USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 MET CE :methyl -167:sc= -0.104 (180deg=-0.483) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc=-0.00876 (180deg=-0.138) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 15 SER OG : rot 145:sc= -3.14! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.977 K(o=-0.98,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.969 K(o=-0.97,f=-0.087) USER MOD Single : A 33 CYS SG : rot -70:sc= 0.0311 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.29) USER MOD Single : A 36 CYS SG : rot 116:sc= -0.282 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0517 (180deg=-0.445) USER MOD Single : A 38 MET CE :methyl -160:sc= -0.175 (180deg=-0.682) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 103:sc= 1.42 USER MOD Single : A 54 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4.2!) USER MOD Single : A 56 HIS : no HE2:sc= 0.0448 K(o=0.045,f=-1.5) USER MOD Single : A 58 HIS : no HE2:sc= 0.803 K(o=0.8,f=-3.7!) USER MOD Single : A 66 MET CE :methyl -131:sc= -2.36! (180deg=-3.6!) USER MOD Single : A 67 ASN : amide:sc= 0.891 K(o=0.89,f=-0.072) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00218) USER MOD Single : A 72 MET CE :methyl 169:sc= -2.99! (180deg=-3.62!) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc=-0.00141 (180deg=-0.0968) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc=-0.00411 (180deg=-0.157) USER MOD Single : A 79 ASN : amide:sc= -0.0543 K(o=-0.054,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -6.084 -12.047 -0.606 1.00 0.00 N ATOM 63 CA MET A 5 -5.095 -11.160 -0.010 1.00 0.00 C ATOM 64 C MET A 5 -5.280 -9.749 -0.554 1.00 0.00 C ATOM 65 O MET A 5 -4.477 -9.278 -1.359 1.00 0.00 O ATOM 66 CB MET A 5 -3.665 -11.632 -0.297 1.00 0.00 C ATOM 67 CG MET A 5 -3.312 -12.976 0.315 1.00 0.00 C ATOM 68 SD MET A 5 -1.545 -13.331 0.229 1.00 0.00 S ATOM 69 CE MET A 5 -1.227 -13.114 -1.522 1.00 0.00 C ATOM 0 HA MET A 5 -5.245 -11.170 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.525 -11.690 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.967 -10.883 0.075 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.632 -12.993 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.863 -13.763 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.245 -13.519 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.989 -13.639 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.253 -12.052 -1.768 1.00 0.00 H new ATOM 79 N PRO A 6 -6.353 -9.061 -0.135 1.00 0.00 N ATOM 80 CA PRO A 6 -6.671 -7.713 -0.611 1.00 0.00 C ATOM 81 C PRO A 6 -5.687 -6.662 -0.111 1.00 0.00 C ATOM 82 O PRO A 6 -5.507 -6.488 1.095 1.00 0.00 O ATOM 83 CB PRO A 6 -8.068 -7.436 -0.035 1.00 0.00 C ATOM 84 CG PRO A 6 -8.571 -8.753 0.450 1.00 0.00 C ATOM 85 CD PRO A 6 -7.355 -9.544 0.824 1.00 0.00 C ATOM 0 HA PRO A 6 -6.622 -7.660 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.020 -6.711 0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.730 -7.020 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.234 -8.627 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.145 -9.261 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.052 -9.359 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.524 -10.617 0.729 1.00 0.00 H new ATOM 93 N LYS A 7 -5.034 -5.974 -1.037 1.00 0.00 N ATOM 94 CA LYS A 7 -4.213 -4.825 -0.682 1.00 0.00 C ATOM 95 C LYS A 7 -5.079 -3.575 -0.631 1.00 0.00 C ATOM 96 O LYS A 7 -4.674 -2.540 -0.101 1.00 0.00 O ATOM 97 CB LYS A 7 -3.084 -4.619 -1.688 1.00 0.00 C ATOM 98 CG LYS A 7 -2.048 -5.720 -1.668 1.00 0.00 C ATOM 99 CD LYS A 7 -0.854 -5.375 -2.535 1.00 0.00 C ATOM 100 CE LYS A 7 0.204 -6.455 -2.457 1.00 0.00 C ATOM 101 NZ LYS A 7 -0.276 -7.746 -3.017 1.00 0.00 N ATOM 0 H LYS A 7 -5.056 -6.189 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.771 -5.013 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.509 -4.549 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.595 -3.667 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.718 -5.892 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.497 -6.650 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.175 -5.250 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.431 -4.423 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.092 -6.132 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.500 -6.598 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.526 -8.401 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.984 -8.160 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.707 -7.581 -3.949 1.00 0.00 H new ATOM 115 N THR A 8 -6.269 -3.694 -1.200 1.00 0.00 N ATOM 116 CA THR A 8 -7.214 -2.598 -1.274 1.00 0.00 C ATOM 117 C THR A 8 -8.201 -2.644 -0.109 1.00 0.00 C ATOM 118 O THR A 8 -8.856 -3.663 0.127 1.00 0.00 O ATOM 119 CB THR A 8 -7.998 -2.657 -2.598 1.00 0.00 C ATOM 120 OG1 THR A 8 -7.093 -2.624 -3.710 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.977 -1.501 -2.703 1.00 0.00 C ATOM 0 H THR A 8 -6.605 -4.559 -1.624 1.00 0.00 H new ATOM 0 HA THR A 8 -6.647 -1.669 -1.222 1.00 0.00 H new ATOM 0 HB THR A 8 -8.560 -3.591 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.601 -2.664 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.518 -1.567 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.685 -1.548 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.432 -0.558 -2.662 1.00 0.00 H new ATOM 129 N LEU A 9 -8.294 -1.544 0.620 1.00 0.00 N ATOM 130 CA LEU A 9 -9.269 -1.422 1.690 1.00 0.00 C ATOM 131 C LEU A 9 -10.532 -0.752 1.171 1.00 0.00 C ATOM 132 O LEU A 9 -10.470 0.198 0.390 1.00 0.00 O ATOM 133 CB LEU A 9 -8.704 -0.641 2.882 1.00 0.00 C ATOM 134 CG LEU A 9 -7.746 -1.421 3.791 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.421 -2.673 4.325 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.466 -1.783 3.055 1.00 0.00 C ATOM 0 H LEU A 9 -7.705 -0.722 0.490 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.512 -2.426 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.182 0.238 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.537 -0.281 3.486 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.483 -0.779 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.727 -3.214 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.305 -2.393 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.716 -3.311 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.806 -2.335 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.706 -2.401 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.967 -0.872 2.723 1.00 0.00 H new ATOM 148 N TYR A 10 -11.669 -1.264 1.608 1.00 0.00 N ATOM 149 CA TYR A 10 -12.967 -0.787 1.159 1.00 0.00 C ATOM 150 C TYR A 10 -13.620 0.053 2.247 1.00 0.00 C ATOM 151 O TYR A 10 -14.235 -0.480 3.171 1.00 0.00 O ATOM 152 CB TYR A 10 -13.852 -1.990 0.807 1.00 0.00 C ATOM 153 CG TYR A 10 -15.219 -1.635 0.263 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.336 -1.602 1.092 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.396 -1.352 -1.081 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.586 -1.291 0.592 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.641 -1.039 -1.588 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.732 -1.012 -0.748 1.00 0.00 C ATOM 159 OH TYR A 10 -18.973 -0.705 -1.255 1.00 0.00 O ATOM 0 H TYR A 10 -11.719 -2.024 2.286 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.841 -0.163 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.332 -2.603 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.980 -2.603 1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.224 -1.823 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.544 -1.377 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.443 -1.267 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.759 -0.816 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.900 -0.534 -2.217 1.00 0.00 H new ATOM 169 N VAL A 11 -13.471 1.362 2.152 1.00 0.00 N ATOM 170 CA VAL A 11 -14.065 2.255 3.133 1.00 0.00 C ATOM 171 C VAL A 11 -15.361 2.839 2.596 1.00 0.00 C ATOM 172 O VAL A 11 -15.349 3.626 1.655 1.00 0.00 O ATOM 173 CB VAL A 11 -13.114 3.405 3.523 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.721 4.241 4.644 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.756 2.858 3.930 1.00 0.00 C ATOM 0 H VAL A 11 -12.948 1.829 1.411 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.263 1.662 4.026 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.974 4.049 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.037 5.048 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.669 4.663 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.891 3.611 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.098 3.683 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.873 2.191 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.321 2.307 3.096 1.00 0.00 H new ATOM 185 N GLY A 12 -16.472 2.450 3.195 1.00 0.00 N ATOM 186 CA GLY A 12 -17.757 2.934 2.746 1.00 0.00 C ATOM 187 C GLY A 12 -18.369 3.904 3.727 1.00 0.00 C ATOM 188 O GLY A 12 -17.776 4.184 4.773 1.00 0.00 O ATOM 0 H GLY A 12 -16.507 1.807 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.643 3.421 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.432 2.090 2.601 1.00 0.00 H new ATOM 192 N ASN A 13 -19.550 4.412 3.378 1.00 0.00 N ATOM 193 CA ASN A 13 -20.302 5.335 4.230 1.00 0.00 C ATOM 194 C ASN A 13 -19.617 6.691 4.318 1.00 0.00 C ATOM 195 O ASN A 13 -19.690 7.370 5.344 1.00 0.00 O ATOM 196 CB ASN A 13 -20.511 4.762 5.638 1.00 0.00 C ATOM 197 CG ASN A 13 -21.519 3.628 5.679 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.687 2.879 4.715 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.198 3.494 6.806 1.00 0.00 N ATOM 0 H ASN A 13 -20.014 4.196 2.496 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.279 5.468 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.556 4.405 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.844 5.560 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.890 2.750 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.030 4.135 7.582 1.00 0.00 H new ATOM 206 N LEU A 14 -18.956 7.088 3.239 1.00 0.00 N ATOM 207 CA LEU A 14 -18.319 8.396 3.185 1.00 0.00 C ATOM 208 C LEU A 14 -19.376 9.484 3.063 1.00 0.00 C ATOM 209 O LEU A 14 -20.477 9.242 2.577 1.00 0.00 O ATOM 210 CB LEU A 14 -17.340 8.491 2.011 1.00 0.00 C ATOM 211 CG LEU A 14 -16.081 7.627 2.126 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.165 7.872 0.941 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.350 7.902 3.432 1.00 0.00 C ATOM 0 H LEU A 14 -18.847 6.527 2.394 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.757 8.535 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.867 8.213 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.036 9.532 1.899 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.383 6.580 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.274 7.251 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.688 7.618 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.875 8.922 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.460 7.276 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.059 8.952 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.007 7.676 4.272 1.00 0.00 H new ATOM 225 N SER A 15 -19.047 10.679 3.517 1.00 0.00 N ATOM 226 CA SER A 15 -19.970 11.796 3.446 1.00 0.00 C ATOM 227 C SER A 15 -19.344 12.939 2.664 1.00 0.00 C ATOM 228 O SER A 15 -18.160 12.884 2.328 1.00 0.00 O ATOM 229 CB SER A 15 -20.323 12.265 4.855 1.00 0.00 C ATOM 230 OG SER A 15 -20.559 11.160 5.704 1.00 0.00 O ATOM 0 H SER A 15 -18.146 10.901 3.940 1.00 0.00 H new ATOM 0 HA SER A 15 -20.879 11.474 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.511 12.871 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 15 -21.208 12.900 4.821 1.00 0.00 H new ATOM 0 HG SER A 15 -20.238 11.367 6.607 1.00 0.00 H new ATOM 236 N ARG A 16 -20.122 13.977 2.390 1.00 0.00 N ATOM 237 CA ARG A 16 -19.597 15.156 1.709 1.00 0.00 C ATOM 238 C ARG A 16 -18.651 15.892 2.651 1.00 0.00 C ATOM 239 O ARG A 16 -17.763 16.630 2.228 1.00 0.00 O ATOM 240 CB ARG A 16 -20.734 16.093 1.279 1.00 0.00 C ATOM 241 CG ARG A 16 -21.924 15.383 0.645 1.00 0.00 C ATOM 242 CD ARG A 16 -21.526 14.528 -0.548 1.00 0.00 C ATOM 243 NE ARG A 16 -22.672 13.801 -1.093 1.00 0.00 N ATOM 244 CZ ARG A 16 -22.582 12.706 -1.858 1.00 0.00 C ATOM 245 NH1 ARG A 16 -21.397 12.234 -2.225 1.00 0.00 N ATOM 246 NH2 ARG A 16 -23.679 12.090 -2.269 1.00 0.00 N ATOM 0 H ARG A 16 -21.113 14.029 2.626 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.063 14.838 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.080 16.650 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.341 16.822 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.408 14.755 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -22.658 16.124 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.094 15.161 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -20.754 13.820 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.604 14.153 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.544 12.706 -1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.339 11.399 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.596 12.449 -2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -23.608 11.256 -2.852 1.00 0.00 H new ATOM 260 N ASP A 17 -18.854 15.660 3.941 1.00 0.00 N ATOM 261 CA ASP A 17 -18.052 16.276 4.987 1.00 0.00 C ATOM 262 C ASP A 17 -16.666 15.639 5.062 1.00 0.00 C ATOM 263 O ASP A 17 -15.740 16.210 5.637 1.00 0.00 O ATOM 264 CB ASP A 17 -18.744 16.111 6.341 1.00 0.00 C ATOM 265 CG ASP A 17 -20.182 16.582 6.340 1.00 0.00 C ATOM 266 OD1 ASP A 17 -21.076 15.778 6.001 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.429 17.752 6.692 1.00 0.00 O ATOM 0 H ASP A 17 -19.582 15.037 4.291 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.945 17.334 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.713 15.061 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.188 16.667 7.096 1.00 0.00 H new ATOM 272 N VAL A 18 -16.532 14.452 4.486 1.00 0.00 N ATOM 273 CA VAL A 18 -15.294 13.697 4.577 1.00 0.00 C ATOM 274 C VAL A 18 -14.317 14.120 3.486 1.00 0.00 C ATOM 275 O VAL A 18 -14.677 14.204 2.311 1.00 0.00 O ATOM 276 CB VAL A 18 -15.546 12.175 4.491 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.240 11.405 4.601 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.519 11.731 5.574 1.00 0.00 C ATOM 0 H VAL A 18 -17.268 13.992 3.950 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.857 13.916 5.551 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.989 11.959 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.442 10.336 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.576 11.698 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.765 11.629 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.684 10.656 5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.104 11.965 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.467 12.253 5.447 1.00 0.00 H new ATOM 288 N THR A 19 -13.089 14.400 3.891 1.00 0.00 N ATOM 289 CA THR A 19 -12.044 14.787 2.961 1.00 0.00 C ATOM 290 C THR A 19 -11.037 13.652 2.779 1.00 0.00 C ATOM 291 O THR A 19 -10.746 12.900 3.717 1.00 0.00 O ATOM 292 CB THR A 19 -11.315 16.063 3.441 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.233 16.380 2.560 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.782 15.898 4.857 1.00 0.00 C ATOM 0 H THR A 19 -12.791 14.366 4.866 1.00 0.00 H new ATOM 0 HA THR A 19 -12.517 14.999 2.002 1.00 0.00 H new ATOM 0 HB THR A 19 -12.040 16.877 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.782 17.191 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.275 16.813 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.610 15.697 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.078 15.066 4.886 1.00 0.00 H new ATOM 302 N GLU A 20 -10.525 13.537 1.558 1.00 0.00 N ATOM 303 CA GLU A 20 -9.541 12.517 1.207 1.00 0.00 C ATOM 304 C GLU A 20 -8.288 12.652 2.063 1.00 0.00 C ATOM 305 O GLU A 20 -7.693 11.657 2.476 1.00 0.00 O ATOM 306 CB GLU A 20 -9.164 12.647 -0.269 1.00 0.00 C ATOM 307 CG GLU A 20 -8.103 11.655 -0.720 1.00 0.00 C ATOM 308 CD GLU A 20 -7.526 11.994 -2.078 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.514 12.724 -2.128 1.00 0.00 O ATOM 310 OE2 GLU A 20 -8.077 11.531 -3.097 1.00 0.00 O ATOM 0 H GLU A 20 -10.780 14.149 0.783 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.984 11.538 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.059 12.510 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.805 13.659 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.299 11.629 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.537 10.655 -0.753 1.00 0.00 H new ATOM 317 N ALA A 21 -7.909 13.894 2.335 1.00 0.00 N ATOM 318 CA ALA A 21 -6.690 14.184 3.075 1.00 0.00 C ATOM 319 C ALA A 21 -6.716 13.550 4.459 1.00 0.00 C ATOM 320 O ALA A 21 -5.710 13.017 4.929 1.00 0.00 O ATOM 321 CB ALA A 21 -6.497 15.683 3.191 1.00 0.00 C ATOM 0 H ALA A 21 -8.433 14.722 2.051 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.852 13.754 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.582 15.890 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.423 16.119 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.347 16.120 3.716 1.00 0.00 H new ATOM 327 N LEU A 22 -7.880 13.599 5.097 1.00 0.00 N ATOM 328 CA LEU A 22 -8.040 13.066 6.441 1.00 0.00 C ATOM 329 C LEU A 22 -7.989 11.543 6.422 1.00 0.00 C ATOM 330 O LEU A 22 -7.215 10.932 7.157 1.00 0.00 O ATOM 331 CB LEU A 22 -9.366 13.541 7.041 1.00 0.00 C ATOM 332 CG LEU A 22 -9.610 13.146 8.497 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.566 13.780 9.406 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.012 13.552 8.928 1.00 0.00 C ATOM 0 H LEU A 22 -8.728 14.004 4.702 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.220 13.432 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.410 14.627 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.181 13.146 6.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.523 12.063 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.756 13.487 10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.573 13.442 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.620 14.865 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.171 13.264 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.125 14.632 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.746 13.051 8.297 1.00 0.00 H new ATOM 346 N ILE A 23 -8.807 10.941 5.564 1.00 0.00 N ATOM 347 CA ILE A 23 -8.878 9.484 5.453 1.00 0.00 C ATOM 348 C ILE A 23 -7.501 8.876 5.185 1.00 0.00 C ATOM 349 O ILE A 23 -7.063 7.970 5.897 1.00 0.00 O ATOM 350 CB ILE A 23 -9.852 9.062 4.327 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.276 9.518 4.658 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.810 7.554 4.108 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.829 8.916 5.936 1.00 0.00 C ATOM 0 H ILE A 23 -9.433 11.440 4.932 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.247 9.108 6.407 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.537 9.546 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.289 10.605 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.934 9.256 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.503 7.283 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.800 7.255 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.097 7.045 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.841 9.285 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.849 7.830 5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.195 9.200 6.776 1.00 0.00 H new ATOM 365 N LEU A 24 -6.812 9.390 4.172 1.00 0.00 N ATOM 366 CA LEU A 24 -5.501 8.867 3.807 1.00 0.00 C ATOM 367 C LEU A 24 -4.483 9.094 4.916 1.00 0.00 C ATOM 368 O LEU A 24 -3.564 8.299 5.086 1.00 0.00 O ATOM 369 CB LEU A 24 -5.009 9.483 2.494 1.00 0.00 C ATOM 370 CG LEU A 24 -5.409 8.718 1.229 1.00 0.00 C ATOM 371 CD1 LEU A 24 -6.915 8.752 1.027 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.689 9.288 0.018 1.00 0.00 C ATOM 0 H LEU A 24 -7.137 10.164 3.592 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.608 7.792 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.393 10.501 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.922 9.554 2.529 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.112 7.676 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.173 8.202 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.408 8.293 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.246 9.786 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.983 8.735 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.955 10.338 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.612 9.201 0.161 1.00 0.00 H new ATOM 384 N GLN A 25 -4.661 10.160 5.683 1.00 0.00 N ATOM 385 CA GLN A 25 -3.766 10.457 6.797 1.00 0.00 C ATOM 386 C GLN A 25 -3.886 9.383 7.872 1.00 0.00 C ATOM 387 O GLN A 25 -2.884 8.923 8.426 1.00 0.00 O ATOM 388 CB GLN A 25 -4.097 11.824 7.392 1.00 0.00 C ATOM 389 CG GLN A 25 -3.198 12.217 8.552 1.00 0.00 C ATOM 390 CD GLN A 25 -3.625 13.520 9.200 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.430 13.724 10.398 1.00 0.00 O ATOM 392 NE2 GLN A 25 -4.207 14.411 8.411 1.00 0.00 N ATOM 0 H GLN A 25 -5.416 10.834 5.556 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.742 10.472 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.019 12.580 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.133 11.822 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.206 11.423 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.172 12.310 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.349 14.201 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.513 15.307 8.792 1.00 0.00 H new ATOM 401 N LEU A 26 -5.122 8.992 8.152 1.00 0.00 N ATOM 402 CA LEU A 26 -5.410 7.941 9.123 1.00 0.00 C ATOM 403 C LEU A 26 -4.724 6.637 8.735 1.00 0.00 C ATOM 404 O LEU A 26 -4.081 5.991 9.559 1.00 0.00 O ATOM 405 CB LEU A 26 -6.923 7.721 9.227 1.00 0.00 C ATOM 406 CG LEU A 26 -7.665 8.588 10.256 1.00 0.00 C ATOM 407 CD1 LEU A 26 -7.320 8.154 11.668 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.350 10.064 10.072 1.00 0.00 C ATOM 0 H LEU A 26 -5.952 9.392 7.715 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.024 8.259 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.364 7.901 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.101 6.673 9.470 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.734 8.448 10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.855 8.780 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.610 7.113 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.247 8.257 11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.892 10.647 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.279 10.225 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.653 10.379 9.074 1.00 0.00 H new ATOM 420 N PHE A 27 -4.849 6.268 7.469 1.00 0.00 N ATOM 421 CA PHE A 27 -4.255 5.036 6.973 1.00 0.00 C ATOM 422 C PHE A 27 -2.740 5.164 6.848 1.00 0.00 C ATOM 423 O PHE A 27 -2.007 4.207 7.097 1.00 0.00 O ATOM 424 CB PHE A 27 -4.871 4.656 5.627 1.00 0.00 C ATOM 425 CG PHE A 27 -6.295 4.187 5.732 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.330 4.937 5.205 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.592 2.991 6.361 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.637 4.502 5.304 1.00 0.00 C ATOM 429 CE2 PHE A 27 -7.895 2.549 6.464 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.919 3.306 5.934 1.00 0.00 C ATOM 0 H PHE A 27 -5.357 6.805 6.766 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.466 4.246 7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.828 5.517 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.270 3.870 5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.114 5.873 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.793 2.395 6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.438 5.096 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.112 1.613 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.940 2.964 6.012 1.00 0.00 H new ATOM 440 N SER A 28 -2.277 6.358 6.481 1.00 0.00 N ATOM 441 CA SER A 28 -0.850 6.619 6.310 1.00 0.00 C ATOM 442 C SER A 28 -0.107 6.461 7.635 1.00 0.00 C ATOM 443 O SER A 28 1.098 6.197 7.656 1.00 0.00 O ATOM 444 CB SER A 28 -0.627 8.030 5.745 1.00 0.00 C ATOM 445 OG SER A 28 0.740 8.250 5.426 1.00 0.00 O ATOM 0 H SER A 28 -2.874 7.164 6.296 1.00 0.00 H new ATOM 0 HA SER A 28 -0.454 5.890 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.237 8.167 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.956 8.771 6.473 1.00 0.00 H new ATOM 0 HG SER A 28 0.851 9.155 5.067 1.00 0.00 H new ATOM 451 N GLN A 29 -0.834 6.631 8.737 1.00 0.00 N ATOM 452 CA GLN A 29 -0.275 6.444 10.069 1.00 0.00 C ATOM 453 C GLN A 29 0.025 4.966 10.323 1.00 0.00 C ATOM 454 O GLN A 29 0.877 4.620 11.146 1.00 0.00 O ATOM 455 CB GLN A 29 -1.250 6.983 11.123 1.00 0.00 C ATOM 456 CG GLN A 29 -0.740 6.877 12.552 1.00 0.00 C ATOM 457 CD GLN A 29 0.554 7.638 12.781 1.00 0.00 C ATOM 458 OE1 GLN A 29 1.376 7.244 13.606 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.740 8.738 12.067 1.00 0.00 N ATOM 0 H GLN A 29 -1.818 6.900 8.730 1.00 0.00 H new ATOM 0 HA GLN A 29 0.661 6.997 10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.466 8.028 10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.191 6.440 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.503 7.256 13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.585 5.827 12.799 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.035 9.033 11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.588 9.290 12.192 1.00 0.00 H new ATOM 468 N ILE A 30 -0.671 4.095 9.607 1.00 0.00 N ATOM 469 CA ILE A 30 -0.483 2.662 9.763 1.00 0.00 C ATOM 470 C ILE A 30 0.458 2.134 8.687 1.00 0.00 C ATOM 471 O ILE A 30 1.421 1.425 8.986 1.00 0.00 O ATOM 472 CB ILE A 30 -1.819 1.893 9.685 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.858 2.509 10.628 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.606 0.421 10.020 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.461 2.483 12.088 1.00 0.00 C ATOM 0 H ILE A 30 -1.371 4.357 8.913 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.052 2.501 10.751 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.196 1.968 8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.036 3.542 10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.801 1.976 10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.558 -0.107 9.960 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.904 -0.016 9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.204 0.332 11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.250 2.937 12.688 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.312 1.451 12.406 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.535 3.042 12.223 1.00 0.00 H new ATOM 487 N GLY A 31 0.180 2.490 7.440 1.00 0.00 N ATOM 488 CA GLY A 31 0.996 2.023 6.340 1.00 0.00 C ATOM 489 C GLY A 31 0.931 2.941 5.135 1.00 0.00 C ATOM 490 O GLY A 31 -0.027 3.700 4.982 1.00 0.00 O ATOM 0 H GLY A 31 -0.597 3.094 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.031 1.937 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.670 1.024 6.049 1.00 0.00 H new ATOM 494 N PRO A 32 1.938 2.885 4.254 1.00 0.00 N ATOM 495 CA PRO A 32 2.000 3.729 3.061 1.00 0.00 C ATOM 496 C PRO A 32 1.031 3.277 1.970 1.00 0.00 C ATOM 497 O PRO A 32 1.057 2.122 1.532 1.00 0.00 O ATOM 498 CB PRO A 32 3.451 3.576 2.576 1.00 0.00 C ATOM 499 CG PRO A 32 4.161 2.799 3.637 1.00 0.00 C ATOM 500 CD PRO A 32 3.106 2.007 4.350 1.00 0.00 C ATOM 0 HA PRO A 32 1.718 4.757 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.490 3.055 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.917 4.550 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.913 2.142 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.680 3.465 4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.930 1.043 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.379 1.806 5.386 1.00 0.00 H new ATOM 508 N CYS A 33 0.183 4.198 1.538 1.00 0.00 N ATOM 509 CA CYS A 33 -0.762 3.939 0.459 1.00 0.00 C ATOM 510 C CYS A 33 -0.204 4.475 -0.860 1.00 0.00 C ATOM 511 O CYS A 33 0.501 5.481 -0.877 1.00 0.00 O ATOM 512 CB CYS A 33 -2.106 4.602 0.773 1.00 0.00 C ATOM 513 SG CYS A 33 -2.793 4.140 2.380 1.00 0.00 S ATOM 0 H CYS A 33 0.129 5.141 1.922 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.914 2.864 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.983 5.684 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.821 4.338 -0.006 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.184 2.901 2.345 1.00 0.00 H new ATOM 519 N LYS A 34 -0.501 3.791 -1.962 1.00 0.00 N ATOM 520 CA LYS A 34 0.000 4.219 -3.268 1.00 0.00 C ATOM 521 C LYS A 34 -1.071 4.934 -4.079 1.00 0.00 C ATOM 522 O LYS A 34 -0.766 5.820 -4.876 1.00 0.00 O ATOM 523 CB LYS A 34 0.540 3.036 -4.078 1.00 0.00 C ATOM 524 CG LYS A 34 -0.454 1.905 -4.295 1.00 0.00 C ATOM 525 CD LYS A 34 -0.063 1.045 -5.487 1.00 0.00 C ATOM 526 CE LYS A 34 -1.034 -0.106 -5.691 1.00 0.00 C ATOM 527 NZ LYS A 34 -0.778 -0.832 -6.962 1.00 0.00 N ATOM 0 H LYS A 34 -1.078 2.950 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 34 0.814 4.917 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.872 3.401 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.418 2.637 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.505 1.286 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.450 2.319 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.034 1.661 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.942 0.651 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.954 -0.800 -4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.055 0.277 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.462 -1.609 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.879 -0.176 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.187 -1.220 -6.952 1.00 0.00 H new ATOM 541 N ASN A 35 -2.318 4.551 -3.879 1.00 0.00 N ATOM 542 CA ASN A 35 -3.409 5.071 -4.688 1.00 0.00 C ATOM 543 C ASN A 35 -4.708 5.072 -3.897 1.00 0.00 C ATOM 544 O ASN A 35 -4.912 4.226 -3.025 1.00 0.00 O ATOM 545 CB ASN A 35 -3.547 4.237 -5.970 1.00 0.00 C ATOM 546 CG ASN A 35 -4.789 4.566 -6.772 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.802 5.511 -7.561 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.828 3.767 -6.601 1.00 0.00 N ATOM 0 H ASN A 35 -2.603 3.882 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.187 6.102 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.668 4.396 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.563 3.179 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.684 3.922 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.774 2.995 -5.936 1.00 0.00 H new ATOM 555 N CYS A 36 -5.566 6.034 -4.200 1.00 0.00 N ATOM 556 CA CYS A 36 -6.856 6.156 -3.541 1.00 0.00 C ATOM 557 C CYS A 36 -7.960 6.348 -4.574 1.00 0.00 C ATOM 558 O CYS A 36 -8.009 7.365 -5.268 1.00 0.00 O ATOM 559 CB CYS A 36 -6.840 7.327 -2.553 1.00 0.00 C ATOM 560 SG CYS A 36 -6.260 8.892 -3.261 1.00 0.00 S ATOM 0 H CYS A 36 -5.389 6.748 -4.906 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.053 5.238 -2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.847 7.470 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.203 7.066 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.228 9.759 -3.249 1.00 0.00 H new ATOM 566 N LYS A 37 -8.827 5.358 -4.695 1.00 0.00 N ATOM 567 CA LYS A 37 -9.934 5.425 -5.631 1.00 0.00 C ATOM 568 C LYS A 37 -11.143 6.040 -4.964 1.00 0.00 C ATOM 569 O LYS A 37 -11.800 5.414 -4.133 1.00 0.00 O ATOM 570 CB LYS A 37 -10.279 4.041 -6.161 1.00 0.00 C ATOM 571 CG LYS A 37 -9.128 3.378 -6.892 1.00 0.00 C ATOM 572 CD LYS A 37 -8.805 4.083 -8.201 1.00 0.00 C ATOM 573 CE LYS A 37 -9.858 3.811 -9.263 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.926 2.369 -9.615 1.00 0.00 N ATOM 0 H LYS A 37 -8.785 4.495 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.634 6.050 -6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.587 3.407 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.132 4.119 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.245 3.377 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.378 2.336 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.733 5.157 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.831 3.752 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.832 4.144 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.632 4.393 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.383 2.259 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.964 1.975 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.479 1.862 -8.895 1.00 0.00 H new ATOM 588 N MET A 38 -11.425 7.269 -5.338 1.00 0.00 N ATOM 589 CA MET A 38 -12.544 8.002 -4.775 1.00 0.00 C ATOM 590 C MET A 38 -13.785 7.783 -5.624 1.00 0.00 C ATOM 591 O MET A 38 -13.966 8.422 -6.660 1.00 0.00 O ATOM 592 CB MET A 38 -12.220 9.496 -4.694 1.00 0.00 C ATOM 593 CG MET A 38 -11.077 9.826 -3.748 1.00 0.00 C ATOM 594 SD MET A 38 -11.445 9.397 -2.034 1.00 0.00 S ATOM 595 CE MET A 38 -12.842 10.470 -1.708 1.00 0.00 C ATOM 0 H MET A 38 -10.891 7.788 -6.036 1.00 0.00 H new ATOM 0 HA MET A 38 -12.731 7.633 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.970 9.858 -5.691 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.112 10.035 -4.373 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.181 9.293 -4.067 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.854 10.891 -3.812 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.962 10.594 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.669 11.443 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.746 10.027 -2.125 1.00 0.00 H new ATOM 605 N ILE A 39 -14.635 6.873 -5.185 1.00 0.00 N ATOM 606 CA ILE A 39 -15.840 6.551 -5.926 1.00 0.00 C ATOM 607 C ILE A 39 -16.945 7.543 -5.593 1.00 0.00 C ATOM 608 O ILE A 39 -17.528 7.508 -4.508 1.00 0.00 O ATOM 609 CB ILE A 39 -16.320 5.116 -5.636 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.191 4.110 -5.910 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.550 4.791 -6.471 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.633 4.176 -7.318 1.00 0.00 C ATOM 0 H ILE A 39 -14.514 6.345 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.601 6.618 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.594 5.043 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.382 4.286 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.563 3.102 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.878 3.774 -6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.350 5.490 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.304 4.876 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.841 3.435 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.428 3.969 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.228 5.171 -7.503 1.00 0.00 H new ATOM 710 N PRO A 47 -20.899 7.035 -0.733 1.00 0.00 N ATOM 711 CA PRO A 47 -19.631 6.873 -1.443 1.00 0.00 C ATOM 712 C PRO A 47 -18.671 5.951 -0.707 1.00 0.00 C ATOM 713 O PRO A 47 -18.712 5.835 0.522 1.00 0.00 O ATOM 714 CB PRO A 47 -19.057 8.296 -1.511 1.00 0.00 C ATOM 715 CG PRO A 47 -20.198 9.198 -1.181 1.00 0.00 C ATOM 716 CD PRO A 47 -21.089 8.413 -0.266 1.00 0.00 C ATOM 0 HA PRO A 47 -19.777 6.417 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.238 8.424 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.659 8.512 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.848 10.110 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.732 9.499 -2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.800 8.530 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.130 8.728 -0.346 1.00 0.00 H new ATOM 724 N TYR A 48 -17.806 5.300 -1.464 1.00 0.00 N ATOM 725 CA TYR A 48 -16.829 4.398 -0.896 1.00 0.00 C ATOM 726 C TYR A 48 -15.468 4.635 -1.532 1.00 0.00 C ATOM 727 O TYR A 48 -15.378 5.010 -2.700 1.00 0.00 O ATOM 728 CB TYR A 48 -17.274 2.937 -1.055 1.00 0.00 C ATOM 729 CG TYR A 48 -17.701 2.548 -2.456 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.981 2.831 -2.920 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.832 1.880 -3.305 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.380 2.461 -4.190 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.221 1.508 -4.577 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.494 1.800 -5.017 1.00 0.00 C ATOM 735 OH TYR A 48 -18.878 1.425 -6.287 1.00 0.00 O ATOM 0 H TYR A 48 -17.763 5.382 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.747 4.599 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.454 2.287 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.103 2.749 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.676 3.349 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.834 1.646 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.379 2.687 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.530 0.990 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.133 0.971 -6.734 1.00 0.00 H new ATOM 745 N CYS A 49 -14.419 4.443 -0.757 1.00 0.00 N ATOM 746 CA CYS A 49 -13.074 4.732 -1.213 1.00 0.00 C ATOM 747 C CYS A 49 -12.208 3.480 -1.175 1.00 0.00 C ATOM 748 O CYS A 49 -12.260 2.702 -0.217 1.00 0.00 O ATOM 749 CB CYS A 49 -12.460 5.832 -0.343 1.00 0.00 C ATOM 750 SG CYS A 49 -10.783 6.320 -0.817 1.00 0.00 S ATOM 0 H CYS A 49 -14.473 4.086 0.197 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.121 5.077 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.105 6.710 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.446 5.493 0.693 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.825 7.448 -1.462 1.00 0.00 H new ATOM 756 N PHE A 50 -11.434 3.286 -2.234 1.00 0.00 N ATOM 757 CA PHE A 50 -10.494 2.178 -2.318 1.00 0.00 C ATOM 758 C PHE A 50 -9.075 2.675 -2.080 1.00 0.00 C ATOM 759 O PHE A 50 -8.557 3.472 -2.860 1.00 0.00 O ATOM 760 CB PHE A 50 -10.564 1.507 -3.692 1.00 0.00 C ATOM 761 CG PHE A 50 -11.861 0.815 -3.980 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.766 1.355 -4.878 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.170 -0.384 -3.363 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.953 0.707 -5.158 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.354 -1.034 -3.635 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.249 -0.488 -4.534 1.00 0.00 C ATOM 0 H PHE A 50 -11.440 3.890 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.764 1.451 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.391 2.261 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.754 0.781 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.541 2.293 -5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.474 -0.816 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.649 1.135 -5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.582 -1.969 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.178 -0.995 -4.748 1.00 0.00 H new ATOM 776 N VAL A 51 -8.451 2.226 -1.007 1.00 0.00 N ATOM 777 CA VAL A 51 -7.075 2.605 -0.727 1.00 0.00 C ATOM 778 C VAL A 51 -6.151 1.394 -0.790 1.00 0.00 C ATOM 779 O VAL A 51 -6.370 0.394 -0.102 1.00 0.00 O ATOM 780 CB VAL A 51 -6.933 3.311 0.643 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.557 4.698 0.596 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.569 2.489 1.755 1.00 0.00 C ATOM 0 H VAL A 51 -8.870 1.602 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.781 3.315 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.869 3.409 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.448 5.179 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.055 5.297 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.616 4.613 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.453 3.011 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.629 2.350 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.081 1.516 1.813 1.00 0.00 H new ATOM 792 N GLU A 52 -5.136 1.477 -1.641 1.00 0.00 N ATOM 793 CA GLU A 52 -4.170 0.396 -1.783 1.00 0.00 C ATOM 794 C GLU A 52 -2.909 0.672 -0.972 1.00 0.00 C ATOM 795 O GLU A 52 -2.222 1.671 -1.194 1.00 0.00 O ATOM 796 CB GLU A 52 -3.781 0.173 -3.248 1.00 0.00 C ATOM 797 CG GLU A 52 -4.854 -0.497 -4.090 1.00 0.00 C ATOM 798 CD GLU A 52 -5.854 0.471 -4.679 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.460 1.273 -5.553 1.00 0.00 O ATOM 800 OE2 GLU A 52 -7.039 0.400 -4.312 1.00 0.00 O ATOM 0 H GLU A 52 -4.961 2.282 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.654 -0.504 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.534 1.136 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.877 -0.436 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.377 -1.050 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.384 -1.225 -3.476 1.00 0.00 H new ATOM 807 N PHE A 53 -2.613 -0.225 -0.044 1.00 0.00 N ATOM 808 CA PHE A 53 -1.401 -0.136 0.764 1.00 0.00 C ATOM 809 C PHE A 53 -0.237 -0.827 0.068 1.00 0.00 C ATOM 810 O PHE A 53 -0.429 -1.680 -0.798 1.00 0.00 O ATOM 811 CB PHE A 53 -1.620 -0.798 2.127 1.00 0.00 C ATOM 812 CG PHE A 53 -2.381 0.040 3.109 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.725 0.312 2.920 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.751 0.543 4.235 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.425 1.070 3.836 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.445 1.303 5.152 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.783 1.565 4.953 1.00 0.00 C ATOM 0 H PHE A 53 -3.200 -1.031 0.171 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.168 0.920 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.154 -1.737 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.649 -1.047 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.231 -0.073 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.703 0.337 4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.474 1.276 3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.941 1.692 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.330 2.158 5.671 1.00 0.00 H new ATOM 827 N HIS A 54 0.974 -0.443 0.452 1.00 0.00 N ATOM 828 CA HIS A 54 2.179 -1.116 -0.024 1.00 0.00 C ATOM 829 C HIS A 54 2.496 -2.314 0.856 1.00 0.00 C ATOM 830 O HIS A 54 3.384 -3.109 0.550 1.00 0.00 O ATOM 831 CB HIS A 54 3.381 -0.171 -0.039 1.00 0.00 C ATOM 832 CG HIS A 54 3.351 0.842 -1.139 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.369 0.502 -2.472 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.314 2.193 -1.097 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.345 1.597 -3.204 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.314 2.638 -2.395 1.00 0.00 N ATOM 0 H HIS A 54 1.149 0.331 1.092 1.00 0.00 H new ATOM 0 HA HIS A 54 1.986 -1.447 -1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.432 0.349 0.917 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.292 -0.762 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.289 2.807 -0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.350 1.636 -4.283 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.293 3.615 -2.687 1.00 0.00 H new ATOM 845 N GLU A 55 1.770 -2.431 1.959 1.00 0.00 N ATOM 846 CA GLU A 55 1.985 -3.511 2.907 1.00 0.00 C ATOM 847 C GLU A 55 0.656 -4.049 3.409 1.00 0.00 C ATOM 848 O GLU A 55 -0.092 -3.348 4.097 1.00 0.00 O ATOM 849 CB GLU A 55 2.825 -3.035 4.089 1.00 0.00 C ATOM 850 CG GLU A 55 4.191 -2.510 3.693 1.00 0.00 C ATOM 851 CD GLU A 55 5.040 -2.169 4.884 1.00 0.00 C ATOM 852 OE1 GLU A 55 5.947 -2.958 5.215 1.00 0.00 O ATOM 853 OE2 GLU A 55 4.792 -1.119 5.498 1.00 0.00 O ATOM 0 H GLU A 55 1.023 -1.786 2.219 1.00 0.00 H new ATOM 0 HA GLU A 55 2.522 -4.308 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.283 -2.250 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.952 -3.861 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.703 -3.258 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.070 -1.623 3.070 1.00 0.00 H new ATOM 860 N HIS A 56 0.382 -5.297 3.073 1.00 0.00 N ATOM 861 CA HIS A 56 -0.858 -5.950 3.461 1.00 0.00 C ATOM 862 C HIS A 56 -0.920 -6.135 4.976 1.00 0.00 C ATOM 863 O HIS A 56 -1.999 -6.110 5.566 1.00 0.00 O ATOM 864 CB HIS A 56 -0.981 -7.295 2.731 1.00 0.00 C ATOM 865 CG HIS A 56 -2.221 -8.072 3.055 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.459 -7.767 2.534 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.406 -9.158 3.842 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.348 -8.626 2.988 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.738 -9.482 3.783 1.00 0.00 N ATOM 0 H HIS A 56 1.010 -5.886 2.525 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.700 -5.320 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.952 -7.114 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.112 -7.906 2.974 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.656 -6.996 1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.646 -9.674 4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.401 -8.629 2.749 1.00 0.00 H new ATOM 878 N ARG A 57 0.244 -6.293 5.601 1.00 0.00 N ATOM 879 CA ARG A 57 0.319 -6.435 7.053 1.00 0.00 C ATOM 880 C ARG A 57 -0.168 -5.165 7.749 1.00 0.00 C ATOM 881 O ARG A 57 -0.790 -5.225 8.806 1.00 0.00 O ATOM 882 CB ARG A 57 1.747 -6.769 7.503 1.00 0.00 C ATOM 883 CG ARG A 57 2.778 -5.716 7.132 1.00 0.00 C ATOM 884 CD ARG A 57 4.152 -6.052 7.691 1.00 0.00 C ATOM 885 NE ARG A 57 5.152 -5.077 7.266 1.00 0.00 N ATOM 886 CZ ARG A 57 6.212 -4.713 7.986 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.445 -5.258 9.174 1.00 0.00 N ATOM 888 NH2 ARG A 57 7.043 -3.799 7.505 1.00 0.00 N ATOM 0 H ARG A 57 1.146 -6.326 5.126 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.333 -7.261 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.753 -6.903 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.042 -7.721 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.837 -5.631 6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.459 -4.745 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.107 -6.079 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.448 -7.047 7.360 1.00 0.00 H new ATOM 0 HE ARG A 57 5.030 -4.643 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.809 -5.964 9.545 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.260 -4.971 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.868 -3.381 6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.857 -3.514 8.049 1.00 0.00 H new ATOM 902 N HIS A 58 0.102 -4.012 7.141 1.00 0.00 N ATOM 903 CA HIS A 58 -0.323 -2.742 7.714 1.00 0.00 C ATOM 904 C HIS A 58 -1.752 -2.428 7.299 1.00 0.00 C ATOM 905 O HIS A 58 -2.486 -1.766 8.026 1.00 0.00 O ATOM 906 CB HIS A 58 0.622 -1.605 7.310 1.00 0.00 C ATOM 907 CG HIS A 58 1.901 -1.583 8.099 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.145 -1.446 7.523 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.121 -1.672 9.434 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.069 -1.455 8.462 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.476 -1.591 9.633 1.00 0.00 N ATOM 0 H HIS A 58 0.609 -3.933 6.259 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.286 -2.831 8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.859 -1.699 6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.108 -0.652 7.439 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.323 -1.352 6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.368 -1.786 10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.133 -1.366 8.301 1.00 0.00 H new ATOM 920 N ALA A 59 -2.142 -2.928 6.133 1.00 0.00 N ATOM 921 CA ALA A 59 -3.515 -2.803 5.663 1.00 0.00 C ATOM 922 C ALA A 59 -4.471 -3.477 6.640 1.00 0.00 C ATOM 923 O ALA A 59 -5.546 -2.961 6.935 1.00 0.00 O ATOM 924 CB ALA A 59 -3.647 -3.420 4.279 1.00 0.00 C ATOM 0 H ALA A 59 -1.523 -3.426 5.493 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.774 -1.746 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.676 -3.323 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.982 -2.905 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.377 -4.475 4.324 1.00 0.00 H new ATOM 930 N ALA A 60 -4.048 -4.627 7.151 1.00 0.00 N ATOM 931 CA ALA A 60 -4.837 -5.383 8.114 1.00 0.00 C ATOM 932 C ALA A 60 -5.042 -4.602 9.408 1.00 0.00 C ATOM 933 O ALA A 60 -6.149 -4.557 9.951 1.00 0.00 O ATOM 934 CB ALA A 60 -4.152 -6.704 8.407 1.00 0.00 C ATOM 0 H ALA A 60 -3.155 -5.059 6.911 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.819 -5.566 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.744 -7.269 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.059 -7.278 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.161 -6.516 8.819 1.00 0.00 H new ATOM 940 N ALA A 61 -3.967 -3.995 9.899 1.00 0.00 N ATOM 941 CA ALA A 61 -4.021 -3.219 11.131 1.00 0.00 C ATOM 942 C ALA A 61 -4.884 -1.979 10.949 1.00 0.00 C ATOM 943 O ALA A 61 -5.663 -1.610 11.832 1.00 0.00 O ATOM 944 CB ALA A 61 -2.616 -2.839 11.571 1.00 0.00 C ATOM 0 H ALA A 61 -3.046 -4.026 9.461 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.475 -3.832 11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.668 -2.259 12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.032 -3.743 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.140 -2.242 10.793 1.00 0.00 H new ATOM 950 N ALA A 62 -4.753 -1.350 9.789 1.00 0.00 N ATOM 951 CA ALA A 62 -5.530 -0.164 9.472 1.00 0.00 C ATOM 952 C ALA A 62 -7.012 -0.496 9.412 1.00 0.00 C ATOM 953 O ALA A 62 -7.850 0.288 9.850 1.00 0.00 O ATOM 954 CB ALA A 62 -5.066 0.430 8.156 1.00 0.00 C ATOM 0 H ALA A 62 -4.113 -1.644 9.051 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.376 0.572 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.656 1.318 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.013 0.703 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.195 -0.304 7.360 1.00 0.00 H new ATOM 960 N LEU A 63 -7.322 -1.675 8.885 1.00 0.00 N ATOM 961 CA LEU A 63 -8.700 -2.133 8.779 1.00 0.00 C ATOM 962 C LEU A 63 -9.341 -2.203 10.162 1.00 0.00 C ATOM 963 O LEU A 63 -10.405 -1.637 10.385 1.00 0.00 O ATOM 964 CB LEU A 63 -8.740 -3.506 8.082 1.00 0.00 C ATOM 965 CG LEU A 63 -10.131 -4.055 7.730 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.026 -5.022 6.563 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.763 -4.766 8.922 1.00 0.00 C ATOM 0 H LEU A 63 -6.632 -2.334 8.523 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.270 -1.424 8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.157 -3.440 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.240 -4.230 8.725 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.765 -3.212 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.016 -5.407 6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.615 -4.504 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.371 -5.850 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.746 -5.143 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.129 -5.598 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.866 -4.065 9.751 1.00 0.00 H new ATOM 979 N ALA A 64 -8.667 -2.870 11.090 1.00 0.00 N ATOM 980 CA ALA A 64 -9.212 -3.091 12.426 1.00 0.00 C ATOM 981 C ALA A 64 -9.340 -1.789 13.215 1.00 0.00 C ATOM 982 O ALA A 64 -10.321 -1.581 13.932 1.00 0.00 O ATOM 983 CB ALA A 64 -8.345 -4.083 13.187 1.00 0.00 C ATOM 0 H ALA A 64 -7.740 -3.269 10.943 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.215 -3.501 12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.760 -4.241 14.182 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.320 -5.031 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.333 -3.689 13.275 1.00 0.00 H new ATOM 989 N ALA A 65 -8.355 -0.913 13.069 1.00 0.00 N ATOM 990 CA ALA A 65 -8.317 0.325 13.839 1.00 0.00 C ATOM 991 C ALA A 65 -9.264 1.381 13.277 1.00 0.00 C ATOM 992 O ALA A 65 -9.832 2.179 14.027 1.00 0.00 O ATOM 993 CB ALA A 65 -6.898 0.868 13.890 1.00 0.00 C ATOM 0 H ALA A 65 -7.573 -1.035 12.426 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.653 0.090 14.849 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.883 1.792 14.468 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.244 0.134 14.362 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.548 1.067 12.877 1.00 0.00 H new ATOM 999 N MET A 66 -9.435 1.389 11.963 1.00 0.00 N ATOM 1000 CA MET A 66 -10.226 2.425 11.307 1.00 0.00 C ATOM 1001 C MET A 66 -11.689 2.005 11.170 1.00 0.00 C ATOM 1002 O MET A 66 -12.579 2.850 11.087 1.00 0.00 O ATOM 1003 CB MET A 66 -9.634 2.742 9.934 1.00 0.00 C ATOM 1004 CG MET A 66 -10.230 3.975 9.274 1.00 0.00 C ATOM 1005 SD MET A 66 -9.930 5.479 10.216 1.00 0.00 S ATOM 1006 CE MET A 66 -10.664 6.696 9.130 1.00 0.00 C ATOM 0 H MET A 66 -9.039 0.694 11.330 1.00 0.00 H new ATOM 0 HA MET A 66 -10.194 3.321 11.927 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.558 2.882 10.037 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.783 1.884 9.279 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.809 4.087 8.275 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.304 3.835 9.154 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.967 7.521 8.984 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.889 6.236 8.168 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.584 7.074 9.576 1.00 0.00 H new ATOM 1016 N ASN A 67 -11.936 0.699 11.140 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.299 0.180 11.031 1.00 0.00 C ATOM 1018 C ASN A 67 -14.126 0.619 12.236 1.00 0.00 C ATOM 1019 O ASN A 67 -13.881 0.177 13.357 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.287 -1.353 10.944 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.657 -1.947 10.672 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.455 -2.148 11.588 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -14.924 -2.282 9.416 1.00 0.00 N ATOM 0 H ASN A 67 -11.213 -0.019 11.189 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.747 0.581 10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.602 -1.660 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.900 -1.761 11.878 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.815 -2.721 9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.239 -2.100 8.683 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.088 1.502 12.006 1.00 0.00 N ATOM 1031 CA GLY A 68 -15.959 1.937 13.078 1.00 0.00 C ATOM 1032 C GLY A 68 -15.546 3.264 13.678 1.00 0.00 C ATOM 1033 O GLY A 68 -16.068 3.668 14.720 1.00 0.00 O ATOM 0 H GLY A 68 -15.280 1.924 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.978 2.018 12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.968 1.178 13.861 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.605 3.942 13.035 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.180 5.260 13.489 1.00 0.00 C ATOM 1039 C ARG A 69 -15.280 6.280 13.205 1.00 0.00 C ATOM 1040 O ARG A 69 -16.065 6.111 12.270 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.890 5.684 12.778 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.397 7.067 13.181 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.436 7.009 14.353 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.993 8.341 14.757 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.976 8.574 15.588 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -9.241 7.566 16.044 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -9.686 9.819 15.943 1.00 0.00 N ATOM 0 H ARG A 69 -14.123 3.604 12.202 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.990 5.215 14.561 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.110 4.953 12.992 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.056 5.667 11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.904 7.538 12.331 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.250 7.694 13.442 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.920 6.516 15.196 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.570 6.404 14.084 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.494 9.145 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.454 6.610 15.759 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.464 7.748 16.679 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.240 10.595 15.581 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.909 10.000 16.578 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.331 7.338 14.000 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.328 8.380 13.791 1.00 0.00 C ATOM 1063 C LYS A 70 -15.673 9.581 13.116 1.00 0.00 C ATOM 1064 O LYS A 70 -14.637 10.077 13.563 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.020 8.794 15.111 1.00 0.00 C ATOM 1066 CG LYS A 70 -16.226 9.760 15.992 1.00 0.00 C ATOM 1067 CD LYS A 70 -15.003 9.102 16.607 1.00 0.00 C ATOM 1068 CE LYS A 70 -13.788 10.011 16.535 1.00 0.00 C ATOM 1069 NZ LYS A 70 -13.967 11.269 17.309 1.00 0.00 N ATOM 0 H LYS A 70 -14.702 7.498 14.787 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.108 7.982 13.142 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.979 9.253 14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.233 7.894 15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.914 10.619 15.397 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.870 10.139 16.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.209 8.849 17.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.791 8.167 16.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.917 9.477 16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.584 10.256 15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.104 11.845 17.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.771 11.803 16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.152 11.040 18.306 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.252 10.017 12.019 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.732 11.157 11.282 1.00 0.00 C ATOM 1085 C ILE A 71 -16.871 12.050 10.819 1.00 0.00 C ATOM 1086 O ILE A 71 -17.752 11.612 10.081 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.883 10.722 10.061 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.628 9.979 10.528 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.504 11.930 9.211 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.690 9.596 9.406 1.00 0.00 C ATOM 0 H ILE A 71 -17.089 9.599 11.612 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.083 11.710 11.961 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.480 10.048 9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.091 10.605 11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.929 9.077 11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.908 11.603 8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.409 12.422 8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.924 12.630 9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.826 9.074 9.817 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.209 8.943 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.358 10.495 8.887 1.00 0.00 H new ATOM 1102 N MET A 72 -16.863 13.290 11.312 1.00 0.00 N ATOM 1103 CA MET A 72 -17.817 14.329 10.901 1.00 0.00 C ATOM 1104 C MET A 72 -19.243 14.045 11.378 1.00 0.00 C ATOM 1105 O MET A 72 -20.133 14.875 11.196 1.00 0.00 O ATOM 1106 CB MET A 72 -17.807 14.523 9.382 1.00 0.00 C ATOM 1107 CG MET A 72 -16.459 14.963 8.827 1.00 0.00 C ATOM 1108 SD MET A 72 -15.850 16.487 9.580 1.00 0.00 S ATOM 1109 CE MET A 72 -17.165 17.627 9.152 1.00 0.00 C ATOM 0 H MET A 72 -16.192 13.606 12.012 1.00 0.00 H new ATOM 0 HA MET A 72 -17.485 15.249 11.382 1.00 0.00 H new ATOM 0 HB2 MET A 72 -18.098 13.588 8.904 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.559 15.265 9.115 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.730 14.169 8.987 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.545 15.105 7.750 1.00 0.00 H new ATOM 0 HE1 MET A 72 -17.036 18.556 9.707 1.00 0.00 H new ATOM 0 HE2 MET A 72 -17.132 17.835 8.083 1.00 0.00 H new ATOM 0 HE3 MET A 72 -18.128 17.184 9.406 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.462 12.889 11.990 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.773 12.564 12.516 1.00 0.00 C ATOM 1121 C GLY A 73 -21.275 11.210 12.054 1.00 0.00 C ATOM 1122 O GLY A 73 -22.297 10.727 12.538 1.00 0.00 O ATOM 0 H GLY A 73 -18.753 12.169 12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.736 12.580 13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.483 13.333 12.210 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.572 10.603 11.108 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.954 9.288 10.616 1.00 0.00 C ATOM 1128 C LYS A 74 -19.872 8.258 10.903 1.00 0.00 C ATOM 1129 O LYS A 74 -18.742 8.603 11.263 1.00 0.00 O ATOM 1130 CB LYS A 74 -21.254 9.340 9.118 1.00 0.00 C ATOM 1131 CG LYS A 74 -22.560 10.047 8.794 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.862 10.032 7.304 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.008 8.616 6.762 1.00 0.00 C ATOM 1134 NZ LYS A 74 -24.140 7.885 7.396 1.00 0.00 N ATOM 0 H LYS A 74 -19.740 10.997 10.669 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.859 8.985 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.436 9.849 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.291 8.324 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -23.376 9.567 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.510 11.078 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.780 10.588 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.063 10.544 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.162 8.656 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.082 8.066 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.287 6.980 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.920 7.704 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -25.004 8.459 7.330 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.238 6.995 10.745 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.347 5.882 11.025 1.00 0.00 C ATOM 1150 C GLU A 75 -18.668 5.414 9.750 1.00 0.00 C ATOM 1151 O GLU A 75 -19.339 5.009 8.798 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.141 4.717 11.612 1.00 0.00 C ATOM 1153 CG GLU A 75 -20.957 5.081 12.835 1.00 0.00 C ATOM 1154 CD GLU A 75 -21.944 3.997 13.202 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.012 3.919 12.554 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -21.669 3.225 14.141 1.00 0.00 O ATOM 0 H GLU A 75 -21.163 6.714 10.419 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.593 6.217 11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -20.809 4.324 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.450 3.916 11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.288 5.262 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.493 6.011 12.649 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.349 5.464 9.729 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.598 4.954 8.598 1.00 0.00 C ATOM 1165 C VAL A 76 -16.468 3.441 8.717 1.00 0.00 C ATOM 1166 O VAL A 76 -16.265 2.904 9.812 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.192 5.586 8.504 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.293 7.103 8.466 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.324 5.129 9.663 1.00 0.00 C ATOM 0 H VAL A 76 -16.777 5.851 10.480 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.142 5.218 7.691 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.723 5.253 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.293 7.533 8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.877 7.407 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.781 7.458 9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.337 5.584 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.785 5.430 10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.226 4.044 9.638 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.604 2.747 7.607 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.513 1.302 7.628 1.00 0.00 C ATOM 1181 C LYS A 77 -15.447 0.818 6.673 1.00 0.00 C ATOM 1182 O LYS A 77 -15.519 1.047 5.468 1.00 0.00 O ATOM 1183 CB LYS A 77 -17.867 0.681 7.305 1.00 0.00 C ATOM 1184 CG LYS A 77 -18.925 1.029 8.334 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.264 0.408 7.986 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.291 0.623 9.086 1.00 0.00 C ATOM 1187 NZ LYS A 77 -20.953 -0.136 10.324 1.00 0.00 N ATOM 0 H LYS A 77 -16.776 3.154 6.688 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.226 0.986 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.194 1.021 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.762 -0.402 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.606 0.682 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.030 2.112 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.633 0.839 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.135 -0.660 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.355 1.686 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.274 0.315 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.768 -0.128 10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.718 -1.118 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.137 0.308 10.792 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.449 0.157 7.229 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.314 -0.305 6.452 1.00 0.00 C ATOM 1203 C VAL A 78 -13.341 -1.817 6.317 1.00 0.00 C ATOM 1204 O VAL A 78 -13.098 -2.540 7.282 1.00 0.00 O ATOM 1205 CB VAL A 78 -11.982 0.125 7.095 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -10.806 -0.280 6.221 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -11.971 1.625 7.346 1.00 0.00 C ATOM 0 H VAL A 78 -14.402 -0.073 8.222 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.388 0.150 5.464 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.885 -0.385 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.876 0.034 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.802 -1.363 6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.896 0.198 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.022 1.911 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.094 2.153 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.789 1.888 8.017 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.667 -2.278 5.126 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.660 -3.696 4.815 1.00 0.00 C ATOM 1219 C ASN A 79 -12.519 -3.982 3.855 1.00 0.00 C ATOM 1220 O ASN A 79 -11.745 -3.086 3.523 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.994 -4.131 4.189 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.167 -4.063 5.155 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.239 -3.189 6.020 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -17.100 -4.987 5.005 1.00 0.00 N ATOM 0 H ASN A 79 -13.944 -1.682 4.346 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.524 -4.261 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.206 -3.498 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -14.897 -5.152 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.915 -4.992 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.005 -5.695 4.277 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.402 -5.218 3.417 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.373 -5.581 2.459 1.00 0.00 C ATOM 1233 C TRP A 80 -12.001 -5.924 1.118 1.00 0.00 C ATOM 1234 O TRP A 80 -12.999 -6.640 1.054 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.515 -6.741 2.981 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.284 -7.790 3.726 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.583 -7.783 5.057 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.840 -9.001 3.197 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -12.296 -8.905 5.389 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -12.466 -9.670 4.265 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -11.873 -9.581 1.925 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -13.117 -10.891 4.099 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -12.518 -10.793 1.763 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -13.132 -11.435 2.845 1.00 0.00 C ATOM 0 H TRP A 80 -13.004 -5.989 3.707 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.714 -4.724 2.321 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -10.007 -7.210 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.742 -6.340 3.636 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.299 -7.005 5.750 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -12.643 -9.133 6.320 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.403 -9.091 1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -13.592 -11.389 4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.549 -11.252 0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -13.628 -12.381 2.685 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.427 -5.384 0.053 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.926 -5.631 -1.289 1.00 0.00 C ATOM 1257 C ALA A 81 -11.117 -6.736 -1.949 1.00 0.00 C ATOM 1258 O ALA A 81 -9.988 -6.512 -2.388 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.877 -4.355 -2.120 1.00 0.00 C ATOM 0 H ALA A 81 -10.613 -4.770 0.094 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.966 -5.952 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.254 -4.559 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.494 -3.590 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.848 -4.002 -2.185 1.00 0.00 H new