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 62 SER OG : rot 153:sc= 0.351 USER MOD Set 1.2: A 71 SER OG : rot 124:sc= 0.275 USER MOD Set 2.1: A 17 SER OG : rot 27:sc= -1.51 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= 0.123 F(o=-2.7,f=-1.4) USER MOD Set 3.2: A 53 SER OG : rot -141:sc= -1.57 USER MOD Set 4.1: A 43 ASN : amide:sc= -3.18! C(o=-5.2!,f=-5.2!) USER MOD Set 4.2: A 58 THR OG1 : rot 128:sc= -1.99! USER MOD Set 5.1: A 7 THR OG1 : rot -150:sc= 0.0144 USER MOD Set 5.2: A 93 ASN : amide:sc= 0.0154 K(o=0.03,f=-6.7!) USER MOD Single : A 10 ASN : amide:sc= -7.59! C(o=-7.6!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.876 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 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 X(o=0,f=-0.023) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.921 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.914 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.63 K(o=-4.6,f=-6.5!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.279 F(o=-1.3,f=-0.28) 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= -4 K(o=-4,f=-11!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -36:sc= 0.461 USER MOD Single : A 61 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 67 SER OG : rot 180:sc= 0 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= -0.0704 USER MOD Single : A 77 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.14) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 82 THR OG1 : rot 46:sc= 0.937 USER MOD Single : A 83 SER OG : rot -35:sc= -0.197 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.33! C(o=-6.2!,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.259 -4.800 -5.086 1.00 0.00 N ATOM 59 CA PHE A 4 12.038 -5.856 -5.732 1.00 0.00 C ATOM 60 C PHE A 4 13.504 -5.814 -5.308 1.00 0.00 C ATOM 61 O PHE A 4 14.123 -6.854 -5.092 1.00 0.00 O ATOM 62 CB PHE A 4 11.922 -5.743 -7.255 1.00 0.00 C ATOM 63 CG PHE A 4 12.708 -4.610 -7.855 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.173 -3.333 -7.920 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.980 -4.826 -8.360 1.00 0.00 C ATOM 66 CE1 PHE A 4 12.893 -2.293 -8.477 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.704 -3.790 -8.918 1.00 0.00 C ATOM 68 CZ PHE A 4 14.160 -2.522 -8.977 1.00 0.00 C ATOM 0 HA PHE A 4 11.628 -6.814 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.256 -6.679 -7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.872 -5.621 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.182 -3.149 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.410 -5.816 -8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.465 -1.302 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.695 -3.972 -9.308 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.724 -1.711 -9.413 1.00 0.00 H new ATOM 78 N ILE A 5 14.061 -4.612 -5.189 1.00 0.00 N ATOM 79 CA ILE A 5 15.457 -4.469 -4.793 1.00 0.00 C ATOM 80 C ILE A 5 15.681 -5.007 -3.382 1.00 0.00 C ATOM 81 O ILE A 5 16.813 -5.292 -2.991 1.00 0.00 O ATOM 82 CB ILE A 5 15.925 -2.997 -4.865 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.449 -2.916 -4.747 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.258 -2.160 -3.782 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.176 -3.330 -6.008 1.00 0.00 C ATOM 0 H ILE A 5 13.573 -3.733 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 5 16.048 -5.053 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 5 15.630 -2.592 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.732 -1.894 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.776 -3.551 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.604 -1.129 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.176 -2.190 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.516 -2.561 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.252 -3.248 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.923 -4.362 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.878 -2.679 -6.830 1.00 0.00 H new ATOM 97 N GLU A 6 14.596 -5.169 -2.628 1.00 0.00 N ATOM 98 CA GLU A 6 14.687 -5.697 -1.271 1.00 0.00 C ATOM 99 C GLU A 6 14.921 -7.208 -1.287 1.00 0.00 C ATOM 100 O GLU A 6 15.510 -7.763 -0.359 1.00 0.00 O ATOM 101 CB GLU A 6 13.411 -5.380 -0.486 1.00 0.00 C ATOM 102 CG GLU A 6 13.265 -3.911 -0.122 1.00 0.00 C ATOM 103 CD GLU A 6 12.525 -3.705 1.186 1.00 0.00 C ATOM 104 OE1 GLU A 6 13.167 -3.801 2.253 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.303 -3.447 1.143 1.00 0.00 O ATOM 0 H GLU A 6 13.649 -4.943 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 6 15.535 -5.218 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.547 -5.686 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.400 -5.974 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.254 -3.458 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.734 -3.394 -0.921 1.00 0.00 H new ATOM 112 N THR A 7 14.471 -7.868 -2.355 1.00 0.00 N ATOM 113 CA THR A 7 14.652 -9.311 -2.495 1.00 0.00 C ATOM 114 C THR A 7 15.484 -9.649 -3.735 1.00 0.00 C ATOM 115 O THR A 7 15.426 -10.769 -4.246 1.00 0.00 O ATOM 116 CB THR A 7 13.297 -10.023 -2.554 1.00 0.00 C ATOM 117 OG1 THR A 7 12.500 -9.513 -3.609 1.00 0.00 O ATOM 118 CG2 THR A 7 12.502 -9.897 -1.271 1.00 0.00 C ATOM 0 H THR A 7 13.980 -7.427 -3.133 1.00 0.00 H new ATOM 0 HA THR A 7 15.194 -9.663 -1.617 1.00 0.00 H new ATOM 0 HB THR A 7 13.532 -11.075 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.553 -9.591 -3.370 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.553 -10.423 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.068 -10.333 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.312 -8.844 -1.063 1.00 0.00 H new ATOM 126 N CYS A 8 16.249 -8.676 -4.224 1.00 0.00 N ATOM 127 CA CYS A 8 17.073 -8.882 -5.409 1.00 0.00 C ATOM 128 C CYS A 8 18.469 -8.290 -5.227 1.00 0.00 C ATOM 129 O CYS A 8 18.668 -7.363 -4.441 1.00 0.00 O ATOM 130 CB CYS A 8 16.400 -8.264 -6.636 1.00 0.00 C ATOM 131 SG CYS A 8 14.730 -8.913 -6.974 1.00 0.00 S ATOM 0 H CYS A 8 16.315 -7.742 -3.819 1.00 0.00 H new ATOM 0 HA CYS A 8 17.178 -9.957 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.338 -7.185 -6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.029 -8.438 -7.509 1.00 0.00 H new ATOM 136 N ARG A 9 19.432 -8.838 -5.962 1.00 0.00 N ATOM 137 CA ARG A 9 20.815 -8.378 -5.888 1.00 0.00 C ATOM 138 C ARG A 9 21.411 -8.197 -7.280 1.00 0.00 C ATOM 139 O ARG A 9 20.786 -8.542 -8.283 1.00 0.00 O ATOM 140 CB ARG A 9 21.663 -9.366 -5.089 1.00 0.00 C ATOM 141 CG ARG A 9 21.460 -10.811 -5.505 1.00 0.00 C ATOM 142 CD ARG A 9 22.281 -11.758 -4.645 1.00 0.00 C ATOM 143 NE ARG A 9 23.657 -11.881 -5.123 1.00 0.00 N ATOM 144 CZ ARG A 9 24.656 -11.088 -4.735 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.436 -10.098 -3.877 1.00 0.00 N ATOM 146 NH2 ARG A 9 25.878 -11.284 -5.210 1.00 0.00 N ATOM 0 H ARG A 9 19.279 -9.604 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 9 20.817 -7.412 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.715 -9.107 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.425 -9.264 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.404 -11.069 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.740 -10.932 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.286 -11.400 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.811 -12.741 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 9 23.866 -12.619 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.497 -9.940 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.206 -9.496 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 9 26.053 -12.041 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 9 26.643 -10.678 -4.914 1.00 0.00 H new ATOM 160 N ASN A 10 22.623 -7.645 -7.331 1.00 0.00 N ATOM 161 CA ASN A 10 23.325 -7.404 -8.591 1.00 0.00 C ATOM 162 C ASN A 10 22.440 -6.703 -9.616 1.00 0.00 C ATOM 163 O ASN A 10 22.238 -7.201 -10.725 1.00 0.00 O ATOM 164 CB ASN A 10 23.883 -8.712 -9.171 1.00 0.00 C ATOM 165 CG ASN A 10 22.804 -9.698 -9.573 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.257 -10.412 -8.734 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.498 -9.749 -10.865 1.00 0.00 N ATOM 0 H ASN A 10 23.144 -7.353 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 10 24.158 -6.738 -8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.498 -8.482 -10.041 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.536 -9.179 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.784 -10.399 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.977 -9.138 -11.527 1.00 0.00 H new ATOM 174 N THR A 11 21.933 -5.532 -9.246 1.00 0.00 N ATOM 175 CA THR A 11 21.100 -4.750 -10.146 1.00 0.00 C ATOM 176 C THR A 11 21.992 -4.020 -11.142 1.00 0.00 C ATOM 177 O THR A 11 22.990 -3.407 -10.761 1.00 0.00 O ATOM 178 CB THR A 11 20.240 -3.756 -9.364 1.00 0.00 C ATOM 179 OG1 THR A 11 20.981 -3.180 -8.304 1.00 0.00 O ATOM 180 CG2 THR A 11 18.996 -4.378 -8.769 1.00 0.00 C ATOM 0 H THR A 11 22.085 -5.106 -8.332 1.00 0.00 H new ATOM 0 HA THR A 11 20.427 -5.418 -10.684 1.00 0.00 H new ATOM 0 HB THR A 11 19.937 -3.002 -10.091 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.899 -3.009 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.432 -3.618 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.378 -4.789 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.281 -5.176 -8.083 1.00 0.00 H new ATOM 188 N GLN A 12 21.645 -4.105 -12.419 1.00 0.00 N ATOM 189 CA GLN A 12 22.440 -3.472 -13.466 1.00 0.00 C ATOM 190 C GLN A 12 21.620 -3.221 -14.722 1.00 0.00 C ATOM 191 O GLN A 12 20.542 -3.789 -14.897 1.00 0.00 O ATOM 192 CB GLN A 12 23.663 -4.324 -13.794 1.00 0.00 C ATOM 193 CG GLN A 12 23.318 -5.721 -14.281 1.00 0.00 C ATOM 194 CD GLN A 12 24.415 -6.322 -15.135 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.357 -6.926 -14.622 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.300 -6.153 -16.446 1.00 0.00 N ATOM 0 H GLN A 12 20.821 -4.604 -12.756 1.00 0.00 H new ATOM 0 HA GLN A 12 22.771 -2.505 -13.088 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.254 -3.818 -14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.290 -4.402 -12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.134 -6.367 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.393 -5.684 -14.856 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.501 -5.645 -16.827 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.010 -6.531 -17.073 1.00 0.00 H new ATOM 205 N LEU A 13 22.143 -2.367 -15.597 1.00 0.00 N ATOM 206 CA LEU A 13 21.459 -2.041 -16.841 1.00 0.00 C ATOM 207 C LEU A 13 22.000 -2.868 -17.994 1.00 0.00 C ATOM 208 O LEU A 13 23.211 -3.023 -18.155 1.00 0.00 O ATOM 209 CB LEU A 13 21.634 -0.563 -17.186 1.00 0.00 C ATOM 210 CG LEU A 13 20.845 -0.106 -18.416 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.691 0.790 -18.004 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.750 0.609 -19.411 1.00 0.00 C ATOM 0 H LEU A 13 23.035 -1.890 -15.467 1.00 0.00 H new ATOM 0 HA LEU A 13 20.402 -2.265 -16.694 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.328 0.037 -16.329 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.693 -0.364 -17.353 1.00 0.00 H new ATOM 0 HG LEU A 13 20.439 -0.991 -18.906 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.141 1.106 -18.891 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.024 0.241 -17.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.078 1.667 -17.486 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.164 0.923 -20.275 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.194 1.484 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.541 -0.068 -19.735 1.00 0.00 H new ATOM 224 N ALA A 14 21.087 -3.379 -18.805 1.00 0.00 N ATOM 225 CA ALA A 14 21.438 -4.172 -19.967 1.00 0.00 C ATOM 226 C ALA A 14 20.894 -3.486 -21.210 1.00 0.00 C ATOM 227 O ALA A 14 19.822 -2.883 -21.167 1.00 0.00 O ATOM 228 CB ALA A 14 20.873 -5.578 -19.834 1.00 0.00 C ATOM 0 H ALA A 14 20.083 -3.254 -18.674 1.00 0.00 H new ATOM 0 HA ALA A 14 22.522 -4.254 -20.047 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.143 -6.163 -20.713 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.283 -6.052 -18.942 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.787 -5.528 -19.752 1.00 0.00 H new ATOM 234 N GLY A 15 21.628 -3.551 -22.310 1.00 0.00 N ATOM 235 CA GLY A 15 21.171 -2.897 -23.521 1.00 0.00 C ATOM 236 C GLY A 15 20.970 -1.407 -23.310 1.00 0.00 C ATOM 237 O GLY A 15 21.657 -0.799 -22.488 1.00 0.00 O ATOM 0 H GLY A 15 22.521 -4.038 -22.388 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.897 -3.057 -24.318 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.234 -3.348 -23.848 1.00 0.00 H new ATOM 241 N SER A 16 20.059 -0.803 -24.070 1.00 0.00 N ATOM 242 CA SER A 16 19.827 0.636 -23.965 1.00 0.00 C ATOM 243 C SER A 16 18.828 1.003 -22.868 1.00 0.00 C ATOM 244 O SER A 16 18.994 2.026 -22.203 1.00 0.00 O ATOM 245 CB SER A 16 19.304 1.173 -25.295 1.00 0.00 C ATOM 246 OG SER A 16 19.966 0.561 -26.388 1.00 0.00 O ATOM 0 H SER A 16 19.476 -1.280 -24.757 1.00 0.00 H new ATOM 0 HA SER A 16 20.786 1.086 -23.707 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.232 0.992 -25.368 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.448 2.253 -25.337 1.00 0.00 H new ATOM 0 HG SER A 16 19.612 0.921 -27.228 1.00 0.00 H new ATOM 252 N SER A 17 17.784 0.198 -22.678 1.00 0.00 N ATOM 253 CA SER A 17 16.790 0.513 -21.664 1.00 0.00 C ATOM 254 C SER A 17 16.271 -0.730 -20.934 1.00 0.00 C ATOM 255 O SER A 17 15.095 -0.799 -20.581 1.00 0.00 O ATOM 256 CB SER A 17 15.635 1.278 -22.310 1.00 0.00 C ATOM 257 OG SER A 17 15.327 0.754 -23.589 1.00 0.00 O ATOM 0 H SER A 17 17.609 -0.659 -23.203 1.00 0.00 H new ATOM 0 HA SER A 17 17.273 1.133 -20.908 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.755 1.222 -21.669 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.898 2.332 -22.399 1.00 0.00 H new ATOM 0 HG SER A 17 15.588 -0.190 -23.627 1.00 0.00 H new ATOM 263 N GLU A 18 17.152 -1.699 -20.696 1.00 0.00 N ATOM 264 CA GLU A 18 16.774 -2.922 -19.983 1.00 0.00 C ATOM 265 C GLU A 18 17.506 -3.048 -18.654 1.00 0.00 C ATOM 266 O GLU A 18 18.655 -2.627 -18.521 1.00 0.00 O ATOM 267 CB GLU A 18 17.043 -4.170 -20.826 1.00 0.00 C ATOM 268 CG GLU A 18 15.953 -4.478 -21.832 1.00 0.00 C ATOM 269 CD GLU A 18 16.319 -4.078 -23.247 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.617 -2.886 -23.469 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.306 -4.957 -24.134 1.00 0.00 O ATOM 0 H GLU A 18 18.130 -1.664 -20.984 1.00 0.00 H new ATOM 0 HA GLU A 18 15.704 -2.847 -19.790 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.987 -4.042 -21.356 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.163 -5.026 -20.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.736 -5.546 -21.808 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.040 -3.960 -21.539 1.00 0.00 H new ATOM 278 N LEU A 19 16.834 -3.647 -17.678 1.00 0.00 N ATOM 279 CA LEU A 19 17.411 -3.858 -16.359 1.00 0.00 C ATOM 280 C LEU A 19 17.433 -5.351 -16.055 1.00 0.00 C ATOM 281 O LEU A 19 16.394 -6.014 -16.086 1.00 0.00 O ATOM 282 CB LEU A 19 16.603 -3.092 -15.301 1.00 0.00 C ATOM 283 CG LEU A 19 16.826 -3.517 -13.845 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.279 -3.320 -13.438 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.904 -2.733 -12.922 1.00 0.00 C ATOM 0 H LEU A 19 15.881 -3.997 -17.779 1.00 0.00 H new ATOM 0 HA LEU A 19 18.433 -3.480 -16.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.840 -2.032 -15.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.544 -3.202 -15.532 1.00 0.00 H new ATOM 0 HG LEU A 19 16.592 -4.578 -13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.411 -3.629 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.922 -3.922 -14.081 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.546 -2.268 -13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.072 -3.044 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.113 -1.668 -13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.866 -2.926 -13.195 1.00 0.00 H new ATOM 297 N ALA A 20 18.608 -5.888 -15.754 1.00 0.00 N ATOM 298 CA ALA A 20 18.733 -7.300 -15.445 1.00 0.00 C ATOM 299 C ALA A 20 19.254 -7.473 -14.021 1.00 0.00 C ATOM 300 O ALA A 20 20.060 -6.674 -13.545 1.00 0.00 O ATOM 301 CB ALA A 20 19.635 -7.978 -16.468 1.00 0.00 C ATOM 0 H ALA A 20 19.484 -5.366 -15.718 1.00 0.00 H new ATOM 0 HA ALA A 20 17.755 -7.779 -15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.724 -9.038 -16.229 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.205 -7.865 -17.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.622 -7.517 -16.445 1.00 0.00 H new ATOM 307 N ALA A 21 18.767 -8.499 -13.335 1.00 0.00 N ATOM 308 CA ALA A 21 19.158 -8.748 -11.951 1.00 0.00 C ATOM 309 C ALA A 21 18.849 -10.184 -11.531 1.00 0.00 C ATOM 310 O ALA A 21 18.174 -10.918 -12.251 1.00 0.00 O ATOM 311 CB ALA A 21 18.458 -7.765 -11.028 1.00 0.00 C ATOM 0 H ALA A 21 18.101 -9.173 -13.713 1.00 0.00 H new ATOM 0 HA ALA A 21 20.236 -8.606 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.756 -7.958 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.737 -6.747 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.379 -7.883 -11.122 1.00 0.00 H new ATOM 317 N GLU A 22 19.300 -10.565 -10.337 1.00 0.00 N ATOM 318 CA GLU A 22 19.014 -11.891 -9.802 1.00 0.00 C ATOM 319 C GLU A 22 18.088 -11.741 -8.597 1.00 0.00 C ATOM 320 O GLU A 22 18.320 -10.888 -7.738 1.00 0.00 O ATOM 321 CB GLU A 22 20.306 -12.611 -9.392 1.00 0.00 C ATOM 322 CG GLU A 22 21.319 -12.748 -10.519 1.00 0.00 C ATOM 323 CD GLU A 22 21.573 -14.193 -10.908 1.00 0.00 C ATOM 324 OE1 GLU A 22 20.635 -15.010 -10.805 1.00 0.00 O ATOM 325 OE2 GLU A 22 22.711 -14.506 -11.319 1.00 0.00 O ATOM 0 H GLU A 22 19.863 -9.975 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 22 18.532 -12.493 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.767 -12.068 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.055 -13.604 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.963 -12.199 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.259 -12.288 -10.215 1.00 0.00 H new ATOM 332 N CYS A 23 17.031 -12.547 -8.524 1.00 0.00 N ATOM 333 CA CYS A 23 16.094 -12.443 -7.411 1.00 0.00 C ATOM 334 C CYS A 23 15.801 -13.796 -6.775 1.00 0.00 C ATOM 335 O CYS A 23 15.557 -14.784 -7.468 1.00 0.00 O ATOM 336 CB CYS A 23 14.787 -11.803 -7.881 1.00 0.00 C ATOM 337 SG CYS A 23 14.990 -10.131 -8.576 1.00 0.00 S ATOM 0 H CYS A 23 16.805 -13.267 -9.210 1.00 0.00 H new ATOM 0 HA CYS A 23 16.563 -11.815 -6.653 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.330 -12.445 -8.634 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.095 -11.755 -7.040 1.00 0.00 H new ATOM 342 N LYS A 24 15.837 -13.830 -5.448 1.00 0.00 N ATOM 343 CA LYS A 24 15.574 -15.060 -4.714 1.00 0.00 C ATOM 344 C LYS A 24 14.124 -15.500 -4.886 1.00 0.00 C ATOM 345 O LYS A 24 13.199 -14.693 -4.790 1.00 0.00 O ATOM 346 CB LYS A 24 15.909 -14.891 -3.225 1.00 0.00 C ATOM 347 CG LYS A 24 15.086 -13.820 -2.521 1.00 0.00 C ATOM 348 CD LYS A 24 14.941 -14.110 -1.032 1.00 0.00 C ATOM 349 CE LYS A 24 15.989 -13.374 -0.210 1.00 0.00 C ATOM 350 NZ LYS A 24 15.881 -13.690 1.242 1.00 0.00 N ATOM 0 H LYS A 24 16.045 -13.022 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 24 16.218 -15.837 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.755 -15.844 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.966 -14.645 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.560 -12.848 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.098 -13.761 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.945 -13.816 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.031 -15.183 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.984 -13.642 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.876 -12.300 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.612 -13.169 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.941 -13.411 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.014 -14.711 1.386 1.00 0.00 H new ATOM 364 N THR A 25 13.942 -16.791 -5.141 1.00 0.00 N ATOM 365 CA THR A 25 12.611 -17.357 -5.330 1.00 0.00 C ATOM 366 C THR A 25 11.979 -17.693 -3.987 1.00 0.00 C ATOM 367 O THR A 25 12.554 -17.409 -2.937 1.00 0.00 O ATOM 368 CB THR A 25 12.681 -18.609 -6.208 1.00 0.00 C ATOM 369 OG1 THR A 25 13.545 -19.577 -5.637 1.00 0.00 O ATOM 370 CG2 THR A 25 13.169 -18.328 -7.614 1.00 0.00 C ATOM 0 H THR A 25 14.702 -17.467 -5.222 1.00 0.00 H new ATOM 0 HA THR A 25 11.991 -16.614 -5.831 1.00 0.00 H new ATOM 0 HB THR A 25 11.657 -18.979 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.574 -20.369 -6.213 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.195 -19.258 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.493 -17.624 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.171 -17.900 -7.573 1.00 0.00 H new ATOM 378 N ARG A 26 10.792 -18.290 -4.015 1.00 0.00 N ATOM 379 CA ARG A 26 10.096 -18.649 -2.788 1.00 0.00 C ATOM 380 C ARG A 26 10.913 -19.643 -1.965 1.00 0.00 C ATOM 381 O ARG A 26 10.814 -19.676 -0.738 1.00 0.00 O ATOM 382 CB ARG A 26 8.725 -19.250 -3.115 1.00 0.00 C ATOM 383 CG ARG A 26 7.931 -18.450 -4.139 1.00 0.00 C ATOM 384 CD ARG A 26 6.726 -17.766 -3.508 1.00 0.00 C ATOM 385 NE ARG A 26 5.470 -18.429 -3.858 1.00 0.00 N ATOM 386 CZ ARG A 26 4.901 -18.353 -5.058 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.470 -17.646 -6.028 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.757 -18.985 -5.290 1.00 0.00 N ATOM 0 H ARG A 26 10.295 -18.534 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 26 9.961 -17.742 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.863 -20.265 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.143 -19.325 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.577 -17.700 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.597 -19.112 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.841 -17.758 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.689 -16.726 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 26 5.003 -18.982 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.348 -17.157 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.028 -17.592 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.315 -19.528 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.320 -18.927 -6.210 1.00 0.00 H new ATOM 402 N ALA A 27 11.696 -20.471 -2.651 1.00 0.00 N ATOM 403 CA ALA A 27 12.503 -21.488 -1.987 1.00 0.00 C ATOM 404 C ALA A 27 13.826 -20.940 -1.447 1.00 0.00 C ATOM 405 O ALA A 27 14.697 -21.710 -1.044 1.00 0.00 O ATOM 406 CB ALA A 27 12.767 -22.642 -2.939 1.00 0.00 C ATOM 0 H ALA A 27 11.788 -20.457 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 27 11.931 -21.837 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.370 -23.398 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.819 -23.082 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.301 -22.276 -3.816 1.00 0.00 H new ATOM 412 N GLN A 28 13.991 -19.619 -1.453 1.00 0.00 N ATOM 413 CA GLN A 28 15.228 -18.998 -0.977 1.00 0.00 C ATOM 414 C GLN A 28 16.411 -19.328 -1.881 1.00 0.00 C ATOM 415 O GLN A 28 17.538 -19.502 -1.417 1.00 0.00 O ATOM 416 CB GLN A 28 15.538 -19.458 0.447 1.00 0.00 C ATOM 417 CG GLN A 28 14.324 -19.478 1.356 1.00 0.00 C ATOM 418 CD GLN A 28 14.693 -19.348 2.819 1.00 0.00 C ATOM 419 OE1 GLN A 28 15.655 -19.958 3.285 1.00 0.00 O ATOM 420 NE2 GLN A 28 13.931 -18.546 3.551 1.00 0.00 N ATOM 0 H GLN A 28 13.287 -18.958 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 28 15.075 -17.919 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.971 -20.458 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.293 -18.799 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.654 -18.664 1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.776 -20.408 1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.143 -18.060 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.133 -18.415 4.542 1.00 0.00 H new ATOM 429 N GLN A 29 16.144 -19.371 -3.178 1.00 0.00 N ATOM 430 CA GLN A 29 17.174 -19.631 -4.176 1.00 0.00 C ATOM 431 C GLN A 29 17.246 -18.444 -5.125 1.00 0.00 C ATOM 432 O GLN A 29 16.216 -17.928 -5.546 1.00 0.00 O ATOM 433 CB GLN A 29 16.867 -20.915 -4.945 1.00 0.00 C ATOM 434 CG GLN A 29 16.756 -22.138 -4.052 1.00 0.00 C ATOM 435 CD GLN A 29 16.304 -23.370 -4.808 1.00 0.00 C ATOM 436 OE1 GLN A 29 15.134 -23.495 -5.172 1.00 0.00 O ATOM 437 NE2 GLN A 29 17.232 -24.287 -5.049 1.00 0.00 N ATOM 0 H GLN A 29 15.212 -19.228 -3.568 1.00 0.00 H new ATOM 0 HA GLN A 29 18.136 -19.763 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.933 -20.788 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.650 -21.083 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.723 -22.334 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.052 -21.932 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.189 -24.141 -4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.988 -25.138 -5.555 1.00 0.00 H new ATOM 446 N PHE A 30 18.452 -17.990 -5.441 1.00 0.00 N ATOM 447 CA PHE A 30 18.609 -16.835 -6.321 1.00 0.00 C ATOM 448 C PHE A 30 18.771 -17.254 -7.778 1.00 0.00 C ATOM 449 O PHE A 30 19.655 -18.041 -8.120 1.00 0.00 O ATOM 450 CB PHE A 30 19.805 -15.991 -5.878 1.00 0.00 C ATOM 451 CG PHE A 30 19.591 -15.300 -4.560 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.572 -16.023 -3.378 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.404 -13.927 -4.503 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.372 -15.392 -2.165 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.203 -13.290 -3.293 1.00 0.00 C ATOM 456 CZ PHE A 30 19.188 -14.023 -2.122 1.00 0.00 C ATOM 0 H PHE A 30 19.326 -18.396 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 30 17.701 -16.237 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.685 -16.630 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.016 -15.243 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 30 19.715 -17.093 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.416 -13.349 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.359 -15.968 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.058 -12.220 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.033 -13.527 -1.175 1.00 0.00 H new ATOM 466 N VAL A 31 17.909 -16.708 -8.630 1.00 0.00 N ATOM 467 CA VAL A 31 17.940 -17.003 -10.058 1.00 0.00 C ATOM 468 C VAL A 31 17.967 -15.712 -10.873 1.00 0.00 C ATOM 469 O VAL A 31 17.514 -14.666 -10.410 1.00 0.00 O ATOM 470 CB VAL A 31 16.727 -17.851 -10.492 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.795 -19.241 -9.875 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.427 -17.157 -10.115 1.00 0.00 C ATOM 0 H VAL A 31 17.176 -16.055 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 31 18.848 -17.575 -10.247 1.00 0.00 H new ATOM 0 HB VAL A 31 16.754 -17.959 -11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.930 -19.823 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.708 -19.739 -10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.795 -19.157 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.583 -17.770 -10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.390 -17.015 -9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.375 -16.187 -10.610 1.00 0.00 H new ATOM 482 N SER A 32 18.533 -15.784 -12.072 1.00 0.00 N ATOM 483 CA SER A 32 18.644 -14.611 -12.934 1.00 0.00 C ATOM 484 C SER A 32 17.294 -14.211 -13.524 1.00 0.00 C ATOM 485 O SER A 32 16.539 -15.051 -14.013 1.00 0.00 O ATOM 486 CB SER A 32 19.647 -14.871 -14.058 1.00 0.00 C ATOM 487 OG SER A 32 20.973 -14.908 -13.561 1.00 0.00 O ATOM 0 H SER A 32 18.922 -16.639 -12.470 1.00 0.00 H new ATOM 0 HA SER A 32 18.997 -13.785 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 32 19.412 -15.816 -14.547 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.561 -14.091 -14.814 1.00 0.00 H new ATOM 0 HG SER A 32 21.595 -15.077 -14.300 1.00 0.00 H new ATOM 493 N THR A 33 17.013 -12.910 -13.472 1.00 0.00 N ATOM 494 CA THR A 33 15.766 -12.356 -13.991 1.00 0.00 C ATOM 495 C THR A 33 16.012 -10.981 -14.608 1.00 0.00 C ATOM 496 O THR A 33 17.033 -10.347 -14.341 1.00 0.00 O ATOM 497 CB THR A 33 14.725 -12.253 -12.877 1.00 0.00 C ATOM 498 OG1 THR A 33 13.567 -11.577 -13.336 1.00 0.00 O ATOM 499 CG2 THR A 33 15.229 -11.521 -11.653 1.00 0.00 C ATOM 0 H THR A 33 17.641 -12.214 -13.071 1.00 0.00 H new ATOM 0 HA THR A 33 15.387 -13.024 -14.764 1.00 0.00 H new ATOM 0 HB THR A 33 14.498 -13.282 -12.597 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.091 -12.143 -13.978 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.441 -11.484 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.094 -12.045 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.516 -10.506 -11.928 1.00 0.00 H new ATOM 507 N LYS A 34 15.084 -10.523 -15.440 1.00 0.00 N ATOM 508 CA LYS A 34 15.238 -9.232 -16.091 1.00 0.00 C ATOM 509 C LYS A 34 13.902 -8.509 -16.245 1.00 0.00 C ATOM 510 O LYS A 34 12.840 -9.130 -16.269 1.00 0.00 O ATOM 511 CB LYS A 34 15.889 -9.425 -17.461 1.00 0.00 C ATOM 512 CG LYS A 34 16.441 -8.145 -18.065 1.00 0.00 C ATOM 513 CD LYS A 34 16.886 -8.355 -19.504 1.00 0.00 C ATOM 514 CE LYS A 34 18.401 -8.381 -19.624 1.00 0.00 C ATOM 515 NZ LYS A 34 18.847 -8.283 -21.041 1.00 0.00 N ATOM 0 H LYS A 34 14.226 -11.022 -15.677 1.00 0.00 H new ATOM 0 HA LYS A 34 15.875 -8.612 -15.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.697 -10.150 -17.369 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.155 -9.851 -18.145 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.679 -7.366 -18.028 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.284 -7.794 -17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.475 -9.292 -19.879 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.485 -7.558 -20.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.825 -7.556 -19.052 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.784 -9.302 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.886 -8.304 -21.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.464 -9.084 -21.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.503 -7.392 -21.452 1.00 0.00 H new ATOM 529 N ILE A 35 13.978 -7.186 -16.362 1.00 0.00 N ATOM 530 CA ILE A 35 12.799 -6.342 -16.527 1.00 0.00 C ATOM 531 C ILE A 35 13.067 -5.324 -17.629 1.00 0.00 C ATOM 532 O ILE A 35 14.108 -4.667 -17.626 1.00 0.00 O ATOM 533 CB ILE A 35 12.453 -5.612 -15.211 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.161 -4.808 -15.355 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.600 -4.708 -14.787 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.936 -5.544 -14.859 1.00 0.00 C ATOM 0 H ILE A 35 14.858 -6.670 -16.345 1.00 0.00 H new ATOM 0 HA ILE A 35 11.950 -6.970 -16.798 1.00 0.00 H new ATOM 0 HB ILE A 35 12.299 -6.363 -14.437 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.261 -3.872 -14.805 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.019 -4.547 -16.404 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.339 -4.201 -13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.498 -5.307 -14.634 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.786 -3.967 -15.565 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.055 -4.915 -14.991 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.812 -6.467 -15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.057 -5.781 -13.802 1.00 0.00 H new ATOM 548 N ASN A 36 12.154 -5.207 -18.590 1.00 0.00 N ATOM 549 CA ASN A 36 12.338 -4.285 -19.708 1.00 0.00 C ATOM 550 C ASN A 36 11.784 -2.900 -19.387 1.00 0.00 C ATOM 551 O ASN A 36 10.578 -2.733 -19.209 1.00 0.00 O ATOM 552 CB ASN A 36 11.633 -4.846 -20.942 1.00 0.00 C ATOM 553 CG ASN A 36 12.166 -4.263 -22.234 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.278 -4.578 -22.655 1.00 0.00 O ATOM 555 ND2 ASN A 36 11.372 -3.415 -22.875 1.00 0.00 N ATOM 0 H ASN A 36 11.283 -5.737 -18.617 1.00 0.00 H new ATOM 0 HA ASN A 36 13.407 -4.183 -19.897 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.750 -5.930 -20.961 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.565 -4.642 -20.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.677 -2.996 -23.754 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.457 -3.182 -22.489 1.00 0.00 H new ATOM 562 N LEU A 37 12.664 -1.908 -19.329 1.00 0.00 N ATOM 563 CA LEU A 37 12.249 -0.541 -19.039 1.00 0.00 C ATOM 564 C LEU A 37 11.839 0.203 -20.312 1.00 0.00 C ATOM 565 O LEU A 37 11.240 1.276 -20.237 1.00 0.00 O ATOM 566 CB LEU A 37 13.369 0.217 -18.320 1.00 0.00 C ATOM 567 CG LEU A 37 13.905 -0.470 -17.062 1.00 0.00 C ATOM 568 CD1 LEU A 37 15.000 -1.465 -17.421 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.421 0.561 -16.067 1.00 0.00 C ATOM 0 H LEU A 37 13.666 -2.024 -19.478 1.00 0.00 H new ATOM 0 HA LEU A 37 11.378 -0.591 -18.385 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.195 0.363 -19.017 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.002 1.207 -18.048 1.00 0.00 H new ATOM 0 HG LEU A 37 13.086 -1.016 -16.594 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.369 -1.943 -16.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.597 -2.223 -18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.819 -0.942 -17.914 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.798 0.053 -15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.225 1.137 -16.524 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.610 1.232 -15.784 1.00 0.00 H new ATOM 581 N ASP A 38 12.195 -0.341 -21.481 1.00 0.00 N ATOM 582 CA ASP A 38 11.876 0.318 -22.750 1.00 0.00 C ATOM 583 C ASP A 38 10.376 0.585 -22.890 1.00 0.00 C ATOM 584 O ASP A 38 9.969 1.681 -23.274 1.00 0.00 O ATOM 585 CB ASP A 38 12.332 -0.512 -23.961 1.00 0.00 C ATOM 586 CG ASP A 38 13.591 -1.323 -23.718 1.00 0.00 C ATOM 587 OD1 ASP A 38 13.680 -1.990 -22.666 1.00 0.00 O ATOM 588 OD2 ASP A 38 14.485 -1.302 -24.591 1.00 0.00 O ATOM 0 H ASP A 38 12.697 -1.224 -21.574 1.00 0.00 H new ATOM 0 HA ASP A 38 12.417 1.264 -22.735 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.527 -1.188 -24.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.501 0.158 -24.804 1.00 0.00 H new ATOM 593 N ASP A 39 9.550 -0.411 -22.582 1.00 0.00 N ATOM 594 CA ASP A 39 8.100 -0.250 -22.685 1.00 0.00 C ATOM 595 C ASP A 39 7.485 0.212 -21.369 1.00 0.00 C ATOM 596 O ASP A 39 6.312 0.577 -21.326 1.00 0.00 O ATOM 597 CB ASP A 39 7.426 -1.539 -23.149 1.00 0.00 C ATOM 598 CG ASP A 39 7.930 -2.762 -22.411 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.935 -2.741 -21.162 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.316 -3.742 -23.081 1.00 0.00 O ATOM 0 H ASP A 39 9.854 -1.330 -22.262 1.00 0.00 H new ATOM 0 HA ASP A 39 7.926 0.523 -23.433 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.349 -1.452 -23.007 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.597 -1.669 -24.218 1.00 0.00 H new ATOM 605 N HIS A 40 8.270 0.204 -20.295 1.00 0.00 N ATOM 606 CA HIS A 40 7.775 0.636 -18.992 1.00 0.00 C ATOM 607 C HIS A 40 8.161 2.091 -18.760 1.00 0.00 C ATOM 608 O HIS A 40 7.302 2.971 -18.688 1.00 0.00 O ATOM 609 CB HIS A 40 8.349 -0.249 -17.881 1.00 0.00 C ATOM 610 CG HIS A 40 7.529 -1.474 -17.614 1.00 0.00 C ATOM 611 ND1 HIS A 40 7.848 -2.790 -17.680 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.200 -1.423 -17.246 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 6.717 -3.499 -17.356 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.738 -2.652 -17.097 1.00 0.00 N flip ATOM 0 H HIS A 40 9.245 -0.095 -20.301 1.00 0.00 H new ATOM 0 HA HIS A 40 6.689 0.544 -18.975 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.361 -0.550 -18.152 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.425 0.335 -16.964 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.758 -3.181 -17.925 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.627 -0.519 -17.102 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.641 -4.576 -17.319 1.00 0.00 H new ATOM 623 N ILE A 41 9.466 2.335 -18.666 1.00 0.00 N ATOM 624 CA ILE A 41 9.980 3.681 -18.472 1.00 0.00 C ATOM 625 C ILE A 41 10.002 4.441 -19.794 1.00 0.00 C ATOM 626 O ILE A 41 10.224 3.856 -20.851 1.00 0.00 O ATOM 627 CB ILE A 41 11.402 3.667 -17.869 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.473 2.703 -16.681 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.813 5.069 -17.444 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.416 2.956 -15.629 1.00 0.00 C ATOM 0 H ILE A 41 10.185 1.614 -18.722 1.00 0.00 H new ATOM 0 HA ILE A 41 9.312 4.182 -17.772 1.00 0.00 H new ATOM 0 HB ILE A 41 12.097 3.321 -18.634 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.372 1.681 -17.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.458 2.780 -16.220 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.817 5.041 -17.021 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.802 5.730 -18.311 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.114 5.442 -16.695 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.529 2.235 -14.819 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.530 3.966 -15.235 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.427 2.850 -16.074 1.00 0.00 H new ATOM 642 N ALA A 42 9.760 5.743 -19.720 1.00 0.00 N ATOM 643 CA ALA A 42 9.744 6.587 -20.917 1.00 0.00 C ATOM 644 C ALA A 42 10.451 7.919 -20.681 1.00 0.00 C ATOM 645 O ALA A 42 10.829 8.247 -19.556 1.00 0.00 O ATOM 646 CB ALA A 42 8.312 6.832 -21.367 1.00 0.00 C ATOM 0 H ALA A 42 9.572 6.240 -18.849 1.00 0.00 H new ATOM 0 HA ALA A 42 10.286 6.057 -21.700 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.313 7.461 -22.258 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.834 5.879 -21.596 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.761 7.332 -20.571 1.00 0.00 H new ATOM 652 N ASN A 43 10.641 8.672 -21.763 1.00 0.00 N ATOM 653 CA ASN A 43 11.315 9.966 -21.702 1.00 0.00 C ATOM 654 C ASN A 43 10.332 11.097 -21.982 1.00 0.00 C ATOM 655 O ASN A 43 9.896 11.291 -23.117 1.00 0.00 O ATOM 656 CB ASN A 43 12.463 10.004 -22.714 1.00 0.00 C ATOM 657 CG ASN A 43 13.183 11.337 -22.743 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.916 11.677 -21.815 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.977 12.098 -23.811 1.00 0.00 N ATOM 0 H ASN A 43 10.335 8.405 -22.699 1.00 0.00 H new ATOM 0 HA ASN A 43 11.719 10.101 -20.698 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.178 9.217 -22.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.071 9.787 -23.708 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.435 13.006 -23.886 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.360 11.775 -24.556 1.00 0.00 H new ATOM 666 N ILE A 44 9.996 11.842 -20.938 1.00 0.00 N ATOM 667 CA ILE A 44 9.073 12.960 -21.058 1.00 0.00 C ATOM 668 C ILE A 44 9.815 14.290 -20.913 1.00 0.00 C ATOM 669 O ILE A 44 9.948 14.821 -19.810 1.00 0.00 O ATOM 670 CB ILE A 44 7.961 12.863 -19.992 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.236 11.518 -20.099 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.975 14.015 -20.126 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.550 11.296 -21.430 1.00 0.00 C ATOM 0 H ILE A 44 10.351 11.690 -19.994 1.00 0.00 H new ATOM 0 HA ILE A 44 8.618 12.917 -22.048 1.00 0.00 H new ATOM 0 HB ILE A 44 8.425 12.931 -19.008 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.954 10.715 -19.933 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.494 11.452 -19.303 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.202 13.923 -19.363 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.501 14.961 -19.997 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.515 13.987 -21.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.059 10.323 -21.429 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.807 12.077 -21.591 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.289 11.328 -22.230 1.00 0.00 H new ATOM 685 N ASP A 45 10.302 14.818 -22.035 1.00 0.00 N ATOM 686 CA ASP A 45 11.039 16.083 -22.041 1.00 0.00 C ATOM 687 C ASP A 45 12.366 15.956 -21.294 1.00 0.00 C ATOM 688 O ASP A 45 12.786 16.877 -20.594 1.00 0.00 O ATOM 689 CB ASP A 45 10.193 17.199 -21.422 1.00 0.00 C ATOM 690 CG ASP A 45 10.849 18.561 -21.547 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.847 18.675 -22.291 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.365 19.514 -20.901 1.00 0.00 O ATOM 0 H ASP A 45 10.200 14.389 -22.955 1.00 0.00 H new ATOM 0 HA ASP A 45 11.256 16.336 -23.079 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.217 17.223 -21.907 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.020 16.978 -20.369 1.00 0.00 H new ATOM 697 N GLY A 46 13.029 14.817 -21.464 1.00 0.00 N ATOM 698 CA GLY A 46 14.310 14.596 -20.815 1.00 0.00 C ATOM 699 C GLY A 46 14.182 14.091 -19.388 1.00 0.00 C ATOM 700 O GLY A 46 15.190 13.862 -18.719 1.00 0.00 O ATOM 0 H GLY A 46 12.702 14.041 -22.040 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.885 13.876 -21.397 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.874 15.529 -20.814 1.00 0.00 H new ATOM 704 N THR A 47 12.951 13.907 -18.919 1.00 0.00 N ATOM 705 CA THR A 47 12.719 13.419 -17.564 1.00 0.00 C ATOM 706 C THR A 47 12.165 12.000 -17.588 1.00 0.00 C ATOM 707 O THR A 47 11.305 11.671 -18.406 1.00 0.00 O ATOM 708 CB THR A 47 11.749 14.343 -16.821 1.00 0.00 C ATOM 709 OG1 THR A 47 12.218 15.679 -16.830 1.00 0.00 O ATOM 710 CG2 THR A 47 11.531 13.944 -15.377 1.00 0.00 C ATOM 0 H THR A 47 12.102 14.088 -19.455 1.00 0.00 H new ATOM 0 HA THR A 47 13.675 13.412 -17.040 1.00 0.00 H new ATOM 0 HB THR A 47 10.803 14.254 -17.354 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.583 16.252 -16.352 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.834 14.639 -14.909 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.120 12.935 -15.336 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.482 13.970 -14.845 1.00 0.00 H new ATOM 718 N LEU A 48 12.690 11.154 -16.713 1.00 0.00 N ATOM 719 CA LEU A 48 12.273 9.758 -16.668 1.00 0.00 C ATOM 720 C LEU A 48 10.924 9.604 -15.978 1.00 0.00 C ATOM 721 O LEU A 48 10.762 9.919 -14.799 1.00 0.00 O ATOM 722 CB LEU A 48 13.325 8.914 -15.947 1.00 0.00 C ATOM 723 CG LEU A 48 14.594 8.631 -16.753 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.697 8.109 -15.846 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.303 7.638 -17.869 1.00 0.00 C ATOM 0 H LEU A 48 13.402 11.407 -16.028 1.00 0.00 H new ATOM 0 HA LEU A 48 12.172 9.408 -17.695 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.605 9.422 -15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.874 7.963 -15.664 1.00 0.00 H new ATOM 0 HG LEU A 48 14.934 9.564 -17.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.592 7.913 -16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.922 8.853 -15.082 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.369 7.186 -15.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.216 7.447 -18.433 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.940 6.704 -17.440 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.545 8.051 -18.534 1.00 0.00 H new ATOM 737 N LYS A 49 9.957 9.113 -16.750 1.00 0.00 N ATOM 738 CA LYS A 49 8.601 8.901 -16.269 1.00 0.00 C ATOM 739 C LYS A 49 8.063 7.566 -16.771 1.00 0.00 C ATOM 740 O LYS A 49 8.597 6.990 -17.718 1.00 0.00 O ATOM 741 CB LYS A 49 7.689 10.036 -16.730 1.00 0.00 C ATOM 742 CG LYS A 49 8.149 11.406 -16.266 1.00 0.00 C ATOM 743 CD LYS A 49 7.078 12.460 -16.494 1.00 0.00 C ATOM 744 CE LYS A 49 7.492 13.803 -15.917 1.00 0.00 C ATOM 745 NZ LYS A 49 6.316 14.664 -15.612 1.00 0.00 N ATOM 0 H LYS A 49 10.095 8.852 -17.726 1.00 0.00 H new ATOM 0 HA LYS A 49 8.621 8.886 -15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.634 10.029 -17.819 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.680 9.855 -16.359 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.402 11.366 -15.207 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.057 11.687 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.889 12.564 -17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.144 12.137 -16.035 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.071 13.644 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.144 14.316 -16.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.642 15.571 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.777 14.837 -16.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.707 14.186 -14.918 1.00 0.00 H new ATOM 759 N TRP A 50 7.004 7.077 -16.138 1.00 0.00 N ATOM 760 CA TRP A 50 6.409 5.806 -16.535 1.00 0.00 C ATOM 761 C TRP A 50 5.378 6.005 -17.648 1.00 0.00 C ATOM 762 O TRP A 50 4.386 6.713 -17.474 1.00 0.00 O ATOM 763 CB TRP A 50 5.779 5.116 -15.322 1.00 0.00 C ATOM 764 CG TRP A 50 6.808 4.490 -14.433 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.476 3.321 -14.656 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.305 5.006 -13.193 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.364 3.084 -13.638 1.00 0.00 N ATOM 768 CE2 TRP A 50 8.274 4.099 -12.725 1.00 0.00 C ATOM 769 CE3 TRP A 50 7.028 6.144 -12.433 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.967 4.299 -11.536 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.718 6.339 -11.251 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.676 5.420 -10.813 1.00 0.00 C ATOM 0 H TRP A 50 6.542 7.537 -15.353 1.00 0.00 H new ATOM 0 HA TRP A 50 7.198 5.164 -16.928 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.201 5.843 -14.751 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.081 4.351 -15.662 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.327 2.676 -15.510 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.990 2.281 -13.572 1.00 0.00 H new ATOM 0 HE3 TRP A 50 6.288 6.859 -12.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.710 3.592 -11.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.513 7.217 -10.656 1.00 0.00 H new ATOM 0 HH2 TRP A 50 9.196 5.600 -9.884 1.00 0.00 H new ATOM 783 N GLN A 51 5.633 5.376 -18.794 1.00 0.00 N ATOM 784 CA GLN A 51 4.749 5.473 -19.957 1.00 0.00 C ATOM 785 C GLN A 51 5.222 4.509 -21.044 1.00 0.00 C ATOM 786 O GLN A 51 6.424 4.311 -21.213 1.00 0.00 O ATOM 787 CB GLN A 51 4.743 6.911 -20.494 1.00 0.00 C ATOM 788 CG GLN A 51 3.894 7.106 -21.740 1.00 0.00 C ATOM 789 CD GLN A 51 4.111 8.461 -22.387 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.673 8.458 -23.590 1.00 0.00 O flip ATOM 791 NE2 GLN A 51 3.778 9.497 -21.811 1.00 0.00 N flip ATOM 0 H GLN A 51 6.453 4.788 -18.944 1.00 0.00 H new ATOM 0 HA GLN A 51 3.735 5.206 -19.659 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.380 7.578 -19.712 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.768 7.209 -20.716 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.127 6.322 -22.460 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.841 6.996 -21.479 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.349 9.451 -20.887 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.931 10.401 -22.258 1.00 0.00 H new ATOM 800 N PRO A 52 4.293 3.875 -21.790 1.00 0.00 N ATOM 801 CA PRO A 52 4.659 2.918 -22.839 1.00 0.00 C ATOM 802 C PRO A 52 5.424 3.571 -23.985 1.00 0.00 C ATOM 803 O PRO A 52 4.904 3.742 -25.088 1.00 0.00 O ATOM 804 CB PRO A 52 3.320 2.355 -23.316 1.00 0.00 C ATOM 805 CG PRO A 52 2.307 3.375 -22.920 1.00 0.00 C ATOM 806 CD PRO A 52 2.831 4.024 -21.665 1.00 0.00 C ATOM 0 HA PRO A 52 5.333 2.148 -22.463 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.320 2.198 -24.395 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.110 1.391 -22.853 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.168 4.112 -23.710 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.337 2.911 -22.742 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.538 5.072 -21.602 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.452 3.532 -20.769 1.00 0.00 H new ATOM 814 N SER A 53 6.671 3.915 -23.698 1.00 0.00 N ATOM 815 CA SER A 53 7.568 4.539 -24.663 1.00 0.00 C ATOM 816 C SER A 53 9.003 4.408 -24.160 1.00 0.00 C ATOM 817 O SER A 53 9.261 4.596 -22.974 1.00 0.00 O ATOM 818 CB SER A 53 7.197 6.010 -24.864 1.00 0.00 C ATOM 819 OG SER A 53 6.843 6.620 -23.636 1.00 0.00 O ATOM 0 H SER A 53 7.093 3.768 -22.781 1.00 0.00 H new ATOM 0 HA SER A 53 7.476 4.038 -25.627 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.038 6.543 -25.309 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.365 6.086 -25.564 1.00 0.00 H new ATOM 0 HG SER A 53 6.095 7.236 -23.780 1.00 0.00 H new ATOM 825 N ASN A 54 9.929 4.049 -25.047 1.00 0.00 N ATOM 826 CA ASN A 54 11.329 3.861 -24.649 1.00 0.00 C ATOM 827 C ASN A 54 12.103 5.173 -24.604 1.00 0.00 C ATOM 828 O ASN A 54 12.411 5.767 -25.637 1.00 0.00 O ATOM 829 CB ASN A 54 12.047 2.883 -25.589 1.00 0.00 C ATOM 830 CG ASN A 54 11.110 1.881 -26.238 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.558 1.006 -25.571 1.00 0.00 O ATOM 832 ND2 ASN A 54 10.939 1.996 -27.549 1.00 0.00 N ATOM 0 H ASN A 54 9.742 3.883 -26.036 1.00 0.00 H new ATOM 0 HA ASN A 54 11.303 3.446 -23.641 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.560 3.448 -26.367 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.812 2.345 -25.028 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.330 1.344 -28.043 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.416 2.737 -28.063 1.00 0.00 H new ATOM 839 N PHE A 55 12.439 5.597 -23.391 1.00 0.00 N ATOM 840 CA PHE A 55 13.208 6.818 -23.180 1.00 0.00 C ATOM 841 C PHE A 55 14.457 6.838 -24.067 1.00 0.00 C ATOM 842 O PHE A 55 14.931 7.898 -24.474 1.00 0.00 O ATOM 843 CB PHE A 55 13.606 6.935 -21.702 1.00 0.00 C ATOM 844 CG PHE A 55 14.366 5.745 -21.176 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.718 5.597 -21.439 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.725 4.775 -20.421 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.417 4.504 -20.960 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.419 3.680 -19.940 1.00 0.00 C ATOM 849 CZ PHE A 55 15.765 3.544 -20.210 1.00 0.00 C ATOM 0 H PHE A 55 12.188 5.108 -22.532 1.00 0.00 H new ATOM 0 HA PHE A 55 12.585 7.670 -23.452 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.215 7.829 -21.570 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.705 7.071 -21.103 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.232 6.344 -22.025 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.671 4.876 -20.206 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.471 4.401 -21.172 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.907 2.931 -19.353 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.308 2.689 -19.836 1.00 0.00 H new ATOM 859 N SER A 56 14.980 5.646 -24.352 1.00 0.00 N ATOM 860 CA SER A 56 16.189 5.481 -25.164 1.00 0.00 C ATOM 861 C SER A 56 16.157 6.272 -26.476 1.00 0.00 C ATOM 862 O SER A 56 17.202 6.492 -27.089 1.00 0.00 O ATOM 863 CB SER A 56 16.412 4.002 -25.474 1.00 0.00 C ATOM 864 OG SER A 56 15.307 3.452 -26.170 1.00 0.00 O ATOM 0 H SER A 56 14.579 4.766 -24.027 1.00 0.00 H new ATOM 0 HA SER A 56 17.011 5.880 -24.570 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.316 3.885 -26.072 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.570 3.453 -24.546 1.00 0.00 H new ATOM 0 HG SER A 56 15.477 2.505 -26.357 1.00 0.00 H new ATOM 870 N GLN A 57 14.974 6.685 -26.920 1.00 0.00 N ATOM 871 CA GLN A 57 14.861 7.423 -28.176 1.00 0.00 C ATOM 872 C GLN A 57 15.598 8.760 -28.107 1.00 0.00 C ATOM 873 O GLN A 57 16.029 9.289 -29.131 1.00 0.00 O ATOM 874 CB GLN A 57 13.390 7.651 -28.533 1.00 0.00 C ATOM 875 CG GLN A 57 12.652 6.374 -28.907 1.00 0.00 C ATOM 876 CD GLN A 57 12.252 6.333 -30.369 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.079 6.079 -31.245 1.00 0.00 O ATOM 878 NE2 GLN A 57 10.976 6.582 -30.641 1.00 0.00 N ATOM 0 H GLN A 57 14.090 6.525 -26.437 1.00 0.00 H new ATOM 0 HA GLN A 57 15.327 6.821 -28.956 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.887 8.117 -27.686 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.331 8.353 -29.365 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.285 5.515 -28.684 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.760 6.281 -28.288 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.324 6.788 -29.884 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.648 6.567 -31.607 1.00 0.00 H new ATOM 887 N THR A 58 15.755 9.299 -26.900 1.00 0.00 N ATOM 888 CA THR A 58 16.457 10.570 -26.728 1.00 0.00 C ATOM 889 C THR A 58 17.505 10.487 -25.617 1.00 0.00 C ATOM 890 O THR A 58 18.184 11.472 -25.327 1.00 0.00 O ATOM 891 CB THR A 58 15.473 11.694 -26.391 1.00 0.00 C ATOM 892 OG1 THR A 58 15.142 11.668 -25.016 1.00 0.00 O ATOM 893 CG2 THR A 58 14.174 11.623 -27.164 1.00 0.00 C ATOM 0 H THR A 58 15.410 8.882 -26.035 1.00 0.00 H new ATOM 0 HA THR A 58 16.956 10.786 -27.673 1.00 0.00 H new ATOM 0 HB THR A 58 15.990 12.613 -26.668 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.284 12.557 -24.629 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.530 12.452 -26.870 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.382 11.686 -28.232 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.673 10.680 -26.947 1.00 0.00 H new ATOM 901 N CYS A 59 17.622 9.327 -24.977 1.00 0.00 N ATOM 902 CA CYS A 59 18.576 9.162 -23.886 1.00 0.00 C ATOM 903 C CYS A 59 19.739 8.258 -24.276 1.00 0.00 C ATOM 904 O CYS A 59 19.592 7.349 -25.094 1.00 0.00 O ATOM 905 CB CYS A 59 17.873 8.589 -22.654 1.00 0.00 C ATOM 906 SG CYS A 59 16.249 9.336 -22.306 1.00 0.00 S ATOM 0 H CYS A 59 17.073 8.495 -25.193 1.00 0.00 H new ATOM 0 HA CYS A 59 18.980 10.148 -23.657 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.745 7.515 -22.789 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.517 8.726 -21.785 1.00 0.00 H new ATOM 911 N TYR A 60 20.906 8.534 -23.694 1.00 0.00 N ATOM 912 CA TYR A 60 22.115 7.759 -23.971 1.00 0.00 C ATOM 913 C TYR A 60 22.946 7.584 -22.702 1.00 0.00 C ATOM 914 O TYR A 60 22.813 8.353 -21.748 1.00 0.00 O ATOM 915 CB TYR A 60 22.956 8.439 -25.054 1.00 0.00 C ATOM 916 CG TYR A 60 23.504 9.789 -24.647 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.653 10.846 -24.356 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.874 10.004 -24.553 1.00 0.00 C ATOM 919 CE1 TYR A 60 23.150 12.080 -23.984 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.378 11.236 -24.181 1.00 0.00 C ATOM 921 CZ TYR A 60 24.512 12.270 -23.898 1.00 0.00 C ATOM 922 OH TYR A 60 25.010 13.498 -23.529 1.00 0.00 O ATOM 0 H TYR A 60 21.040 9.292 -23.025 1.00 0.00 H new ATOM 0 HA TYR A 60 21.810 6.776 -24.329 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.787 7.785 -25.319 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.348 8.560 -25.950 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.585 10.701 -24.421 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.555 9.196 -24.774 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.474 12.892 -23.762 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.445 11.388 -24.112 1.00 0.00 H new ATOM 0 HH TYR A 60 24.446 14.206 -23.904 1.00 0.00 H new ATOM 932 N ASN A 61 23.785 6.551 -22.692 1.00 0.00 N ATOM 933 CA ASN A 61 24.628 6.256 -21.539 1.00 0.00 C ATOM 934 C ASN A 61 23.773 5.909 -20.323 1.00 0.00 C ATOM 935 O ASN A 61 24.017 6.394 -19.217 1.00 0.00 O ATOM 936 CB ASN A 61 25.544 7.442 -21.223 1.00 0.00 C ATOM 937 CG ASN A 61 26.670 7.592 -22.230 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.871 8.667 -22.796 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.412 6.514 -22.458 1.00 0.00 N ATOM 0 H ASN A 61 23.898 5.904 -23.472 1.00 0.00 H new ATOM 0 HA ASN A 61 25.249 5.394 -21.783 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.953 8.358 -21.204 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.967 7.315 -20.226 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.183 6.557 -23.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.211 5.643 -21.967 1.00 0.00 H new ATOM 946 N SER A 62 22.765 5.070 -20.542 1.00 0.00 N ATOM 947 CA SER A 62 21.872 4.650 -19.469 1.00 0.00 C ATOM 948 C SER A 62 22.613 3.774 -18.469 1.00 0.00 C ATOM 949 O SER A 62 23.393 2.902 -18.850 1.00 0.00 O ATOM 950 CB SER A 62 20.667 3.899 -20.041 1.00 0.00 C ATOM 951 OG SER A 62 19.882 4.742 -20.866 1.00 0.00 O ATOM 0 H SER A 62 22.547 4.668 -21.454 1.00 0.00 H new ATOM 0 HA SER A 62 21.515 5.540 -18.951 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.011 3.040 -20.617 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.056 3.512 -19.226 1.00 0.00 H new ATOM 0 HG SER A 62 19.408 4.200 -21.531 1.00 0.00 H new ATOM 957 N ALA A 63 22.364 4.015 -17.186 1.00 0.00 N ATOM 958 CA ALA A 63 23.012 3.252 -16.124 1.00 0.00 C ATOM 959 C ALA A 63 22.067 2.993 -14.955 1.00 0.00 C ATOM 960 O ALA A 63 21.143 3.768 -14.705 1.00 0.00 O ATOM 961 CB ALA A 63 24.252 3.981 -15.638 1.00 0.00 C ATOM 0 H ALA A 63 21.718 4.732 -16.856 1.00 0.00 H new ATOM 0 HA ALA A 63 23.298 2.286 -16.540 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.727 3.402 -14.846 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.950 4.104 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.970 4.961 -15.253 1.00 0.00 H new ATOM 967 N ILE A 64 22.307 1.899 -14.238 1.00 0.00 N ATOM 968 CA ILE A 64 21.476 1.545 -13.098 1.00 0.00 C ATOM 969 C ILE A 64 22.312 1.213 -11.864 1.00 0.00 C ATOM 970 O ILE A 64 23.336 0.536 -11.949 1.00 0.00 O ATOM 971 CB ILE A 64 20.549 0.363 -13.437 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.524 0.817 -14.477 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.852 -0.162 -12.186 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.480 -0.223 -14.802 1.00 0.00 C ATOM 0 H ILE A 64 23.068 1.246 -14.427 1.00 0.00 H new ATOM 0 HA ILE A 64 20.867 2.419 -12.867 1.00 0.00 H new ATOM 0 HB ILE A 64 21.145 -0.454 -13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 64 19.026 1.716 -14.114 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.047 1.091 -15.393 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.204 -0.996 -12.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.599 -0.499 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.254 0.634 -11.741 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.790 0.174 -15.547 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.966 -1.115 -15.197 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.929 -0.480 -13.898 1.00 0.00 H new ATOM 986 N GLN A 65 21.840 1.682 -10.715 1.00 0.00 N ATOM 987 CA GLN A 65 22.501 1.436 -9.439 1.00 0.00 C ATOM 988 C GLN A 65 21.447 1.085 -8.400 1.00 0.00 C ATOM 989 O GLN A 65 20.636 1.926 -8.014 1.00 0.00 O ATOM 990 CB GLN A 65 23.302 2.664 -8.994 1.00 0.00 C ATOM 991 CG GLN A 65 24.646 2.799 -9.695 1.00 0.00 C ATOM 992 CD GLN A 65 25.270 4.170 -9.515 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.225 4.749 -8.429 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.859 4.697 -10.583 1.00 0.00 N ATOM 0 H GLN A 65 20.991 2.242 -10.641 1.00 0.00 H new ATOM 0 HA GLN A 65 23.200 0.607 -9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.711 3.561 -9.182 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.466 2.610 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.329 2.041 -9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.517 2.601 -10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.873 4.182 -11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.297 5.616 -10.522 1.00 0.00 H new ATOM 1003 N GLY A 66 21.440 -0.172 -7.976 1.00 0.00 N ATOM 1004 CA GLY A 66 20.453 -0.617 -7.014 1.00 0.00 C ATOM 1005 C GLY A 66 19.065 -0.642 -7.624 1.00 0.00 C ATOM 1006 O GLY A 66 18.833 -1.344 -8.608 1.00 0.00 O ATOM 0 H GLY A 66 22.098 -0.889 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.714 -1.613 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.461 0.045 -6.148 1.00 0.00 H new ATOM 1010 N SER A 67 18.131 0.102 -7.039 1.00 0.00 N ATOM 1011 CA SER A 67 16.763 0.127 -7.544 1.00 0.00 C ATOM 1012 C SER A 67 16.471 1.381 -8.369 1.00 0.00 C ATOM 1013 O SER A 67 15.384 1.514 -8.930 1.00 0.00 O ATOM 1014 CB SER A 67 15.775 0.038 -6.380 1.00 0.00 C ATOM 1015 OG SER A 67 15.611 1.299 -5.754 1.00 0.00 O ATOM 0 H SER A 67 18.294 0.691 -6.222 1.00 0.00 H new ATOM 0 HA SER A 67 16.646 -0.735 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.811 -0.320 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.131 -0.690 -5.651 1.00 0.00 H new ATOM 0 HG SER A 67 14.974 1.217 -5.014 1.00 0.00 H new ATOM 1021 N VAL A 68 17.431 2.300 -8.445 1.00 0.00 N ATOM 1022 CA VAL A 68 17.234 3.536 -9.206 1.00 0.00 C ATOM 1023 C VAL A 68 17.918 3.494 -10.572 1.00 0.00 C ATOM 1024 O VAL A 68 19.023 2.969 -10.716 1.00 0.00 O ATOM 1025 CB VAL A 68 17.747 4.768 -8.439 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.212 6.042 -9.077 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.351 4.695 -6.972 1.00 0.00 C ATOM 0 H VAL A 68 18.343 2.217 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 68 16.157 3.619 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 68 18.836 4.781 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.581 6.907 -8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.549 6.100 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.122 6.033 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.724 5.576 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.265 4.658 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.780 3.799 -6.524 1.00 0.00 H new ATOM 1037 N LEU A 69 17.244 4.053 -11.574 1.00 0.00 N ATOM 1038 CA LEU A 69 17.770 4.093 -12.932 1.00 0.00 C ATOM 1039 C LEU A 69 18.315 5.486 -13.253 1.00 0.00 C ATOM 1040 O LEU A 69 17.600 6.486 -13.144 1.00 0.00 O ATOM 1041 CB LEU A 69 16.663 3.691 -13.921 1.00 0.00 C ATOM 1042 CG LEU A 69 16.889 4.076 -15.386 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.234 3.565 -15.875 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.764 3.529 -16.253 1.00 0.00 C ATOM 0 H LEU A 69 16.327 4.487 -11.468 1.00 0.00 H new ATOM 0 HA LEU A 69 18.594 3.386 -13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.533 2.610 -13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.728 4.142 -13.589 1.00 0.00 H new ATOM 0 HG LEU A 69 16.891 5.163 -15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.374 3.850 -16.918 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.030 3.999 -15.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.264 2.479 -15.788 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.936 3.809 -17.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.736 2.443 -16.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.813 3.943 -15.918 1.00 0.00 H new ATOM 1056 N THR A 70 19.588 5.549 -13.643 1.00 0.00 N ATOM 1057 CA THR A 70 20.231 6.814 -13.980 1.00 0.00 C ATOM 1058 C THR A 70 20.590 6.832 -15.461 1.00 0.00 C ATOM 1059 O THR A 70 21.270 5.933 -15.949 1.00 0.00 O ATOM 1060 CB THR A 70 21.495 7.005 -13.136 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.277 6.582 -11.802 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.979 8.439 -13.087 1.00 0.00 C ATOM 0 H THR A 70 20.194 4.734 -13.733 1.00 0.00 H new ATOM 0 HA THR A 70 19.539 7.629 -13.768 1.00 0.00 H new ATOM 0 HB THR A 70 22.258 6.399 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.096 6.711 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.877 8.499 -12.472 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.207 8.781 -14.097 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.202 9.071 -12.657 1.00 0.00 H new ATOM 1070 N SER A 71 20.116 7.840 -16.179 1.00 0.00 N ATOM 1071 CA SER A 71 20.383 7.937 -17.612 1.00 0.00 C ATOM 1072 C SER A 71 20.372 9.387 -18.083 1.00 0.00 C ATOM 1073 O SER A 71 19.704 10.234 -17.490 1.00 0.00 O ATOM 1074 CB SER A 71 19.359 7.116 -18.396 1.00 0.00 C ATOM 1075 OG SER A 71 19.336 7.496 -19.761 1.00 0.00 O ATOM 0 H SER A 71 19.549 8.598 -15.799 1.00 0.00 H new ATOM 0 HA SER A 71 21.379 7.534 -17.796 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.599 6.056 -18.315 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.369 7.253 -17.961 1.00 0.00 H new ATOM 0 HG SER A 71 19.502 6.710 -20.322 1.00 0.00 H new ATOM 1081 N THR A 72 21.096 9.669 -19.166 1.00 0.00 N ATOM 1082 CA THR A 72 21.132 11.015 -19.719 1.00 0.00 C ATOM 1083 C THR A 72 20.095 11.139 -20.835 1.00 0.00 C ATOM 1084 O THR A 72 20.070 10.325 -21.757 1.00 0.00 O ATOM 1085 CB THR A 72 22.531 11.340 -20.251 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.521 11.006 -19.294 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.714 12.799 -20.606 1.00 0.00 C ATOM 0 H THR A 72 21.660 8.986 -19.672 1.00 0.00 H new ATOM 0 HA THR A 72 20.894 11.729 -18.930 1.00 0.00 H new ATOM 0 HB THR A 72 22.639 10.745 -21.158 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.408 11.219 -19.653 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.727 12.959 -20.976 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.997 13.078 -21.378 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.550 13.412 -19.720 1.00 0.00 H new ATOM 1095 N CYS A 73 19.224 12.142 -20.737 1.00 0.00 N ATOM 1096 CA CYS A 73 18.173 12.329 -21.735 1.00 0.00 C ATOM 1097 C CYS A 73 18.177 13.729 -22.334 1.00 0.00 C ATOM 1098 O CYS A 73 18.430 14.717 -21.645 1.00 0.00 O ATOM 1099 CB CYS A 73 16.802 12.062 -21.114 1.00 0.00 C ATOM 1100 SG CYS A 73 16.548 10.343 -20.571 1.00 0.00 S ATOM 0 H CYS A 73 19.224 12.831 -19.985 1.00 0.00 H new ATOM 0 HA CYS A 73 18.375 11.618 -22.537 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.668 12.724 -20.259 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.031 12.319 -21.840 1.00 0.00 H new ATOM 1105 N GLU A 74 17.832 13.802 -23.616 1.00 0.00 N ATOM 1106 CA GLU A 74 17.743 15.077 -24.321 1.00 0.00 C ATOM 1107 C GLU A 74 16.477 15.826 -23.903 1.00 0.00 C ATOM 1108 O GLU A 74 15.405 15.229 -23.802 1.00 0.00 O ATOM 1109 CB GLU A 74 17.747 14.853 -25.836 1.00 0.00 C ATOM 1110 CG GLU A 74 17.956 16.128 -26.638 1.00 0.00 C ATOM 1111 CD GLU A 74 17.252 16.097 -27.980 1.00 0.00 C ATOM 1112 OE1 GLU A 74 16.055 16.448 -28.032 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.899 15.722 -28.981 1.00 0.00 O ATOM 0 H GLU A 74 17.608 12.989 -24.190 1.00 0.00 H new ATOM 0 HA GLU A 74 18.612 15.680 -24.056 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.534 14.142 -26.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.801 14.399 -26.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.593 16.979 -26.061 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.023 16.282 -26.796 1.00 0.00 H new ATOM 1120 N ARG A 75 16.600 17.128 -23.664 1.00 0.00 N ATOM 1121 CA ARG A 75 15.452 17.939 -23.261 1.00 0.00 C ATOM 1122 C ARG A 75 14.785 18.581 -24.474 1.00 0.00 C ATOM 1123 O ARG A 75 15.456 18.958 -25.434 1.00 0.00 O ATOM 1124 CB ARG A 75 15.882 19.028 -22.277 1.00 0.00 C ATOM 1125 CG ARG A 75 16.726 18.515 -21.124 1.00 0.00 C ATOM 1126 CD ARG A 75 16.871 19.565 -20.035 1.00 0.00 C ATOM 1127 NE ARG A 75 15.751 19.536 -19.098 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.614 20.381 -18.080 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.488 21.363 -17.901 1.00 0.00 N ATOM 1130 NH2 ARG A 75 14.591 20.251 -17.247 1.00 0.00 N ATOM 0 H ARG A 75 17.477 17.643 -23.741 1.00 0.00 H new ATOM 0 HA ARG A 75 14.734 17.279 -22.774 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.445 19.790 -22.816 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.992 19.514 -21.876 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.269 17.617 -20.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.712 18.230 -21.491 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.802 19.400 -19.493 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.938 20.553 -20.490 1.00 0.00 H new ATOM 0 HE ARG A 75 15.031 18.826 -19.232 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.270 21.473 -18.546 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.377 22.008 -17.118 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.911 19.504 -17.387 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.484 20.898 -16.466 1.00 0.00 H new ATOM 1144 N THR A 76 13.460 18.697 -24.427 1.00 0.00 N ATOM 1145 CA THR A 76 12.699 19.289 -25.525 1.00 0.00 C ATOM 1146 C THR A 76 13.250 20.661 -25.918 1.00 0.00 C ATOM 1147 O THR A 76 13.091 21.098 -27.058 1.00 0.00 O ATOM 1148 CB THR A 76 11.223 19.406 -25.137 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.712 18.147 -24.734 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.344 19.919 -26.257 1.00 0.00 C ATOM 0 H THR A 76 12.890 18.388 -23.639 1.00 0.00 H new ATOM 0 HA THR A 76 12.795 18.632 -26.390 1.00 0.00 H new ATOM 0 HB THR A 76 11.197 20.127 -24.320 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.768 18.241 -24.488 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.312 19.977 -25.912 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.681 20.910 -26.559 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.405 19.240 -27.107 1.00 0.00 H new ATOM 1158 N ASN A 77 13.900 21.337 -24.972 1.00 0.00 N ATOM 1159 CA ASN A 77 14.474 22.655 -25.236 1.00 0.00 C ATOM 1160 C ASN A 77 15.840 22.537 -25.913 1.00 0.00 C ATOM 1161 O ASN A 77 16.481 23.543 -26.217 1.00 0.00 O ATOM 1162 CB ASN A 77 14.607 23.445 -23.931 1.00 0.00 C ATOM 1163 CG ASN A 77 14.693 24.943 -24.159 1.00 0.00 C ATOM 1164 OD1 ASN A 77 13.686 25.649 -24.110 1.00 0.00 O ATOM 1165 ND2 ASN A 77 15.901 25.437 -24.405 1.00 0.00 N ATOM 0 H ASN A 77 14.042 20.996 -24.021 1.00 0.00 H new ATOM 0 HA ASN A 77 13.802 23.185 -25.911 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.752 23.228 -23.291 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.497 23.111 -23.398 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.020 26.438 -24.562 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.709 24.816 -24.437 1.00 0.00 H new ATOM 1172 N GLY A 78 16.277 21.304 -26.154 1.00 0.00 N ATOM 1173 CA GLY A 78 17.556 21.079 -26.797 1.00 0.00 C ATOM 1174 C GLY A 78 18.688 20.906 -25.810 1.00 0.00 C ATOM 1175 O GLY A 78 18.795 21.640 -24.828 1.00 0.00 O ATOM 0 H GLY A 78 15.765 20.455 -25.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.490 20.191 -27.426 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.779 21.919 -27.455 1.00 0.00 H new ATOM 1179 N GLY A 79 19.516 19.913 -26.072 1.00 0.00 N ATOM 1180 CA GLY A 79 20.637 19.613 -25.200 1.00 0.00 C ATOM 1181 C GLY A 79 20.470 18.268 -24.527 1.00 0.00 C ATOM 1182 O GLY A 79 19.629 17.474 -24.945 1.00 0.00 O ATOM 0 H GLY A 79 19.434 19.299 -26.883 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.561 19.620 -25.778 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.729 20.391 -24.443 1.00 0.00 H new ATOM 1186 N TYR A 80 21.271 18.000 -23.498 1.00 0.00 N ATOM 1187 CA TYR A 80 21.192 16.725 -22.785 1.00 0.00 C ATOM 1188 C TYR A 80 21.137 16.937 -21.275 1.00 0.00 C ATOM 1189 O TYR A 80 21.767 17.849 -20.739 1.00 0.00 O ATOM 1190 CB TYR A 80 22.388 15.841 -23.137 1.00 0.00 C ATOM 1191 CG TYR A 80 22.465 15.490 -24.603 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.505 14.680 -25.195 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.495 15.975 -25.397 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.569 14.364 -26.538 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.567 15.663 -26.740 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.602 14.857 -27.306 1.00 0.00 C ATOM 1197 OH TYR A 80 22.671 14.543 -28.643 1.00 0.00 O ATOM 0 H TYR A 80 21.978 18.643 -23.140 1.00 0.00 H new ATOM 0 HA TYR A 80 20.273 16.229 -23.097 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.306 16.351 -22.845 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.335 14.922 -22.554 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.695 14.291 -24.596 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.252 16.607 -24.957 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.814 13.734 -26.984 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.375 16.048 -27.344 1.00 0.00 H new ATOM 0 HH TYR A 80 23.458 14.971 -29.039 1.00 0.00 H new ATOM 1207 N ASN A 81 20.368 16.088 -20.601 1.00 0.00 N ATOM 1208 CA ASN A 81 20.212 16.165 -19.154 1.00 0.00 C ATOM 1209 C ASN A 81 19.846 14.793 -18.587 1.00 0.00 C ATOM 1210 O ASN A 81 18.948 14.121 -19.094 1.00 0.00 O ATOM 1211 CB ASN A 81 19.140 17.198 -18.796 1.00 0.00 C ATOM 1212 CG ASN A 81 19.098 17.505 -17.313 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.045 17.421 -16.680 1.00 0.00 O ATOM 1214 ND2 ASN A 81 20.245 17.866 -16.749 1.00 0.00 N ATOM 0 H ASN A 81 19.840 15.333 -21.039 1.00 0.00 H new ATOM 0 HA ASN A 81 21.158 16.478 -18.713 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.329 18.118 -19.348 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.165 16.829 -19.115 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.277 18.087 -15.754 1.00 0.00 H new ATOM 0 HD22 ASN A 81 21.094 17.923 -17.311 1.00 0.00 H new ATOM 1221 N THR A 82 20.561 14.377 -17.547 1.00 0.00 N ATOM 1222 CA THR A 82 20.331 13.077 -16.916 1.00 0.00 C ATOM 1223 C THR A 82 19.386 13.189 -15.724 1.00 0.00 C ATOM 1224 O THR A 82 19.520 14.090 -14.896 1.00 0.00 O ATOM 1225 CB THR A 82 21.657 12.443 -16.494 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.435 11.302 -15.684 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.553 13.388 -15.728 1.00 0.00 C ATOM 0 H THR A 82 21.309 14.923 -17.119 1.00 0.00 H new ATOM 0 HA THR A 82 19.854 12.432 -17.654 1.00 0.00 H new ATOM 0 HB THR A 82 22.156 12.171 -17.424 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.741 10.742 -16.090 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.477 12.876 -15.459 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.786 14.253 -16.349 1.00 0.00 H new ATOM 0 HG23 THR A 82 22.044 13.718 -14.822 1.00 0.00 H new ATOM 1235 N SER A 83 18.425 12.268 -15.649 1.00 0.00 N ATOM 1236 CA SER A 83 17.443 12.248 -14.571 1.00 0.00 C ATOM 1237 C SER A 83 17.468 10.901 -13.842 1.00 0.00 C ATOM 1238 O SER A 83 17.930 9.896 -14.389 1.00 0.00 O ATOM 1239 CB SER A 83 16.043 12.510 -15.130 1.00 0.00 C ATOM 1240 OG SER A 83 15.529 11.359 -15.779 1.00 0.00 O ATOM 0 H SER A 83 18.308 11.519 -16.332 1.00 0.00 H new ATOM 0 HA SER A 83 17.698 13.034 -13.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.374 12.804 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.079 13.342 -15.833 1.00 0.00 H new ATOM 0 HG SER A 83 16.259 10.881 -16.225 1.00 0.00 H new ATOM 1246 N SER A 84 16.976 10.885 -12.607 1.00 0.00 N ATOM 1247 CA SER A 84 16.948 9.661 -11.818 1.00 0.00 C ATOM 1248 C SER A 84 15.528 9.324 -11.374 1.00 0.00 C ATOM 1249 O SER A 84 14.719 10.215 -11.117 1.00 0.00 O ATOM 1250 CB SER A 84 17.856 9.794 -10.594 1.00 0.00 C ATOM 1251 OG SER A 84 17.848 11.121 -10.096 1.00 0.00 O ATOM 0 H SER A 84 16.593 11.703 -12.134 1.00 0.00 H new ATOM 0 HA SER A 84 17.313 8.850 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.524 9.108 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.874 9.508 -10.859 1.00 0.00 H new ATOM 0 HG SER A 84 18.434 11.180 -9.313 1.00 0.00 H new ATOM 1257 N ILE A 85 15.232 8.029 -11.284 1.00 0.00 N ATOM 1258 CA ILE A 85 13.905 7.579 -10.872 1.00 0.00 C ATOM 1259 C ILE A 85 13.971 6.284 -10.058 1.00 0.00 C ATOM 1260 O ILE A 85 14.786 5.406 -10.340 1.00 0.00 O ATOM 1261 CB ILE A 85 12.994 7.378 -12.098 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.566 7.060 -11.659 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.541 6.279 -12.998 1.00 0.00 C ATOM 1264 CD1 ILE A 85 10.609 6.879 -12.817 1.00 0.00 C ATOM 0 H ILE A 85 15.889 7.277 -11.490 1.00 0.00 H new ATOM 0 HA ILE A 85 13.485 8.358 -10.235 1.00 0.00 H new ATOM 0 HB ILE A 85 12.976 8.306 -12.669 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.572 6.151 -11.057 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.203 7.864 -11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.884 6.152 -13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.539 6.553 -13.341 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.593 5.344 -12.440 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.613 6.656 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.574 7.795 -13.407 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.950 6.056 -13.445 1.00 0.00 H new ATOM 1276 N ASP A 86 13.099 6.173 -9.052 1.00 0.00 N ATOM 1277 CA ASP A 86 13.046 4.988 -8.189 1.00 0.00 C ATOM 1278 C ASP A 86 11.954 4.021 -8.657 1.00 0.00 C ATOM 1279 O ASP A 86 10.773 4.369 -8.672 1.00 0.00 O ATOM 1280 CB ASP A 86 12.784 5.409 -6.741 1.00 0.00 C ATOM 1281 CG ASP A 86 12.885 4.247 -5.772 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.011 3.357 -5.820 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.838 4.229 -4.965 1.00 0.00 O ATOM 0 H ASP A 86 12.417 6.893 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 86 14.007 4.476 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.499 6.180 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.791 5.853 -6.669 1.00 0.00 H new ATOM 1288 N LEU A 87 12.359 2.816 -9.058 1.00 0.00 N ATOM 1289 CA LEU A 87 11.413 1.810 -9.561 1.00 0.00 C ATOM 1290 C LEU A 87 11.010 0.766 -8.513 1.00 0.00 C ATOM 1291 O LEU A 87 10.178 -0.095 -8.794 1.00 0.00 O ATOM 1292 CB LEU A 87 11.997 1.112 -10.787 1.00 0.00 C ATOM 1293 CG LEU A 87 12.668 2.044 -11.797 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.527 1.250 -12.768 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.620 2.856 -12.547 1.00 0.00 C ATOM 0 H LEU A 87 13.332 2.510 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 87 10.504 2.350 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.727 0.374 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.199 0.566 -11.291 1.00 0.00 H new ATOM 0 HG LEU A 87 13.315 2.734 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.996 1.930 -13.479 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.299 0.713 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.903 0.537 -13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.113 3.514 -13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.949 2.181 -13.078 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.047 3.454 -11.838 1.00 0.00 H new ATOM 1307 N ASN A 88 11.606 0.810 -7.322 1.00 0.00 N ATOM 1308 CA ASN A 88 11.298 -0.178 -6.279 1.00 0.00 C ATOM 1309 C ASN A 88 9.793 -0.425 -6.146 1.00 0.00 C ATOM 1310 O ASN A 88 9.373 -1.506 -5.733 1.00 0.00 O ATOM 1311 CB ASN A 88 11.849 0.303 -4.934 1.00 0.00 C ATOM 1312 CG ASN A 88 11.826 -0.782 -3.876 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.404 -1.933 -4.197 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.294 -0.588 -2.782 1.00 0.00 N flip ATOM 0 H ASN A 88 12.298 1.510 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 88 11.769 -1.117 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.872 0.653 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.263 1.155 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.861 0.313 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.286 -1.328 -2.080 1.00 0.00 H new ATOM 1321 N SER A 89 8.984 0.568 -6.495 1.00 0.00 N ATOM 1322 CA SER A 89 7.532 0.430 -6.403 1.00 0.00 C ATOM 1323 C SER A 89 6.932 -0.305 -7.607 1.00 0.00 C ATOM 1324 O SER A 89 6.019 -1.117 -7.450 1.00 0.00 O ATOM 1325 CB SER A 89 6.878 1.805 -6.261 1.00 0.00 C ATOM 1326 OG SER A 89 5.621 1.707 -5.614 1.00 0.00 O ATOM 0 H SER A 89 9.304 1.472 -6.842 1.00 0.00 H new ATOM 0 HA SER A 89 7.328 -0.172 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.533 2.466 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.750 2.254 -7.246 1.00 0.00 H new ATOM 0 HG SER A 89 5.224 2.599 -5.534 1.00 0.00 H new ATOM 1332 N VAL A 90 7.413 0.012 -8.807 1.00 0.00 N ATOM 1333 CA VAL A 90 6.881 -0.595 -10.028 1.00 0.00 C ATOM 1334 C VAL A 90 7.250 -2.076 -10.186 1.00 0.00 C ATOM 1335 O VAL A 90 6.375 -2.910 -10.419 1.00 0.00 O ATOM 1336 CB VAL A 90 7.311 0.192 -11.291 1.00 0.00 C ATOM 1337 CG1 VAL A 90 7.151 1.686 -11.068 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.743 -0.130 -11.693 1.00 0.00 C ATOM 0 H VAL A 90 8.166 0.682 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 90 5.797 -0.543 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 90 6.658 -0.117 -12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.458 2.223 -11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.107 1.912 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.773 1.997 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.008 0.441 -12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.418 0.133 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.830 -1.195 -11.906 1.00 0.00 H new ATOM 1348 N ILE A 91 8.536 -2.404 -10.087 1.00 0.00 N ATOM 1349 CA ILE A 91 8.976 -3.788 -10.248 1.00 0.00 C ATOM 1350 C ILE A 91 8.830 -4.581 -8.945 1.00 0.00 C ATOM 1351 O ILE A 91 8.961 -4.031 -7.851 1.00 0.00 O ATOM 1352 CB ILE A 91 10.432 -3.853 -10.775 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.488 -3.302 -12.208 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.972 -5.278 -10.734 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.191 -1.966 -12.318 1.00 0.00 C ATOM 0 H ILE A 91 9.285 -1.738 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 91 8.326 -4.252 -10.990 1.00 0.00 H new ATOM 0 HB ILE A 91 11.060 -3.242 -10.127 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.997 -4.024 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.472 -3.201 -12.589 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.995 -5.290 -11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.958 -5.643 -9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.349 -5.921 -11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.192 -1.640 -13.358 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.670 -1.229 -11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.219 -2.066 -11.968 1.00 0.00 H new ATOM 1367 N GLU A 92 8.534 -5.876 -9.077 1.00 0.00 N ATOM 1368 CA GLU A 92 8.336 -6.757 -7.927 1.00 0.00 C ATOM 1369 C GLU A 92 9.020 -8.099 -8.177 1.00 0.00 C ATOM 1370 O GLU A 92 9.369 -8.409 -9.314 1.00 0.00 O ATOM 1371 CB GLU A 92 6.834 -6.986 -7.711 1.00 0.00 C ATOM 1372 CG GLU A 92 6.466 -7.411 -6.297 1.00 0.00 C ATOM 1373 CD GLU A 92 4.967 -7.393 -6.056 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.256 -6.679 -6.794 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.506 -8.092 -5.130 1.00 0.00 O ATOM 0 H GLU A 92 8.426 -6.340 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 92 8.768 -6.291 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.299 -6.068 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.490 -7.749 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.849 -8.415 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.954 -6.747 -5.583 1.00 0.00 H new ATOM 1382 N ASN A 93 9.220 -8.901 -7.130 1.00 0.00 N ATOM 1383 CA ASN A 93 9.872 -10.197 -7.298 1.00 0.00 C ATOM 1384 C ASN A 93 8.855 -11.331 -7.189 1.00 0.00 C ATOM 1385 O ASN A 93 8.472 -11.741 -6.093 1.00 0.00 O ATOM 1386 CB ASN A 93 10.978 -10.375 -6.254 1.00 0.00 C ATOM 1387 CG ASN A 93 11.670 -11.721 -6.359 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.738 -12.317 -7.435 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.188 -12.207 -5.238 1.00 0.00 N ATOM 0 H ASN A 93 8.945 -8.680 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 93 10.319 -10.230 -8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.716 -9.581 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.552 -10.267 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.666 -13.108 -5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.109 -11.679 -4.369 1.00 0.00 H new ATOM 1396 N VAL A 94 8.437 -11.830 -8.345 1.00 0.00 N ATOM 1397 CA VAL A 94 7.472 -12.923 -8.420 1.00 0.00 C ATOM 1398 C VAL A 94 8.169 -14.264 -8.626 1.00 0.00 C ATOM 1399 O VAL A 94 8.505 -14.624 -9.754 1.00 0.00 O ATOM 1400 CB VAL A 94 6.464 -12.702 -9.564 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.398 -13.788 -9.560 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.831 -11.323 -9.458 1.00 0.00 C ATOM 0 H VAL A 94 8.754 -11.492 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 94 6.939 -12.938 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 94 7.001 -12.760 -10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.697 -13.613 -10.376 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.870 -14.762 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.862 -13.769 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.122 -11.184 -10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.309 -11.234 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.608 -10.561 -9.519 1.00 0.00 H new ATOM 1412 N ASP A 95 8.378 -15.010 -7.547 1.00 0.00 N ATOM 1413 CA ASP A 95 9.027 -16.315 -7.639 1.00 0.00 C ATOM 1414 C ASP A 95 10.356 -16.231 -8.387 1.00 0.00 C ATOM 1415 O ASP A 95 10.754 -17.177 -9.065 1.00 0.00 O ATOM 1416 CB ASP A 95 8.102 -17.316 -8.333 1.00 0.00 C ATOM 1417 CG ASP A 95 8.487 -18.755 -8.046 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.215 -18.990 -7.058 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.060 -19.647 -8.810 1.00 0.00 O ATOM 0 H ASP A 95 8.109 -14.736 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 95 9.233 -16.654 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.076 -17.145 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.127 -17.144 -9.409 1.00 0.00 H new ATOM 1424 N GLY A 96 11.041 -15.096 -8.256 1.00 0.00 N ATOM 1425 CA GLY A 96 12.329 -14.920 -8.917 1.00 0.00 C ATOM 1426 C GLY A 96 12.226 -14.232 -10.266 1.00 0.00 C ATOM 1427 O GLY A 96 13.055 -14.461 -11.148 1.00 0.00 O ATOM 0 H GLY A 96 10.730 -14.296 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.984 -14.337 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.797 -15.895 -9.050 1.00 0.00 H new ATOM 1431 N SER A 97 11.210 -13.390 -10.434 1.00 0.00 N ATOM 1432 CA SER A 97 11.016 -12.676 -11.692 1.00 0.00 C ATOM 1433 C SER A 97 10.525 -11.250 -11.455 1.00 0.00 C ATOM 1434 O SER A 97 9.639 -11.016 -10.632 1.00 0.00 O ATOM 1435 CB SER A 97 10.020 -13.424 -12.578 1.00 0.00 C ATOM 1436 OG SER A 97 9.935 -12.831 -13.862 1.00 0.00 O ATOM 0 H SER A 97 10.512 -13.186 -9.719 1.00 0.00 H new ATOM 0 HA SER A 97 11.982 -12.625 -12.195 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.325 -14.466 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.037 -13.422 -12.107 1.00 0.00 H new ATOM 0 HG SER A 97 9.293 -13.329 -14.410 1.00 0.00 H new ATOM 1442 N LEU A 98 11.104 -10.300 -12.186 1.00 0.00 N ATOM 1443 CA LEU A 98 10.722 -8.897 -12.057 1.00 0.00 C ATOM 1444 C LEU A 98 9.369 -8.643 -12.716 1.00 0.00 C ATOM 1445 O LEU A 98 9.189 -8.890 -13.909 1.00 0.00 O ATOM 1446 CB LEU A 98 11.792 -7.990 -12.673 1.00 0.00 C ATOM 1447 CG LEU A 98 13.196 -8.163 -12.086 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.201 -7.294 -12.829 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.192 -7.832 -10.601 1.00 0.00 C ATOM 0 H LEU A 98 11.838 -10.476 -12.872 1.00 0.00 H new ATOM 0 HA LEU A 98 10.637 -8.664 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.836 -8.180 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.486 -6.952 -12.546 1.00 0.00 H new ATOM 0 HG LEU A 98 13.495 -9.204 -12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.192 -7.432 -12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.222 -7.580 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.910 -6.247 -12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.196 -7.959 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.872 -6.800 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.505 -8.500 -10.081 1.00 0.00 H new ATOM 1461 N LYS A 99 8.413 -8.171 -11.920 1.00 0.00 N ATOM 1462 CA LYS A 99 7.062 -7.908 -12.406 1.00 0.00 C ATOM 1463 C LYS A 99 6.612 -6.483 -12.097 1.00 0.00 C ATOM 1464 O LYS A 99 6.967 -5.916 -11.066 1.00 0.00 O ATOM 1465 CB LYS A 99 6.092 -8.905 -11.776 1.00 0.00 C ATOM 1466 CG LYS A 99 6.082 -10.260 -12.465 1.00 0.00 C ATOM 1467 CD LYS A 99 4.668 -10.702 -12.804 1.00 0.00 C ATOM 1468 CE LYS A 99 4.613 -12.183 -13.139 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.217 -12.701 -13.134 1.00 0.00 N ATOM 0 H LYS A 99 8.550 -7.962 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 99 7.067 -8.023 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.354 -9.042 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.086 -8.486 -11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.677 -10.210 -13.377 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.551 -11.002 -11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.009 -10.494 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.297 -10.123 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.059 -12.350 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.210 -12.741 -12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.222 -13.715 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.799 -12.565 -12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.653 -12.186 -13.840 1.00 0.00 H new ATOM 1483 N TYR A 100 5.823 -5.914 -13.005 1.00 0.00 N ATOM 1484 CA TYR A 100 5.310 -4.557 -12.848 1.00 0.00 C ATOM 1485 C TYR A 100 4.210 -4.504 -11.790 1.00 0.00 C ATOM 1486 O TYR A 100 4.046 -3.496 -11.102 1.00 0.00 O ATOM 1487 CB TYR A 100 4.769 -4.047 -14.187 1.00 0.00 C ATOM 1488 CG TYR A 100 4.327 -2.600 -14.164 1.00 0.00 C ATOM 1489 CD1 TYR A 100 5.237 -1.578 -13.924 1.00 0.00 C ATOM 1490 CD2 TYR A 100 2.999 -2.257 -14.390 1.00 0.00 C ATOM 1491 CE1 TYR A 100 4.836 -0.255 -13.908 1.00 0.00 C ATOM 1492 CE2 TYR A 100 2.591 -0.936 -14.378 1.00 0.00 C ATOM 1493 CZ TYR A 100 3.513 0.060 -14.136 1.00 0.00 C ATOM 1494 OH TYR A 100 3.110 1.376 -14.124 1.00 0.00 O ATOM 0 H TYR A 100 5.524 -6.377 -13.863 1.00 0.00 H new ATOM 0 HA TYR A 100 6.130 -3.918 -12.520 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.540 -4.168 -14.948 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.925 -4.669 -14.486 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.274 -1.821 -13.747 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.274 -3.035 -14.578 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.555 0.528 -13.718 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.556 -0.686 -14.557 1.00 0.00 H new ATOM 0 HH TYR A 100 2.148 1.425 -14.303 1.00 0.00 H new