USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=26 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 62 SER OG : rot 155:sc= 0.205 USER MOD Set 1.2: A 71 SER OG : rot 120:sc= -0.169 USER MOD Set 2.1: A 17 SER OG : rot 25:sc= -1.21 USER MOD Set 2.2: A 56 SER OG : rot -123:sc= 0.101 USER MOD Set 3.1: A 51 GLN : amide:sc= 0.522 K(o=-1,f=-2.5) USER MOD Set 3.2: A 53 SER OG : rot -156:sc= -1.56 USER MOD Set 4.1: A 43 ASN : amide:sc= -3.33! C(o=-5.4!,f=-5.4!) USER MOD Set 4.2: A 58 THR OG1 : rot 125:sc= -2.11! USER MOD Set 5.1: A 7 THR OG1 : rot -160:sc= 0 USER MOD Set 5.2: A 93 ASN : amide:sc= -0.789 K(o=-0.79,f=-8.4!) USER MOD Single : A 10 ASN : amide:sc= -6.69! C(o=-6.7!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.963 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0.0085) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0284 X(o=-0.028,f=-0.19) USER MOD Single : A 29 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 32 SER OG : rot 180:sc=-0.000935 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.617 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4 K(o=-4,f=-5.6!) USER MOD Single : A 40 HIS : no HD1:sc= -3.52 X(o=-3.5,f=-3.4) 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 54 ASN : amide:sc= -3.53! C(o=-3.5!,f=-5.5!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 60 TYR OH : rot -44:sc= 1.85 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.7!) USER MOD Single : A 67 SER OG : rot 85:sc= 0.104 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 77 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.1) 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 32:sc= 1.21 USER MOD Single : A 83 SER OG : rot -128:sc= -0.671 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -5.27! C(o=-5.8!,f=-5.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 79:sc= 0.431 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -179:sc= 0.859 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.121 -4.897 -5.113 1.00 0.00 N ATOM 59 CA PHE A 4 11.891 -5.978 -5.735 1.00 0.00 C ATOM 60 C PHE A 4 13.358 -5.935 -5.310 1.00 0.00 C ATOM 61 O PHE A 4 13.981 -6.975 -5.102 1.00 0.00 O ATOM 62 CB PHE A 4 11.777 -5.910 -7.265 1.00 0.00 C ATOM 63 CG PHE A 4 12.600 -4.826 -7.909 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.174 -3.509 -7.889 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.795 -5.131 -8.540 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.925 -2.514 -8.488 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.550 -4.141 -9.139 1.00 0.00 C ATOM 68 CZ PHE A 4 14.115 -2.832 -9.113 1.00 0.00 C ATOM 0 HA PHE A 4 11.470 -6.923 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.077 -6.871 -7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.731 -5.760 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.245 -3.256 -7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.140 -6.154 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.582 -1.490 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.480 -4.392 -9.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.704 -2.057 -9.581 1.00 0.00 H new ATOM 78 N ILE A 5 13.907 -4.731 -5.183 1.00 0.00 N ATOM 79 CA ILE A 5 15.301 -4.578 -4.784 1.00 0.00 C ATOM 80 C ILE A 5 15.523 -5.075 -3.356 1.00 0.00 C ATOM 81 O ILE A 5 16.659 -5.303 -2.939 1.00 0.00 O ATOM 82 CB ILE A 5 15.770 -3.109 -4.896 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.295 -3.032 -4.825 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.141 -2.247 -3.809 1.00 0.00 C ATOM 85 CD1 ILE A 5 17.972 -3.254 -6.158 1.00 0.00 C ATOM 0 H ILE A 5 13.413 -3.854 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 5 15.893 -5.184 -5.470 1.00 0.00 H new ATOM 0 HB ILE A 5 15.444 -2.722 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.584 -2.055 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.656 -3.776 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.489 -1.219 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.056 -2.274 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.428 -2.630 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.053 -3.185 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.713 -4.242 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.640 -2.495 -6.866 1.00 0.00 H new ATOM 97 N GLU A 6 14.433 -5.272 -2.617 1.00 0.00 N ATOM 98 CA GLU A 6 14.525 -5.770 -1.251 1.00 0.00 C ATOM 99 C GLU A 6 14.813 -7.272 -1.246 1.00 0.00 C ATOM 100 O GLU A 6 15.420 -7.794 -0.311 1.00 0.00 O ATOM 101 CB GLU A 6 13.229 -5.476 -0.489 1.00 0.00 C ATOM 102 CG GLU A 6 13.194 -4.094 0.146 1.00 0.00 C ATOM 103 CD GLU A 6 13.019 -2.986 -0.874 1.00 0.00 C ATOM 104 OE1 GLU A 6 12.254 -3.185 -1.840 1.00 0.00 O ATOM 105 OE2 GLU A 6 13.647 -1.919 -0.706 1.00 0.00 O ATOM 0 H GLU A 6 13.482 -5.095 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 6 15.348 -5.258 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.386 -5.574 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.097 -6.227 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.378 -4.051 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.118 -3.930 0.700 1.00 0.00 H new ATOM 112 N THR A 7 14.391 -7.960 -2.308 1.00 0.00 N ATOM 113 CA THR A 7 14.628 -9.395 -2.434 1.00 0.00 C ATOM 114 C THR A 7 15.469 -9.710 -3.674 1.00 0.00 C ATOM 115 O THR A 7 15.478 -10.844 -4.156 1.00 0.00 O ATOM 116 CB THR A 7 13.305 -10.164 -2.481 1.00 0.00 C ATOM 117 OG1 THR A 7 12.453 -9.641 -3.483 1.00 0.00 O ATOM 118 CG2 THR A 7 12.549 -10.133 -1.169 1.00 0.00 C ATOM 0 H THR A 7 13.885 -7.546 -3.091 1.00 0.00 H new ATOM 0 HA THR A 7 15.185 -9.716 -1.554 1.00 0.00 H new ATOM 0 HB THR A 7 13.579 -11.196 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.529 -9.910 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.621 -10.696 -1.270 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.161 -10.580 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.320 -9.100 -0.906 1.00 0.00 H new ATOM 126 N CYS A 8 16.167 -8.705 -4.198 1.00 0.00 N ATOM 127 CA CYS A 8 16.989 -8.897 -5.387 1.00 0.00 C ATOM 128 C CYS A 8 18.392 -8.327 -5.203 1.00 0.00 C ATOM 129 O CYS A 8 18.609 -7.414 -4.405 1.00 0.00 O ATOM 130 CB CYS A 8 16.325 -8.252 -6.608 1.00 0.00 C ATOM 131 SG CYS A 8 14.700 -8.960 -7.038 1.00 0.00 S ATOM 0 H CYS A 8 16.179 -7.757 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 8 17.079 -9.971 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.206 -7.185 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.991 -8.353 -7.465 1.00 0.00 H new ATOM 136 N ARG A 9 19.338 -8.877 -5.957 1.00 0.00 N ATOM 137 CA ARG A 9 20.728 -8.441 -5.894 1.00 0.00 C ATOM 138 C ARG A 9 21.316 -8.276 -7.295 1.00 0.00 C ATOM 139 O ARG A 9 20.675 -8.617 -8.288 1.00 0.00 O ATOM 140 CB ARG A 9 21.562 -9.437 -5.085 1.00 0.00 C ATOM 141 CG ARG A 9 21.257 -10.890 -5.409 1.00 0.00 C ATOM 142 CD ARG A 9 22.316 -11.826 -4.849 1.00 0.00 C ATOM 143 NE ARG A 9 22.596 -12.932 -5.762 1.00 0.00 N ATOM 144 CZ ARG A 9 23.717 -13.649 -5.746 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.673 -13.384 -4.864 1.00 0.00 N ATOM 146 NH2 ARG A 9 23.881 -14.636 -6.615 1.00 0.00 N ATOM 0 H ARG A 9 19.165 -9.630 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 9 20.755 -7.471 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.619 -9.247 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.387 -9.266 -4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.283 -11.157 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.195 -11.016 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.233 -11.268 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.982 -12.221 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 9 21.887 -13.170 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.551 -12.626 -4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.529 -13.938 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.149 -14.845 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.739 -15.187 -6.605 1.00 0.00 H new ATOM 160 N ASN A 10 22.536 -7.744 -7.366 1.00 0.00 N ATOM 161 CA ASN A 10 23.224 -7.521 -8.642 1.00 0.00 C ATOM 162 C ASN A 10 22.345 -6.801 -9.660 1.00 0.00 C ATOM 163 O ASN A 10 22.136 -7.287 -10.773 1.00 0.00 O ATOM 164 CB ASN A 10 23.761 -8.835 -9.234 1.00 0.00 C ATOM 165 CG ASN A 10 22.829 -10.016 -9.059 1.00 0.00 C ATOM 166 OD1 ASN A 10 21.847 -10.166 -9.786 1.00 0.00 O ATOM 167 ND2 ASN A 10 23.143 -10.870 -8.089 1.00 0.00 N ATOM 0 H ASN A 10 23.074 -7.457 -6.548 1.00 0.00 H new ATOM 0 HA ASN A 10 24.071 -6.871 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 10 23.953 -8.691 -10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.718 -9.068 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.560 -11.690 -7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.967 -10.705 -7.511 1.00 0.00 H new ATOM 174 N THR A 11 21.860 -5.621 -9.283 1.00 0.00 N ATOM 175 CA THR A 11 21.043 -4.812 -10.175 1.00 0.00 C ATOM 176 C THR A 11 21.940 -4.075 -11.164 1.00 0.00 C ATOM 177 O THR A 11 22.920 -3.442 -10.772 1.00 0.00 O ATOM 178 CB THR A 11 20.189 -3.820 -9.381 1.00 0.00 C ATOM 179 OG1 THR A 11 20.937 -3.245 -8.326 1.00 0.00 O ATOM 180 CG2 THR A 11 18.948 -4.445 -8.776 1.00 0.00 C ATOM 0 H THR A 11 22.020 -5.206 -8.365 1.00 0.00 H new ATOM 0 HA THR A 11 20.369 -5.468 -10.726 1.00 0.00 H new ATOM 0 HB THR A 11 19.880 -3.065 -10.104 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.851 -3.068 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.389 -3.687 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.322 -4.853 -9.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.239 -5.245 -8.095 1.00 0.00 H new ATOM 188 N GLN A 12 21.601 -4.163 -12.444 1.00 0.00 N ATOM 189 CA GLN A 12 22.385 -3.507 -13.487 1.00 0.00 C ATOM 190 C GLN A 12 21.554 -3.248 -14.734 1.00 0.00 C ATOM 191 O GLN A 12 20.486 -3.833 -14.915 1.00 0.00 O ATOM 192 CB GLN A 12 23.627 -4.328 -13.837 1.00 0.00 C ATOM 193 CG GLN A 12 23.316 -5.705 -14.393 1.00 0.00 C ATOM 194 CD GLN A 12 24.254 -6.098 -15.516 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.212 -5.525 -16.604 1.00 0.00 O ATOM 196 NE2 GLN A 12 25.113 -7.075 -15.254 1.00 0.00 N ATOM 0 H GLN A 12 20.791 -4.680 -12.786 1.00 0.00 H new ATOM 0 HA GLN A 12 22.705 -2.543 -13.092 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.221 -3.778 -14.567 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.242 -4.438 -12.944 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.383 -6.441 -13.592 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.289 -5.724 -14.757 1.00 0.00 H new ATOM 0 HE21 GLN A 12 25.113 -7.522 -14.337 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.774 -7.379 -15.969 1.00 0.00 H new ATOM 205 N LEU A 13 22.056 -2.365 -15.592 1.00 0.00 N ATOM 206 CA LEU A 13 21.361 -2.022 -16.823 1.00 0.00 C ATOM 207 C LEU A 13 21.917 -2.800 -18.002 1.00 0.00 C ATOM 208 O LEU A 13 23.131 -2.936 -18.163 1.00 0.00 O ATOM 209 CB LEU A 13 21.474 -0.530 -17.125 1.00 0.00 C ATOM 210 CG LEU A 13 20.708 -0.088 -18.374 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.578 0.851 -17.999 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.640 0.567 -19.383 1.00 0.00 C ATOM 0 H LEU A 13 22.941 -1.876 -15.456 1.00 0.00 H new ATOM 0 HA LEU A 13 20.313 -2.284 -16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.106 0.033 -16.267 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.526 -0.273 -17.247 1.00 0.00 H new ATOM 0 HG LEU A 13 20.279 -0.975 -18.841 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.044 1.155 -18.899 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.890 0.341 -17.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.986 1.732 -17.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.070 0.871 -20.261 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.107 1.443 -18.932 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.412 -0.143 -19.680 1.00 0.00 H new ATOM 224 N ALA A 14 21.012 -3.298 -18.829 1.00 0.00 N ATOM 225 CA ALA A 14 21.374 -4.055 -20.012 1.00 0.00 C ATOM 226 C ALA A 14 20.836 -3.349 -21.251 1.00 0.00 C ATOM 227 O ALA A 14 19.751 -2.768 -21.213 1.00 0.00 O ATOM 228 CB ALA A 14 20.817 -5.466 -19.909 1.00 0.00 C ATOM 0 H ALA A 14 20.007 -3.188 -18.697 1.00 0.00 H new ATOM 0 HA ALA A 14 22.459 -4.119 -20.091 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.091 -6.031 -20.800 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.229 -5.956 -19.027 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.731 -5.423 -19.826 1.00 0.00 H new ATOM 234 N GLY A 15 21.591 -3.377 -22.341 1.00 0.00 N ATOM 235 CA GLY A 15 21.145 -2.710 -23.551 1.00 0.00 C ATOM 236 C GLY A 15 20.924 -1.226 -23.328 1.00 0.00 C ATOM 237 O GLY A 15 21.611 -0.611 -22.512 1.00 0.00 O ATOM 0 H GLY A 15 22.495 -3.844 -22.411 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.885 -2.853 -24.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.218 -3.167 -23.898 1.00 0.00 H new ATOM 241 N SER A 16 19.994 -0.637 -24.074 1.00 0.00 N ATOM 242 CA SER A 16 19.735 0.795 -23.962 1.00 0.00 C ATOM 243 C SER A 16 18.730 1.129 -22.864 1.00 0.00 C ATOM 244 O SER A 16 18.872 2.152 -22.194 1.00 0.00 O ATOM 245 CB SER A 16 19.202 1.334 -25.289 1.00 0.00 C ATOM 246 OG SER A 16 19.872 0.742 -26.389 1.00 0.00 O ATOM 0 H SER A 16 19.412 -1.123 -24.756 1.00 0.00 H new ATOM 0 HA SER A 16 20.685 1.264 -23.704 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.133 1.136 -25.362 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.329 2.416 -25.322 1.00 0.00 H new ATOM 0 HG SER A 16 19.510 1.103 -27.225 1.00 0.00 H new ATOM 252 N SER A 17 17.708 0.294 -22.676 1.00 0.00 N ATOM 253 CA SER A 17 16.707 0.575 -21.658 1.00 0.00 C ATOM 254 C SER A 17 16.199 -0.685 -20.948 1.00 0.00 C ATOM 255 O SER A 17 15.026 -0.765 -20.590 1.00 0.00 O ATOM 256 CB SER A 17 15.549 1.344 -22.292 1.00 0.00 C ATOM 257 OG SER A 17 15.253 0.846 -23.585 1.00 0.00 O ATOM 0 H SER A 17 17.556 -0.565 -23.205 1.00 0.00 H new ATOM 0 HA SER A 17 17.182 1.181 -20.887 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.666 1.266 -21.658 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.803 2.402 -22.356 1.00 0.00 H new ATOM 0 HG SER A 17 15.546 -0.087 -23.651 1.00 0.00 H new ATOM 263 N GLU A 18 17.081 -1.658 -20.737 1.00 0.00 N ATOM 264 CA GLU A 18 16.707 -2.896 -20.046 1.00 0.00 C ATOM 265 C GLU A 18 17.433 -3.032 -18.711 1.00 0.00 C ATOM 266 O GLU A 18 18.578 -2.605 -18.570 1.00 0.00 O ATOM 267 CB GLU A 18 16.993 -4.124 -20.912 1.00 0.00 C ATOM 268 CG GLU A 18 15.913 -4.414 -21.936 1.00 0.00 C ATOM 269 CD GLU A 18 16.288 -3.967 -23.336 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.242 -2.748 -23.603 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.626 -4.837 -24.166 1.00 0.00 O ATOM 0 H GLU A 18 18.057 -1.617 -21.032 1.00 0.00 H new ATOM 0 HA GLU A 18 15.635 -2.840 -19.856 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.942 -3.980 -21.429 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.111 -4.994 -20.266 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.707 -5.484 -21.945 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.992 -3.915 -21.636 1.00 0.00 H new ATOM 278 N LEU A 19 16.758 -3.638 -17.736 1.00 0.00 N ATOM 279 CA LEU A 19 17.333 -3.851 -16.413 1.00 0.00 C ATOM 280 C LEU A 19 17.368 -5.342 -16.111 1.00 0.00 C ATOM 281 O LEU A 19 16.335 -6.011 -16.134 1.00 0.00 O ATOM 282 CB LEU A 19 16.513 -3.106 -15.348 1.00 0.00 C ATOM 283 CG LEU A 19 16.704 -3.578 -13.900 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.172 -3.536 -13.500 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.874 -2.725 -12.954 1.00 0.00 C ATOM 0 H LEU A 19 15.807 -3.991 -17.840 1.00 0.00 H new ATOM 0 HA LEU A 19 18.350 -3.459 -16.395 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.764 -2.047 -15.400 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.457 -3.196 -15.602 1.00 0.00 H new ATOM 0 HG LEU A 19 16.365 -4.612 -13.833 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.278 -3.875 -12.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.747 -4.188 -14.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.543 -2.515 -13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.019 -3.071 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.187 -1.684 -13.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.820 -2.808 -13.219 1.00 0.00 H new ATOM 297 N ALA A 20 18.547 -5.869 -15.816 1.00 0.00 N ATOM 298 CA ALA A 20 18.672 -7.278 -15.502 1.00 0.00 C ATOM 299 C ALA A 20 19.238 -7.444 -14.098 1.00 0.00 C ATOM 300 O ALA A 20 20.056 -6.642 -13.644 1.00 0.00 O ATOM 301 CB ALA A 20 19.522 -7.982 -16.550 1.00 0.00 C ATOM 0 H ALA A 20 19.422 -5.345 -15.788 1.00 0.00 H new ATOM 0 HA ALA A 20 17.688 -7.746 -15.521 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.606 -9.040 -16.300 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.054 -7.877 -17.529 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.516 -7.534 -16.573 1.00 0.00 H new ATOM 307 N ALA A 21 18.772 -8.471 -13.408 1.00 0.00 N ATOM 308 CA ALA A 21 19.197 -8.736 -12.041 1.00 0.00 C ATOM 309 C ALA A 21 18.886 -10.173 -11.645 1.00 0.00 C ATOM 310 O ALA A 21 18.184 -10.883 -12.365 1.00 0.00 O ATOM 311 CB ALA A 21 18.525 -7.765 -11.084 1.00 0.00 C ATOM 0 H ALA A 21 18.095 -9.140 -13.774 1.00 0.00 H new ATOM 0 HA ALA A 21 20.276 -8.595 -11.984 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.851 -7.974 -10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.798 -6.744 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.443 -7.880 -11.149 1.00 0.00 H new ATOM 317 N GLU A 22 19.361 -10.585 -10.477 1.00 0.00 N ATOM 318 CA GLU A 22 19.073 -11.918 -9.972 1.00 0.00 C ATOM 319 C GLU A 22 18.178 -11.783 -8.744 1.00 0.00 C ATOM 320 O GLU A 22 18.429 -10.937 -7.886 1.00 0.00 O ATOM 321 CB GLU A 22 20.367 -12.658 -9.623 1.00 0.00 C ATOM 322 CG GLU A 22 21.312 -12.822 -10.805 1.00 0.00 C ATOM 323 CD GLU A 22 22.647 -13.425 -10.408 1.00 0.00 C ATOM 324 OE1 GLU A 22 23.073 -13.217 -9.252 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.268 -14.104 -11.253 1.00 0.00 O ATOM 0 H GLU A 22 19.945 -10.016 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 22 18.563 -12.501 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.882 -12.118 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.118 -13.643 -9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.841 -13.456 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.480 -11.850 -11.268 1.00 0.00 H new ATOM 332 N CYS A 23 17.121 -12.585 -8.656 1.00 0.00 N ATOM 333 CA CYS A 23 16.210 -12.483 -7.522 1.00 0.00 C ATOM 334 C CYS A 23 15.931 -13.838 -6.883 1.00 0.00 C ATOM 335 O CYS A 23 15.691 -14.830 -7.571 1.00 0.00 O ATOM 336 CB CYS A 23 14.896 -11.839 -7.966 1.00 0.00 C ATOM 337 SG CYS A 23 15.087 -10.154 -8.634 1.00 0.00 S ATOM 0 H CYS A 23 16.877 -13.299 -9.342 1.00 0.00 H new ATOM 0 HA CYS A 23 16.694 -11.860 -6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.432 -12.469 -8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.213 -11.807 -7.117 1.00 0.00 H new ATOM 342 N LYS A 24 15.981 -13.866 -5.556 1.00 0.00 N ATOM 343 CA LYS A 24 15.741 -15.092 -4.809 1.00 0.00 C ATOM 344 C LYS A 24 14.293 -15.546 -4.940 1.00 0.00 C ATOM 345 O LYS A 24 13.362 -14.747 -4.832 1.00 0.00 O ATOM 346 CB LYS A 24 16.102 -14.912 -3.329 1.00 0.00 C ATOM 347 CG LYS A 24 15.219 -13.915 -2.592 1.00 0.00 C ATOM 348 CD LYS A 24 15.326 -14.080 -1.082 1.00 0.00 C ATOM 349 CE LYS A 24 16.334 -13.112 -0.481 1.00 0.00 C ATOM 350 NZ LYS A 24 15.992 -12.752 0.924 1.00 0.00 N ATOM 0 H LYS A 24 16.186 -13.052 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 24 16.383 -15.863 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.036 -15.879 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.140 -14.586 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.505 -12.900 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.182 -14.049 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.349 -13.916 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.619 -15.103 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.328 -13.559 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.374 -12.207 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.704 -12.091 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.055 -12.302 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.979 -13.612 1.509 1.00 0.00 H new ATOM 364 N THR A 25 14.120 -16.843 -5.167 1.00 0.00 N ATOM 365 CA THR A 25 12.794 -17.427 -5.308 1.00 0.00 C ATOM 366 C THR A 25 12.220 -17.770 -3.939 1.00 0.00 C ATOM 367 O THR A 25 12.853 -17.525 -2.911 1.00 0.00 O ATOM 368 CB THR A 25 12.849 -18.675 -6.191 1.00 0.00 C ATOM 369 OG1 THR A 25 13.760 -19.624 -5.664 1.00 0.00 O ATOM 370 CG2 THR A 25 13.266 -18.378 -7.617 1.00 0.00 C ATOM 0 H THR A 25 14.885 -17.511 -5.257 1.00 0.00 H new ATOM 0 HA THR A 25 12.142 -16.696 -5.786 1.00 0.00 H new ATOM 0 HB THR A 25 11.833 -19.069 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.779 -20.415 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.285 -19.304 -8.191 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.554 -17.687 -8.068 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.259 -17.929 -7.620 1.00 0.00 H new ATOM 378 N ARG A 26 11.017 -18.324 -3.923 1.00 0.00 N ATOM 379 CA ARG A 26 10.362 -18.681 -2.673 1.00 0.00 C ATOM 380 C ARG A 26 11.193 -19.682 -1.869 1.00 0.00 C ATOM 381 O ARG A 26 11.116 -19.718 -0.641 1.00 0.00 O ATOM 382 CB ARG A 26 8.973 -19.258 -2.957 1.00 0.00 C ATOM 383 CG ARG A 26 8.082 -18.330 -3.769 1.00 0.00 C ATOM 384 CD ARG A 26 6.609 -18.631 -3.540 1.00 0.00 C ATOM 385 NE ARG A 26 5.779 -18.192 -4.660 1.00 0.00 N ATOM 386 CZ ARG A 26 5.365 -16.938 -4.832 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.698 -15.996 -3.958 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.617 -16.627 -5.882 1.00 0.00 N ATOM 0 H ARG A 26 10.475 -18.536 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 26 10.263 -17.775 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.083 -20.202 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.482 -19.483 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.289 -17.295 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.315 -18.435 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.477 -19.702 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.276 -18.138 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 26 5.500 -18.888 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.274 -16.231 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.378 -15.037 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.360 -17.348 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.299 -15.667 -6.015 1.00 0.00 H new ATOM 402 N ALA A 27 11.965 -20.513 -2.567 1.00 0.00 N ATOM 403 CA ALA A 27 12.782 -21.529 -1.909 1.00 0.00 C ATOM 404 C ALA A 27 14.125 -20.985 -1.416 1.00 0.00 C ATOM 405 O ALA A 27 15.008 -21.757 -1.040 1.00 0.00 O ATOM 406 CB ALA A 27 13.004 -22.703 -2.843 1.00 0.00 C ATOM 0 H ALA A 27 12.041 -20.503 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 27 12.232 -21.857 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.614 -23.455 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.042 -23.138 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.515 -22.361 -3.743 1.00 0.00 H new ATOM 412 N GLN A 28 14.292 -19.665 -1.438 1.00 0.00 N ATOM 413 CA GLN A 28 15.541 -19.036 -1.011 1.00 0.00 C ATOM 414 C GLN A 28 16.702 -19.369 -1.952 1.00 0.00 C ATOM 415 O GLN A 28 17.837 -19.561 -1.516 1.00 0.00 O ATOM 416 CB GLN A 28 15.900 -19.472 0.412 1.00 0.00 C ATOM 417 CG GLN A 28 14.746 -19.373 1.396 1.00 0.00 C ATOM 418 CD GLN A 28 14.778 -18.093 2.207 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.797 -17.747 2.805 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.656 -17.381 2.230 1.00 0.00 N ATOM 0 H GLN A 28 13.576 -19.008 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 28 15.381 -17.958 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.256 -20.502 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.725 -18.858 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.803 -19.430 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.776 -20.228 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.835 -17.706 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.616 -16.509 2.758 1.00 0.00 H new ATOM 429 N GLN A 29 16.406 -19.396 -3.248 1.00 0.00 N ATOM 430 CA GLN A 29 17.411 -19.656 -4.274 1.00 0.00 C ATOM 431 C GLN A 29 17.455 -18.469 -5.232 1.00 0.00 C ATOM 432 O GLN A 29 16.411 -17.987 -5.664 1.00 0.00 O ATOM 433 CB GLN A 29 17.096 -20.949 -5.033 1.00 0.00 C ATOM 434 CG GLN A 29 17.352 -22.210 -4.222 1.00 0.00 C ATOM 435 CD GLN A 29 18.823 -22.427 -3.922 1.00 0.00 C ATOM 436 OE1 GLN A 29 19.297 -22.127 -2.827 1.00 0.00 O ATOM 437 NE2 GLN A 29 19.552 -22.954 -4.899 1.00 0.00 N ATOM 0 H GLN A 29 15.468 -19.239 -3.616 1.00 0.00 H new ATOM 0 HA GLN A 29 18.385 -19.782 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.051 -20.933 -5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.698 -20.983 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.799 -22.152 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.966 -23.072 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.116 -23.187 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.547 -23.125 -4.757 1.00 0.00 H new ATOM 446 N PHE A 30 18.653 -17.978 -5.542 1.00 0.00 N ATOM 447 CA PHE A 30 18.788 -16.820 -6.428 1.00 0.00 C ATOM 448 C PHE A 30 18.921 -17.234 -7.890 1.00 0.00 C ATOM 449 O PHE A 30 19.780 -18.039 -8.247 1.00 0.00 O ATOM 450 CB PHE A 30 19.996 -15.977 -6.017 1.00 0.00 C ATOM 451 CG PHE A 30 19.872 -15.397 -4.638 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.051 -16.196 -3.520 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.568 -14.057 -4.458 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.931 -15.669 -2.249 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.445 -13.524 -3.189 1.00 0.00 C ATOM 456 CZ PHE A 30 19.628 -14.331 -2.083 1.00 0.00 C ATOM 0 H PHE A 30 19.535 -18.357 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 30 17.878 -16.228 -6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.894 -16.593 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.126 -15.167 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.287 -17.243 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.426 -13.422 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.074 -16.302 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.206 -12.478 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.534 -13.917 -1.090 1.00 0.00 H new ATOM 466 N VAL A 31 18.057 -16.667 -8.730 1.00 0.00 N ATOM 467 CA VAL A 31 18.062 -16.960 -10.156 1.00 0.00 C ATOM 468 C VAL A 31 18.035 -15.670 -10.975 1.00 0.00 C ATOM 469 O VAL A 31 17.532 -14.645 -10.515 1.00 0.00 O ATOM 470 CB VAL A 31 16.859 -17.835 -10.554 1.00 0.00 C ATOM 471 CG1 VAL A 31 17.107 -19.284 -10.171 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.585 -17.319 -9.905 1.00 0.00 C ATOM 0 H VAL A 31 17.342 -15.999 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 31 18.981 -17.506 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 31 16.736 -17.782 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.247 -19.889 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.996 -19.649 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.256 -19.355 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.746 -17.950 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.694 -17.341 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.400 -16.295 -10.230 1.00 0.00 H new ATOM 482 N SER A 32 18.601 -15.720 -12.176 1.00 0.00 N ATOM 483 CA SER A 32 18.662 -14.544 -13.043 1.00 0.00 C ATOM 484 C SER A 32 17.288 -14.175 -13.603 1.00 0.00 C ATOM 485 O SER A 32 16.539 -15.032 -14.073 1.00 0.00 O ATOM 486 CB SER A 32 19.638 -14.790 -14.194 1.00 0.00 C ATOM 487 OG SER A 32 20.978 -14.797 -13.734 1.00 0.00 O ATOM 0 H SER A 32 19.024 -16.559 -12.573 1.00 0.00 H new ATOM 0 HA SER A 32 19.011 -13.709 -12.436 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.409 -15.743 -14.671 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.514 -14.016 -14.951 1.00 0.00 H new ATOM 0 HG SER A 32 21.582 -14.958 -14.489 1.00 0.00 H new ATOM 493 N THR A 33 16.978 -12.881 -13.551 1.00 0.00 N ATOM 494 CA THR A 33 15.708 -12.354 -14.045 1.00 0.00 C ATOM 495 C THR A 33 15.923 -11.003 -14.721 1.00 0.00 C ATOM 496 O THR A 33 16.954 -10.359 -14.520 1.00 0.00 O ATOM 497 CB THR A 33 14.701 -12.215 -12.903 1.00 0.00 C ATOM 498 OG1 THR A 33 13.591 -11.430 -13.304 1.00 0.00 O ATOM 499 CG2 THR A 33 15.283 -11.577 -11.663 1.00 0.00 C ATOM 0 H THR A 33 17.599 -12.170 -13.166 1.00 0.00 H new ATOM 0 HA THR A 33 15.307 -13.056 -14.777 1.00 0.00 H new ATOM 0 HB THR A 33 14.401 -13.235 -12.662 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.056 -11.929 -13.957 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.514 -11.510 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.111 -12.183 -11.296 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.644 -10.577 -11.904 1.00 0.00 H new ATOM 507 N LYS A 34 14.961 -10.577 -15.532 1.00 0.00 N ATOM 508 CA LYS A 34 15.090 -9.310 -16.236 1.00 0.00 C ATOM 509 C LYS A 34 13.767 -8.557 -16.324 1.00 0.00 C ATOM 510 O LYS A 34 12.688 -9.149 -16.266 1.00 0.00 O ATOM 511 CB LYS A 34 15.626 -9.549 -17.649 1.00 0.00 C ATOM 512 CG LYS A 34 16.520 -8.430 -18.162 1.00 0.00 C ATOM 513 CD LYS A 34 15.792 -7.542 -19.160 1.00 0.00 C ATOM 514 CE LYS A 34 15.812 -8.139 -20.558 1.00 0.00 C ATOM 515 NZ LYS A 34 14.440 -8.285 -21.118 1.00 0.00 N ATOM 0 H LYS A 34 14.095 -11.084 -15.716 1.00 0.00 H new ATOM 0 HA LYS A 34 15.787 -8.697 -15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.186 -10.484 -17.662 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.785 -9.671 -18.331 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.866 -7.827 -17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.405 -8.858 -18.633 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.760 -7.402 -18.838 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.257 -6.556 -19.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.407 -7.505 -21.215 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.298 -9.114 -20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.496 -8.695 -22.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.879 -8.910 -20.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.985 -7.351 -21.169 1.00 0.00 H new ATOM 529 N ILE A 35 13.876 -7.241 -16.483 1.00 0.00 N ATOM 530 CA ILE A 35 12.718 -6.368 -16.602 1.00 0.00 C ATOM 531 C ILE A 35 12.992 -5.335 -17.689 1.00 0.00 C ATOM 532 O ILE A 35 14.012 -4.646 -17.652 1.00 0.00 O ATOM 533 CB ILE A 35 12.413 -5.670 -15.261 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.133 -4.838 -15.356 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.585 -4.807 -14.822 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.932 -5.526 -14.748 1.00 0.00 C ATOM 0 H ILE A 35 14.770 -6.753 -16.533 1.00 0.00 H new ATOM 0 HA ILE A 35 11.845 -6.963 -16.869 1.00 0.00 H new ATOM 0 HB ILE A 35 12.258 -6.442 -14.508 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.290 -3.883 -14.855 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.927 -4.618 -16.403 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.347 -4.325 -13.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.470 -5.431 -14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.779 -4.046 -15.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.056 -4.885 -14.847 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.752 -6.468 -15.265 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.121 -5.722 -13.692 1.00 0.00 H new ATOM 548 N ASN A 36 12.106 -5.247 -18.679 1.00 0.00 N ATOM 549 CA ASN A 36 12.295 -4.321 -19.793 1.00 0.00 C ATOM 550 C ASN A 36 11.725 -2.943 -19.468 1.00 0.00 C ATOM 551 O ASN A 36 10.517 -2.790 -19.289 1.00 0.00 O ATOM 552 CB ASN A 36 11.602 -4.885 -21.034 1.00 0.00 C ATOM 553 CG ASN A 36 12.147 -4.309 -22.325 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.240 -4.666 -22.762 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.383 -3.423 -22.950 1.00 0.00 N ATOM 0 H ASN A 36 11.253 -5.804 -18.732 1.00 0.00 H new ATOM 0 HA ASN A 36 13.364 -4.209 -19.976 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.718 -5.969 -21.048 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.533 -4.679 -20.973 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.696 -3.010 -23.829 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.483 -3.155 -22.552 1.00 0.00 H new ATOM 562 N LEU A 37 12.594 -1.941 -19.404 1.00 0.00 N ATOM 563 CA LEU A 37 12.160 -0.580 -19.106 1.00 0.00 C ATOM 564 C LEU A 37 11.746 0.164 -20.376 1.00 0.00 C ATOM 565 O LEU A 37 11.106 1.213 -20.301 1.00 0.00 O ATOM 566 CB LEU A 37 13.264 0.188 -18.374 1.00 0.00 C ATOM 567 CG LEU A 37 13.794 -0.497 -17.111 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.886 -1.496 -17.462 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.314 0.535 -16.121 1.00 0.00 C ATOM 0 H LEU A 37 13.598 -2.043 -19.553 1.00 0.00 H new ATOM 0 HA LEU A 37 11.287 -0.645 -18.456 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.095 0.345 -19.061 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.884 1.173 -18.104 1.00 0.00 H new ATOM 0 HG LEU A 37 12.971 -1.038 -16.644 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.250 -1.972 -16.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.483 -2.255 -18.132 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.709 -0.978 -17.954 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.686 0.029 -15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.123 1.104 -16.580 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.506 1.212 -15.843 1.00 0.00 H new ATOM 581 N ASP A 38 12.137 -0.356 -21.543 1.00 0.00 N ATOM 582 CA ASP A 38 11.812 0.300 -22.810 1.00 0.00 C ATOM 583 C ASP A 38 10.306 0.537 -22.948 1.00 0.00 C ATOM 584 O ASP A 38 9.875 1.622 -23.336 1.00 0.00 O ATOM 585 CB ASP A 38 12.285 -0.522 -24.020 1.00 0.00 C ATOM 586 CG ASP A 38 13.572 -1.291 -23.780 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.670 -1.985 -22.747 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.478 -1.209 -24.637 1.00 0.00 O ATOM 0 H ASP A 38 12.673 -1.219 -21.636 1.00 0.00 H new ATOM 0 HA ASP A 38 12.336 1.256 -22.797 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.500 -1.225 -24.297 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.427 0.148 -24.868 1.00 0.00 H new ATOM 593 N ASP A 39 9.502 -0.477 -22.635 1.00 0.00 N ATOM 594 CA ASP A 39 8.046 -0.350 -22.736 1.00 0.00 C ATOM 595 C ASP A 39 7.411 0.097 -21.421 1.00 0.00 C ATOM 596 O ASP A 39 6.229 0.437 -21.387 1.00 0.00 O ATOM 597 CB ASP A 39 7.401 -1.654 -23.205 1.00 0.00 C ATOM 598 CG ASP A 39 7.996 -2.880 -22.542 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.701 -3.112 -21.350 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.754 -3.610 -23.214 1.00 0.00 O ATOM 0 H ASP A 39 9.828 -1.388 -22.312 1.00 0.00 H new ATOM 0 HA ASP A 39 7.859 0.424 -23.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.331 -1.619 -22.998 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.514 -1.741 -24.286 1.00 0.00 H new ATOM 605 N HIS A 40 8.187 0.102 -20.339 1.00 0.00 N ATOM 606 CA HIS A 40 7.670 0.521 -19.038 1.00 0.00 C ATOM 607 C HIS A 40 8.047 1.973 -18.784 1.00 0.00 C ATOM 608 O HIS A 40 7.185 2.850 -18.733 1.00 0.00 O ATOM 609 CB HIS A 40 8.222 -0.377 -17.926 1.00 0.00 C ATOM 610 CG HIS A 40 7.433 -1.638 -17.734 1.00 0.00 C ATOM 611 ND1 HIS A 40 6.075 -1.649 -17.485 1.00 0.00 N ATOM 612 CD2 HIS A 40 7.816 -2.939 -17.772 1.00 0.00 C ATOM 613 CE1 HIS A 40 5.659 -2.898 -17.376 1.00 0.00 C ATOM 614 NE2 HIS A 40 6.695 -3.700 -17.547 1.00 0.00 N ATOM 0 H HIS A 40 9.168 -0.177 -20.336 1.00 0.00 H new ATOM 0 HA HIS A 40 6.584 0.429 -19.041 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.256 -0.635 -18.157 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.234 0.182 -16.990 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.816 -3.308 -17.947 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.644 -3.211 -17.180 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.667 -4.719 -17.517 1.00 0.00 H new ATOM 623 N ILE A 41 9.345 2.221 -18.646 1.00 0.00 N ATOM 624 CA ILE A 41 9.845 3.569 -18.426 1.00 0.00 C ATOM 625 C ILE A 41 9.908 4.334 -19.749 1.00 0.00 C ATOM 626 O ILE A 41 10.101 3.745 -20.811 1.00 0.00 O ATOM 627 CB ILE A 41 11.240 3.556 -17.754 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.140 2.987 -16.336 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.837 4.957 -17.716 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.745 1.527 -16.292 1.00 0.00 C ATOM 0 H ILE A 41 10.069 1.504 -18.683 1.00 0.00 H new ATOM 0 HA ILE A 41 9.152 4.073 -17.752 1.00 0.00 H new ATOM 0 HB ILE A 41 11.897 2.919 -18.346 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.101 3.109 -15.837 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.411 3.568 -15.771 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.817 4.922 -17.239 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.941 5.336 -18.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.181 5.617 -17.149 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.695 1.195 -15.255 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.770 1.400 -16.762 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.486 0.933 -16.828 1.00 0.00 H new ATOM 642 N ALA A 42 9.722 5.645 -19.668 1.00 0.00 N ATOM 643 CA ALA A 42 9.741 6.502 -20.857 1.00 0.00 C ATOM 644 C ALA A 42 10.428 7.838 -20.586 1.00 0.00 C ATOM 645 O ALA A 42 10.794 8.148 -19.451 1.00 0.00 O ATOM 646 CB ALA A 42 8.326 6.730 -21.365 1.00 0.00 C ATOM 0 H ALA A 42 9.556 6.143 -18.793 1.00 0.00 H new ATOM 0 HA ALA A 42 10.319 5.986 -21.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.355 7.368 -22.248 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.874 5.773 -21.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.734 7.213 -20.588 1.00 0.00 H new ATOM 652 N ASN A 43 10.622 8.612 -21.652 1.00 0.00 N ATOM 653 CA ASN A 43 11.284 9.910 -21.562 1.00 0.00 C ATOM 654 C ASN A 43 10.310 11.050 -21.862 1.00 0.00 C ATOM 655 O ASN A 43 9.857 11.206 -22.995 1.00 0.00 O ATOM 656 CB ASN A 43 12.454 9.952 -22.548 1.00 0.00 C ATOM 657 CG ASN A 43 13.169 11.288 -22.557 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.945 11.594 -21.652 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.909 12.090 -23.584 1.00 0.00 N ATOM 0 H ASN A 43 10.327 8.359 -22.595 1.00 0.00 H new ATOM 0 HA ASN A 43 11.652 10.041 -20.544 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.165 9.166 -22.294 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.086 9.736 -23.551 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.360 13.003 -23.645 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.258 11.793 -24.311 1.00 0.00 H new ATOM 666 N ILE A 44 10.003 11.851 -20.844 1.00 0.00 N ATOM 667 CA ILE A 44 9.094 12.984 -21.005 1.00 0.00 C ATOM 668 C ILE A 44 9.845 14.309 -20.855 1.00 0.00 C ATOM 669 O ILE A 44 10.021 14.813 -19.746 1.00 0.00 O ATOM 670 CB ILE A 44 7.923 12.919 -19.995 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.013 11.731 -20.317 1.00 0.00 C ATOM 672 CG2 ILE A 44 7.120 14.212 -20.009 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.666 10.387 -20.092 1.00 0.00 C ATOM 0 H ILE A 44 10.370 11.737 -19.899 1.00 0.00 H new ATOM 0 HA ILE A 44 8.678 12.927 -22.011 1.00 0.00 H new ATOM 0 HB ILE A 44 8.341 12.787 -18.997 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.115 11.796 -19.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.694 11.800 -21.357 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.303 14.141 -19.291 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.768 15.046 -19.740 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.713 14.377 -21.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.961 9.594 -20.341 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.548 10.301 -20.726 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.960 10.296 -19.046 1.00 0.00 H new ATOM 685 N ASP A 45 10.290 14.861 -21.984 1.00 0.00 N ATOM 686 CA ASP A 45 11.029 16.124 -21.994 1.00 0.00 C ATOM 687 C ASP A 45 12.368 15.986 -21.274 1.00 0.00 C ATOM 688 O ASP A 45 12.796 16.892 -20.558 1.00 0.00 O ATOM 689 CB ASP A 45 10.201 17.239 -21.350 1.00 0.00 C ATOM 690 CG ASP A 45 10.763 18.616 -21.648 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.962 18.707 -21.988 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.005 19.604 -21.541 1.00 0.00 O ATOM 0 H ASP A 45 10.151 14.451 -22.908 1.00 0.00 H new ATOM 0 HA ASP A 45 11.224 16.384 -23.034 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.174 17.182 -21.711 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.168 17.088 -20.271 1.00 0.00 H new ATOM 697 N GLY A 46 13.032 14.853 -21.475 1.00 0.00 N ATOM 698 CA GLY A 46 14.319 14.630 -20.843 1.00 0.00 C ATOM 699 C GLY A 46 14.203 14.119 -19.419 1.00 0.00 C ATOM 700 O GLY A 46 15.216 13.915 -18.749 1.00 0.00 O ATOM 0 H GLY A 46 12.703 14.087 -22.063 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.888 13.913 -21.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.883 15.562 -20.843 1.00 0.00 H new ATOM 704 N THR A 47 12.976 13.906 -18.947 1.00 0.00 N ATOM 705 CA THR A 47 12.760 13.413 -17.591 1.00 0.00 C ATOM 706 C THR A 47 12.185 11.998 -17.608 1.00 0.00 C ATOM 707 O THR A 47 11.318 11.675 -18.423 1.00 0.00 O ATOM 708 CB THR A 47 11.820 14.351 -16.830 1.00 0.00 C ATOM 709 OG1 THR A 47 12.252 15.696 -16.951 1.00 0.00 O ATOM 710 CG2 THR A 47 11.721 14.034 -15.354 1.00 0.00 C ATOM 0 H THR A 47 12.122 14.066 -19.481 1.00 0.00 H new ATOM 0 HA THR A 47 13.724 13.385 -17.084 1.00 0.00 H new ATOM 0 HB THR A 47 10.839 14.206 -17.282 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.639 16.282 -16.460 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.039 14.737 -14.876 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.346 13.019 -15.224 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.707 14.118 -14.897 1.00 0.00 H new ATOM 718 N LEU A 48 12.708 11.150 -16.730 1.00 0.00 N ATOM 719 CA LEU A 48 12.287 9.752 -16.666 1.00 0.00 C ATOM 720 C LEU A 48 10.946 9.582 -15.956 1.00 0.00 C ATOM 721 O LEU A 48 10.799 9.902 -14.776 1.00 0.00 O ATOM 722 CB LEU A 48 13.345 8.916 -15.947 1.00 0.00 C ATOM 723 CG LEU A 48 14.618 8.640 -16.750 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.699 8.060 -15.849 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.323 7.696 -17.907 1.00 0.00 C ATOM 0 H LEU A 48 13.425 11.405 -16.051 1.00 0.00 H new ATOM 0 HA LEU A 48 12.169 9.408 -17.694 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.621 9.425 -15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.900 7.962 -15.664 1.00 0.00 H new ATOM 0 HG LEU A 48 14.980 9.583 -17.160 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.598 7.869 -16.435 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.928 8.769 -15.053 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.346 7.126 -15.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.239 7.510 -18.468 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.938 6.753 -17.518 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.580 8.148 -18.565 1.00 0.00 H new ATOM 737 N LYS A 49 9.979 9.058 -16.708 1.00 0.00 N ATOM 738 CA LYS A 49 8.630 8.810 -16.209 1.00 0.00 C ATOM 739 C LYS A 49 8.110 7.476 -16.742 1.00 0.00 C ATOM 740 O LYS A 49 8.654 6.932 -17.701 1.00 0.00 O ATOM 741 CB LYS A 49 7.686 9.941 -16.614 1.00 0.00 C ATOM 742 CG LYS A 49 8.249 11.325 -16.343 1.00 0.00 C ATOM 743 CD LYS A 49 7.149 12.319 -16.007 1.00 0.00 C ATOM 744 CE LYS A 49 7.706 13.722 -15.826 1.00 0.00 C ATOM 745 NZ LYS A 49 6.735 14.624 -15.146 1.00 0.00 N ATOM 0 H LYS A 49 10.111 8.793 -17.684 1.00 0.00 H new ATOM 0 HA LYS A 49 8.669 8.768 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.459 9.851 -17.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.745 9.828 -16.076 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.959 11.275 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.800 11.672 -17.217 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.403 12.322 -16.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.641 12.007 -15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.626 13.675 -15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.966 14.137 -16.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.154 15.570 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.866 14.690 -15.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.506 14.242 -14.206 1.00 0.00 H new ATOM 759 N TRP A 50 7.059 6.949 -16.123 1.00 0.00 N ATOM 760 CA TRP A 50 6.487 5.672 -16.552 1.00 0.00 C ATOM 761 C TRP A 50 5.446 5.863 -17.660 1.00 0.00 C ATOM 762 O TRP A 50 4.459 6.577 -17.484 1.00 0.00 O ATOM 763 CB TRP A 50 5.871 4.946 -15.353 1.00 0.00 C ATOM 764 CG TRP A 50 6.913 4.322 -14.478 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.604 3.171 -14.725 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.403 4.825 -13.230 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.498 2.933 -13.713 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.391 3.931 -12.782 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.106 5.944 -12.450 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.081 4.121 -11.591 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.794 6.129 -11.266 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.772 5.222 -10.848 1.00 0.00 C ATOM 0 H TRP A 50 6.587 7.380 -15.328 1.00 0.00 H new ATOM 0 HA TRP A 50 7.292 5.063 -16.963 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.280 5.650 -14.767 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.187 4.175 -15.708 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.467 2.540 -15.591 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.139 2.141 -13.662 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.353 6.651 -12.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.836 3.421 -11.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.572 6.990 -10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.293 5.397 -9.918 1.00 0.00 H new ATOM 783 N GLN A 51 5.685 5.222 -18.805 1.00 0.00 N ATOM 784 CA GLN A 51 4.784 5.318 -19.957 1.00 0.00 C ATOM 785 C GLN A 51 5.262 4.384 -21.072 1.00 0.00 C ATOM 786 O GLN A 51 6.465 4.187 -21.239 1.00 0.00 O ATOM 787 CB GLN A 51 4.733 6.770 -20.454 1.00 0.00 C ATOM 788 CG GLN A 51 3.941 6.967 -21.737 1.00 0.00 C ATOM 789 CD GLN A 51 4.221 8.306 -22.392 1.00 0.00 C ATOM 790 OE1 GLN A 51 5.375 8.666 -22.625 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.164 9.054 -22.687 1.00 0.00 N ATOM 0 H GLN A 51 6.499 4.628 -18.961 1.00 0.00 H new ATOM 0 HA GLN A 51 3.781 5.015 -19.658 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.297 7.393 -19.673 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.752 7.123 -20.612 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.183 6.166 -22.436 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.876 6.889 -21.519 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.225 8.716 -22.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.291 9.967 -23.124 1.00 0.00 H new ATOM 800 N PRO A 52 4.335 3.777 -21.844 1.00 0.00 N ATOM 801 CA PRO A 52 4.699 2.849 -22.924 1.00 0.00 C ATOM 802 C PRO A 52 5.461 3.529 -24.055 1.00 0.00 C ATOM 803 O PRO A 52 4.948 3.704 -25.161 1.00 0.00 O ATOM 804 CB PRO A 52 3.356 2.308 -23.415 1.00 0.00 C ATOM 805 CG PRO A 52 2.361 3.340 -23.009 1.00 0.00 C ATOM 806 CD PRO A 52 2.873 3.925 -21.720 1.00 0.00 C ATOM 0 HA PRO A 52 5.373 2.069 -22.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.358 2.164 -24.495 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.130 1.341 -22.965 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.262 4.109 -23.775 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.374 2.898 -22.872 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.582 4.969 -21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.486 3.390 -20.853 1.00 0.00 H new ATOM 814 N SER A 53 6.701 3.888 -23.755 1.00 0.00 N ATOM 815 CA SER A 53 7.600 4.533 -24.703 1.00 0.00 C ATOM 816 C SER A 53 9.028 4.402 -24.181 1.00 0.00 C ATOM 817 O SER A 53 9.275 4.612 -22.996 1.00 0.00 O ATOM 818 CB SER A 53 7.222 6.005 -24.893 1.00 0.00 C ATOM 819 OG SER A 53 6.845 6.600 -23.664 1.00 0.00 O ATOM 0 H SER A 53 7.117 3.738 -22.836 1.00 0.00 H new ATOM 0 HA SER A 53 7.519 4.048 -25.676 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.066 6.548 -25.319 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.400 6.083 -25.605 1.00 0.00 H new ATOM 0 HG SER A 53 6.269 7.373 -23.838 1.00 0.00 H new ATOM 825 N ASN A 54 9.958 4.006 -25.043 1.00 0.00 N ATOM 826 CA ASN A 54 11.348 3.803 -24.616 1.00 0.00 C ATOM 827 C ASN A 54 12.132 5.108 -24.546 1.00 0.00 C ATOM 828 O ASN A 54 12.423 5.734 -25.566 1.00 0.00 O ATOM 829 CB ASN A 54 12.076 2.822 -25.545 1.00 0.00 C ATOM 830 CG ASN A 54 11.151 1.821 -26.219 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.020 1.602 -25.784 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.636 1.205 -27.289 1.00 0.00 N ATOM 0 H ASN A 54 9.784 3.820 -26.031 1.00 0.00 H new ATOM 0 HA ASN A 54 11.298 3.383 -23.611 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.607 3.387 -26.311 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.827 2.280 -24.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.066 0.520 -27.785 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.579 1.417 -27.616 1.00 0.00 H new ATOM 839 N PHE A 55 12.491 5.495 -23.324 1.00 0.00 N ATOM 840 CA PHE A 55 13.266 6.706 -23.088 1.00 0.00 C ATOM 841 C PHE A 55 14.521 6.733 -23.966 1.00 0.00 C ATOM 842 O PHE A 55 14.997 7.798 -24.358 1.00 0.00 O ATOM 843 CB PHE A 55 13.643 6.804 -21.604 1.00 0.00 C ATOM 844 CG PHE A 55 14.412 5.617 -21.086 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.797 5.593 -21.144 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.750 4.526 -20.542 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.506 4.504 -20.672 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.454 3.435 -20.069 1.00 0.00 C ATOM 849 CZ PHE A 55 15.833 3.424 -20.134 1.00 0.00 C ATOM 0 H PHE A 55 12.254 4.980 -22.476 1.00 0.00 H new ATOM 0 HA PHE A 55 12.654 7.567 -23.355 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.238 7.704 -21.450 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.733 6.919 -21.016 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.328 6.435 -21.563 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.671 4.529 -20.487 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.585 4.498 -20.724 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.926 2.592 -19.649 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.385 2.572 -19.765 1.00 0.00 H new ATOM 859 N SER A 56 15.046 5.547 -24.271 1.00 0.00 N ATOM 860 CA SER A 56 16.252 5.413 -25.089 1.00 0.00 C ATOM 861 C SER A 56 16.166 6.206 -26.395 1.00 0.00 C ATOM 862 O SER A 56 17.187 6.457 -27.037 1.00 0.00 O ATOM 863 CB SER A 56 16.526 3.941 -25.399 1.00 0.00 C ATOM 864 OG SER A 56 15.329 3.249 -25.703 1.00 0.00 O ATOM 0 H SER A 56 14.652 4.659 -23.961 1.00 0.00 H new ATOM 0 HA SER A 56 17.074 5.827 -24.506 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.216 3.866 -26.240 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.013 3.472 -24.544 1.00 0.00 H new ATOM 0 HG SER A 56 15.228 2.488 -25.094 1.00 0.00 H new ATOM 870 N GLN A 57 14.956 6.596 -26.793 1.00 0.00 N ATOM 871 CA GLN A 57 14.777 7.348 -28.031 1.00 0.00 C ATOM 872 C GLN A 57 15.510 8.685 -27.959 1.00 0.00 C ATOM 873 O GLN A 57 15.960 9.208 -28.978 1.00 0.00 O ATOM 874 CB GLN A 57 13.288 7.588 -28.309 1.00 0.00 C ATOM 875 CG GLN A 57 12.502 6.320 -28.608 1.00 0.00 C ATOM 876 CD GLN A 57 11.003 6.560 -28.654 1.00 0.00 C ATOM 877 OE1 GLN A 57 10.314 6.442 -27.641 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.489 6.902 -29.830 1.00 0.00 N ATOM 0 H GLN A 57 14.094 6.406 -26.282 1.00 0.00 H new ATOM 0 HA GLN A 57 15.197 6.758 -28.846 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.843 8.084 -27.446 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.192 8.270 -29.154 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.830 5.910 -29.563 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.723 5.572 -27.847 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.095 6.989 -30.646 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.488 7.078 -29.917 1.00 0.00 H new ATOM 887 N THR A 58 15.639 9.229 -26.750 1.00 0.00 N ATOM 888 CA THR A 58 16.330 10.504 -26.559 1.00 0.00 C ATOM 889 C THR A 58 17.394 10.411 -25.465 1.00 0.00 C ATOM 890 O THR A 58 18.043 11.406 -25.145 1.00 0.00 O ATOM 891 CB THR A 58 15.343 11.609 -26.174 1.00 0.00 C ATOM 892 OG1 THR A 58 15.039 11.542 -24.793 1.00 0.00 O ATOM 893 CG2 THR A 58 14.032 11.552 -26.922 1.00 0.00 C ATOM 0 H THR A 58 15.277 8.811 -25.893 1.00 0.00 H new ATOM 0 HA THR A 58 16.808 10.743 -27.509 1.00 0.00 H new ATOM 0 HB THR A 58 15.848 12.539 -26.438 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.226 12.408 -24.375 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.389 12.368 -26.592 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.219 11.647 -27.992 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.541 10.600 -26.723 1.00 0.00 H new ATOM 901 N CYS A 59 17.555 9.234 -24.867 1.00 0.00 N ATOM 902 CA CYS A 59 18.526 9.067 -23.793 1.00 0.00 C ATOM 903 C CYS A 59 19.687 8.167 -24.205 1.00 0.00 C ATOM 904 O CYS A 59 19.527 7.252 -25.014 1.00 0.00 O ATOM 905 CB CYS A 59 17.840 8.500 -22.545 1.00 0.00 C ATOM 906 SG CYS A 59 16.236 9.275 -22.164 1.00 0.00 S ATOM 0 H CYS A 59 17.032 8.391 -25.105 1.00 0.00 H new ATOM 0 HA CYS A 59 18.937 10.051 -23.569 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.691 7.429 -22.680 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.504 8.624 -21.690 1.00 0.00 H new ATOM 911 N TYR A 60 20.863 8.455 -23.649 1.00 0.00 N ATOM 912 CA TYR A 60 22.076 7.693 -23.942 1.00 0.00 C ATOM 913 C TYR A 60 22.913 7.528 -22.679 1.00 0.00 C ATOM 914 O TYR A 60 22.771 8.295 -21.724 1.00 0.00 O ATOM 915 CB TYR A 60 22.905 8.388 -25.027 1.00 0.00 C ATOM 916 CG TYR A 60 23.333 9.795 -24.663 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.448 10.860 -24.772 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.620 10.057 -24.212 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.833 12.144 -24.443 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.013 11.339 -23.880 1.00 0.00 C ATOM 921 CZ TYR A 60 24.116 12.379 -23.998 1.00 0.00 C ATOM 922 OH TYR A 60 24.503 13.658 -23.668 1.00 0.00 O ATOM 0 H TYR A 60 21.002 9.218 -22.987 1.00 0.00 H new ATOM 0 HA TYR A 60 21.780 6.709 -24.306 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.793 7.790 -25.232 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.324 8.422 -25.949 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.442 10.680 -25.120 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.326 9.245 -24.119 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.132 12.961 -24.534 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.018 11.525 -23.530 1.00 0.00 H new ATOM 0 HH TYR A 60 24.181 14.284 -24.350 1.00 0.00 H new ATOM 932 N ASN A 61 23.764 6.507 -22.669 1.00 0.00 N ATOM 933 CA ASN A 61 24.608 6.228 -21.514 1.00 0.00 C ATOM 934 C ASN A 61 23.753 5.871 -20.303 1.00 0.00 C ATOM 935 O ASN A 61 23.984 6.357 -19.196 1.00 0.00 O ATOM 936 CB ASN A 61 25.499 7.433 -21.201 1.00 0.00 C ATOM 937 CG ASN A 61 26.687 7.525 -22.138 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.581 7.222 -23.327 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.829 7.941 -21.606 1.00 0.00 N ATOM 0 H ASN A 61 23.887 5.860 -23.448 1.00 0.00 H new ATOM 0 HA ASN A 61 25.246 5.376 -21.750 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.910 8.347 -21.273 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.854 7.363 -20.173 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.663 8.020 -22.187 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.872 8.182 -20.616 1.00 0.00 H new ATOM 946 N SER A 62 22.757 5.019 -20.529 1.00 0.00 N ATOM 947 CA SER A 62 21.859 4.583 -19.468 1.00 0.00 C ATOM 948 C SER A 62 22.597 3.702 -18.467 1.00 0.00 C ATOM 949 O SER A 62 23.380 2.832 -18.848 1.00 0.00 O ATOM 950 CB SER A 62 20.675 3.821 -20.066 1.00 0.00 C ATOM 951 OG SER A 62 19.855 4.678 -20.843 1.00 0.00 O ATOM 0 H SER A 62 22.552 4.616 -21.443 1.00 0.00 H new ATOM 0 HA SER A 62 21.489 5.464 -18.944 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.041 3.003 -20.686 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.084 3.375 -19.266 1.00 0.00 H new ATOM 0 HG SER A 62 19.375 4.151 -21.516 1.00 0.00 H new ATOM 957 N ALA A 63 22.341 3.934 -17.185 1.00 0.00 N ATOM 958 CA ALA A 63 22.983 3.162 -16.126 1.00 0.00 C ATOM 959 C ALA A 63 22.039 2.910 -14.957 1.00 0.00 C ATOM 960 O ALA A 63 21.126 3.693 -14.701 1.00 0.00 O ATOM 961 CB ALA A 63 24.232 3.879 -15.641 1.00 0.00 C ATOM 0 H ALA A 63 21.694 4.649 -16.853 1.00 0.00 H new ATOM 0 HA ALA A 63 23.258 2.194 -16.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.703 3.295 -14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.929 3.997 -16.471 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.960 4.861 -15.253 1.00 0.00 H new ATOM 967 N ILE A 64 22.270 1.815 -14.241 1.00 0.00 N ATOM 968 CA ILE A 64 21.442 1.475 -13.095 1.00 0.00 C ATOM 969 C ILE A 64 22.287 1.136 -11.872 1.00 0.00 C ATOM 970 O ILE A 64 23.320 0.472 -11.971 1.00 0.00 O ATOM 971 CB ILE A 64 20.487 0.311 -13.414 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.427 0.791 -14.400 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.827 -0.215 -12.146 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.450 -0.280 -14.806 1.00 0.00 C ATOM 0 H ILE A 64 23.021 1.152 -14.434 1.00 0.00 H new ATOM 0 HA ILE A 64 20.846 2.358 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 64 21.058 -0.505 -13.856 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.879 1.621 -13.955 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.921 1.177 -15.292 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.157 -1.037 -12.399 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.594 -0.570 -11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.257 0.585 -11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.726 0.135 -15.508 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.987 -1.101 -15.281 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.928 -0.650 -13.923 1.00 0.00 H new ATOM 986 N GLN A 65 21.817 1.588 -10.720 1.00 0.00 N ATOM 987 CA GLN A 65 22.483 1.342 -9.451 1.00 0.00 C ATOM 988 C GLN A 65 21.430 0.993 -8.408 1.00 0.00 C ATOM 989 O GLN A 65 20.637 1.844 -8.005 1.00 0.00 O ATOM 990 CB GLN A 65 23.286 2.573 -9.014 1.00 0.00 C ATOM 991 CG GLN A 65 24.159 3.156 -10.116 1.00 0.00 C ATOM 992 CD GLN A 65 25.238 4.076 -9.581 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.597 4.015 -8.405 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.757 4.941 -10.445 1.00 0.00 N ATOM 0 H GLN A 65 20.961 2.137 -10.639 1.00 0.00 H new ATOM 0 HA GLN A 65 23.182 0.513 -9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.596 3.341 -8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.917 2.303 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.624 2.343 -10.674 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.532 3.707 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.429 4.956 -11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.484 5.590 -10.143 1.00 0.00 H new ATOM 1003 N GLY A 66 21.407 -0.268 -7.994 1.00 0.00 N ATOM 1004 CA GLY A 66 20.422 -0.704 -7.023 1.00 0.00 C ATOM 1005 C GLY A 66 19.022 -0.708 -7.608 1.00 0.00 C ATOM 1006 O GLY A 66 18.766 -1.384 -8.604 1.00 0.00 O ATOM 0 H GLY A 66 22.050 -0.994 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.674 -1.705 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.452 -0.047 -6.154 1.00 0.00 H new ATOM 1010 N SER A 67 18.108 0.031 -6.990 1.00 0.00 N ATOM 1011 CA SER A 67 16.732 0.083 -7.468 1.00 0.00 C ATOM 1012 C SER A 67 16.444 1.364 -8.254 1.00 0.00 C ATOM 1013 O SER A 67 15.344 1.535 -8.779 1.00 0.00 O ATOM 1014 CB SER A 67 15.763 -0.030 -6.290 1.00 0.00 C ATOM 1015 OG SER A 67 15.624 1.212 -5.623 1.00 0.00 O ATOM 0 H SER A 67 18.293 0.599 -6.163 1.00 0.00 H new ATOM 0 HA SER A 67 16.590 -0.760 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.789 -0.366 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.123 -0.784 -5.590 1.00 0.00 H new ATOM 0 HG SER A 67 14.940 1.750 -6.073 1.00 0.00 H new ATOM 1021 N VAL A 68 17.430 2.258 -8.346 1.00 0.00 N ATOM 1022 CA VAL A 68 17.250 3.511 -9.081 1.00 0.00 C ATOM 1023 C VAL A 68 17.920 3.463 -10.457 1.00 0.00 C ATOM 1024 O VAL A 68 19.038 2.968 -10.600 1.00 0.00 O ATOM 1025 CB VAL A 68 17.800 4.720 -8.298 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.304 6.018 -8.918 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.399 4.641 -6.832 1.00 0.00 C ATOM 0 H VAL A 68 18.352 2.140 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 68 16.175 3.632 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 68 18.888 4.700 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.699 6.864 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.642 6.080 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.215 6.041 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.798 5.504 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.312 4.635 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.800 3.727 -6.394 1.00 0.00 H new ATOM 1037 N LEU A 69 17.222 3.977 -11.468 1.00 0.00 N ATOM 1038 CA LEU A 69 17.738 3.997 -12.833 1.00 0.00 C ATOM 1039 C LEU A 69 18.281 5.385 -13.176 1.00 0.00 C ATOM 1040 O LEU A 69 17.573 6.387 -13.061 1.00 0.00 O ATOM 1041 CB LEU A 69 16.624 3.583 -13.810 1.00 0.00 C ATOM 1042 CG LEU A 69 16.827 3.969 -15.281 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.179 3.494 -15.787 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.707 3.394 -16.137 1.00 0.00 C ATOM 0 H LEU A 69 16.294 4.387 -11.365 1.00 0.00 H new ATOM 0 HA LEU A 69 18.560 3.286 -12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.506 2.501 -13.754 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.688 4.024 -13.467 1.00 0.00 H new ATOM 0 HG LEU A 69 16.802 5.056 -15.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.297 3.780 -16.832 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.971 3.951 -15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.240 2.409 -15.699 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.864 3.676 -17.178 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.705 2.307 -16.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.749 3.787 -15.795 1.00 0.00 H new ATOM 1056 N THR A 70 19.546 5.442 -13.587 1.00 0.00 N ATOM 1057 CA THR A 70 20.184 6.706 -13.940 1.00 0.00 C ATOM 1058 C THR A 70 20.516 6.728 -15.427 1.00 0.00 C ATOM 1059 O THR A 70 21.171 5.821 -15.933 1.00 0.00 O ATOM 1060 CB THR A 70 21.467 6.894 -13.124 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.281 6.465 -11.787 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.956 8.327 -13.085 1.00 0.00 C ATOM 0 H THR A 70 20.149 4.625 -13.684 1.00 0.00 H new ATOM 0 HA THR A 70 19.494 7.520 -13.715 1.00 0.00 H new ATOM 0 HB THR A 70 22.218 6.289 -13.632 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.112 6.592 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.867 8.384 -12.490 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.163 8.669 -14.099 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.190 8.961 -12.638 1.00 0.00 H new ATOM 1070 N SER A 71 20.049 7.750 -16.133 1.00 0.00 N ATOM 1071 CA SER A 71 20.297 7.850 -17.570 1.00 0.00 C ATOM 1072 C SER A 71 20.321 9.304 -18.040 1.00 0.00 C ATOM 1073 O SER A 71 19.689 10.172 -17.437 1.00 0.00 O ATOM 1074 CB SER A 71 19.239 7.064 -18.343 1.00 0.00 C ATOM 1075 OG SER A 71 19.167 7.492 -19.691 1.00 0.00 O ATOM 0 H SER A 71 19.501 8.516 -15.741 1.00 0.00 H new ATOM 0 HA SER A 71 21.280 7.422 -17.767 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.475 6.000 -18.308 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.267 7.191 -17.866 1.00 0.00 H new ATOM 0 HG SER A 71 19.375 6.740 -20.284 1.00 0.00 H new ATOM 1081 N THR A 72 21.042 9.563 -19.132 1.00 0.00 N ATOM 1082 CA THR A 72 21.122 10.906 -19.690 1.00 0.00 C ATOM 1083 C THR A 72 20.073 11.072 -20.788 1.00 0.00 C ATOM 1084 O THR A 72 20.008 10.266 -21.716 1.00 0.00 O ATOM 1085 CB THR A 72 22.521 11.158 -20.260 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.517 10.609 -19.415 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.838 12.625 -20.451 1.00 0.00 C ATOM 0 H THR A 72 21.576 8.860 -19.643 1.00 0.00 H new ATOM 0 HA THR A 72 20.930 11.631 -18.899 1.00 0.00 H new ATOM 0 HB THR A 72 22.522 10.674 -21.237 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.402 10.780 -19.799 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.844 12.730 -20.857 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.120 13.066 -21.142 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.779 13.138 -19.491 1.00 0.00 H new ATOM 1095 N CYS A 73 19.237 12.101 -20.677 1.00 0.00 N ATOM 1096 CA CYS A 73 18.185 12.317 -21.665 1.00 0.00 C ATOM 1097 C CYS A 73 18.195 13.729 -22.234 1.00 0.00 C ATOM 1098 O CYS A 73 18.455 14.700 -21.526 1.00 0.00 O ATOM 1099 CB CYS A 73 16.817 12.035 -21.043 1.00 0.00 C ATOM 1100 SG CYS A 73 16.598 10.322 -20.462 1.00 0.00 S ATOM 0 H CYS A 73 19.266 12.789 -19.924 1.00 0.00 H new ATOM 0 HA CYS A 73 18.379 11.628 -22.487 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.666 12.713 -20.203 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.043 12.259 -21.778 1.00 0.00 H new ATOM 1105 N GLU A 74 17.848 13.828 -23.514 1.00 0.00 N ATOM 1106 CA GLU A 74 17.766 15.116 -24.196 1.00 0.00 C ATOM 1107 C GLU A 74 16.510 15.872 -23.762 1.00 0.00 C ATOM 1108 O GLU A 74 15.436 15.283 -23.642 1.00 0.00 O ATOM 1109 CB GLU A 74 17.768 14.917 -25.717 1.00 0.00 C ATOM 1110 CG GLU A 74 17.724 16.219 -26.506 1.00 0.00 C ATOM 1111 CD GLU A 74 16.967 16.083 -27.814 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.391 15.270 -28.663 1.00 0.00 O ATOM 1113 OE2 GLU A 74 15.952 16.789 -27.991 1.00 0.00 O ATOM 0 H GLU A 74 17.618 13.027 -24.102 1.00 0.00 H new ATOM 0 HA GLU A 74 18.639 15.708 -23.921 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.662 14.361 -26.000 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.910 14.305 -25.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.255 16.992 -25.898 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.742 16.549 -26.712 1.00 0.00 H new ATOM 1120 N ARG A 75 16.644 17.175 -23.535 1.00 0.00 N ATOM 1121 CA ARG A 75 15.512 18.000 -23.122 1.00 0.00 C ATOM 1122 C ARG A 75 14.810 18.594 -24.340 1.00 0.00 C ATOM 1123 O ARG A 75 15.457 18.945 -25.325 1.00 0.00 O ATOM 1124 CB ARG A 75 15.987 19.119 -22.192 1.00 0.00 C ATOM 1125 CG ARG A 75 16.798 18.618 -21.007 1.00 0.00 C ATOM 1126 CD ARG A 75 16.959 19.696 -19.946 1.00 0.00 C ATOM 1127 NE ARG A 75 15.782 19.797 -19.086 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.631 20.721 -18.136 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.596 21.597 -17.891 1.00 0.00 N ATOM 1130 NH2 ARG A 75 14.515 20.763 -17.421 1.00 0.00 N ATOM 0 H ARG A 75 17.524 17.683 -23.630 1.00 0.00 H new ATOM 0 HA ARG A 75 14.803 17.370 -22.585 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.591 19.824 -22.763 1.00 0.00 H new ATOM 0 HB3 ARG A 75 15.120 19.667 -21.823 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.308 17.747 -20.571 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.781 18.293 -21.349 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.836 19.477 -19.337 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.139 20.656 -20.429 1.00 0.00 H new ATOM 0 HE ARG A 75 15.031 19.120 -19.220 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.461 21.567 -18.431 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.473 22.301 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.771 20.088 -17.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.401 21.470 -16.695 1.00 0.00 H new ATOM 1144 N THR A 76 13.482 18.689 -24.279 1.00 0.00 N ATOM 1145 CA THR A 76 12.700 19.226 -25.391 1.00 0.00 C ATOM 1146 C THR A 76 13.227 20.587 -25.842 1.00 0.00 C ATOM 1147 O THR A 76 13.039 20.984 -26.992 1.00 0.00 O ATOM 1148 CB THR A 76 11.226 19.342 -24.992 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.721 18.089 -24.564 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.335 19.835 -26.114 1.00 0.00 C ATOM 0 H THR A 76 12.927 18.402 -23.473 1.00 0.00 H new ATOM 0 HA THR A 76 12.795 18.535 -26.228 1.00 0.00 H new ATOM 0 HB THR A 76 11.205 20.075 -24.185 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.779 18.185 -24.312 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.305 19.893 -25.762 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.666 20.823 -26.434 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.392 19.144 -26.955 1.00 0.00 H new ATOM 1158 N ASN A 77 13.889 21.298 -24.934 1.00 0.00 N ATOM 1159 CA ASN A 77 14.442 22.612 -25.248 1.00 0.00 C ATOM 1160 C ASN A 77 15.817 22.495 -25.913 1.00 0.00 C ATOM 1161 O ASN A 77 16.449 23.502 -26.231 1.00 0.00 O ATOM 1162 CB ASN A 77 14.537 23.459 -23.975 1.00 0.00 C ATOM 1163 CG ASN A 77 14.881 24.909 -24.257 1.00 0.00 C ATOM 1164 OD1 ASN A 77 14.508 25.459 -25.292 1.00 0.00 O ATOM 1165 ND2 ASN A 77 15.599 25.536 -23.332 1.00 0.00 N ATOM 0 H ASN A 77 14.055 20.987 -23.977 1.00 0.00 H new ATOM 0 HA ASN A 77 13.771 23.101 -25.955 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.587 23.413 -23.442 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.293 23.033 -23.316 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.862 26.512 -23.466 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.887 25.041 -22.488 1.00 0.00 H new ATOM 1172 N GLY A 78 16.271 21.261 -26.128 1.00 0.00 N ATOM 1173 CA GLY A 78 17.561 21.035 -26.759 1.00 0.00 C ATOM 1174 C GLY A 78 18.688 20.893 -25.758 1.00 0.00 C ATOM 1175 O GLY A 78 18.774 21.643 -24.787 1.00 0.00 O ATOM 0 H GLY A 78 15.766 20.412 -25.875 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.508 20.134 -27.370 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.781 21.864 -27.432 1.00 0.00 H new ATOM 1179 N GLY A 79 19.535 19.909 -25.996 1.00 0.00 N ATOM 1180 CA GLY A 79 20.653 19.639 -25.105 1.00 0.00 C ATOM 1181 C GLY A 79 20.510 18.287 -24.439 1.00 0.00 C ATOM 1182 O GLY A 79 19.681 17.483 -24.861 1.00 0.00 O ATOM 0 H GLY A 79 19.472 19.282 -26.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.586 19.673 -25.668 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.711 20.417 -24.344 1.00 0.00 H new ATOM 1186 N TYR A 80 21.318 18.022 -23.412 1.00 0.00 N ATOM 1187 CA TYR A 80 21.256 16.738 -22.710 1.00 0.00 C ATOM 1188 C TYR A 80 21.214 16.927 -21.196 1.00 0.00 C ATOM 1189 O TYR A 80 21.880 17.805 -20.647 1.00 0.00 O ATOM 1190 CB TYR A 80 22.455 15.863 -23.089 1.00 0.00 C ATOM 1191 CG TYR A 80 22.776 15.884 -24.566 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.869 15.400 -25.499 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.981 16.397 -25.028 1.00 0.00 C ATOM 1194 CE1 TYR A 80 22.151 15.428 -26.850 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.272 16.426 -26.379 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.353 15.942 -27.285 1.00 0.00 C ATOM 1197 OH TYR A 80 23.638 15.974 -28.632 1.00 0.00 O ATOM 0 H TYR A 80 22.016 18.671 -23.050 1.00 0.00 H new ATOM 0 HA TYR A 80 20.335 16.242 -23.016 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.329 16.198 -22.531 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.256 14.836 -22.783 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.926 14.995 -25.162 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.702 16.779 -24.321 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.433 15.049 -27.562 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.215 16.826 -26.723 1.00 0.00 H new ATOM 0 HH TYR A 80 24.525 16.368 -28.769 1.00 0.00 H new ATOM 1207 N ASN A 81 20.418 16.089 -20.532 1.00 0.00 N ATOM 1208 CA ASN A 81 20.273 16.140 -19.081 1.00 0.00 C ATOM 1209 C ASN A 81 19.869 14.770 -18.536 1.00 0.00 C ATOM 1210 O ASN A 81 18.932 14.144 -19.031 1.00 0.00 O ATOM 1211 CB ASN A 81 19.235 17.191 -18.677 1.00 0.00 C ATOM 1212 CG ASN A 81 19.256 17.479 -17.188 1.00 0.00 C ATOM 1213 OD1 ASN A 81 20.117 18.208 -16.696 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.306 16.902 -16.461 1.00 0.00 N ATOM 0 H ASN A 81 19.861 15.363 -20.982 1.00 0.00 H new ATOM 0 HA ASN A 81 21.236 16.420 -18.654 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.423 18.114 -19.226 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.242 16.846 -18.964 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.271 17.056 -15.453 1.00 0.00 H new ATOM 0 HD22 ASN A 81 17.612 16.305 -16.910 1.00 0.00 H new ATOM 1221 N THR A 82 20.593 14.310 -17.521 1.00 0.00 N ATOM 1222 CA THR A 82 20.334 13.008 -16.904 1.00 0.00 C ATOM 1223 C THR A 82 19.382 13.124 -15.720 1.00 0.00 C ATOM 1224 O THR A 82 19.528 14.010 -14.877 1.00 0.00 O ATOM 1225 CB THR A 82 21.638 12.355 -16.458 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.378 11.196 -15.687 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.506 13.271 -15.630 1.00 0.00 C ATOM 0 H THR A 82 21.370 14.822 -17.104 1.00 0.00 H new ATOM 0 HA THR A 82 19.859 12.382 -17.659 1.00 0.00 H new ATOM 0 HB THR A 82 22.170 12.106 -17.376 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.549 10.775 -15.998 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.418 12.748 -15.344 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.763 14.155 -16.214 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.965 13.573 -14.733 1.00 0.00 H new ATOM 1235 N SER A 83 18.410 12.218 -15.658 1.00 0.00 N ATOM 1236 CA SER A 83 17.432 12.203 -14.578 1.00 0.00 C ATOM 1237 C SER A 83 17.469 10.859 -13.851 1.00 0.00 C ATOM 1238 O SER A 83 17.932 9.857 -14.399 1.00 0.00 O ATOM 1239 CB SER A 83 16.029 12.460 -15.127 1.00 0.00 C ATOM 1240 OG SER A 83 15.563 11.350 -15.873 1.00 0.00 O ATOM 0 H SER A 83 18.280 11.480 -16.350 1.00 0.00 H new ATOM 0 HA SER A 83 17.683 12.995 -13.872 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.344 12.662 -14.303 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.039 13.348 -15.759 1.00 0.00 H new ATOM 0 HG SER A 83 15.255 11.653 -16.753 1.00 0.00 H new ATOM 1246 N SER A 84 16.987 10.840 -12.616 1.00 0.00 N ATOM 1247 CA SER A 84 16.973 9.615 -11.828 1.00 0.00 C ATOM 1248 C SER A 84 15.555 9.259 -11.391 1.00 0.00 C ATOM 1249 O SER A 84 14.740 10.140 -11.117 1.00 0.00 O ATOM 1250 CB SER A 84 17.877 9.764 -10.603 1.00 0.00 C ATOM 1251 OG SER A 84 17.716 11.037 -10.002 1.00 0.00 O ATOM 0 H SER A 84 16.602 11.655 -12.139 1.00 0.00 H new ATOM 0 HA SER A 84 17.350 8.806 -12.454 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.644 8.984 -9.878 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.918 9.626 -10.896 1.00 0.00 H new ATOM 0 HG SER A 84 18.303 11.106 -9.220 1.00 0.00 H new ATOM 1257 N ILE A 85 15.267 7.961 -11.322 1.00 0.00 N ATOM 1258 CA ILE A 85 13.943 7.494 -10.914 1.00 0.00 C ATOM 1259 C ILE A 85 14.027 6.206 -10.095 1.00 0.00 C ATOM 1260 O ILE A 85 14.856 5.339 -10.371 1.00 0.00 O ATOM 1261 CB ILE A 85 13.033 7.256 -12.136 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.610 6.926 -11.679 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.591 6.140 -13.009 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.641 6.711 -12.822 1.00 0.00 C ATOM 0 H ILE A 85 15.929 7.217 -11.542 1.00 0.00 H new ATOM 0 HA ILE A 85 13.513 8.280 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 85 13.002 8.169 -12.731 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.635 6.028 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.242 7.736 -11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.936 5.986 -13.866 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.587 6.414 -13.358 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.651 5.219 -12.429 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.653 6.481 -12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.586 7.616 -13.428 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.985 5.881 -13.439 1.00 0.00 H new ATOM 1276 N ASP A 86 13.152 6.085 -9.094 1.00 0.00 N ATOM 1277 CA ASP A 86 13.116 4.898 -8.236 1.00 0.00 C ATOM 1278 C ASP A 86 12.041 3.918 -8.710 1.00 0.00 C ATOM 1279 O ASP A 86 10.857 4.249 -8.728 1.00 0.00 O ATOM 1280 CB ASP A 86 12.843 5.297 -6.786 1.00 0.00 C ATOM 1281 CG ASP A 86 13.009 4.130 -5.833 1.00 0.00 C ATOM 1282 OD1 ASP A 86 14.166 3.767 -5.536 1.00 0.00 O ATOM 1283 OD2 ASP A 86 11.981 3.577 -5.387 1.00 0.00 O ATOM 0 H ASP A 86 12.459 6.795 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 86 14.088 4.409 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.522 6.100 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.830 5.691 -6.703 1.00 0.00 H new ATOM 1288 N LEU A 87 12.459 2.720 -9.109 1.00 0.00 N ATOM 1289 CA LEU A 87 11.517 1.711 -9.607 1.00 0.00 C ATOM 1290 C LEU A 87 11.146 0.667 -8.551 1.00 0.00 C ATOM 1291 O LEU A 87 10.322 -0.208 -8.813 1.00 0.00 O ATOM 1292 CB LEU A 87 12.085 1.022 -10.845 1.00 0.00 C ATOM 1293 CG LEU A 87 12.817 1.949 -11.818 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.687 1.146 -12.771 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.822 2.805 -12.591 1.00 0.00 C ATOM 0 H LEU A 87 13.434 2.422 -9.099 1.00 0.00 H new ATOM 0 HA LEU A 87 10.600 2.241 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.773 0.239 -10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.270 0.532 -11.377 1.00 0.00 H new ATOM 0 HG LEU A 87 13.463 2.611 -11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.199 1.823 -13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.424 0.580 -12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.063 0.458 -13.341 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.360 3.458 -13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.149 2.160 -13.156 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.244 3.411 -11.893 1.00 0.00 H new ATOM 1307 N ASN A 88 11.766 0.727 -7.375 1.00 0.00 N ATOM 1308 CA ASN A 88 11.497 -0.255 -6.320 1.00 0.00 C ATOM 1309 C ASN A 88 10.000 -0.521 -6.151 1.00 0.00 C ATOM 1310 O ASN A 88 9.600 -1.614 -5.749 1.00 0.00 O ATOM 1311 CB ASN A 88 12.069 0.244 -4.990 1.00 0.00 C ATOM 1312 CG ASN A 88 11.930 -0.776 -3.876 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.341 -2.008 -4.149 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.460 -0.459 -2.783 1.00 0.00 N flip ATOM 0 H ASN A 88 12.454 1.438 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 88 11.976 -1.189 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.122 0.491 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.559 1.163 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.157 0.501 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.374 -1.156 -2.043 1.00 0.00 H new ATOM 1321 N SER A 89 9.177 0.476 -6.455 1.00 0.00 N ATOM 1322 CA SER A 89 7.728 0.336 -6.324 1.00 0.00 C ATOM 1323 C SER A 89 7.092 -0.383 -7.517 1.00 0.00 C ATOM 1324 O SER A 89 6.178 -1.189 -7.343 1.00 0.00 O ATOM 1325 CB SER A 89 7.082 1.711 -6.157 1.00 0.00 C ATOM 1326 OG SER A 89 7.268 2.206 -4.842 1.00 0.00 O ATOM 0 H SER A 89 9.485 1.388 -6.793 1.00 0.00 H new ATOM 0 HA SER A 89 7.550 -0.276 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.513 2.408 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.016 1.645 -6.377 1.00 0.00 H new ATOM 0 HG SER A 89 6.847 3.087 -4.762 1.00 0.00 H new ATOM 1332 N VAL A 90 7.541 -0.055 -8.725 1.00 0.00 N ATOM 1333 CA VAL A 90 6.972 -0.646 -9.936 1.00 0.00 C ATOM 1334 C VAL A 90 7.328 -2.128 -10.115 1.00 0.00 C ATOM 1335 O VAL A 90 6.441 -2.957 -10.319 1.00 0.00 O ATOM 1336 CB VAL A 90 7.367 0.155 -11.202 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.203 1.646 -10.956 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.792 -0.150 -11.640 1.00 0.00 C ATOM 0 H VAL A 90 8.293 0.613 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 90 5.891 -0.591 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 90 6.699 -0.152 -12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.484 2.196 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.164 1.862 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.844 1.951 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.031 0.431 -12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.483 0.113 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.884 -1.213 -11.865 1.00 0.00 H new ATOM 1348 N ILE A 91 8.613 -2.461 -10.059 1.00 0.00 N ATOM 1349 CA ILE A 91 9.042 -3.845 -10.234 1.00 0.00 C ATOM 1350 C ILE A 91 8.934 -4.637 -8.927 1.00 0.00 C ATOM 1351 O ILE A 91 9.098 -4.086 -7.838 1.00 0.00 O ATOM 1352 CB ILE A 91 10.482 -3.917 -10.798 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.523 -3.311 -12.207 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.993 -5.352 -10.824 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.269 -1.994 -12.278 1.00 0.00 C ATOM 0 H ILE A 91 9.371 -1.798 -9.895 1.00 0.00 H new ATOM 0 HA ILE A 91 8.369 -4.303 -10.959 1.00 0.00 H new ATOM 0 HB ILE A 91 11.135 -3.342 -10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.993 -4.022 -12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.502 -3.161 -12.559 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.006 -5.370 -11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.996 -5.756 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.343 -5.958 -11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.258 -1.624 -13.303 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.787 -1.267 -11.625 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.300 -2.142 -11.957 1.00 0.00 H new ATOM 1367 N GLU A 92 8.639 -5.933 -9.050 1.00 0.00 N ATOM 1368 CA GLU A 92 8.482 -6.814 -7.892 1.00 0.00 C ATOM 1369 C GLU A 92 9.143 -8.163 -8.162 1.00 0.00 C ATOM 1370 O GLU A 92 9.470 -8.471 -9.307 1.00 0.00 O ATOM 1371 CB GLU A 92 6.992 -7.029 -7.604 1.00 0.00 C ATOM 1372 CG GLU A 92 6.700 -7.527 -6.197 1.00 0.00 C ATOM 1373 CD GLU A 92 5.255 -7.310 -5.788 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.414 -7.068 -6.679 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.965 -7.383 -4.575 1.00 0.00 O ATOM 0 H GLU A 92 8.503 -6.398 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 92 8.959 -6.348 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.462 -6.090 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.593 -7.745 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.935 -8.590 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.354 -7.015 -5.491 1.00 0.00 H new ATOM 1382 N ASN A 93 9.351 -8.971 -7.120 1.00 0.00 N ATOM 1383 CA ASN A 93 9.982 -10.273 -7.301 1.00 0.00 C ATOM 1384 C ASN A 93 8.955 -11.393 -7.179 1.00 0.00 C ATOM 1385 O ASN A 93 8.597 -11.812 -6.079 1.00 0.00 O ATOM 1386 CB ASN A 93 11.092 -10.473 -6.265 1.00 0.00 C ATOM 1387 CG ASN A 93 11.835 -11.784 -6.452 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.964 -12.285 -7.569 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.329 -12.346 -5.355 1.00 0.00 N ATOM 0 H ASN A 93 9.095 -8.749 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 93 10.415 -10.304 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.799 -9.646 -6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.660 -10.444 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.839 -13.227 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.199 -11.896 -4.449 1.00 0.00 H new ATOM 1396 N VAL A 94 8.506 -11.886 -8.326 1.00 0.00 N ATOM 1397 CA VAL A 94 7.541 -12.974 -8.369 1.00 0.00 C ATOM 1398 C VAL A 94 8.248 -14.308 -8.583 1.00 0.00 C ATOM 1399 O VAL A 94 8.565 -14.674 -9.715 1.00 0.00 O ATOM 1400 CB VAL A 94 6.492 -12.764 -9.479 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.452 -13.877 -9.458 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.824 -11.405 -9.331 1.00 0.00 C ATOM 0 H VAL A 94 8.797 -11.547 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 94 7.025 -12.985 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 94 7.003 -12.795 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.722 -13.708 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.943 -14.837 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.945 -13.883 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.087 -11.274 -10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.330 -11.346 -8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.577 -10.620 -9.403 1.00 0.00 H new ATOM 1412 N ASP A 95 8.495 -15.035 -7.496 1.00 0.00 N ATOM 1413 CA ASP A 95 9.163 -16.332 -7.571 1.00 0.00 C ATOM 1414 C ASP A 95 10.485 -16.245 -8.331 1.00 0.00 C ATOM 1415 O ASP A 95 10.881 -17.196 -9.006 1.00 0.00 O ATOM 1416 CB ASP A 95 8.249 -17.362 -8.236 1.00 0.00 C ATOM 1417 CG ASP A 95 8.651 -18.787 -7.907 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.295 -18.994 -6.857 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.319 -19.695 -8.697 1.00 0.00 O ATOM 0 H ASP A 95 8.242 -14.747 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 95 9.382 -16.646 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.221 -17.194 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.272 -17.221 -9.317 1.00 0.00 H new ATOM 1424 N GLY A 96 11.170 -15.109 -8.213 1.00 0.00 N ATOM 1425 CA GLY A 96 12.450 -14.938 -8.886 1.00 0.00 C ATOM 1426 C GLY A 96 12.328 -14.279 -10.245 1.00 0.00 C ATOM 1427 O GLY A 96 13.147 -14.520 -11.133 1.00 0.00 O ATOM 0 H GLY A 96 10.863 -14.305 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.107 -14.338 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.924 -15.912 -9.003 1.00 0.00 H new ATOM 1431 N SER A 97 11.306 -13.448 -10.412 1.00 0.00 N ATOM 1432 CA SER A 97 11.089 -12.757 -11.678 1.00 0.00 C ATOM 1433 C SER A 97 10.612 -11.329 -11.445 1.00 0.00 C ATOM 1434 O SER A 97 9.739 -11.081 -10.612 1.00 0.00 O ATOM 1435 CB SER A 97 10.068 -13.511 -12.530 1.00 0.00 C ATOM 1436 OG SER A 97 10.094 -14.900 -12.249 1.00 0.00 O ATOM 0 H SER A 97 10.617 -13.237 -9.690 1.00 0.00 H new ATOM 0 HA SER A 97 12.041 -12.723 -12.208 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.070 -13.117 -12.340 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.280 -13.347 -13.587 1.00 0.00 H new ATOM 0 HG SER A 97 9.609 -15.074 -11.416 1.00 0.00 H new ATOM 1442 N LEU A 98 11.194 -10.391 -12.186 1.00 0.00 N ATOM 1443 CA LEU A 98 10.830 -8.986 -12.059 1.00 0.00 C ATOM 1444 C LEU A 98 9.470 -8.719 -12.696 1.00 0.00 C ATOM 1445 O LEU A 98 9.274 -8.949 -13.889 1.00 0.00 O ATOM 1446 CB LEU A 98 11.900 -8.105 -12.705 1.00 0.00 C ATOM 1447 CG LEU A 98 13.308 -8.272 -12.130 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.278 -7.323 -12.815 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.302 -8.037 -10.626 1.00 0.00 C ATOM 0 H LEU A 98 11.918 -10.579 -12.879 1.00 0.00 H new ATOM 0 HA LEU A 98 10.764 -8.742 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.932 -8.322 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.602 -7.062 -12.600 1.00 0.00 H new ATOM 0 HG LEU A 98 13.637 -9.294 -12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.275 -7.455 -12.394 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.304 -7.538 -13.883 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.952 -6.295 -12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.312 -8.160 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.953 -7.026 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.637 -8.757 -10.148 1.00 0.00 H new ATOM 1461 N LYS A 99 8.529 -8.244 -11.883 1.00 0.00 N ATOM 1462 CA LYS A 99 7.176 -7.954 -12.350 1.00 0.00 C ATOM 1463 C LYS A 99 6.794 -6.502 -12.083 1.00 0.00 C ATOM 1464 O LYS A 99 6.972 -5.994 -10.978 1.00 0.00 O ATOM 1465 CB LYS A 99 6.172 -8.893 -11.674 1.00 0.00 C ATOM 1466 CG LYS A 99 6.082 -10.263 -12.331 1.00 0.00 C ATOM 1467 CD LYS A 99 4.637 -10.651 -12.606 1.00 0.00 C ATOM 1468 CE LYS A 99 4.518 -12.098 -13.056 1.00 0.00 C ATOM 1469 NZ LYS A 99 4.400 -12.213 -14.536 1.00 0.00 N ATOM 0 H LYS A 99 8.680 -8.051 -10.893 1.00 0.00 H new ATOM 0 HA LYS A 99 7.152 -8.116 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.452 -9.018 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.186 -8.428 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.643 -10.258 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.544 -11.009 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.042 -10.500 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.224 -9.996 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.391 -12.656 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.646 -12.553 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.321 -13.216 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.553 -11.702 -14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.243 -11.802 -14.984 1.00 0.00 H new ATOM 1483 N TYR A 100 6.273 -5.840 -13.112 1.00 0.00 N ATOM 1484 CA TYR A 100 5.866 -4.442 -13.005 1.00 0.00 C ATOM 1485 C TYR A 100 4.457 -4.321 -12.429 1.00 0.00 C ATOM 1486 O TYR A 100 4.210 -3.505 -11.542 1.00 0.00 O ATOM 1487 CB TYR A 100 5.931 -3.768 -14.377 1.00 0.00 C ATOM 1488 CG TYR A 100 5.600 -2.293 -14.345 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.294 -1.860 -14.158 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.594 -1.333 -14.497 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.986 -0.514 -14.125 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.294 0.014 -14.463 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.989 0.419 -14.277 1.00 0.00 C ATOM 1494 OH TYR A 100 4.687 1.761 -14.241 1.00 0.00 O ATOM 0 H TYR A 100 6.122 -6.251 -14.033 1.00 0.00 H new ATOM 0 HA TYR A 100 6.555 -3.940 -12.326 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.932 -3.898 -14.789 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.240 -4.272 -15.053 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.506 -2.588 -14.036 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.617 -1.646 -14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.965 -0.194 -13.981 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.078 0.747 -14.582 1.00 0.00 H new ATOM 0 HH TYR A 100 5.504 2.284 -14.379 1.00 0.00 H new