USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 130:sc= 0.192 USER MOD Set 2.2: A 71 SER OG : rot 126:sc= 0.18 USER MOD Set 3.1: A 43 ASN : amide:sc= -3.14! C(o=-5.1!,f=-5!) USER MOD Set 3.2: A 58 THR OG1 : rot 130:sc= -2! USER MOD Set 4.1: A 7 THR OG1 : rot -130:sc= 0.0394 USER MOD Set 4.2: A 93 ASN : amide:sc= -1.53 K(o=-1.5,f=-9.6!) USER MOD Single : A 10 ASN : amide:sc= -10! C(o=-10!,f=-18!) USER MOD Single : A 11 THR OG1 : rot 37:sc= -1.13 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -1.28 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= -0.117 K(o=-0.12,f=-0.74) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.189 USER MOD Single : A 33 THR OG1 : rot 72:sc= -1.4 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0023 (180deg=-0.131) USER MOD Single : A 36 ASN : amide:sc= -2.98 K(o=-3,f=-12!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -6.16! C(o=-6.8!,f=-6.2!) 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 : amide:sc= -0.106 K(o=-0.11,f=-2.1!) USER MOD Single : A 53 SER OG : rot 162:sc= -2.48 USER MOD Single : A 54 ASN : amide:sc= -2.53 K(o=-2.5,f=-4.7!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0094 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= 1.83 USER MOD Single : A 61 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.87) USER MOD Single : A 65 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1.2) USER MOD Single : A 67 SER OG : rot 100:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 148:sc= 0.735 USER MOD Single : A 77 ASN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0548 X(o=-0.055,f=-0.055) USER MOD Single : A 82 THR OG1 : rot 42:sc= 1.06 USER MOD Single : A 83 SER OG : rot -37:sc= -0.199 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.85! C(o=-6.9!,f=-4.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -83:sc= 0.932 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.144 -4.883 -5.229 1.00 0.00 N ATOM 59 CA PHE A 4 11.927 -5.942 -5.866 1.00 0.00 C ATOM 60 C PHE A 4 13.387 -5.904 -5.413 1.00 0.00 C ATOM 61 O PHE A 4 14.014 -6.948 -5.241 1.00 0.00 O ATOM 62 CB PHE A 4 11.830 -5.840 -7.395 1.00 0.00 C ATOM 63 CG PHE A 4 12.685 -4.765 -8.007 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.325 -3.432 -7.907 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.847 -5.093 -8.686 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.109 -2.445 -8.472 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.635 -4.110 -9.253 1.00 0.00 C ATOM 68 CZ PHE A 4 14.265 -2.784 -9.146 1.00 0.00 C ATOM 0 HA PHE A 4 11.508 -6.899 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.111 -6.800 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.791 -5.659 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.421 -3.161 -7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.140 -6.129 -8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.818 -1.409 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.539 -4.378 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.879 -2.014 -9.589 1.00 0.00 H new ATOM 78 N ILE A 5 13.930 -4.704 -5.221 1.00 0.00 N ATOM 79 CA ILE A 5 15.317 -4.571 -4.790 1.00 0.00 C ATOM 80 C ILE A 5 15.508 -5.083 -3.364 1.00 0.00 C ATOM 81 O ILE A 5 16.636 -5.273 -2.911 1.00 0.00 O ATOM 82 CB ILE A 5 15.803 -3.106 -4.876 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.330 -3.047 -4.783 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.165 -2.253 -3.784 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.028 -3.396 -6.080 1.00 0.00 C ATOM 0 H ILE A 5 13.437 -3.821 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 5 15.914 -5.179 -5.470 1.00 0.00 H new ATOM 0 HB ILE A 5 15.496 -2.701 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.629 -2.044 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.665 -3.731 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.524 -1.227 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.081 -2.268 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.434 -2.653 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.107 -3.334 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.758 -4.410 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.722 -2.696 -6.858 1.00 0.00 H new ATOM 97 N GLU A 6 14.403 -5.329 -2.664 1.00 0.00 N ATOM 98 CA GLU A 6 14.475 -5.841 -1.301 1.00 0.00 C ATOM 99 C GLU A 6 14.810 -7.332 -1.305 1.00 0.00 C ATOM 100 O GLU A 6 15.386 -7.852 -0.349 1.00 0.00 O ATOM 101 CB GLU A 6 13.155 -5.599 -0.561 1.00 0.00 C ATOM 102 CG GLU A 6 12.993 -4.176 -0.050 1.00 0.00 C ATOM 103 CD GLU A 6 13.497 -4.006 1.370 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.515 -4.639 1.718 1.00 0.00 O ATOM 105 OE2 GLU A 6 12.872 -3.240 2.134 1.00 0.00 O ATOM 0 H GLU A 6 13.456 -5.183 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 6 15.268 -5.306 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.326 -5.832 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.089 -6.288 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.533 -3.494 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.941 -3.895 -0.094 1.00 0.00 H new ATOM 112 N THR A 7 14.458 -8.011 -2.396 1.00 0.00 N ATOM 113 CA THR A 7 14.735 -9.437 -2.534 1.00 0.00 C ATOM 114 C THR A 7 15.659 -9.715 -3.721 1.00 0.00 C ATOM 115 O THR A 7 16.039 -10.861 -3.963 1.00 0.00 O ATOM 116 CB THR A 7 13.434 -10.226 -2.700 1.00 0.00 C ATOM 117 OG1 THR A 7 12.810 -9.914 -3.932 1.00 0.00 O ATOM 118 CG2 THR A 7 12.430 -9.966 -1.598 1.00 0.00 C ATOM 0 H THR A 7 13.981 -7.595 -3.196 1.00 0.00 H new ATOM 0 HA THR A 7 15.238 -9.760 -1.623 1.00 0.00 H new ATOM 0 HB THR A 7 13.728 -11.275 -2.661 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.867 -9.697 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.532 -10.557 -1.777 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.863 -10.247 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.171 -8.907 -1.584 1.00 0.00 H new ATOM 126 N CYS A 8 16.007 -8.673 -4.470 1.00 0.00 N ATOM 127 CA CYS A 8 16.873 -8.836 -5.630 1.00 0.00 C ATOM 128 C CYS A 8 18.264 -8.265 -5.371 1.00 0.00 C ATOM 129 O CYS A 8 18.430 -7.317 -4.603 1.00 0.00 O ATOM 130 CB CYS A 8 16.253 -8.169 -6.861 1.00 0.00 C ATOM 131 SG CYS A 8 14.606 -8.812 -7.306 1.00 0.00 S ATOM 0 H CYS A 8 15.705 -7.715 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 8 16.975 -9.905 -5.818 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.176 -7.097 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.924 -8.301 -7.709 1.00 0.00 H new ATOM 136 N ARG A 9 19.258 -8.850 -6.030 1.00 0.00 N ATOM 137 CA ARG A 9 20.639 -8.410 -5.890 1.00 0.00 C ATOM 138 C ARG A 9 21.288 -8.243 -7.260 1.00 0.00 C ATOM 139 O ARG A 9 20.694 -8.596 -8.278 1.00 0.00 O ATOM 140 CB ARG A 9 21.437 -9.411 -5.053 1.00 0.00 C ATOM 141 CG ARG A 9 21.148 -10.863 -5.399 1.00 0.00 C ATOM 142 CD ARG A 9 22.369 -11.741 -5.180 1.00 0.00 C ATOM 143 NE ARG A 9 23.502 -11.315 -5.996 1.00 0.00 N ATOM 144 CZ ARG A 9 24.687 -11.919 -5.992 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.899 -12.974 -5.215 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.663 -11.468 -6.768 1.00 0.00 N ATOM 0 H ARG A 9 19.131 -9.634 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 9 20.640 -7.446 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.501 -9.219 -5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.216 -9.247 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.323 -11.227 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.829 -10.934 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.650 -11.715 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.119 -12.775 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 9 23.378 -10.506 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.151 -13.325 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.810 -13.433 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.505 -10.658 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.572 -11.931 -6.765 1.00 0.00 H new ATOM 160 N ASN A 10 22.503 -7.696 -7.280 1.00 0.00 N ATOM 161 CA ASN A 10 23.239 -7.474 -8.524 1.00 0.00 C ATOM 162 C ASN A 10 22.380 -6.769 -9.569 1.00 0.00 C ATOM 163 O ASN A 10 22.199 -7.264 -10.681 1.00 0.00 O ATOM 164 CB ASN A 10 23.793 -8.794 -9.079 1.00 0.00 C ATOM 165 CG ASN A 10 22.712 -9.751 -9.546 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.113 -10.464 -8.743 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.468 -9.780 -10.851 1.00 0.00 N ATOM 0 H ASN A 10 23.001 -7.397 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 10 24.079 -6.820 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.461 -8.577 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.391 -9.281 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.759 -10.412 -11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.989 -9.170 -11.481 1.00 0.00 H new ATOM 174 N THR A 11 21.866 -5.599 -9.205 1.00 0.00 N ATOM 175 CA THR A 11 21.050 -4.814 -10.118 1.00 0.00 C ATOM 176 C THR A 11 21.948 -4.069 -11.098 1.00 0.00 C ATOM 177 O THR A 11 22.937 -3.451 -10.703 1.00 0.00 O ATOM 178 CB THR A 11 20.164 -3.834 -9.347 1.00 0.00 C ATOM 179 OG1 THR A 11 20.895 -3.200 -8.312 1.00 0.00 O ATOM 180 CG2 THR A 11 18.953 -4.490 -8.716 1.00 0.00 C ATOM 0 H THR A 11 22.001 -5.176 -8.287 1.00 0.00 H new ATOM 0 HA THR A 11 20.398 -5.487 -10.675 1.00 0.00 H new ATOM 0 HB THR A 11 19.823 -3.112 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.809 -3.022 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.368 -3.739 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.339 -4.945 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.279 -5.258 -8.015 1.00 0.00 H new ATOM 188 N GLN A 12 21.606 -4.142 -12.376 1.00 0.00 N ATOM 189 CA GLN A 12 22.394 -3.486 -13.414 1.00 0.00 C ATOM 190 C GLN A 12 21.570 -3.247 -14.670 1.00 0.00 C ATOM 191 O GLN A 12 20.504 -3.835 -14.847 1.00 0.00 O ATOM 192 CB GLN A 12 23.643 -4.304 -13.737 1.00 0.00 C ATOM 193 CG GLN A 12 23.351 -5.753 -14.082 1.00 0.00 C ATOM 194 CD GLN A 12 24.344 -6.322 -15.073 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.556 -6.204 -14.892 1.00 0.00 O ATOM 196 NE2 GLN A 12 23.835 -6.941 -16.130 1.00 0.00 N ATOM 0 H GLN A 12 20.790 -4.648 -12.721 1.00 0.00 H new ATOM 0 HA GLN A 12 22.704 -2.514 -13.031 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.165 -3.839 -14.573 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.318 -4.272 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.368 -6.351 -13.171 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.345 -5.830 -14.495 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.824 -7.015 -16.239 1.00 0.00 H new ATOM 0 HE22 GLN A 12 24.455 -7.343 -16.833 1.00 0.00 H new ATOM 205 N LEU A 13 22.072 -2.376 -15.539 1.00 0.00 N ATOM 206 CA LEU A 13 21.379 -2.051 -16.777 1.00 0.00 C ATOM 207 C LEU A 13 21.931 -2.859 -17.939 1.00 0.00 C ATOM 208 O LEU A 13 23.144 -3.000 -18.097 1.00 0.00 O ATOM 209 CB LEU A 13 21.529 -0.565 -17.097 1.00 0.00 C ATOM 210 CG LEU A 13 20.818 -0.110 -18.374 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.654 0.802 -18.035 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.789 0.588 -19.319 1.00 0.00 C ATOM 0 H LEU A 13 22.956 -1.884 -15.408 1.00 0.00 H new ATOM 0 HA LEU A 13 20.326 -2.295 -16.638 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.144 0.014 -16.257 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.590 -0.332 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 13 20.430 -0.993 -18.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.159 1.117 -18.954 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.944 0.266 -17.405 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.022 1.679 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.259 0.902 -20.219 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.213 1.462 -18.825 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.590 -0.100 -19.591 1.00 0.00 H new ATOM 224 N ALA A 14 21.027 -3.375 -18.760 1.00 0.00 N ATOM 225 CA ALA A 14 21.392 -4.156 -19.926 1.00 0.00 C ATOM 226 C ALA A 14 20.857 -3.470 -21.174 1.00 0.00 C ATOM 227 O ALA A 14 19.778 -2.879 -21.142 1.00 0.00 O ATOM 228 CB ALA A 14 20.835 -5.567 -19.808 1.00 0.00 C ATOM 0 H ALA A 14 20.021 -3.262 -18.634 1.00 0.00 H new ATOM 0 HA ALA A 14 22.478 -4.226 -19.995 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.116 -6.144 -20.689 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.241 -6.045 -18.917 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.748 -5.524 -19.733 1.00 0.00 H new ATOM 234 N GLY A 15 21.607 -3.523 -22.265 1.00 0.00 N ATOM 235 CA GLY A 15 21.159 -2.870 -23.479 1.00 0.00 C ATOM 236 C GLY A 15 20.951 -1.382 -23.261 1.00 0.00 C ATOM 237 O GLY A 15 21.618 -0.782 -22.419 1.00 0.00 O ATOM 0 H GLY A 15 22.506 -4.000 -22.333 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.893 -3.025 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.227 -3.324 -23.816 1.00 0.00 H new ATOM 241 N SER A 16 20.054 -0.774 -24.030 1.00 0.00 N ATOM 242 CA SER A 16 19.816 0.661 -23.910 1.00 0.00 C ATOM 243 C SER A 16 18.792 1.004 -22.832 1.00 0.00 C ATOM 244 O SER A 16 18.927 2.025 -22.157 1.00 0.00 O ATOM 245 CB SER A 16 19.333 1.229 -25.242 1.00 0.00 C ATOM 246 OG SER A 16 20.026 0.643 -26.331 1.00 0.00 O ATOM 0 H SER A 16 19.486 -1.245 -24.735 1.00 0.00 H new ATOM 0 HA SER A 16 20.768 1.107 -23.623 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.263 1.050 -25.350 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.479 2.309 -25.254 1.00 0.00 H new ATOM 0 HG SER A 16 19.696 1.023 -27.172 1.00 0.00 H new ATOM 252 N SER A 17 17.758 0.181 -22.672 1.00 0.00 N ATOM 253 CA SER A 17 16.736 0.469 -21.678 1.00 0.00 C ATOM 254 C SER A 17 16.245 -0.787 -20.952 1.00 0.00 C ATOM 255 O SER A 17 15.076 -0.876 -20.589 1.00 0.00 O ATOM 256 CB SER A 17 15.565 1.188 -22.351 1.00 0.00 C ATOM 257 OG SER A 17 15.291 0.641 -23.630 1.00 0.00 O ATOM 0 H SER A 17 17.610 -0.674 -23.208 1.00 0.00 H new ATOM 0 HA SER A 17 17.184 1.110 -20.919 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.678 1.110 -21.722 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.795 2.249 -22.449 1.00 0.00 H new ATOM 0 HG SER A 17 14.780 1.288 -24.160 1.00 0.00 H new ATOM 263 N GLU A 18 17.141 -1.745 -20.719 1.00 0.00 N ATOM 264 CA GLU A 18 16.774 -2.970 -20.005 1.00 0.00 C ATOM 265 C GLU A 18 17.504 -3.085 -18.675 1.00 0.00 C ATOM 266 O GLU A 18 18.632 -2.622 -18.529 1.00 0.00 O ATOM 267 CB GLU A 18 17.046 -4.224 -20.839 1.00 0.00 C ATOM 268 CG GLU A 18 15.952 -4.550 -21.837 1.00 0.00 C ATOM 269 CD GLU A 18 16.219 -3.990 -23.220 1.00 0.00 C ATOM 270 OE1 GLU A 18 15.900 -2.804 -23.453 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.740 -4.738 -24.072 1.00 0.00 O ATOM 0 H GLU A 18 18.117 -1.699 -21.010 1.00 0.00 H new ATOM 0 HA GLU A 18 15.702 -2.901 -19.818 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.986 -4.094 -21.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.176 -5.073 -20.168 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.842 -5.632 -21.905 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.005 -4.156 -21.469 1.00 0.00 H new ATOM 278 N LEU A 19 16.845 -3.717 -17.711 1.00 0.00 N ATOM 279 CA LEU A 19 17.414 -3.923 -16.388 1.00 0.00 C ATOM 280 C LEU A 19 17.430 -5.413 -16.072 1.00 0.00 C ATOM 281 O LEU A 19 16.392 -6.073 -16.123 1.00 0.00 O ATOM 282 CB LEU A 19 16.596 -3.161 -15.339 1.00 0.00 C ATOM 283 CG LEU A 19 16.758 -3.636 -13.892 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.199 -3.483 -13.435 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.821 -2.863 -12.976 1.00 0.00 C ATOM 0 H LEU A 19 15.906 -4.099 -17.825 1.00 0.00 H new ATOM 0 HA LEU A 19 18.436 -3.544 -16.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.870 -2.107 -15.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.542 -3.230 -15.608 1.00 0.00 H new ATOM 0 HG LEU A 19 16.497 -4.693 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.292 -3.826 -12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.849 -4.078 -14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.491 -2.435 -13.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.946 -3.210 -11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.055 -1.800 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.790 -3.024 -13.290 1.00 0.00 H new ATOM 297 N ALA A 20 18.596 -5.947 -15.736 1.00 0.00 N ATOM 298 CA ALA A 20 18.708 -7.355 -15.409 1.00 0.00 C ATOM 299 C ALA A 20 19.204 -7.517 -13.975 1.00 0.00 C ATOM 300 O ALA A 20 20.010 -6.721 -13.493 1.00 0.00 O ATOM 301 CB ALA A 20 19.624 -8.051 -16.405 1.00 0.00 C ATOM 0 H ALA A 20 19.472 -5.427 -15.684 1.00 0.00 H new ATOM 0 HA ALA A 20 17.727 -7.825 -15.478 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.702 -9.108 -16.151 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.214 -7.949 -17.410 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.614 -7.596 -16.369 1.00 0.00 H new ATOM 307 N ALA A 21 18.703 -8.535 -13.295 1.00 0.00 N ATOM 308 CA ALA A 21 19.073 -8.784 -11.908 1.00 0.00 C ATOM 309 C ALA A 21 18.748 -10.215 -11.502 1.00 0.00 C ATOM 310 O ALA A 21 18.080 -10.939 -12.240 1.00 0.00 O ATOM 311 CB ALA A 21 18.371 -7.796 -10.991 1.00 0.00 C ATOM 0 H ALA A 21 18.037 -9.205 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 21 20.150 -8.646 -11.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.656 -7.993 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.661 -6.780 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.292 -7.905 -11.097 1.00 0.00 H new ATOM 317 N GLU A 22 19.179 -10.609 -10.310 1.00 0.00 N ATOM 318 CA GLU A 22 18.882 -11.937 -9.800 1.00 0.00 C ATOM 319 C GLU A 22 18.023 -11.804 -8.547 1.00 0.00 C ATOM 320 O GLU A 22 18.314 -10.985 -7.674 1.00 0.00 O ATOM 321 CB GLU A 22 20.173 -12.700 -9.486 1.00 0.00 C ATOM 322 CG GLU A 22 21.087 -12.873 -10.688 1.00 0.00 C ATOM 323 CD GLU A 22 22.554 -12.735 -10.329 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.928 -13.121 -9.201 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.329 -12.242 -11.175 1.00 0.00 O ATOM 0 H GLU A 22 19.734 -10.028 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 22 18.339 -12.501 -10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.715 -12.172 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.917 -13.683 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.916 -13.854 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.830 -12.132 -11.445 1.00 0.00 H new ATOM 332 N CYS A 23 16.954 -12.586 -8.460 1.00 0.00 N ATOM 333 CA CYS A 23 16.066 -12.508 -7.309 1.00 0.00 C ATOM 334 C CYS A 23 15.775 -13.883 -6.722 1.00 0.00 C ATOM 335 O CYS A 23 15.546 -14.849 -7.451 1.00 0.00 O ATOM 336 CB CYS A 23 14.761 -11.817 -7.703 1.00 0.00 C ATOM 337 SG CYS A 23 14.996 -10.280 -8.653 1.00 0.00 S ATOM 0 H CYS A 23 16.684 -13.273 -9.164 1.00 0.00 H new ATOM 0 HA CYS A 23 16.571 -11.923 -6.540 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.159 -12.508 -8.293 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.194 -11.591 -6.800 1.00 0.00 H new ATOM 342 N LYS A 24 15.807 -13.964 -5.398 1.00 0.00 N ATOM 343 CA LYS A 24 15.559 -15.222 -4.704 1.00 0.00 C ATOM 344 C LYS A 24 14.115 -15.684 -4.883 1.00 0.00 C ATOM 345 O LYS A 24 13.177 -14.889 -4.812 1.00 0.00 O ATOM 346 CB LYS A 24 15.894 -15.093 -3.214 1.00 0.00 C ATOM 347 CG LYS A 24 15.011 -14.099 -2.475 1.00 0.00 C ATOM 348 CD LYS A 24 14.920 -14.424 -0.992 1.00 0.00 C ATOM 349 CE LYS A 24 15.986 -13.688 -0.196 1.00 0.00 C ATOM 350 NZ LYS A 24 16.284 -14.367 1.096 1.00 0.00 N ATOM 0 H LYS A 24 16.002 -13.174 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 24 16.210 -15.975 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.799 -16.071 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.935 -14.789 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.409 -13.092 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.012 -14.105 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.933 -14.152 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.032 -15.498 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.898 -13.619 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.654 -12.668 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.015 -13.834 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.420 -14.410 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.625 -15.332 0.911 1.00 0.00 H new ATOM 364 N THR A 25 13.953 -16.985 -5.115 1.00 0.00 N ATOM 365 CA THR A 25 12.633 -17.580 -5.309 1.00 0.00 C ATOM 366 C THR A 25 12.006 -17.959 -3.972 1.00 0.00 C ATOM 367 O THR A 25 12.568 -17.675 -2.914 1.00 0.00 O ATOM 368 CB THR A 25 12.737 -18.808 -6.211 1.00 0.00 C ATOM 369 OG1 THR A 25 13.588 -19.783 -5.635 1.00 0.00 O ATOM 370 CG2 THR A 25 13.271 -18.485 -7.590 1.00 0.00 C ATOM 0 H THR A 25 14.724 -17.650 -5.173 1.00 0.00 H new ATOM 0 HA THR A 25 11.991 -16.841 -5.789 1.00 0.00 H new ATOM 0 HB THR A 25 11.720 -19.186 -6.310 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.640 -20.562 -6.227 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.322 -19.398 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.608 -17.771 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.268 -18.054 -7.502 1.00 0.00 H new ATOM 378 N ARG A 26 10.835 -18.592 -4.016 1.00 0.00 N ATOM 379 CA ARG A 26 10.139 -18.996 -2.798 1.00 0.00 C ATOM 380 C ARG A 26 10.966 -19.989 -1.983 1.00 0.00 C ATOM 381 O ARG A 26 10.864 -20.034 -0.756 1.00 0.00 O ATOM 382 CB ARG A 26 8.782 -19.614 -3.148 1.00 0.00 C ATOM 383 CG ARG A 26 7.836 -18.650 -3.849 1.00 0.00 C ATOM 384 CD ARG A 26 6.380 -19.045 -3.653 1.00 0.00 C ATOM 385 NE ARG A 26 5.532 -17.885 -3.381 1.00 0.00 N ATOM 386 CZ ARG A 26 4.218 -17.856 -3.600 1.00 0.00 C ATOM 387 NH1 ARG A 26 3.592 -18.926 -4.075 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.528 -16.753 -3.339 1.00 0.00 N ATOM 0 H ARG A 26 10.350 -18.835 -4.880 1.00 0.00 H new ATOM 0 HA ARG A 26 9.987 -18.104 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.942 -20.482 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.309 -19.974 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.994 -17.642 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.066 -18.625 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.020 -19.557 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.304 -19.752 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 26 5.973 -17.048 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.117 -19.777 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.586 -18.897 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.004 -15.929 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.522 -16.729 -3.506 1.00 0.00 H new ATOM 402 N ALA A 27 11.762 -20.804 -2.671 1.00 0.00 N ATOM 403 CA ALA A 27 12.580 -21.813 -2.004 1.00 0.00 C ATOM 404 C ALA A 27 13.890 -21.241 -1.460 1.00 0.00 C ATOM 405 O ALA A 27 14.775 -21.995 -1.053 1.00 0.00 O ATOM 406 CB ALA A 27 12.864 -22.967 -2.953 1.00 0.00 C ATOM 0 H ALA A 27 11.858 -20.786 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 27 12.010 -22.174 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.475 -23.714 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.924 -23.420 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.398 -22.596 -3.828 1.00 0.00 H new ATOM 412 N GLN A 28 14.029 -19.918 -1.477 1.00 0.00 N ATOM 413 CA GLN A 28 15.250 -19.267 -1.007 1.00 0.00 C ATOM 414 C GLN A 28 16.436 -19.587 -1.914 1.00 0.00 C ATOM 415 O GLN A 28 17.563 -19.771 -1.452 1.00 0.00 O ATOM 416 CB GLN A 28 15.563 -19.693 0.430 1.00 0.00 C ATOM 417 CG GLN A 28 14.370 -19.603 1.368 1.00 0.00 C ATOM 418 CD GLN A 28 14.289 -18.268 2.083 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.301 -17.735 2.540 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.083 -17.721 2.184 1.00 0.00 N ATOM 0 H GLN A 28 13.311 -19.275 -1.811 1.00 0.00 H new ATOM 0 HA GLN A 28 15.082 -18.190 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.932 -20.719 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.367 -19.068 0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.453 -19.763 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.432 -20.403 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.272 -18.198 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.968 -16.824 2.655 1.00 0.00 H new ATOM 429 N GLN A 29 16.166 -19.609 -3.214 1.00 0.00 N ATOM 430 CA GLN A 29 17.190 -19.857 -4.223 1.00 0.00 C ATOM 431 C GLN A 29 17.286 -18.635 -5.132 1.00 0.00 C ATOM 432 O GLN A 29 16.265 -18.070 -5.513 1.00 0.00 O ATOM 433 CB GLN A 29 16.851 -21.104 -5.045 1.00 0.00 C ATOM 434 CG GLN A 29 16.977 -22.405 -4.266 1.00 0.00 C ATOM 435 CD GLN A 29 16.595 -23.617 -5.095 1.00 0.00 C ATOM 436 OE1 GLN A 29 17.135 -23.838 -6.178 1.00 0.00 O ATOM 437 NE2 GLN A 29 15.657 -24.411 -4.589 1.00 0.00 N ATOM 0 H GLN A 29 15.234 -19.456 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 29 18.148 -20.031 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.832 -21.014 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.509 -21.146 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.003 -22.517 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.341 -22.358 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.235 -24.191 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.359 -25.240 -5.103 1.00 0.00 H new ATOM 446 N PHE A 30 18.500 -18.210 -5.461 1.00 0.00 N ATOM 447 CA PHE A 30 18.678 -17.029 -6.306 1.00 0.00 C ATOM 448 C PHE A 30 18.814 -17.406 -7.779 1.00 0.00 C ATOM 449 O PHE A 30 19.677 -18.202 -8.151 1.00 0.00 O ATOM 450 CB PHE A 30 19.912 -16.239 -5.862 1.00 0.00 C ATOM 451 CG PHE A 30 19.700 -15.451 -4.599 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.919 -16.033 -3.361 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.286 -14.130 -4.652 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.727 -15.311 -2.197 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.093 -13.403 -3.492 1.00 0.00 C ATOM 456 CZ PHE A 30 19.314 -13.994 -2.263 1.00 0.00 C ATOM 0 H PHE A 30 19.367 -18.656 -5.162 1.00 0.00 H new ATOM 0 HA PHE A 30 17.788 -16.410 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.742 -16.930 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.204 -15.557 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.243 -17.062 -3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.112 -13.663 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.900 -15.776 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.770 -12.374 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.164 -13.428 -1.356 1.00 0.00 H new ATOM 466 N VAL A 31 17.959 -16.822 -8.615 1.00 0.00 N ATOM 467 CA VAL A 31 17.986 -17.084 -10.047 1.00 0.00 C ATOM 468 C VAL A 31 17.955 -15.775 -10.833 1.00 0.00 C ATOM 469 O VAL A 31 17.399 -14.779 -10.372 1.00 0.00 O ATOM 470 CB VAL A 31 16.803 -17.967 -10.490 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.968 -19.388 -9.972 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.485 -17.370 -10.025 1.00 0.00 C ATOM 0 H VAL A 31 17.238 -16.163 -8.322 1.00 0.00 H new ATOM 0 HA VAL A 31 18.913 -17.618 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 31 16.793 -18.004 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.122 -19.994 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.891 -19.814 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.009 -19.376 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.662 -18.008 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.482 -17.297 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.364 -16.376 -10.456 1.00 0.00 H new ATOM 482 N SER A 32 18.584 -15.772 -12.002 1.00 0.00 N ATOM 483 CA SER A 32 18.652 -14.569 -12.827 1.00 0.00 C ATOM 484 C SER A 32 17.301 -14.228 -13.457 1.00 0.00 C ATOM 485 O SER A 32 16.578 -15.103 -13.934 1.00 0.00 O ATOM 486 CB SER A 32 19.713 -14.733 -13.916 1.00 0.00 C ATOM 487 OG SER A 32 21.011 -14.815 -13.353 1.00 0.00 O ATOM 0 H SER A 32 19.053 -16.585 -12.400 1.00 0.00 H new ATOM 0 HA SER A 32 18.928 -13.741 -12.173 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.507 -15.632 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.665 -13.890 -14.606 1.00 0.00 H new ATOM 0 HG SER A 32 21.672 -14.921 -14.069 1.00 0.00 H new ATOM 493 N THR A 33 16.984 -12.934 -13.456 1.00 0.00 N ATOM 494 CA THR A 33 15.735 -12.425 -14.019 1.00 0.00 C ATOM 495 C THR A 33 15.970 -11.071 -14.683 1.00 0.00 C ATOM 496 O THR A 33 16.972 -10.407 -14.412 1.00 0.00 O ATOM 497 CB THR A 33 14.673 -12.294 -12.929 1.00 0.00 C ATOM 498 OG1 THR A 33 13.561 -11.552 -13.398 1.00 0.00 O ATOM 499 CG2 THR A 33 15.185 -11.613 -11.678 1.00 0.00 C ATOM 0 H THR A 33 17.586 -12.209 -13.065 1.00 0.00 H new ATOM 0 HA THR A 33 15.381 -13.131 -14.770 1.00 0.00 H new ATOM 0 HB THR A 33 14.387 -13.315 -12.678 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.055 -12.092 -14.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.382 -11.551 -10.943 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.013 -12.188 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.529 -10.609 -11.925 1.00 0.00 H new ATOM 507 N LYS A 34 15.056 -10.659 -15.556 1.00 0.00 N ATOM 508 CA LYS A 34 15.212 -9.389 -16.251 1.00 0.00 C ATOM 509 C LYS A 34 13.894 -8.629 -16.378 1.00 0.00 C ATOM 510 O LYS A 34 12.812 -9.218 -16.389 1.00 0.00 O ATOM 511 CB LYS A 34 15.796 -9.634 -17.643 1.00 0.00 C ATOM 512 CG LYS A 34 16.671 -8.498 -18.148 1.00 0.00 C ATOM 513 CD LYS A 34 15.937 -7.631 -19.159 1.00 0.00 C ATOM 514 CE LYS A 34 15.867 -8.301 -20.522 1.00 0.00 C ATOM 515 NZ LYS A 34 17.191 -8.311 -21.203 1.00 0.00 N ATOM 0 H LYS A 34 14.212 -11.178 -15.796 1.00 0.00 H new ATOM 0 HA LYS A 34 15.889 -8.774 -15.658 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.383 -10.552 -17.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.979 -9.792 -18.347 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.992 -7.884 -17.307 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.572 -8.908 -18.605 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.928 -7.427 -18.800 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.443 -6.670 -19.251 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.511 -9.324 -20.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.141 -7.780 -21.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.063 -8.553 -22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.628 -7.370 -21.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.808 -9.017 -20.752 1.00 0.00 H new ATOM 529 N ILE A 35 14.014 -7.310 -16.499 1.00 0.00 N ATOM 530 CA ILE A 35 12.868 -6.420 -16.652 1.00 0.00 C ATOM 531 C ILE A 35 13.194 -5.371 -17.711 1.00 0.00 C ATOM 532 O ILE A 35 14.213 -4.686 -17.611 1.00 0.00 O ATOM 533 CB ILE A 35 12.511 -5.727 -15.317 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.220 -4.917 -15.452 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.652 -4.836 -14.851 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.986 -5.663 -14.990 1.00 0.00 C ATOM 0 H ILE A 35 14.912 -6.827 -16.494 1.00 0.00 H new ATOM 0 HA ILE A 35 12.005 -7.011 -16.960 1.00 0.00 H new ATOM 0 HB ILE A 35 12.351 -6.502 -14.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.316 -3.997 -14.875 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.090 -4.627 -16.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.380 -4.358 -13.910 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.548 -5.439 -14.706 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.847 -4.071 -15.603 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.109 -5.028 -15.115 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.865 -6.569 -15.584 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.094 -5.930 -13.939 1.00 0.00 H new ATOM 548 N ASN A 36 12.351 -5.253 -18.735 1.00 0.00 N ATOM 549 CA ASN A 36 12.594 -4.297 -19.814 1.00 0.00 C ATOM 550 C ASN A 36 11.978 -2.940 -19.493 1.00 0.00 C ATOM 551 O ASN A 36 10.770 -2.830 -19.293 1.00 0.00 O ATOM 552 CB ASN A 36 12.006 -4.829 -21.120 1.00 0.00 C ATOM 553 CG ASN A 36 12.631 -4.182 -22.339 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.098 -3.044 -22.280 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.645 -4.905 -23.454 1.00 0.00 N ATOM 0 H ASN A 36 11.499 -5.803 -18.840 1.00 0.00 H new ATOM 0 HA ASN A 36 13.671 -4.171 -19.920 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.153 -5.908 -21.169 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.930 -4.653 -21.130 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.054 -4.521 -24.306 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.247 -5.844 -23.458 1.00 0.00 H new ATOM 562 N LEU A 37 12.813 -1.911 -19.445 1.00 0.00 N ATOM 563 CA LEU A 37 12.345 -0.563 -19.144 1.00 0.00 C ATOM 564 C LEU A 37 11.927 0.193 -20.406 1.00 0.00 C ATOM 565 O LEU A 37 11.278 1.235 -20.318 1.00 0.00 O ATOM 566 CB LEU A 37 13.429 0.213 -18.397 1.00 0.00 C ATOM 567 CG LEU A 37 13.919 -0.457 -17.112 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.030 -1.452 -17.416 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.391 0.587 -16.110 1.00 0.00 C ATOM 0 H LEU A 37 13.817 -1.983 -19.610 1.00 0.00 H new ATOM 0 HA LEU A 37 11.462 -0.654 -18.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.279 0.357 -19.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.045 1.203 -18.152 1.00 0.00 H new ATOM 0 HG LEU A 37 13.085 -1.002 -16.670 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.365 -1.918 -16.489 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.656 -2.220 -18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.866 -0.932 -17.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.736 0.091 -15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.210 1.162 -16.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.566 1.257 -15.866 1.00 0.00 H new ATOM 581 N ASP A 38 12.329 -0.303 -21.576 1.00 0.00 N ATOM 582 CA ASP A 38 12.007 0.370 -22.831 1.00 0.00 C ATOM 583 C ASP A 38 10.494 0.537 -23.019 1.00 0.00 C ATOM 584 O ASP A 38 10.029 1.600 -23.429 1.00 0.00 O ATOM 585 CB ASP A 38 12.617 -0.386 -24.021 1.00 0.00 C ATOM 586 CG ASP A 38 11.747 -1.526 -24.518 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.228 -2.289 -23.678 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.586 -1.655 -25.750 1.00 0.00 O ATOM 0 H ASP A 38 12.873 -1.160 -21.680 1.00 0.00 H new ATOM 0 HA ASP A 38 12.443 1.368 -22.786 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.788 0.314 -24.838 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.591 -0.781 -23.731 1.00 0.00 H new ATOM 593 N ASP A 39 9.721 -0.502 -22.711 1.00 0.00 N ATOM 594 CA ASP A 39 8.265 -0.426 -22.843 1.00 0.00 C ATOM 595 C ASP A 39 7.607 0.006 -21.536 1.00 0.00 C ATOM 596 O ASP A 39 6.419 0.323 -21.510 1.00 0.00 O ATOM 597 CB ASP A 39 7.672 -1.757 -23.298 1.00 0.00 C ATOM 598 CG ASP A 39 8.104 -2.913 -22.421 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.314 -3.221 -22.398 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.233 -3.509 -21.753 1.00 0.00 O ATOM 0 H ASP A 39 10.072 -1.398 -22.372 1.00 0.00 H new ATOM 0 HA ASP A 39 8.060 0.326 -23.605 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.584 -1.687 -23.293 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.974 -1.953 -24.327 1.00 0.00 H new ATOM 605 N HIS A 40 8.376 0.018 -20.449 1.00 0.00 N ATOM 606 CA HIS A 40 7.850 0.414 -19.146 1.00 0.00 C ATOM 607 C HIS A 40 8.191 1.873 -18.876 1.00 0.00 C ATOM 608 O HIS A 40 7.309 2.729 -18.814 1.00 0.00 O ATOM 609 CB HIS A 40 8.433 -0.477 -18.043 1.00 0.00 C ATOM 610 CG HIS A 40 7.645 -1.729 -17.806 1.00 0.00 C ATOM 611 ND1 HIS A 40 8.002 -3.034 -17.889 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.316 -1.721 -17.440 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 6.892 -3.780 -17.574 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.889 -2.963 -17.308 1.00 0.00 N flip ATOM 0 H HIS A 40 9.362 -0.241 -20.445 1.00 0.00 H new ATOM 0 HA HIS A 40 6.767 0.295 -19.151 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.456 -0.746 -18.307 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.482 0.093 -17.115 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.923 -3.395 -18.139 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.717 -0.836 -17.285 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.847 -4.859 -17.548 1.00 0.00 H new ATOM 623 N ILE A 41 9.483 2.151 -18.733 1.00 0.00 N ATOM 624 CA ILE A 41 9.947 3.507 -18.495 1.00 0.00 C ATOM 625 C ILE A 41 10.008 4.283 -19.813 1.00 0.00 C ATOM 626 O ILE A 41 10.234 3.706 -20.875 1.00 0.00 O ATOM 627 CB ILE A 41 11.328 3.513 -17.794 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.203 2.935 -16.380 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.911 4.921 -17.738 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.860 1.461 -16.354 1.00 0.00 C ATOM 0 H ILE A 41 10.225 1.453 -18.778 1.00 0.00 H new ATOM 0 HA ILE A 41 9.236 3.998 -17.830 1.00 0.00 H new ATOM 0 HB ILE A 41 12.007 2.890 -18.376 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.142 3.090 -15.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.436 3.487 -15.838 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.880 4.894 -17.241 1.00 0.00 H new ATOM 0 HG22 ILE A 41 12.034 5.305 -18.751 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.236 5.572 -17.182 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.788 1.122 -15.320 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.906 1.301 -16.856 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.639 0.897 -16.867 1.00 0.00 H new ATOM 642 N ALA A 42 9.779 5.590 -19.732 1.00 0.00 N ATOM 643 CA ALA A 42 9.791 6.450 -20.921 1.00 0.00 C ATOM 644 C ALA A 42 10.432 7.808 -20.642 1.00 0.00 C ATOM 645 O ALA A 42 10.732 8.146 -19.497 1.00 0.00 O ATOM 646 CB ALA A 42 8.374 6.644 -21.438 1.00 0.00 C ATOM 0 H ALA A 42 9.583 6.080 -18.859 1.00 0.00 H new ATOM 0 HA ALA A 42 10.395 5.950 -21.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.393 7.284 -22.320 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.947 5.676 -21.700 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.765 7.112 -20.664 1.00 0.00 H new ATOM 652 N ASN A 43 10.653 8.572 -21.711 1.00 0.00 N ATOM 653 CA ASN A 43 11.267 9.894 -21.612 1.00 0.00 C ATOM 654 C ASN A 43 10.268 10.990 -21.988 1.00 0.00 C ATOM 655 O ASN A 43 9.856 11.094 -23.142 1.00 0.00 O ATOM 656 CB ASN A 43 12.491 9.965 -22.528 1.00 0.00 C ATOM 657 CG ASN A 43 13.142 11.332 -22.533 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.846 11.700 -21.594 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.909 12.091 -23.597 1.00 0.00 N ATOM 0 H ASN A 43 10.413 8.294 -22.663 1.00 0.00 H new ATOM 0 HA ASN A 43 11.577 10.055 -20.579 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.221 9.221 -22.209 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.194 9.705 -23.544 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.321 13.022 -23.659 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.318 11.743 -24.352 1.00 0.00 H new ATOM 666 N ILE A 44 9.893 11.809 -21.011 1.00 0.00 N ATOM 667 CA ILE A 44 8.951 12.900 -21.247 1.00 0.00 C ATOM 668 C ILE A 44 9.633 14.259 -21.083 1.00 0.00 C ATOM 669 O ILE A 44 9.652 14.827 -19.992 1.00 0.00 O ATOM 670 CB ILE A 44 7.735 12.815 -20.297 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.950 11.527 -20.559 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.834 14.034 -20.464 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.689 10.273 -20.142 1.00 0.00 C ATOM 0 H ILE A 44 10.226 11.739 -20.049 1.00 0.00 H new ATOM 0 HA ILE A 44 8.598 12.799 -22.273 1.00 0.00 H new ATOM 0 HB ILE A 44 8.098 12.800 -19.270 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.001 11.574 -20.025 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.715 11.464 -21.621 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.984 13.954 -19.786 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.398 14.938 -20.234 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.475 14.083 -21.492 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.073 9.399 -20.357 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.626 10.202 -20.695 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.901 10.314 -19.074 1.00 0.00 H new ATOM 685 N ASP A 45 10.191 14.771 -22.178 1.00 0.00 N ATOM 686 CA ASP A 45 10.875 16.065 -22.164 1.00 0.00 C ATOM 687 C ASP A 45 12.178 15.986 -21.376 1.00 0.00 C ATOM 688 O ASP A 45 12.561 16.937 -20.695 1.00 0.00 O ATOM 689 CB ASP A 45 9.971 17.145 -21.565 1.00 0.00 C ATOM 690 CG ASP A 45 10.413 18.543 -21.951 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.437 19.012 -21.410 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.738 19.168 -22.795 1.00 0.00 O ATOM 0 H ASP A 45 10.184 14.310 -23.088 1.00 0.00 H new ATOM 0 HA ASP A 45 11.108 16.329 -23.195 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.946 16.985 -21.900 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.970 17.053 -20.479 1.00 0.00 H new ATOM 697 N GLY A 46 12.867 14.856 -21.488 1.00 0.00 N ATOM 698 CA GLY A 46 14.129 14.687 -20.795 1.00 0.00 C ATOM 699 C GLY A 46 13.975 14.168 -19.376 1.00 0.00 C ATOM 700 O GLY A 46 14.967 13.999 -18.667 1.00 0.00 O ATOM 0 H GLY A 46 12.574 14.054 -22.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.755 13.997 -21.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.651 15.643 -20.769 1.00 0.00 H new ATOM 704 N THR A 47 12.739 13.909 -18.952 1.00 0.00 N ATOM 705 CA THR A 47 12.486 13.410 -17.605 1.00 0.00 C ATOM 706 C THR A 47 11.984 11.970 -17.634 1.00 0.00 C ATOM 707 O THR A 47 11.149 11.607 -18.462 1.00 0.00 O ATOM 708 CB THR A 47 11.459 14.298 -16.900 1.00 0.00 C ATOM 709 OG1 THR A 47 11.807 15.665 -17.026 1.00 0.00 O ATOM 710 CG2 THR A 47 11.317 13.994 -15.424 1.00 0.00 C ATOM 0 H THR A 47 11.902 14.036 -19.520 1.00 0.00 H new ATOM 0 HA THR A 47 13.428 13.434 -17.057 1.00 0.00 H new ATOM 0 HB THR A 47 10.509 14.086 -17.391 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.137 16.216 -16.570 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.573 14.659 -14.985 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.000 12.959 -15.295 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.276 14.144 -14.928 1.00 0.00 H new ATOM 718 N LEU A 48 12.529 11.150 -16.744 1.00 0.00 N ATOM 719 CA LEU A 48 12.167 9.739 -16.690 1.00 0.00 C ATOM 720 C LEU A 48 10.819 9.531 -16.008 1.00 0.00 C ATOM 721 O LEU A 48 10.640 9.828 -14.826 1.00 0.00 O ATOM 722 CB LEU A 48 13.249 8.945 -15.955 1.00 0.00 C ATOM 723 CG LEU A 48 14.514 8.663 -16.770 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.633 8.168 -15.868 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.228 7.649 -17.867 1.00 0.00 C ATOM 0 H LEU A 48 13.221 11.436 -16.052 1.00 0.00 H new ATOM 0 HA LEU A 48 12.085 9.379 -17.716 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.530 9.491 -15.054 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.824 7.995 -15.632 1.00 0.00 H new ATOM 0 HG LEU A 48 14.835 9.595 -17.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.523 7.973 -16.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.858 8.926 -15.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.321 7.249 -15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.139 7.461 -18.436 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.881 6.717 -17.420 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.459 8.040 -18.533 1.00 0.00 H new ATOM 737 N LYS A 49 9.878 9.006 -16.787 1.00 0.00 N ATOM 738 CA LYS A 49 8.529 8.728 -16.318 1.00 0.00 C ATOM 739 C LYS A 49 8.063 7.377 -16.848 1.00 0.00 C ATOM 740 O LYS A 49 8.639 6.845 -17.796 1.00 0.00 O ATOM 741 CB LYS A 49 7.561 9.823 -16.768 1.00 0.00 C ATOM 742 CG LYS A 49 8.135 11.225 -16.674 1.00 0.00 C ATOM 743 CD LYS A 49 7.039 12.255 -16.458 1.00 0.00 C ATOM 744 CE LYS A 49 7.564 13.490 -15.744 1.00 0.00 C ATOM 745 NZ LYS A 49 7.029 13.598 -14.359 1.00 0.00 N ATOM 0 H LYS A 49 10.033 8.761 -17.765 1.00 0.00 H new ATOM 0 HA LYS A 49 8.542 8.705 -15.228 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.263 9.631 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.658 9.769 -16.160 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.850 11.274 -15.853 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.682 11.459 -17.587 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.615 12.543 -17.420 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.232 11.812 -15.874 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.653 13.455 -15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.290 14.381 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.410 14.453 -13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.991 13.657 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.311 12.760 -13.811 1.00 0.00 H new ATOM 759 N TRP A 50 7.022 6.824 -16.240 1.00 0.00 N ATOM 760 CA TRP A 50 6.496 5.530 -16.666 1.00 0.00 C ATOM 761 C TRP A 50 5.469 5.693 -17.789 1.00 0.00 C ATOM 762 O TRP A 50 4.464 6.384 -17.630 1.00 0.00 O ATOM 763 CB TRP A 50 5.881 4.794 -15.472 1.00 0.00 C ATOM 764 CG TRP A 50 6.927 4.200 -14.583 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.624 3.047 -14.799 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.416 4.740 -13.351 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.524 2.843 -13.784 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.412 3.866 -12.881 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.112 5.878 -12.600 1.00 0.00 C ATOM 770 CZ2 TRP A 50 9.106 4.095 -11.698 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.803 6.103 -11.425 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.789 5.215 -10.984 1.00 0.00 C ATOM 0 H TRP A 50 6.526 7.246 -15.455 1.00 0.00 H new ATOM 0 HA TRP A 50 7.322 4.936 -17.057 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.266 5.486 -14.897 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.221 4.005 -15.833 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.487 2.391 -15.646 1.00 0.00 H new ATOM 0 HE1 TRP A 50 9.171 2.058 -13.714 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.351 6.569 -12.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.869 3.411 -11.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.578 6.980 -10.837 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.310 5.419 -10.060 1.00 0.00 H new ATOM 783 N GLN A 51 5.740 5.055 -18.927 1.00 0.00 N ATOM 784 CA GLN A 51 4.853 5.127 -20.089 1.00 0.00 C ATOM 785 C GLN A 51 5.370 4.210 -21.199 1.00 0.00 C ATOM 786 O GLN A 51 6.579 4.053 -21.358 1.00 0.00 O ATOM 787 CB GLN A 51 4.768 6.577 -20.589 1.00 0.00 C ATOM 788 CG GLN A 51 4.013 6.751 -21.899 1.00 0.00 C ATOM 789 CD GLN A 51 4.285 8.097 -22.544 1.00 0.00 C ATOM 790 OE1 GLN A 51 5.292 8.742 -22.255 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.386 8.530 -23.421 1.00 0.00 N ATOM 0 H GLN A 51 6.570 4.480 -19.070 1.00 0.00 H new ATOM 0 HA GLN A 51 3.856 4.796 -19.800 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.285 7.184 -19.823 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.779 6.965 -20.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.297 5.956 -22.588 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.943 6.647 -21.716 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.565 7.963 -23.632 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.517 9.429 -23.884 1.00 0.00 H new ATOM 800 N PRO A 52 4.468 3.572 -21.974 1.00 0.00 N ATOM 801 CA PRO A 52 4.872 2.658 -23.050 1.00 0.00 C ATOM 802 C PRO A 52 5.634 3.362 -24.168 1.00 0.00 C ATOM 803 O PRO A 52 5.131 3.531 -25.280 1.00 0.00 O ATOM 804 CB PRO A 52 3.552 2.080 -23.564 1.00 0.00 C ATOM 805 CG PRO A 52 2.507 3.056 -23.138 1.00 0.00 C ATOM 806 CD PRO A 52 3.001 3.671 -21.856 1.00 0.00 C ATOM 0 HA PRO A 52 5.561 1.896 -22.687 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.567 1.967 -24.648 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.364 1.092 -23.143 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.353 3.819 -23.901 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.549 2.559 -22.987 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.675 4.706 -21.755 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.631 3.133 -20.983 1.00 0.00 H new ATOM 814 N SER A 53 6.863 3.748 -23.853 1.00 0.00 N ATOM 815 CA SER A 53 7.752 4.419 -24.791 1.00 0.00 C ATOM 816 C SER A 53 9.179 4.329 -24.256 1.00 0.00 C ATOM 817 O SER A 53 9.410 4.549 -23.071 1.00 0.00 O ATOM 818 CB SER A 53 7.334 5.880 -24.980 1.00 0.00 C ATOM 819 OG SER A 53 6.967 6.469 -23.745 1.00 0.00 O ATOM 0 H SER A 53 7.274 3.603 -22.931 1.00 0.00 H new ATOM 0 HA SER A 53 7.695 3.933 -25.765 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.155 6.442 -25.425 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.497 5.935 -25.676 1.00 0.00 H new ATOM 0 HG SER A 53 6.985 7.445 -23.830 1.00 0.00 H new ATOM 825 N ASN A 54 10.128 3.963 -25.112 1.00 0.00 N ATOM 826 CA ASN A 54 11.518 3.806 -24.672 1.00 0.00 C ATOM 827 C ASN A 54 12.255 5.136 -24.594 1.00 0.00 C ATOM 828 O ASN A 54 12.579 5.744 -25.614 1.00 0.00 O ATOM 829 CB ASN A 54 12.294 2.855 -25.596 1.00 0.00 C ATOM 830 CG ASN A 54 11.404 1.897 -26.364 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.546 1.228 -25.789 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.613 1.821 -27.672 1.00 0.00 N ATOM 0 H ASN A 54 9.968 3.771 -26.101 1.00 0.00 H new ATOM 0 HA ASN A 54 11.469 3.380 -23.670 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.876 3.444 -26.304 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.003 2.281 -25.000 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.051 1.189 -28.242 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.336 2.394 -28.107 1.00 0.00 H new ATOM 839 N PHE A 55 12.548 5.557 -23.369 1.00 0.00 N ATOM 840 CA PHE A 55 13.283 6.791 -23.129 1.00 0.00 C ATOM 841 C PHE A 55 14.537 6.845 -24.007 1.00 0.00 C ATOM 842 O PHE A 55 14.999 7.918 -24.392 1.00 0.00 O ATOM 843 CB PHE A 55 13.666 6.887 -21.648 1.00 0.00 C ATOM 844 CG PHE A 55 14.384 5.670 -21.136 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.762 5.569 -21.238 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.680 4.624 -20.560 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.424 4.447 -20.777 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.337 3.499 -20.099 1.00 0.00 C ATOM 849 CZ PHE A 55 15.711 3.410 -20.208 1.00 0.00 C ATOM 0 H PHE A 55 12.285 5.056 -22.520 1.00 0.00 H new ATOM 0 HA PHE A 55 12.646 7.637 -23.387 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.299 7.762 -21.500 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.764 7.043 -21.057 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.325 6.376 -21.683 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.606 4.689 -20.470 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.499 4.381 -20.862 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.777 2.690 -19.654 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.227 2.532 -19.849 1.00 0.00 H new ATOM 859 N SER A 56 15.075 5.664 -24.321 1.00 0.00 N ATOM 860 CA SER A 56 16.282 5.537 -25.140 1.00 0.00 C ATOM 861 C SER A 56 16.222 6.374 -26.421 1.00 0.00 C ATOM 862 O SER A 56 17.254 6.642 -27.036 1.00 0.00 O ATOM 863 CB SER A 56 16.520 4.072 -25.509 1.00 0.00 C ATOM 864 OG SER A 56 15.411 3.533 -26.209 1.00 0.00 O ATOM 0 H SER A 56 14.687 4.771 -24.015 1.00 0.00 H new ATOM 0 HA SER A 56 17.107 5.915 -24.536 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.416 3.990 -26.124 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.700 3.491 -24.604 1.00 0.00 H new ATOM 0 HG SER A 56 15.590 2.596 -26.434 1.00 0.00 H new ATOM 870 N GLN A 57 15.023 6.773 -26.837 1.00 0.00 N ATOM 871 CA GLN A 57 14.873 7.554 -28.062 1.00 0.00 C ATOM 872 C GLN A 57 15.609 8.888 -27.964 1.00 0.00 C ATOM 873 O GLN A 57 16.093 9.410 -28.969 1.00 0.00 O ATOM 874 CB GLN A 57 13.391 7.796 -28.362 1.00 0.00 C ATOM 875 CG GLN A 57 12.613 6.526 -28.669 1.00 0.00 C ATOM 876 CD GLN A 57 12.552 6.223 -30.154 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.572 5.948 -30.787 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.351 6.271 -30.720 1.00 0.00 N ATOM 0 H GLN A 57 14.150 6.571 -26.350 1.00 0.00 H new ATOM 0 HA GLN A 57 15.315 6.981 -28.877 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.933 8.294 -27.507 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.308 8.476 -29.210 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.075 5.687 -28.150 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.599 6.622 -28.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.532 6.503 -30.159 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.248 6.076 -31.716 1.00 0.00 H new ATOM 887 N THR A 58 15.708 9.432 -26.755 1.00 0.00 N ATOM 888 CA THR A 58 16.403 10.700 -26.552 1.00 0.00 C ATOM 889 C THR A 58 17.454 10.592 -25.448 1.00 0.00 C ATOM 890 O THR A 58 18.124 11.574 -25.128 1.00 0.00 O ATOM 891 CB THR A 58 15.415 11.812 -26.182 1.00 0.00 C ATOM 892 OG1 THR A 58 15.082 11.743 -24.809 1.00 0.00 O ATOM 893 CG2 THR A 58 14.120 11.770 -26.963 1.00 0.00 C ATOM 0 H THR A 58 15.320 9.019 -25.907 1.00 0.00 H new ATOM 0 HA THR A 58 16.897 10.944 -27.493 1.00 0.00 H new ATOM 0 HB THR A 58 15.932 12.740 -26.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.190 12.628 -24.401 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.475 12.589 -26.643 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.333 11.871 -28.027 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.617 10.820 -26.782 1.00 0.00 H new ATOM 901 N CYS A 59 17.585 9.413 -24.846 1.00 0.00 N ATOM 902 CA CYS A 59 18.543 9.226 -23.762 1.00 0.00 C ATOM 903 C CYS A 59 19.705 8.325 -24.166 1.00 0.00 C ATOM 904 O CYS A 59 19.562 7.436 -25.007 1.00 0.00 O ATOM 905 CB CYS A 59 17.842 8.643 -22.534 1.00 0.00 C ATOM 906 SG CYS A 59 16.212 9.379 -22.190 1.00 0.00 S ATOM 0 H CYS A 59 17.046 8.581 -25.087 1.00 0.00 H new ATOM 0 HA CYS A 59 18.954 10.207 -23.523 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.722 7.569 -22.673 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.483 8.782 -21.663 1.00 0.00 H new ATOM 911 N TYR A 60 20.866 8.587 -23.569 1.00 0.00 N ATOM 912 CA TYR A 60 22.080 7.823 -23.848 1.00 0.00 C ATOM 913 C TYR A 60 22.894 7.645 -22.568 1.00 0.00 C ATOM 914 O TYR A 60 22.740 8.410 -21.614 1.00 0.00 O ATOM 915 CB TYR A 60 22.927 8.527 -24.913 1.00 0.00 C ATOM 916 CG TYR A 60 23.388 9.909 -24.503 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.475 10.940 -24.334 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.734 10.181 -24.281 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.886 12.203 -23.955 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.152 11.443 -23.901 1.00 0.00 C ATOM 921 CZ TYR A 60 24.224 12.450 -23.740 1.00 0.00 C ATOM 922 OH TYR A 60 24.635 13.708 -23.359 1.00 0.00 O ATOM 0 H TYR A 60 20.992 9.331 -22.882 1.00 0.00 H new ATOM 0 HA TYR A 60 21.791 6.842 -24.226 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.800 7.913 -25.136 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.348 8.604 -25.833 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.425 10.752 -24.502 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.463 9.395 -24.407 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.161 12.994 -23.828 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.200 11.639 -23.731 1.00 0.00 H new ATOM 0 HH TYR A 60 24.172 14.381 -23.900 1.00 0.00 H new ATOM 932 N ASN A 61 23.743 6.622 -22.546 1.00 0.00 N ATOM 933 CA ASN A 61 24.568 6.339 -21.376 1.00 0.00 C ATOM 934 C ASN A 61 23.694 5.968 -20.182 1.00 0.00 C ATOM 935 O ASN A 61 23.884 6.474 -19.075 1.00 0.00 O ATOM 936 CB ASN A 61 25.442 7.548 -21.032 1.00 0.00 C ATOM 937 CG ASN A 61 26.357 7.945 -22.173 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.661 7.139 -23.052 1.00 0.00 O ATOM 939 ND2 ASN A 61 26.803 9.196 -22.165 1.00 0.00 N ATOM 0 H ASN A 61 23.878 5.976 -23.324 1.00 0.00 H new ATOM 0 HA ASN A 61 25.215 5.494 -21.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.803 8.392 -20.772 1.00 0.00 H new ATOM 0 HB3 ASN A 61 26.042 7.320 -20.151 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.423 9.521 -22.907 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.526 9.831 -21.417 1.00 0.00 H new ATOM 946 N SER A 62 22.728 5.087 -20.420 1.00 0.00 N ATOM 947 CA SER A 62 21.821 4.643 -19.370 1.00 0.00 C ATOM 948 C SER A 62 22.555 3.777 -18.355 1.00 0.00 C ATOM 949 O SER A 62 23.351 2.912 -18.720 1.00 0.00 O ATOM 950 CB SER A 62 20.642 3.874 -19.968 1.00 0.00 C ATOM 951 OG SER A 62 19.731 4.753 -20.606 1.00 0.00 O ATOM 0 H SER A 62 22.554 4.666 -21.333 1.00 0.00 H new ATOM 0 HA SER A 62 21.437 5.525 -18.858 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.009 3.141 -20.686 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.128 3.321 -19.182 1.00 0.00 H new ATOM 0 HG SER A 62 19.534 4.422 -21.507 1.00 0.00 H new ATOM 957 N ALA A 63 22.280 4.017 -17.079 1.00 0.00 N ATOM 958 CA ALA A 63 22.916 3.260 -16.009 1.00 0.00 C ATOM 959 C ALA A 63 21.949 2.980 -14.866 1.00 0.00 C ATOM 960 O ALA A 63 21.015 3.743 -14.626 1.00 0.00 O ATOM 961 CB ALA A 63 24.134 4.007 -15.492 1.00 0.00 C ATOM 0 H ALA A 63 21.622 4.728 -16.761 1.00 0.00 H new ATOM 0 HA ALA A 63 23.229 2.301 -16.422 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.601 3.432 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.848 4.146 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.828 4.980 -15.108 1.00 0.00 H new ATOM 967 N ILE A 64 22.180 1.877 -14.162 1.00 0.00 N ATOM 968 CA ILE A 64 21.329 1.501 -13.046 1.00 0.00 C ATOM 969 C ILE A 64 22.145 1.163 -11.802 1.00 0.00 C ATOM 970 O ILE A 64 23.178 0.499 -11.875 1.00 0.00 O ATOM 971 CB ILE A 64 20.417 0.317 -13.421 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.385 0.794 -14.444 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.725 -0.253 -12.188 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.372 -0.253 -14.829 1.00 0.00 C ATOM 0 H ILE A 64 22.948 1.231 -14.346 1.00 0.00 H new ATOM 0 HA ILE A 64 20.705 2.364 -12.815 1.00 0.00 H new ATOM 0 HB ILE A 64 21.022 -0.480 -13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.861 1.660 -14.039 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.906 1.128 -15.341 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.088 -1.087 -12.481 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.475 -0.602 -11.478 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.117 0.522 -11.721 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.677 0.164 -15.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.883 -1.111 -15.265 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.822 -0.571 -13.943 1.00 0.00 H new ATOM 986 N GLN A 65 21.648 1.618 -10.658 1.00 0.00 N ATOM 987 CA GLN A 65 22.292 1.371 -9.373 1.00 0.00 C ATOM 988 C GLN A 65 21.235 0.988 -8.349 1.00 0.00 C ATOM 989 O GLN A 65 20.398 1.808 -7.973 1.00 0.00 O ATOM 990 CB GLN A 65 23.048 2.614 -8.901 1.00 0.00 C ATOM 991 CG GLN A 65 24.016 3.172 -9.932 1.00 0.00 C ATOM 992 CD GLN A 65 24.508 4.559 -9.572 1.00 0.00 C ATOM 993 OE1 GLN A 65 23.782 5.353 -8.973 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.749 4.861 -9.936 1.00 0.00 N ATOM 0 H GLN A 65 20.790 2.167 -10.594 1.00 0.00 H new ATOM 0 HA GLN A 65 23.008 0.557 -9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.327 3.388 -8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.600 2.369 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.869 2.500 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.527 3.204 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.317 4.173 -10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.134 5.781 -9.721 1.00 0.00 H new ATOM 1003 N GLY A 66 21.255 -0.268 -7.922 1.00 0.00 N ATOM 1004 CA GLY A 66 20.265 -0.729 -6.972 1.00 0.00 C ATOM 1005 C GLY A 66 18.883 -0.733 -7.590 1.00 0.00 C ATOM 1006 O GLY A 66 18.652 -1.410 -8.592 1.00 0.00 O ATOM 0 H GLY A 66 21.934 -0.970 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.520 -1.734 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.272 -0.086 -6.092 1.00 0.00 H new ATOM 1010 N SER A 67 17.957 0.007 -6.996 1.00 0.00 N ATOM 1011 CA SER A 67 16.594 0.060 -7.507 1.00 0.00 C ATOM 1012 C SER A 67 16.328 1.331 -8.317 1.00 0.00 C ATOM 1013 O SER A 67 15.246 1.487 -8.883 1.00 0.00 O ATOM 1014 CB SER A 67 15.598 -0.036 -6.351 1.00 0.00 C ATOM 1015 OG SER A 67 15.451 1.213 -5.698 1.00 0.00 O ATOM 0 H SER A 67 18.123 0.575 -6.165 1.00 0.00 H new ATOM 0 HA SER A 67 16.466 -0.789 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.631 -0.369 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.937 -0.786 -5.636 1.00 0.00 H new ATOM 0 HG SER A 67 14.634 1.653 -6.013 1.00 0.00 H new ATOM 1021 N VAL A 68 17.306 2.233 -8.384 1.00 0.00 N ATOM 1022 CA VAL A 68 17.136 3.480 -9.136 1.00 0.00 C ATOM 1023 C VAL A 68 17.828 3.431 -10.499 1.00 0.00 C ATOM 1024 O VAL A 68 18.949 2.936 -10.624 1.00 0.00 O ATOM 1025 CB VAL A 68 17.673 4.697 -8.357 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.178 5.990 -8.986 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.265 4.624 -6.894 1.00 0.00 C ATOM 0 H VAL A 68 18.215 2.128 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 68 16.062 3.589 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 68 18.762 4.682 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.566 6.840 -8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.524 6.049 -10.018 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.088 6.010 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.655 5.493 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.178 4.611 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.670 3.715 -6.448 1.00 0.00 H new ATOM 1037 N LEU A 69 17.152 3.958 -11.516 1.00 0.00 N ATOM 1038 CA LEU A 69 17.696 3.996 -12.868 1.00 0.00 C ATOM 1039 C LEU A 69 18.206 5.399 -13.190 1.00 0.00 C ATOM 1040 O LEU A 69 17.463 6.379 -13.091 1.00 0.00 O ATOM 1041 CB LEU A 69 16.622 3.562 -13.879 1.00 0.00 C ATOM 1042 CG LEU A 69 16.850 3.998 -15.333 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.210 3.539 -15.832 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.744 3.459 -16.229 1.00 0.00 C ATOM 0 H LEU A 69 16.222 4.366 -11.427 1.00 0.00 H new ATOM 0 HA LEU A 69 18.534 3.302 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.546 2.475 -13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.661 3.956 -13.549 1.00 0.00 H new ATOM 0 HG LEU A 69 16.827 5.087 -15.368 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.346 3.861 -16.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.992 3.975 -15.210 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.269 2.452 -15.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.921 3.777 -17.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.736 2.370 -16.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.782 3.843 -15.891 1.00 0.00 H new ATOM 1056 N THR A 70 19.478 5.499 -13.566 1.00 0.00 N ATOM 1057 CA THR A 70 20.080 6.784 -13.897 1.00 0.00 C ATOM 1058 C THR A 70 20.457 6.824 -15.373 1.00 0.00 C ATOM 1059 O THR A 70 21.154 5.940 -15.865 1.00 0.00 O ATOM 1060 CB THR A 70 21.323 7.023 -13.036 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.096 6.598 -11.704 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.750 8.474 -12.989 1.00 0.00 C ATOM 0 H THR A 70 20.111 4.704 -13.649 1.00 0.00 H new ATOM 0 HA THR A 70 19.353 7.571 -13.696 1.00 0.00 H new ATOM 0 HB THR A 70 22.118 6.444 -13.507 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.901 6.757 -11.168 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.636 8.572 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.979 8.819 -13.997 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.943 9.078 -12.574 1.00 0.00 H new ATOM 1070 N SER A 71 19.979 7.838 -16.085 1.00 0.00 N ATOM 1071 CA SER A 71 20.264 7.955 -17.512 1.00 0.00 C ATOM 1072 C SER A 71 20.257 9.412 -17.966 1.00 0.00 C ATOM 1073 O SER A 71 19.586 10.254 -17.370 1.00 0.00 O ATOM 1074 CB SER A 71 19.252 7.141 -18.322 1.00 0.00 C ATOM 1075 OG SER A 71 19.235 7.548 -19.679 1.00 0.00 O ATOM 0 H SER A 71 19.398 8.585 -15.703 1.00 0.00 H new ATOM 0 HA SER A 71 21.264 7.557 -17.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.501 6.082 -18.261 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.258 7.260 -17.891 1.00 0.00 H new ATOM 0 HG SER A 71 19.387 6.770 -20.256 1.00 0.00 H new ATOM 1081 N THR A 72 20.996 9.702 -19.037 1.00 0.00 N ATOM 1082 CA THR A 72 21.050 11.055 -19.579 1.00 0.00 C ATOM 1083 C THR A 72 20.012 11.197 -20.689 1.00 0.00 C ATOM 1084 O THR A 72 19.983 10.395 -21.621 1.00 0.00 O ATOM 1085 CB THR A 72 22.449 11.350 -20.126 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.445 10.934 -19.208 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.685 12.815 -20.423 1.00 0.00 C ATOM 0 H THR A 72 21.562 9.020 -19.543 1.00 0.00 H new ATOM 0 HA THR A 72 20.831 11.769 -18.785 1.00 0.00 H new ATOM 0 HB THR A 72 22.513 10.793 -21.061 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.332 11.130 -19.577 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.696 12.950 -20.807 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.966 13.156 -21.168 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.564 13.396 -19.509 1.00 0.00 H new ATOM 1095 N CYS A 73 19.145 12.201 -20.585 1.00 0.00 N ATOM 1096 CA CYS A 73 18.099 12.392 -21.586 1.00 0.00 C ATOM 1097 C CYS A 73 18.103 13.795 -22.177 1.00 0.00 C ATOM 1098 O CYS A 73 18.299 14.784 -21.472 1.00 0.00 O ATOM 1099 CB CYS A 73 16.728 12.104 -20.977 1.00 0.00 C ATOM 1100 SG CYS A 73 16.492 10.379 -20.448 1.00 0.00 S ATOM 0 H CYS A 73 19.145 12.886 -19.829 1.00 0.00 H new ATOM 0 HA CYS A 73 18.307 11.692 -22.395 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.580 12.759 -20.118 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.959 12.357 -21.707 1.00 0.00 H new ATOM 1105 N GLU A 74 17.819 13.865 -23.474 1.00 0.00 N ATOM 1106 CA GLU A 74 17.740 15.139 -24.182 1.00 0.00 C ATOM 1107 C GLU A 74 16.440 15.868 -23.844 1.00 0.00 C ATOM 1108 O GLU A 74 15.383 15.247 -23.733 1.00 0.00 O ATOM 1109 CB GLU A 74 17.840 14.920 -25.694 1.00 0.00 C ATOM 1110 CG GLU A 74 18.047 16.204 -26.481 1.00 0.00 C ATOM 1111 CD GLU A 74 17.341 16.189 -27.823 1.00 0.00 C ATOM 1112 OE1 GLU A 74 17.842 15.519 -28.750 1.00 0.00 O ATOM 1113 OE2 GLU A 74 16.288 16.850 -27.947 1.00 0.00 O ATOM 0 H GLU A 74 17.639 13.049 -24.059 1.00 0.00 H new ATOM 0 HA GLU A 74 18.578 15.757 -23.859 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.666 14.240 -25.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.930 14.432 -26.043 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.684 17.048 -25.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.114 16.361 -26.638 1.00 0.00 H new ATOM 1120 N ARG A 75 16.524 17.184 -23.678 1.00 0.00 N ATOM 1121 CA ARG A 75 15.354 17.991 -23.353 1.00 0.00 C ATOM 1122 C ARG A 75 14.707 18.539 -24.623 1.00 0.00 C ATOM 1123 O ARG A 75 15.397 18.878 -25.583 1.00 0.00 O ATOM 1124 CB ARG A 75 15.750 19.136 -22.421 1.00 0.00 C ATOM 1125 CG ARG A 75 16.589 18.682 -21.238 1.00 0.00 C ATOM 1126 CD ARG A 75 16.809 19.806 -20.238 1.00 0.00 C ATOM 1127 NE ARG A 75 16.568 19.367 -18.865 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.372 19.014 -18.401 1.00 0.00 C ATOM 1129 NH1 ARG A 75 14.311 19.038 -19.198 1.00 0.00 N ATOM 1130 NH2 ARG A 75 15.236 18.631 -17.138 1.00 0.00 N ATOM 0 H ARG A 75 17.391 17.714 -23.763 1.00 0.00 H new ATOM 0 HA ARG A 75 14.626 17.358 -22.845 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.307 19.882 -22.988 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.848 19.624 -22.052 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.096 17.846 -20.742 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.553 18.318 -21.594 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.830 20.177 -20.327 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.146 20.638 -20.475 1.00 0.00 H new ATOM 0 HE ARG A 75 17.362 19.329 -18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 75 14.410 19.328 -20.171 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.396 18.766 -18.838 1.00 0.00 H new ATOM 0 HH21 ARG A 75 16.049 18.607 -16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.319 18.361 -16.783 1.00 0.00 H new ATOM 1144 N THR A 76 13.376 18.612 -24.628 1.00 0.00 N ATOM 1145 CA THR A 76 12.637 19.104 -25.791 1.00 0.00 C ATOM 1146 C THR A 76 13.160 20.459 -26.262 1.00 0.00 C ATOM 1147 O THR A 76 13.085 20.782 -27.448 1.00 0.00 O ATOM 1148 CB THR A 76 11.149 19.219 -25.460 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.651 17.991 -24.959 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.300 19.611 -26.650 1.00 0.00 C ATOM 0 H THR A 76 12.788 18.337 -23.841 1.00 0.00 H new ATOM 0 HA THR A 76 12.781 18.385 -26.598 1.00 0.00 H new ATOM 0 HB THR A 76 11.079 20.007 -24.711 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.934 18.167 -24.314 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.255 19.675 -26.346 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.628 20.579 -27.028 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.405 18.861 -27.434 1.00 0.00 H new ATOM 1158 N ASN A 77 13.683 21.250 -25.331 1.00 0.00 N ATOM 1159 CA ASN A 77 14.211 22.569 -25.665 1.00 0.00 C ATOM 1160 C ASN A 77 15.639 22.483 -26.204 1.00 0.00 C ATOM 1161 O ASN A 77 16.263 23.505 -26.491 1.00 0.00 O ATOM 1162 CB ASN A 77 14.169 23.481 -24.438 1.00 0.00 C ATOM 1163 CG ASN A 77 13.660 24.871 -24.766 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.696 25.348 -24.165 1.00 0.00 O ATOM 1165 ND2 ASN A 77 14.305 25.529 -25.722 1.00 0.00 N ATOM 0 H ASN A 77 13.753 21.003 -24.344 1.00 0.00 H new ATOM 0 HA ASN A 77 13.581 22.989 -26.449 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.529 23.033 -23.678 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.169 23.555 -24.010 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.007 26.468 -25.985 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.099 25.095 -26.193 1.00 0.00 H new ATOM 1172 N GLY A 78 16.151 21.264 -26.346 1.00 0.00 N ATOM 1173 CA GLY A 78 17.496 21.081 -26.854 1.00 0.00 C ATOM 1174 C GLY A 78 18.530 20.998 -25.756 1.00 0.00 C ATOM 1175 O GLY A 78 18.510 21.776 -24.802 1.00 0.00 O ATOM 0 H GLY A 78 15.658 20.401 -26.118 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.533 20.170 -27.451 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.744 21.908 -27.519 1.00 0.00 H new ATOM 1179 N GLY A 79 19.414 20.030 -25.892 1.00 0.00 N ATOM 1180 CA GLY A 79 20.453 19.808 -24.903 1.00 0.00 C ATOM 1181 C GLY A 79 20.328 18.438 -24.271 1.00 0.00 C ATOM 1182 O GLY A 79 19.488 17.647 -24.691 1.00 0.00 O ATOM 0 H GLY A 79 19.435 19.382 -26.680 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.432 19.906 -25.373 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.392 20.574 -24.130 1.00 0.00 H new ATOM 1186 N TYR A 80 21.157 18.148 -23.269 1.00 0.00 N ATOM 1187 CA TYR A 80 21.109 16.851 -22.593 1.00 0.00 C ATOM 1188 C TYR A 80 21.037 17.030 -21.079 1.00 0.00 C ATOM 1189 O TYR A 80 21.667 17.928 -20.519 1.00 0.00 O ATOM 1190 CB TYR A 80 22.334 16.002 -22.953 1.00 0.00 C ATOM 1191 CG TYR A 80 22.500 15.768 -24.438 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.470 15.225 -25.193 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.684 16.096 -25.085 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.613 15.017 -26.550 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.836 15.890 -26.442 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.797 15.352 -27.171 1.00 0.00 C ATOM 1197 OH TYR A 80 22.943 15.148 -28.523 1.00 0.00 O ATOM 0 H TYR A 80 21.865 18.788 -22.909 1.00 0.00 H new ATOM 0 HA TYR A 80 20.210 16.336 -22.931 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.229 16.492 -22.570 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.257 15.038 -22.449 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.541 14.961 -24.711 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.500 16.519 -24.518 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.801 14.594 -27.123 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.764 16.149 -26.930 1.00 0.00 H new ATOM 0 HH TYR A 80 23.836 15.438 -28.803 1.00 0.00 H new ATOM 1207 N ASN A 81 20.255 16.176 -20.426 1.00 0.00 N ATOM 1208 CA ASN A 81 20.089 16.234 -18.977 1.00 0.00 C ATOM 1209 C ASN A 81 19.715 14.859 -18.428 1.00 0.00 C ATOM 1210 O ASN A 81 18.808 14.201 -18.939 1.00 0.00 O ATOM 1211 CB ASN A 81 19.018 17.265 -18.606 1.00 0.00 C ATOM 1212 CG ASN A 81 19.059 17.644 -17.137 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.211 17.222 -16.351 1.00 0.00 O ATOM 1214 ND2 ASN A 81 20.048 18.447 -16.759 1.00 0.00 N ATOM 0 H ASN A 81 19.724 15.432 -20.879 1.00 0.00 H new ATOM 0 HA ASN A 81 21.036 16.539 -18.531 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.155 18.160 -19.213 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.034 16.864 -18.847 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.125 18.737 -15.784 1.00 0.00 H new ATOM 0 HD22 ASN A 81 20.730 18.774 -17.444 1.00 0.00 H new ATOM 1221 N THR A 82 20.429 14.425 -17.394 1.00 0.00 N ATOM 1222 CA THR A 82 20.185 13.122 -16.779 1.00 0.00 C ATOM 1223 C THR A 82 19.210 13.229 -15.614 1.00 0.00 C ATOM 1224 O THR A 82 19.333 14.114 -14.767 1.00 0.00 O ATOM 1225 CB THR A 82 21.495 12.489 -16.307 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.239 11.340 -15.519 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.353 13.421 -15.486 1.00 0.00 C ATOM 0 H THR A 82 21.184 14.958 -16.962 1.00 0.00 H new ATOM 0 HA THR A 82 19.738 12.483 -17.540 1.00 0.00 H new ATOM 0 HB THR A 82 22.035 12.235 -17.219 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.518 10.817 -15.928 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.265 12.906 -15.186 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.610 14.297 -16.081 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.804 13.734 -14.598 1.00 0.00 H new ATOM 1235 N SER A 83 18.245 12.315 -15.574 1.00 0.00 N ATOM 1236 CA SER A 83 17.248 12.288 -14.514 1.00 0.00 C ATOM 1237 C SER A 83 17.296 10.944 -13.789 1.00 0.00 C ATOM 1238 O SER A 83 17.782 9.948 -14.336 1.00 0.00 O ATOM 1239 CB SER A 83 15.851 12.525 -15.093 1.00 0.00 C ATOM 1240 OG SER A 83 15.335 11.341 -15.676 1.00 0.00 O ATOM 0 H SER A 83 18.134 11.578 -16.271 1.00 0.00 H new ATOM 0 HA SER A 83 17.469 13.083 -13.802 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.181 12.869 -14.305 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.893 13.315 -15.843 1.00 0.00 H new ATOM 0 HG SER A 83 16.060 10.851 -16.117 1.00 0.00 H new ATOM 1246 N SER A 84 16.801 10.916 -12.557 1.00 0.00 N ATOM 1247 CA SER A 84 16.800 9.691 -11.772 1.00 0.00 C ATOM 1248 C SER A 84 15.390 9.323 -11.321 1.00 0.00 C ATOM 1249 O SER A 84 14.565 10.196 -11.052 1.00 0.00 O ATOM 1250 CB SER A 84 17.719 9.837 -10.558 1.00 0.00 C ATOM 1251 OG SER A 84 18.385 8.620 -10.274 1.00 0.00 O ATOM 0 H SER A 84 16.397 11.724 -12.083 1.00 0.00 H new ATOM 0 HA SER A 84 17.173 8.887 -12.407 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.452 10.621 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.135 10.147 -9.691 1.00 0.00 H new ATOM 0 HG SER A 84 18.968 8.740 -9.495 1.00 0.00 H new ATOM 1257 N ILE A 85 15.123 8.020 -11.243 1.00 0.00 N ATOM 1258 CA ILE A 85 13.809 7.532 -10.829 1.00 0.00 C ATOM 1259 C ILE A 85 13.909 6.220 -10.042 1.00 0.00 C ATOM 1260 O ILE A 85 14.734 5.363 -10.354 1.00 0.00 O ATOM 1261 CB ILE A 85 12.897 7.327 -12.053 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.468 7.025 -11.609 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.434 6.212 -12.939 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.496 6.902 -12.762 1.00 0.00 C ATOM 0 H ILE A 85 15.797 7.286 -11.460 1.00 0.00 H new ATOM 0 HA ILE A 85 13.378 8.290 -10.175 1.00 0.00 H new ATOM 0 HB ILE A 85 12.887 8.249 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.461 6.097 -11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.128 7.815 -10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.777 6.082 -13.799 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.435 6.471 -13.284 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.476 5.283 -12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.499 6.687 -12.376 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.475 7.837 -13.321 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.813 6.093 -13.420 1.00 0.00 H new ATOM 1276 N ASP A 86 13.046 6.070 -9.033 1.00 0.00 N ATOM 1277 CA ASP A 86 13.018 4.863 -8.197 1.00 0.00 C ATOM 1278 C ASP A 86 11.957 3.877 -8.698 1.00 0.00 C ATOM 1279 O ASP A 86 10.767 4.190 -8.707 1.00 0.00 O ATOM 1280 CB ASP A 86 12.731 5.240 -6.743 1.00 0.00 C ATOM 1281 CG ASP A 86 12.877 4.062 -5.800 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.702 3.169 -6.088 1.00 0.00 O ATOM 1283 OD2 ASP A 86 12.167 4.033 -4.772 1.00 0.00 O ATOM 0 H ASP A 86 12.354 6.772 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 86 13.994 4.381 -8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.411 6.034 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.720 5.639 -6.667 1.00 0.00 H new ATOM 1288 N LEU A 87 12.396 2.696 -9.128 1.00 0.00 N ATOM 1289 CA LEU A 87 11.480 1.679 -9.660 1.00 0.00 C ATOM 1290 C LEU A 87 11.053 0.636 -8.621 1.00 0.00 C ATOM 1291 O LEU A 87 10.230 -0.227 -8.921 1.00 0.00 O ATOM 1292 CB LEU A 87 12.116 0.983 -10.861 1.00 0.00 C ATOM 1293 CG LEU A 87 12.823 1.920 -11.843 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.739 1.136 -12.769 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.806 2.719 -12.646 1.00 0.00 C ATOM 0 H LEU A 87 13.377 2.416 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 87 10.575 2.206 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.835 0.248 -10.499 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.342 0.434 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 87 13.434 2.618 -11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.232 1.821 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.491 0.612 -12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.152 0.412 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.327 3.380 -13.339 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.168 2.036 -13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.194 3.314 -11.968 1.00 0.00 H new ATOM 1307 N ASN A 88 11.617 0.688 -7.416 1.00 0.00 N ATOM 1308 CA ASN A 88 11.286 -0.294 -6.376 1.00 0.00 C ATOM 1309 C ASN A 88 9.778 -0.545 -6.282 1.00 0.00 C ATOM 1310 O ASN A 88 9.349 -1.625 -5.876 1.00 0.00 O ATOM 1311 CB ASN A 88 11.792 0.201 -5.019 1.00 0.00 C ATOM 1312 CG ASN A 88 11.763 -0.885 -3.962 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.378 -2.019 -4.266 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.193 -0.704 -2.885 1.00 0.00 N flip ATOM 0 H ASN A 88 12.300 1.391 -7.134 1.00 0.00 H new ATOM 0 HA ASN A 88 11.771 -1.232 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.811 0.572 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.180 1.041 -4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.733 0.186 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.182 -1.444 -2.183 1.00 0.00 H new ATOM 1321 N SER A 89 8.978 0.450 -6.653 1.00 0.00 N ATOM 1322 CA SER A 89 7.522 0.319 -6.596 1.00 0.00 C ATOM 1323 C SER A 89 6.946 -0.429 -7.800 1.00 0.00 C ATOM 1324 O SER A 89 5.995 -1.199 -7.659 1.00 0.00 O ATOM 1325 CB SER A 89 6.870 1.697 -6.494 1.00 0.00 C ATOM 1326 OG SER A 89 7.095 2.276 -5.221 1.00 0.00 O ATOM 0 H SER A 89 9.309 1.352 -6.995 1.00 0.00 H new ATOM 0 HA SER A 89 7.297 -0.270 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.270 2.350 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.798 1.610 -6.673 1.00 0.00 H new ATOM 0 HG SER A 89 6.669 3.158 -5.183 1.00 0.00 H new ATOM 1332 N VAL A 90 7.485 -0.169 -8.987 1.00 0.00 N ATOM 1333 CA VAL A 90 6.977 -0.798 -10.203 1.00 0.00 C ATOM 1334 C VAL A 90 7.354 -2.277 -10.327 1.00 0.00 C ATOM 1335 O VAL A 90 6.486 -3.121 -10.549 1.00 0.00 O ATOM 1336 CB VAL A 90 7.425 -0.033 -11.475 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.253 1.466 -11.288 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.866 -0.354 -11.840 1.00 0.00 C ATOM 0 H VAL A 90 8.268 0.468 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 90 5.891 -0.747 -10.119 1.00 0.00 H new ATOM 0 HB VAL A 90 6.788 -0.362 -12.296 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.573 1.984 -12.192 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.204 1.690 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.858 1.799 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.146 0.200 -12.736 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.522 -0.069 -11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.964 -1.423 -12.028 1.00 0.00 H new ATOM 1348 N ILE A 91 8.639 -2.592 -10.220 1.00 0.00 N ATOM 1349 CA ILE A 91 9.088 -3.972 -10.358 1.00 0.00 C ATOM 1350 C ILE A 91 8.937 -4.757 -9.056 1.00 0.00 C ATOM 1351 O ILE A 91 9.061 -4.206 -7.961 1.00 0.00 O ATOM 1352 CB ILE A 91 10.548 -4.035 -10.866 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.643 -3.412 -12.266 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.056 -5.471 -10.886 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.386 -2.091 -12.293 1.00 0.00 C ATOM 0 H ILE A 91 9.383 -1.918 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 91 8.444 -4.443 -11.100 1.00 0.00 H new ATOM 0 HB ILE A 91 11.177 -3.466 -10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.142 -4.114 -12.934 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.637 -3.261 -12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.084 -5.488 -11.247 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.018 -5.884 -9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.429 -6.069 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.414 -1.710 -13.314 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.875 -1.373 -11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.404 -2.239 -11.933 1.00 0.00 H new ATOM 1367 N GLU A 92 8.654 -6.052 -9.194 1.00 0.00 N ATOM 1368 CA GLU A 92 8.460 -6.937 -8.053 1.00 0.00 C ATOM 1369 C GLU A 92 9.130 -8.281 -8.318 1.00 0.00 C ATOM 1370 O GLU A 92 9.504 -8.569 -9.453 1.00 0.00 O ATOM 1371 CB GLU A 92 6.960 -7.151 -7.822 1.00 0.00 C ATOM 1372 CG GLU A 92 6.611 -7.596 -6.410 1.00 0.00 C ATOM 1373 CD GLU A 92 5.157 -7.342 -6.060 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.284 -7.628 -6.906 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.891 -6.857 -4.940 1.00 0.00 O ATOM 0 H GLU A 92 8.554 -6.513 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 92 8.906 -6.483 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.433 -6.222 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.597 -7.898 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.826 -8.659 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.249 -7.070 -5.699 1.00 0.00 H new ATOM 1382 N ASN A 93 9.296 -9.105 -7.283 1.00 0.00 N ATOM 1383 CA ASN A 93 9.937 -10.406 -7.456 1.00 0.00 C ATOM 1384 C ASN A 93 8.913 -11.531 -7.354 1.00 0.00 C ATOM 1385 O ASN A 93 8.531 -11.948 -6.261 1.00 0.00 O ATOM 1386 CB ASN A 93 11.030 -10.599 -6.401 1.00 0.00 C ATOM 1387 CG ASN A 93 11.755 -11.926 -6.537 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.911 -12.454 -7.638 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.204 -12.469 -5.411 1.00 0.00 N ATOM 0 H ASN A 93 9.000 -8.898 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 93 10.387 -10.436 -8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.752 -9.786 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.585 -10.534 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.701 -13.359 -5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.052 -11.996 -4.520 1.00 0.00 H new ATOM 1396 N VAL A 94 8.492 -12.024 -8.510 1.00 0.00 N ATOM 1397 CA VAL A 94 7.528 -13.115 -8.578 1.00 0.00 C ATOM 1398 C VAL A 94 8.236 -14.449 -8.786 1.00 0.00 C ATOM 1399 O VAL A 94 8.571 -14.808 -9.914 1.00 0.00 O ATOM 1400 CB VAL A 94 6.509 -12.899 -9.712 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.446 -13.986 -9.690 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.872 -11.521 -9.603 1.00 0.00 C ATOM 0 H VAL A 94 8.805 -11.684 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 94 6.994 -13.131 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 94 7.037 -12.957 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.735 -13.816 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.918 -14.960 -9.821 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.921 -13.963 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.155 -11.387 -10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.359 -11.432 -8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.645 -10.756 -9.673 1.00 0.00 H new ATOM 1412 N ASP A 95 8.466 -15.185 -7.702 1.00 0.00 N ATOM 1413 CA ASP A 95 9.138 -16.478 -7.785 1.00 0.00 C ATOM 1414 C ASP A 95 10.478 -16.368 -8.505 1.00 0.00 C ATOM 1415 O ASP A 95 10.900 -17.297 -9.192 1.00 0.00 O ATOM 1416 CB ASP A 95 8.253 -17.506 -8.490 1.00 0.00 C ATOM 1417 CG ASP A 95 8.678 -18.927 -8.178 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.199 -19.159 -7.064 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.494 -19.808 -9.045 1.00 0.00 O ATOM 0 H ASP A 95 8.197 -14.909 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 95 9.325 -16.811 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.216 -17.362 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.294 -17.343 -9.567 1.00 0.00 H new ATOM 1424 N GLY A 96 11.145 -15.229 -8.341 1.00 0.00 N ATOM 1425 CA GLY A 96 12.441 -15.028 -8.974 1.00 0.00 C ATOM 1426 C GLY A 96 12.346 -14.357 -10.333 1.00 0.00 C ATOM 1427 O GLY A 96 13.198 -14.572 -11.195 1.00 0.00 O ATOM 0 H GLY A 96 10.814 -14.442 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.067 -14.422 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.937 -15.992 -9.086 1.00 0.00 H new ATOM 1431 N SER A 97 11.311 -13.544 -10.528 1.00 0.00 N ATOM 1432 CA SER A 97 11.118 -12.846 -11.797 1.00 0.00 C ATOM 1433 C SER A 97 10.625 -11.418 -11.573 1.00 0.00 C ATOM 1434 O SER A 97 9.741 -11.176 -10.751 1.00 0.00 O ATOM 1435 CB SER A 97 10.123 -13.605 -12.674 1.00 0.00 C ATOM 1436 OG SER A 97 8.808 -13.503 -12.156 1.00 0.00 O ATOM 0 H SER A 97 10.595 -13.352 -9.827 1.00 0.00 H new ATOM 0 HA SER A 97 12.083 -12.801 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.150 -13.207 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.413 -14.654 -12.735 1.00 0.00 H new ATOM 0 HG SER A 97 8.682 -14.171 -11.450 1.00 0.00 H new ATOM 1442 N LEU A 98 11.210 -10.477 -12.310 1.00 0.00 N ATOM 1443 CA LEU A 98 10.839 -9.070 -12.196 1.00 0.00 C ATOM 1444 C LEU A 98 9.490 -8.804 -12.854 1.00 0.00 C ATOM 1445 O LEU A 98 9.314 -9.033 -14.049 1.00 0.00 O ATOM 1446 CB LEU A 98 11.912 -8.187 -12.837 1.00 0.00 C ATOM 1447 CG LEU A 98 13.341 -8.439 -12.350 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.287 -7.397 -12.922 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.400 -8.436 -10.829 1.00 0.00 C ATOM 0 H LEU A 98 11.944 -10.664 -12.993 1.00 0.00 H new ATOM 0 HA LEU A 98 10.759 -8.828 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.882 -8.333 -13.917 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.660 -7.143 -12.649 1.00 0.00 H new ATOM 0 HG LEU A 98 13.655 -9.422 -12.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.299 -7.590 -12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.269 -7.448 -14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.972 -6.404 -12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.425 -8.617 -10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.066 -7.469 -10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.752 -9.220 -10.438 1.00 0.00 H new ATOM 1461 N LYS A 99 8.533 -8.336 -12.058 1.00 0.00 N ATOM 1462 CA LYS A 99 7.192 -8.054 -12.554 1.00 0.00 C ATOM 1463 C LYS A 99 6.783 -6.614 -12.267 1.00 0.00 C ATOM 1464 O LYS A 99 7.034 -6.091 -11.185 1.00 0.00 O ATOM 1465 CB LYS A 99 6.193 -9.016 -11.909 1.00 0.00 C ATOM 1466 CG LYS A 99 6.154 -10.383 -12.574 1.00 0.00 C ATOM 1467 CD LYS A 99 4.727 -10.845 -12.820 1.00 0.00 C ATOM 1468 CE LYS A 99 4.647 -12.353 -12.988 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.550 -12.748 -13.914 1.00 0.00 N ATOM 0 H LYS A 99 8.663 -8.144 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 99 7.193 -8.193 -13.635 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.447 -9.140 -10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.198 -8.573 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.692 -10.343 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.669 -11.109 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.096 -10.537 -11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.335 -10.358 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.597 -12.727 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.488 -12.819 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.527 -13.784 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.640 -12.413 -13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.715 -12.324 -14.849 1.00 0.00 H new ATOM 1483 N TYR A 100 6.145 -5.981 -13.247 1.00 0.00 N ATOM 1484 CA TYR A 100 5.691 -4.604 -13.099 1.00 0.00 C ATOM 1485 C TYR A 100 4.398 -4.565 -12.294 1.00 0.00 C ATOM 1486 O TYR A 100 3.613 -5.512 -12.324 1.00 0.00 O ATOM 1487 CB TYR A 100 5.473 -3.963 -14.472 1.00 0.00 C ATOM 1488 CG TYR A 100 5.042 -2.515 -14.403 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.721 -2.176 -14.139 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.955 -1.488 -14.602 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.323 -0.855 -14.075 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.564 -0.164 -14.540 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.248 0.147 -14.276 1.00 0.00 C ATOM 1494 OH TYR A 100 3.855 1.464 -14.212 1.00 0.00 O ATOM 0 H TYR A 100 5.931 -6.401 -14.152 1.00 0.00 H new ATOM 0 HA TYR A 100 6.458 -4.039 -12.569 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.397 -4.031 -15.046 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.718 -4.533 -15.014 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.993 -2.958 -13.981 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.988 -1.728 -14.809 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.292 -0.608 -13.868 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.286 0.623 -14.698 1.00 0.00 H new ATOM 0 HH TYR A 100 4.628 2.044 -14.376 1.00 0.00 H new