -14.850 1.00 0.00 C ATOM 960 O ALA A 63 21.153 3.764 -14.572 1.00 0.00 O ATOM 961 CB ALA A 63 24.238 4.008 -15.536 1.00 0.00 C ATOM 0 H ALA A 63 21.683 4.740 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 63 23.295 2.309 -16.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.725 3.428 -14.752 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.929 4.146 -16.368 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.948 4.981 -15.140 1.00 0.00 H new ATOM 967 N ILE A 64 22.292 1.869 -14.162 1.00 0.00 N ATOM 968 CA ILE A 64 21.459 1.495 -13.026 1.00 0.00 C ATOM 969 C ILE A 64 22.282 1.162 -11.790 1.00 0.00 C ATOM 970 O ILE A 64 23.329 0.519 -11.869 1.00 0.00 O ATOM 971 CB ILE A 64 20.543 0.304 -13.376 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.551 0.751 -14.447 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.809 -0.217 -12.140 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.471 -0.257 -14.748 1.00 0.00 C ATOM 0 H ILE A 64 23.043 1.212 -14.371 1.00 0.00 H new ATOM 0 HA ILE A 64 20.844 2.365 -12.796 1.00 0.00 H new ATOM 0 HB ILE A 64 21.151 -0.517 -13.755 1.00 0.00 H new ATOM 0 HG12 ILE A 64 19.084 1.683 -14.128 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.097 0.967 -15.365 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.172 -1.056 -12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.536 -0.546 -11.397 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.195 0.579 -11.719 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.809 0.138 -15.519 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.926 -1.183 -15.100 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.896 -0.456 -13.843 1.00 0.00 H new ATOM 986 N GLN A 65 21.777 1.602 -10.649 1.00 0.00 N ATOM 987 CA GLN A 65 22.419 1.364 -9.367 1.00 0.00 C ATOM 988 C GLN A 65 21.361 0.994 -8.345 1.00 0.00 C ATOM 989 O GLN A 65 20.552 1.830 -7.941 1.00 0.00 O ATOM 990 CB GLN A 65 23.182 2.606 -8.916 1.00 0.00 C ATOM 991 CG GLN A 65 24.245 3.050 -9.906 1.00 0.00 C ATOM 992 CD GLN A 65 24.576 4.525 -9.790 1.00 0.00 C ATOM 993 OE1 GLN A 65 24.102 5.342 -10.579 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.391 4.873 -8.803 1.00 0.00 N ATOM 0 H GLN A 65 20.909 2.135 -10.586 1.00 0.00 H new ATOM 0 HA GLN A 65 23.132 0.545 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.476 3.422 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.653 2.405 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.151 2.465 -9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.903 2.838 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.761 4.162 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.648 5.852 -8.675 1.00 0.00 H new ATOM 1003 N GLY A 66 21.353 -0.269 -7.949 1.00 0.00 N ATOM 1004 CA GLY A 66 20.365 -0.730 -6.999 1.00 0.00 C ATOM 1005 C GLY A 66 18.982 -0.759 -7.619 1.00 0.00 C ATOM 1006 O GLY A 66 18.769 -1.430 -8.629 1.00 0.00 O ATOM 0 H GLY A 66 22.011 -0.981 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.631 -1.727 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.362 -0.076 -6.127 1.00 0.00 H new ATOM 1010 N SER A 67 18.036 -0.044 -7.017 1.00 0.00 N ATOM 1011 CA SER A 67 16.667 -0.011 -7.525 1.00 0.00 C ATOM 1012 C SER A 67 16.374 1.262 -8.323 1.00 0.00 C ATOM 1013 O SER A 67 15.298 1.392 -8.906 1.00 0.00 O ATOM 1014 CB SER A 67 15.675 -0.121 -6.365 1.00 0.00 C ATOM 1015 OG SER A 67 15.527 1.123 -5.704 1.00 0.00 O ATOM 0 H SER A 67 18.191 0.518 -6.180 1.00 0.00 H new ATOM 0 HA SER A 67 16.554 -0.861 -8.199 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.707 -0.455 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.020 -0.874 -5.657 1.00 0.00 H new ATOM 0 HG SER A 67 15.016 0.995 -4.877 1.00 0.00 H new ATOM 1021 N VAL A 68 17.323 2.195 -8.357 1.00 0.00 N ATOM 1022 CA VAL A 68 17.129 3.448 -9.096 1.00 0.00 C ATOM 1023 C VAL A 68 17.842 3.427 -10.449 1.00 0.00 C ATOM 1024 O VAL A 68 18.955 2.912 -10.572 1.00 0.00 O ATOM 1025 CB VAL A 68 17.625 4.674 -8.298 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.032 5.955 -8.871 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.284 4.542 -6.820 1.00 0.00 C ATOM 0 H VAL A 68 18.225 2.113 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 68 16.054 3.534 -9.255 1.00 0.00 H new ATOM 0 HB VAL A 68 18.710 4.720 -8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.391 6.810 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.336 6.063 -9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.944 5.910 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.645 5.419 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.203 4.464 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.759 3.648 -6.415 1.00 0.00 H new ATOM 1037 N LEU A 69 17.190 3.989 -11.464 1.00 0.00 N ATOM 1038 CA LEU A 69 17.751 4.044 -12.809 1.00 0.00 C ATOM 1039 C LEU A 69 18.261 5.455 -13.125 1.00 0.00 C ATOM 1040 O LEU A 69 17.537 6.442 -12.964 1.00 0.00 O ATOM 1041 CB LEU A 69 16.686 3.604 -13.824 1.00 0.00 C ATOM 1042 CG LEU A 69 16.925 4.003 -15.286 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.295 3.546 -15.761 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.831 3.420 -16.170 1.00 0.00 C ATOM 0 H LEU A 69 16.267 4.415 -11.378 1.00 0.00 H new ATOM 0 HA LEU A 69 18.601 3.365 -12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.598 2.519 -13.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.726 4.015 -13.511 1.00 0.00 H new ATOM 0 HG LEU A 69 16.894 5.090 -15.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.437 3.842 -16.800 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.066 4.006 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.365 2.461 -15.680 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.008 3.708 -17.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.839 2.333 -16.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.862 3.801 -15.848 1.00 0.00 H new ATOM 1056 N THR A 70 19.519 5.543 -13.564 1.00 0.00 N ATOM 1057 CA THR A 70 20.145 6.820 -13.900 1.00 0.00 C ATOM 1058 C THR A 70 20.489 6.854 -15.389 1.00 0.00 C ATOM 1059 O THR A 70 21.185 5.974 -15.887 1.00 0.00 O ATOM 1060 CB THR A 70 21.417 7.008 -13.068 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.191 6.642 -11.717 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.945 8.427 -13.075 1.00 0.00 C ATOM 0 H THR A 70 20.128 4.735 -13.695 1.00 0.00 H new ATOM 0 HA THR A 70 19.449 7.629 -13.677 1.00 0.00 H new ATOM 0 HB THR A 70 22.160 6.363 -13.537 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.015 6.767 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.847 8.483 -12.465 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.180 8.723 -14.097 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.189 9.098 -12.668 1.00 0.00 H new ATOM 1070 N SER A 71 19.986 7.857 -16.102 1.00 0.00 N ATOM 1071 CA SER A 71 20.237 7.967 -17.540 1.00 0.00 C ATOM 1072 C SER A 71 20.206 9.427 -18.000 1.00 0.00 C ATOM 1073 O SER A 71 19.530 10.258 -17.394 1.00 0.00 O ATOM 1074 CB SER A 71 19.202 7.144 -18.312 1.00 0.00 C ATOM 1075 OG SER A 71 19.122 7.554 -19.666 1.00 0.00 O ATOM 0 H SER A 71 19.406 8.601 -15.714 1.00 0.00 H new ATOM 0 HA SER A 71 21.234 7.575 -17.744 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.466 6.088 -18.265 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.225 7.249 -17.840 1.00 0.00 H new ATOM 0 HG SER A 71 19.360 6.804 -20.250 1.00 0.00 H new ATOM 1081 N THR A 72 20.925 9.729 -19.084 1.00 0.00 N ATOM 1082 CA THR A 72 20.955 11.083 -19.632 1.00 0.00 C ATOM 1083 C THR A 72 19.924 11.207 -20.759 1.00 0.00 C ATOM 1084 O THR A 72 19.926 10.406 -21.693 1.00 0.00 O ATOM 1085 CB THR A 72 22.358 11.396 -20.166 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.354 10.929 -19.272 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.606 12.872 -20.390 1.00 0.00 C ATOM 0 H THR A 72 21.492 9.054 -19.597 1.00 0.00 H new ATOM 0 HA THR A 72 20.709 11.796 -18.845 1.00 0.00 H new ATOM 0 HB THR A 72 22.414 10.885 -21.127 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.241 11.137 -19.633 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.618 13.018 -20.768 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.889 13.255 -21.116 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.490 13.408 -19.448 1.00 0.00 H new ATOM 1095 N CYS A 73 19.033 12.196 -20.668 1.00 0.00 N ATOM 1096 CA CYS A 73 17.998 12.369 -21.686 1.00 0.00 C ATOM 1097 C CYS A 73 17.987 13.774 -22.280 1.00 0.00 C ATOM 1098 O CYS A 73 18.206 14.764 -21.585 1.00 0.00 O ATOM 1099 CB CYS A 73 16.622 12.049 -21.098 1.00 0.00 C ATOM 1100 SG CYS A 73 16.444 10.322 -20.550 1.00 0.00 S ATOM 0 H CYS A 73 19.007 12.880 -19.911 1.00 0.00 H new ATOM 0 HA CYS A 73 18.230 11.675 -22.494 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.435 12.710 -20.252 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.858 12.264 -21.845 1.00 0.00 H new ATOM 1105 N GLU A 74 17.671 13.841 -23.573 1.00 0.00 N ATOM 1106 CA GLU A 74 17.581 15.113 -24.286 1.00 0.00 C ATOM 1107 C GLU A 74 16.288 15.845 -23.920 1.00 0.00 C ATOM 1108 O GLU A 74 15.223 15.229 -23.852 1.00 0.00 O ATOM 1109 CB GLU A 74 17.652 14.881 -25.800 1.00 0.00 C ATOM 1110 CG GLU A 74 18.104 16.106 -26.583 1.00 0.00 C ATOM 1111 CD GLU A 74 17.692 16.061 -28.043 1.00 0.00 C ATOM 1112 OE1 GLU A 74 16.580 16.532 -28.362 1.00 0.00 O ATOM 1113 OE2 GLU A 74 18.486 15.561 -28.869 1.00 0.00 O ATOM 0 H GLU A 74 17.472 13.024 -24.150 1.00 0.00 H new ATOM 0 HA GLU A 74 18.425 15.735 -23.988 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.338 14.058 -26.001 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.670 14.573 -26.159 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.687 17.000 -26.121 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.189 16.191 -26.520 1.00 0.00 H new ATOM 1120 N ARG A 75 16.377 17.154 -23.692 1.00 0.00 N ATOM 1121 CA ARG A 75 15.200 17.949 -23.340 1.00 0.00 C ATOM 1122 C ARG A 75 14.551 18.536 -24.592 1.00 0.00 C ATOM 1123 O ARG A 75 15.237 18.866 -25.557 1.00 0.00 O ATOM 1124 CB ARG A 75 15.583 19.080 -22.381 1.00 0.00 C ATOM 1125 CG ARG A 75 16.594 18.672 -21.319 1.00 0.00 C ATOM 1126 CD ARG A 75 17.038 19.861 -20.479 1.00 0.00 C ATOM 1127 NE ARG A 75 17.942 20.735 -21.218 1.00 0.00 N ATOM 1128 CZ ARG A 75 18.587 21.768 -20.684 1.00 0.00 C ATOM 1129 NH1 ARG A 75 18.432 22.069 -19.400 1.00 0.00 N ATOM 1130 NH2 ARG A 75 19.394 22.500 -21.441 1.00 0.00 N ATOM 0 H ARG A 75 17.246 17.685 -23.744 1.00 0.00 H new ATOM 0 HA ARG A 75 14.485 17.291 -22.847 1.00 0.00 H new ATOM 0 HB2 ARG A 75 15.992 19.910 -22.958 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.682 19.447 -21.889 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.156 17.912 -20.672 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.463 18.220 -21.798 1.00 0.00 H new ATOM 0 HD2 ARG A 75 16.164 20.428 -20.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.534 19.504 -19.576 1.00 0.00 H new ATOM 0 HE ARG A 75 18.089 20.541 -22.209 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.814 21.506 -18.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.931 22.863 -18.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.517 22.269 -22.427 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.891 23.294 -21.037 1.00 0.00 H new ATOM 1144 N THR A 76 13.225 18.657 -24.576 1.00 0.00 N ATOM 1145 CA THR A 76 12.486 19.197 -25.718 1.00 0.00 C ATOM 1146 C THR A 76 13.046 20.548 -26.169 1.00 0.00 C ATOM 1147 O THR A 76 12.976 20.891 -27.349 1.00 0.00 O ATOM 1148 CB THR A 76 11.005 19.338 -25.369 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.531 18.168 -24.727 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.129 19.587 -26.579 1.00 0.00 C ATOM 0 H THR A 76 12.639 18.389 -23.785 1.00 0.00 H new ATOM 0 HA THR A 76 12.600 18.495 -26.544 1.00 0.00 H new ATOM 0 HB THR A 76 10.941 20.204 -24.710 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.582 18.276 -24.509 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.090 19.678 -26.263 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.441 20.509 -27.070 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.225 18.754 -27.275 1.00 0.00 H new ATOM 1158 N ASN A 77 13.597 21.311 -25.226 1.00 0.00 N ATOM 1159 CA ASN A 77 14.167 22.625 -25.536 1.00 0.00 C ATOM 1160 C ASN A 77 15.592 22.503 -26.085 1.00 0.00 C ATOM 1161 O ASN A 77 16.241 23.510 -26.371 1.00 0.00 O ATOM 1162 CB ASN A 77 14.179 23.513 -24.285 1.00 0.00 C ATOM 1163 CG ASN A 77 12.786 23.900 -23.823 1.00 0.00 C ATOM 1164 OD1 ASN A 77 11.855 23.097 -23.877 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.637 25.139 -23.365 1.00 0.00 N ATOM 0 H ASN A 77 13.662 21.045 -24.244 1.00 0.00 H new ATOM 0 HA ASN A 77 13.538 23.080 -26.301 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.691 22.989 -23.478 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.752 24.417 -24.492 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.723 25.456 -23.041 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.436 25.772 -23.338 1.00 0.00 H new ATOM 1172 N GLY A 78 16.075 21.272 -26.226 1.00 0.00 N ATOM 1173 CA GLY A 78 17.417 21.052 -26.733 1.00 0.00 C ATOM 1174 C GLY A 78 18.449 21.001 -25.632 1.00 0.00 C ATOM 1175 O GLY A 78 18.408 21.785 -24.683 1.00 0.00 O ATOM 0 H GLY A 78 15.560 20.422 -25.998 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.442 20.117 -27.293 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.674 21.849 -27.431 1.00 0.00 H new ATOM 1179 N GLY A 79 19.350 20.049 -25.753 1.00 0.00 N ATOM 1180 CA GLY A 79 20.377 19.852 -24.756 1.00 0.00 C ATOM 1181 C GLY A 79 20.252 18.479 -24.136 1.00 0.00 C ATOM 1182 O GLY A 79 19.407 17.697 -24.560 1.00 0.00 O ATOM 0 H GLY A 79 19.391 19.397 -26.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.361 19.964 -25.211 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.294 20.616 -23.983 1.00 0.00 H new ATOM 1186 N TYR A 80 21.084 18.173 -23.146 1.00 0.00 N ATOM 1187 CA TYR A 80 21.033 16.864 -22.496 1.00 0.00 C ATOM 1188 C TYR A 80 20.927 17.012 -20.983 1.00 0.00 C ATOM 1189 O TYR A 80 21.537 17.905 -20.394 1.00 0.00 O ATOM 1190 CB TYR A 80 22.278 16.047 -22.851 1.00 0.00 C ATOM 1191 CG TYR A 80 22.581 16.014 -24.333 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.626 15.584 -25.243 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.822 16.407 -24.820 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.896 15.545 -26.596 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.099 16.372 -26.174 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.133 15.940 -27.057 1.00 0.00 C ATOM 1197 OH TYR A 80 23.404 15.898 -28.404 1.00 0.00 O ATOM 0 H TYR A 80 21.795 18.804 -22.778 1.00 0.00 H new ATOM 0 HA TYR A 80 20.147 16.342 -22.856 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.137 16.461 -22.323 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.146 15.026 -22.493 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.655 15.274 -24.887 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.581 16.745 -24.130 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.141 15.206 -27.290 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.068 16.682 -26.538 1.00 0.00 H new ATOM 0 HH TYR A 80 24.319 16.210 -28.563 1.00 0.00 H new ATOM 1207 N ASN A 81 20.139 16.146 -20.355 1.00 0.00 N ATOM 1208 CA ASN A 81 19.952 16.201 -18.914 1.00 0.00 C ATOM 1209 C ASN A 81 19.583 14.828 -18.367 1.00 0.00 C ATOM 1210 O ASN A 81 18.673 14.170 -18.868 1.00 0.00 O ATOM 1211 CB ASN A 81 18.868 17.218 -18.563 1.00 0.00 C ATOM 1212 CG ASN A 81 18.939 17.666 -17.117 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.891 18.331 -16.706 1.00 0.00 O ATOM 1214 ND2 ASN A 81 17.930 17.304 -16.335 1.00 0.00 N ATOM 0 H ASN A 81 19.622 15.401 -20.821 1.00 0.00 H new ATOM 0 HA ASN A 81 20.891 16.512 -18.456 1.00 0.00 H new ATOM 0 HB2 ASN A 81 18.965 18.087 -19.214 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.888 16.782 -18.757 1.00 0.00 H new ATOM 0 HD21 ASN A 81 17.923 17.577 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.161 16.753 -16.717 1.00 0.00 H new ATOM 1221 N THR A 82 20.307 14.397 -17.346 1.00 0.00 N ATOM 1222 CA THR A 82 20.073 13.095 -16.733 1.00 0.00 C ATOM 1223 C THR A 82 19.104 13.185 -15.560 1.00 0.00 C ATOM 1224 O THR A 82 19.208 14.080 -14.719 1.00 0.00 O ATOM 1225 CB THR A 82 21.386 12.458 -16.290 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.139 11.344 -15.454 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.291 13.405 -15.539 1.00 0.00 C ATOM 0 H THR A 82 21.065 14.931 -16.921 1.00 0.00 H new ATOM 0 HA THR A 82 19.615 12.461 -17.492 1.00 0.00 H new ATOM 0 HB THR A 82 21.889 12.161 -17.210 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.453 10.775 -15.862 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.206 12.885 -15.255 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.539 14.254 -16.176 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.782 13.761 -14.643 1.00 0.00 H new ATOM 1235 N SER A 83 18.161 12.245 -15.515 1.00 0.00 N ATOM 1236 CA SER A 83 17.161 12.187 -14.455 1.00 0.00 C ATOM 1237 C SER A 83 17.226 10.831 -13.743 1.00 0.00 C ATOM 1238 O SER A 83 17.734 9.849 -14.297 1.00 0.00 O ATOM 1239 CB SER A 83 15.758 12.417 -15.034 1.00 0.00 C ATOM 1240 OG SER A 83 15.291 11.266 -15.718 1.00 0.00 O ATOM 0 H SER A 83 18.070 11.505 -16.211 1.00 0.00 H new ATOM 0 HA SER A 83 17.371 12.974 -13.731 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.067 12.671 -14.230 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.778 13.266 -15.717 1.00 0.00 H new ATOM 0 HG SER A 83 15.265 11.446 -16.681 1.00 0.00 H new ATOM 1246 N SER A 84 16.720 10.784 -12.514 1.00 0.00 N ATOM 1247 CA SER A 84 16.728 9.555 -11.729 1.00 0.00 C ATOM 1248 C SER A 84 15.319 9.199 -11.261 1.00 0.00 C ATOM 1249 O SER A 84 14.506 10.081 -10.983 1.00 0.00 O ATOM 1250 CB SER A 84 17.660 9.701 -10.522 1.00 0.00 C ATOM 1251 OG SER A 84 19.015 9.768 -10.931 1.00 0.00 O ATOM 0 H SER A 84 16.299 11.584 -12.041 1.00 0.00 H new ATOM 0 HA SER A 84 17.094 8.749 -12.365 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.400 10.601 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.522 8.856 -9.847 1.00 0.00 H new ATOM 0 HG SER A 84 19.590 9.863 -10.143 1.00 0.00 H new ATOM 1257 N ILE A 85 15.035 7.901 -11.177 1.00 0.00 N ATOM 1258 CA ILE A 85 13.718 7.433 -10.748 1.00 0.00 C ATOM 1259 C ILE A 85 13.810 6.123 -9.957 1.00 0.00 C ATOM 1260 O ILE A 85 14.629 5.260 -10.266 1.00 0.00 O ATOM 1261 CB ILE A 85 12.782 7.243 -11.967 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.342 6.990 -11.505 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.273 6.108 -12.860 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.352 6.807 -12.641 1.00 0.00 C ATOM 0 H ILE A 85 15.696 7.157 -11.399 1.00 0.00 H new ATOM 0 HA ILE A 85 13.303 8.198 -10.091 1.00 0.00 H new ATOM 0 HB ILE A 85 12.797 8.161 -12.554 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.325 6.101 -10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.018 7.826 -10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.598 5.995 -13.709 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.276 6.337 -13.221 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.296 5.180 -12.289 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.357 6.633 -12.232 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.338 7.704 -13.260 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.649 5.952 -13.249 1.00 0.00 H new ATOM 1276 N ASP A 86 12.952 5.980 -8.942 1.00 0.00 N ATOM 1277 CA ASP A 86 12.927 4.771 -8.111 1.00 0.00 C ATOM 1278 C ASP A 86 11.866 3.794 -8.623 1.00 0.00 C ATOM 1279 O ASP A 86 10.685 4.132 -8.684 1.00 0.00 O ATOM 1280 CB ASP A 86 12.639 5.136 -6.652 1.00 0.00 C ATOM 1281 CG ASP A 86 13.069 4.047 -5.689 1.00 0.00 C ATOM 1282 OD1 ASP A 86 14.267 4.008 -5.335 1.00 0.00 O ATOM 1283 OD2 ASP A 86 12.211 3.234 -5.289 1.00 0.00 O ATOM 0 H ASP A 86 12.266 6.686 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 86 13.904 4.292 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.156 6.063 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.572 5.324 -6.531 1.00 0.00 H new ATOM 1288 N LEU A 87 12.293 2.593 -9.012 1.00 0.00 N ATOM 1289 CA LEU A 87 11.363 1.590 -9.549 1.00 0.00 C ATOM 1290 C LEU A 87 10.964 0.531 -8.514 1.00 0.00 C ATOM 1291 O LEU A 87 10.125 -0.324 -8.802 1.00 0.00 O ATOM 1292 CB LEU A 87 11.962 0.914 -10.784 1.00 0.00 C ATOM 1293 CG LEU A 87 12.725 1.850 -11.723 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.605 1.061 -12.686 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.749 2.728 -12.485 1.00 0.00 C ATOM 0 H LEU A 87 13.266 2.289 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 87 10.455 2.125 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.636 0.123 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.159 0.436 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 87 13.376 2.486 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.136 1.751 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.326 0.471 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.983 0.396 -13.286 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.300 3.392 -13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.077 2.101 -13.071 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.168 3.323 -11.780 1.00 0.00 H new ATOM 1307 N ASN A 88 11.572 0.560 -7.326 1.00 0.00 N ATOM 1308 CA ASN A 88 11.279 -0.435 -6.285 1.00 0.00 C ATOM 1309 C ASN A 88 9.775 -0.687 -6.140 1.00 0.00 C ATOM 1310 O ASN A 88 9.359 -1.783 -5.764 1.00 0.00 O ATOM 1311 CB ASN A 88 11.846 0.049 -4.944 1.00 0.00 C ATOM 1312 CG ASN A 88 11.770 -1.009 -3.861 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.265 -2.200 -4.167 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.270 -0.758 -2.763 1.00 0.00 N flip ATOM 0 H ASN A 88 12.267 1.257 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 88 11.747 -1.374 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.885 0.349 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.298 0.934 -4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.901 0.174 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.225 -1.482 -2.046 1.00 0.00 H new ATOM 1321 N SER A 89 8.968 0.322 -6.442 1.00 0.00 N ATOM 1322 CA SER A 89 7.514 0.197 -6.340 1.00 0.00 C ATOM 1323 C SER A 89 6.891 -0.500 -7.555 1.00 0.00 C ATOM 1324 O SER A 89 5.926 -1.253 -7.414 1.00 0.00 O ATOM 1325 CB SER A 89 6.886 1.580 -6.158 1.00 0.00 C ATOM 1326 OG SER A 89 5.794 1.530 -5.256 1.00 0.00 O ATOM 0 H SER A 89 9.292 1.236 -6.759 1.00 0.00 H new ATOM 0 HA SER A 89 7.307 -0.428 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.637 2.278 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.548 1.959 -7.122 1.00 0.00 H new ATOM 0 HG SER A 89 5.411 2.427 -5.156 1.00 0.00 H new ATOM 1332 N VAL A 90 7.407 -0.217 -8.749 1.00 0.00 N ATOM 1333 CA VAL A 90 6.848 -0.802 -9.967 1.00 0.00 C ATOM 1334 C VAL A 90 7.199 -2.283 -10.161 1.00 0.00 C ATOM 1335 O VAL A 90 6.311 -3.101 -10.398 1.00 0.00 O ATOM 1336 CB VAL A 90 7.244 0.002 -11.228 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.073 1.486 -10.977 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.670 -0.291 -11.669 1.00 0.00 C ATOM 0 H VAL A 90 8.201 0.405 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 90 5.768 -0.745 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 90 6.580 -0.310 -12.034 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.355 2.041 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.032 1.696 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.709 1.790 -10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.904 0.296 -12.557 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.360 -0.027 -10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.769 -1.352 -11.898 1.00 0.00 H new ATOM 1348 N ILE A 91 8.482 -2.619 -10.094 1.00 0.00 N ATOM 1349 CA ILE A 91 8.915 -3.999 -10.294 1.00 0.00 C ATOM 1350 C ILE A 91 8.779 -4.833 -9.011 1.00 0.00 C ATOM 1351 O ILE A 91 8.931 -4.318 -7.905 1.00 0.00 O ATOM 1352 CB ILE A 91 10.366 -4.040 -10.841 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.413 -3.419 -12.251 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.907 -5.464 -10.867 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.147 -2.092 -12.315 1.00 0.00 C ATOM 0 H ILE A 91 9.237 -1.960 -9.904 1.00 0.00 H new ATOM 0 HA ILE A 91 8.256 -4.449 -11.036 1.00 0.00 H new ATOM 0 HB ILE A 91 11.000 -3.457 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.894 -4.122 -12.931 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.393 -3.276 -12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.926 -5.459 -11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.906 -5.872 -9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.277 -6.081 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.137 -1.720 -13.339 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.654 -1.372 -11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.178 -2.230 -11.990 1.00 0.00 H new ATOM 1367 N GLU A 92 8.463 -6.121 -9.180 1.00 0.00 N ATOM 1368 CA GLU A 92 8.269 -7.040 -8.058 1.00 0.00 C ATOM 1369 C GLU A 92 8.969 -8.367 -8.336 1.00 0.00 C ATOM 1370 O GLU A 92 9.331 -8.646 -9.480 1.00 0.00 O ATOM 1371 CB GLU A 92 6.773 -7.296 -7.856 1.00 0.00 C ATOM 1372 CG GLU A 92 6.439 -7.901 -6.504 1.00 0.00 C ATOM 1373 CD GLU A 92 4.978 -7.733 -6.132 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.148 -8.535 -6.610 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.667 -6.803 -5.360 1.00 0.00 O ATOM 0 H GLU A 92 8.335 -6.553 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 92 8.693 -6.591 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.233 -6.356 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.417 -7.963 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.687 -8.962 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.060 -7.436 -5.739 1.00 0.00 H new ATOM 1382 N ASN A 93 9.170 -9.187 -7.303 1.00 0.00 N ATOM 1383 CA ASN A 93 9.840 -10.471 -7.483 1.00 0.00 C ATOM 1384 C ASN A 93 8.847 -11.626 -7.380 1.00 0.00 C ATOM 1385 O ASN A 93 8.484 -12.064 -6.288 1.00 0.00 O ATOM 1386 CB ASN A 93 10.948 -10.638 -6.439 1.00 0.00 C ATOM 1387 CG ASN A 93 11.699 -11.952 -6.578 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.634 -12.612 -7.615 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.424 -12.334 -5.530 1.00 0.00 N ATOM 0 H ASN A 93 8.882 -8.987 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 93 10.281 -10.487 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.653 -9.811 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.512 -10.578 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.954 -13.205 -5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.450 -11.756 -4.690 1.00 0.00 H new ATOM 1396 N VAL A 94 8.438 -12.122 -8.539 1.00 0.00 N ATOM 1397 CA VAL A 94 7.507 -13.238 -8.621 1.00 0.00 C ATOM 1398 C VAL A 94 8.253 -14.555 -8.821 1.00 0.00 C ATOM 1399 O VAL A 94 8.612 -14.904 -9.946 1.00 0.00 O ATOM 1400 CB VAL A 94 6.497 -13.035 -9.768 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.489 -14.174 -9.820 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.788 -11.698 -9.615 1.00 0.00 C ATOM 0 H VAL A 94 8.741 -11.764 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 94 6.962 -13.279 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 94 7.047 -13.034 -10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.790 -14.004 -10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.013 -15.116 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.942 -14.219 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.078 -11.567 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.256 -11.675 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.522 -10.892 -9.640 1.00 0.00 H new ATOM 1412 N ASP A 95 8.484 -15.285 -7.731 1.00 0.00 N ATOM 1413 CA ASP A 95 9.183 -16.567 -7.793 1.00 0.00 C ATOM 1414 C ASP A 95 10.508 -16.458 -8.544 1.00 0.00 C ATOM 1415 O ASP A 95 10.934 -17.406 -9.202 1.00 0.00 O ATOM 1416 CB ASP A 95 8.287 -17.622 -8.445 1.00 0.00 C ATOM 1417 CG ASP A 95 8.714 -19.036 -8.103 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.025 -19.291 -6.920 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.733 -19.889 -9.015 1.00 0.00 O ATOM 0 H ASP A 95 8.196 -15.009 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 95 9.412 -16.869 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.257 -17.469 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.306 -17.492 -9.527 1.00 0.00 H new ATOM 1424 N GLY A 96 11.164 -15.308 -8.428 1.00 0.00 N ATOM 1425 CA GLY A 96 12.447 -15.121 -9.089 1.00 0.00 C ATOM 1426 C GLY A 96 12.327 -14.447 -10.439 1.00 0.00 C ATOM 1427 O GLY A 96 13.149 -14.674 -11.327 1.00 0.00 O ATOM 0 H GLY A 96 10.834 -14.505 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.096 -14.524 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.929 -16.091 -9.215 1.00 0.00 H new ATOM 1431 N SER A 97 11.302 -13.620 -10.601 1.00 0.00 N ATOM 1432 CA SER A 97 11.092 -12.920 -11.859 1.00 0.00 C ATOM 1433 C SER A 97 10.588 -11.499 -11.618 1.00 0.00 C ATOM 1434 O SER A 97 9.707 -11.273 -10.788 1.00 0.00 O ATOM 1435 CB SER A 97 10.111 -13.697 -12.736 1.00 0.00 C ATOM 1436 OG SER A 97 10.627 -14.977 -13.067 1.00 0.00 O ATOM 0 H SER A 97 10.608 -13.419 -9.881 1.00 0.00 H new ATOM 0 HA SER A 97 12.048 -12.852 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.161 -13.808 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.910 -13.135 -13.648 1.00 0.00 H new ATOM 0 HG SER A 97 9.981 -15.455 -13.627 1.00 0.00 H new ATOM 1442 N LEU A 98 11.166 -10.543 -12.341 1.00 0.00 N ATOM 1443 CA LEU A 98 10.788 -9.139 -12.203 1.00 0.00 C ATOM 1444 C LEU A 98 9.445 -8.861 -12.872 1.00 0.00 C ATOM 1445 O LEU A 98 9.270 -9.111 -14.064 1.00 0.00 O ATOM 1446 CB LEU A 98 11.872 -8.238 -12.804 1.00 0.00 C ATOM 1447 CG LEU A 98 13.288 -8.525 -12.309 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.274 -7.541 -12.920 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.334 -8.463 -10.791 1.00 0.00 C ATOM 0 H LEU A 98 11.899 -10.715 -13.029 1.00 0.00 H new ATOM 0 HA LEU A 98 10.689 -8.919 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.853 -8.344 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.627 -7.200 -12.580 1.00 0.00 H new ATOM 0 HG LEU A 98 13.573 -9.529 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.278 -7.759 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.253 -7.632 -14.006 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.998 -6.526 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.348 -8.669 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.034 -7.469 -10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.653 -9.206 -10.376 1.00 0.00 H new ATOM 1461 N LYS A 99 8.492 -8.362 -12.089 1.00 0.00 N ATOM 1462 CA LYS A 99 7.153 -8.068 -12.596 1.00 0.00 C ATOM 1463 C LYS A 99 6.727 -6.637 -12.298 1.00 0.00 C ATOM 1464 O LYS A 99 6.886 -6.146 -11.182 1.00 0.00 O ATOM 1465 CB LYS A 99 6.141 -9.038 -11.987 1.00 0.00 C ATOM 1466 CG LYS A 99 6.092 -10.385 -12.690 1.00 0.00 C ATOM 1467 CD LYS A 99 4.669 -10.764 -13.071 1.00 0.00 C ATOM 1468 CE LYS A 99 4.636 -12.081 -13.827 1.00 0.00 C ATOM 1469 NZ LYS A 99 4.693 -11.873 -15.299 1.00 0.00 N ATOM 0 H LYS A 99 8.622 -8.152 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 99 7.183 -8.188 -13.679 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.386 -9.194 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.150 -8.584 -12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.713 -10.352 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.512 -11.152 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.057 -10.842 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.232 -9.977 -13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.476 -12.701 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.726 -12.624 -13.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.668 -12.794 -15.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.878 -11.302 -15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.573 -11.377 -15.546 1.00 0.00 H new ATOM 1483 N TYR A 100 6.171 -5.979 -13.310 1.00 0.00 N ATOM 1484 CA TYR A 100 5.701 -4.608 -13.171 1.00 0.00 C ATOM 1485 C TYR A 100 4.265 -4.587 -12.659 1.00 0.00 C ATOM 1486 O TYR A 100 3.347 -5.043 -13.338 1.00 0.00 O ATOM 1487 CB TYR A 100 5.791 -3.882 -14.514 1.00 0.00 C ATOM 1488 CG TYR A 100 5.485 -2.407 -14.433 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.196 -1.962 -14.175 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.484 -1.458 -14.619 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.908 -0.613 -14.103 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.203 -0.106 -14.550 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.913 0.311 -14.292 1.00 0.00 C ATOM 1494 OH TYR A 100 4.631 1.655 -14.226 1.00 0.00 O ATOM 0 H TYR A 100 6.035 -6.377 -14.239 1.00 0.00 H new ATOM 0 HA TYR A 100 6.336 -4.095 -12.449 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.794 -4.013 -14.920 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.099 -4.349 -15.215 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.405 -2.682 -14.028 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.494 -1.782 -14.820 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.900 -0.284 -13.900 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.989 0.620 -14.697 1.00 0.00 H new ATOM 0 HH TYR A 100 5.447 2.169 -14.397 1.00 0.00 H new