USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 479 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 1 LEU N :NH3+ 158:sc= 0.0131 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -97:sc= -0.189 (180deg=-1.2!) USER MOD Single : A 12 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.58) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00942 X(o=-0.0094,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -126:sc= -0.208 (180deg=-1.66!) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -1.24 (180deg=-1.8) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.911 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0165 (180deg=-0.165) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.261 F(o=-2.4!,f=-0.26) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00859 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.0822 (180deg=-0.407) USER MOD Single : A 64 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0213 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.022 -0.221 0.419 1.00 0.00 N ATOM 2 CA LEU A 1 2.820 -0.235 -0.802 1.00 0.00 C ATOM 3 C LEU A 1 2.126 -1.040 -1.897 1.00 0.00 C ATOM 4 O LEU A 1 1.363 -1.964 -1.615 1.00 0.00 O ATOM 5 CB LEU A 1 4.205 -0.822 -0.522 1.00 0.00 C ATOM 6 CG LEU A 1 5.394 0.088 -0.831 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.491 0.352 -2.325 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.277 1.397 -0.063 1.00 0.00 C ATOM 0 H1 LEU A 1 2.635 -0.012 1.232 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.285 0.509 0.344 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.575 -1.151 0.553 1.00 0.00 H new ATOM 0 HA LEU A 1 2.930 0.793 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.252 -1.104 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.314 -1.738 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 1 6.306 -0.417 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.343 1.001 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.622 -0.592 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.577 0.836 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.132 2.033 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.357 1.907 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.258 1.191 1.007 1.00 0.00 H new ATOM 20 N THR A 2 2.398 -0.683 -3.148 1.00 0.00 N ATOM 21 CA THR A 2 1.801 -1.371 -4.286 1.00 0.00 C ATOM 22 C THR A 2 2.839 -2.201 -5.033 1.00 0.00 C ATOM 23 O THR A 2 3.977 -1.769 -5.219 1.00 0.00 O ATOM 24 CB THR A 2 1.153 -0.377 -5.267 1.00 0.00 C ATOM 25 OG1 THR A 2 0.228 0.466 -4.571 1.00 0.00 O ATOM 26 CG2 THR A 2 0.432 -1.113 -6.387 1.00 0.00 C ATOM 0 H THR A 2 3.028 0.079 -3.399 1.00 0.00 H new ATOM 0 HA THR A 2 1.030 -2.031 -3.887 1.00 0.00 H new ATOM 0 HB THR A 2 1.943 0.234 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.178 1.096 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.018 -0.390 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.144 -1.731 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.348 -1.746 -5.963 1.00 0.00 H new ATOM 34 N CYS A 3 2.440 -3.395 -5.459 1.00 0.00 N ATOM 35 CA CYS A 3 3.336 -4.286 -6.186 1.00 0.00 C ATOM 36 C CYS A 3 2.564 -5.449 -6.803 1.00 0.00 C ATOM 37 O CYS A 3 1.574 -5.920 -6.239 1.00 0.00 O ATOM 38 CB CYS A 3 4.425 -4.820 -5.254 1.00 0.00 C ATOM 39 SG CYS A 3 3.926 -4.915 -3.505 1.00 0.00 S ATOM 0 H CYS A 3 1.502 -3.768 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 3 3.802 -3.715 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.721 -5.813 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.304 -4.180 -5.336 1.00 0.00 H new ATOM 44 N LEU A 4 3.022 -5.907 -7.962 1.00 0.00 N ATOM 45 CA LEU A 4 2.375 -7.016 -8.656 1.00 0.00 C ATOM 46 C LEU A 4 2.792 -8.353 -8.053 1.00 0.00 C ATOM 47 O LEU A 4 3.907 -8.498 -7.550 1.00 0.00 O ATOM 48 CB LEU A 4 2.723 -6.984 -10.145 1.00 0.00 C ATOM 49 CG LEU A 4 2.693 -5.608 -10.812 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.085 -4.996 -10.836 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.129 -5.711 -12.222 1.00 0.00 C ATOM 0 H LEU A 4 3.839 -5.528 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 4 1.297 -6.906 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.720 -7.406 -10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.029 -7.637 -10.674 1.00 0.00 H new ATOM 0 HG LEU A 4 2.042 -4.957 -10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.044 -4.017 -11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.452 -4.886 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.758 -5.645 -11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.115 -4.723 -12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.754 -6.378 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.114 -6.106 -12.180 1.00 0.00 H new ATOM 63 N ILE A 5 1.891 -9.328 -8.109 1.00 0.00 N ATOM 64 CA ILE A 5 2.167 -10.655 -7.572 1.00 0.00 C ATOM 65 C ILE A 5 1.580 -11.743 -8.465 1.00 0.00 C ATOM 66 O ILE A 5 0.542 -11.548 -9.099 1.00 0.00 O ATOM 67 CB ILE A 5 1.601 -10.814 -6.148 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.170 -11.353 -6.202 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.645 -9.485 -5.409 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.802 -10.418 -6.887 1.00 0.00 C ATOM 0 H ILE A 5 0.964 -9.224 -8.521 1.00 0.00 H new ATOM 0 HA ILE A 5 3.251 -10.763 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 5 2.218 -11.530 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.170 -12.310 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.176 -11.544 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.242 -9.614 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.676 -9.139 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.048 -8.749 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.796 -10.864 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.831 -9.468 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.480 -10.246 -7.914 1.00 0.00 H new ATOM 82 N CYS A 6 2.249 -12.890 -8.508 1.00 0.00 N ATOM 83 CA CYS A 6 1.795 -14.010 -9.322 1.00 0.00 C ATOM 84 C CYS A 6 2.835 -15.126 -9.341 1.00 0.00 C ATOM 85 O CYS A 6 4.006 -14.913 -9.657 1.00 0.00 O ATOM 86 CB CYS A 6 1.503 -13.546 -10.750 1.00 0.00 C ATOM 87 SG CYS A 6 1.294 -14.904 -11.946 1.00 0.00 S ATOM 0 H CYS A 6 3.108 -13.068 -7.988 1.00 0.00 H new ATOM 0 HA CYS A 6 0.878 -14.399 -8.879 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.598 -12.938 -10.745 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.317 -12.903 -11.085 1.00 0.00 H new ATOM 92 N PRO A 7 2.400 -16.347 -8.994 1.00 0.00 N ATOM 93 CA PRO A 7 3.277 -17.521 -8.964 1.00 0.00 C ATOM 94 C PRO A 7 3.703 -17.962 -10.360 1.00 0.00 C ATOM 95 O PRO A 7 3.210 -18.962 -10.881 1.00 0.00 O ATOM 96 CB PRO A 7 2.409 -18.596 -8.305 1.00 0.00 C ATOM 97 CG PRO A 7 1.008 -18.178 -8.591 1.00 0.00 C ATOM 98 CD PRO A 7 1.018 -16.675 -8.605 1.00 0.00 C ATOM 0 HA PRO A 7 4.208 -17.321 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.620 -19.583 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.594 -18.652 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.670 -18.575 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.325 -18.556 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.295 -16.275 -9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.767 -16.262 -7.628 1.00 0.00 H new ATOM 106 N GLU A 8 4.622 -17.211 -10.958 1.00 0.00 N ATOM 107 CA GLU A 8 5.114 -17.527 -12.294 1.00 0.00 C ATOM 108 C GLU A 8 6.189 -16.534 -12.727 1.00 0.00 C ATOM 109 O GLU A 8 6.162 -15.365 -12.342 1.00 0.00 O ATOM 110 CB GLU A 8 3.961 -17.518 -13.301 1.00 0.00 C ATOM 111 CG GLU A 8 3.530 -18.906 -13.744 1.00 0.00 C ATOM 112 CD GLU A 8 3.120 -18.952 -15.203 1.00 0.00 C ATOM 113 OE1 GLU A 8 2.231 -18.167 -15.595 1.00 0.00 O ATOM 114 OE2 GLU A 8 3.689 -19.772 -15.953 1.00 0.00 O ATOM 0 H GLU A 8 5.041 -16.380 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 8 5.555 -18.524 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.107 -17.005 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.259 -16.942 -14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.348 -19.607 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.696 -19.238 -13.126 1.00 0.00 H new ATOM 121 N LYS A 9 7.135 -17.008 -13.531 1.00 0.00 N ATOM 122 CA LYS A 9 8.219 -16.164 -14.018 1.00 0.00 C ATOM 123 C LYS A 9 7.749 -15.287 -15.174 1.00 0.00 C ATOM 124 O LYS A 9 8.424 -14.330 -15.554 1.00 0.00 O ATOM 125 CB LYS A 9 9.402 -17.026 -14.465 1.00 0.00 C ATOM 126 CG LYS A 9 9.303 -17.492 -15.907 1.00 0.00 C ATOM 127 CD LYS A 9 8.124 -18.429 -16.111 1.00 0.00 C ATOM 128 CE LYS A 9 8.340 -19.758 -15.403 1.00 0.00 C ATOM 129 NZ LYS A 9 7.111 -20.217 -14.699 1.00 0.00 N ATOM 0 H LYS A 9 7.172 -17.973 -13.859 1.00 0.00 H new ATOM 0 HA LYS A 9 8.537 -15.517 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.323 -16.458 -14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.472 -17.897 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.200 -16.628 -16.563 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.225 -17.999 -16.190 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.215 -17.959 -15.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.976 -18.603 -17.177 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.645 -20.511 -16.129 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.154 -19.659 -14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.165 -19.948 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.276 -19.773 -15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.032 -21.251 -14.777 1.00 0.00 H new ATOM 143 N ASP A 10 6.589 -15.619 -15.728 1.00 0.00 N ATOM 144 CA ASP A 10 6.027 -14.860 -16.839 1.00 0.00 C ATOM 145 C ASP A 10 4.602 -14.413 -16.527 1.00 0.00 C ATOM 146 O ASP A 10 3.670 -14.705 -17.277 1.00 0.00 O ATOM 147 CB ASP A 10 6.043 -15.699 -18.118 1.00 0.00 C ATOM 148 CG ASP A 10 5.181 -16.941 -18.006 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.369 -17.707 -17.038 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.320 -17.148 -18.887 1.00 0.00 O ATOM 0 H ASP A 10 6.019 -16.409 -15.426 1.00 0.00 H new ATOM 0 HA ASP A 10 6.642 -13.973 -16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.693 -15.091 -18.952 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.068 -15.991 -18.345 1.00 0.00 H new ATOM 155 N CYS A 11 4.441 -13.703 -15.415 1.00 0.00 N ATOM 156 CA CYS A 11 3.130 -13.216 -15.002 1.00 0.00 C ATOM 157 C CYS A 11 3.235 -12.390 -13.723 1.00 0.00 C ATOM 158 O CYS A 11 3.964 -12.749 -12.799 1.00 0.00 O ATOM 159 CB CYS A 11 2.172 -14.390 -14.787 1.00 0.00 C ATOM 160 SG CYS A 11 0.726 -13.989 -13.754 1.00 0.00 S ATOM 0 H CYS A 11 5.202 -13.452 -14.784 1.00 0.00 H new ATOM 0 HA CYS A 11 2.740 -12.578 -15.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.825 -14.744 -15.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.719 -15.212 -14.325 1.00 0.00 H new ATOM 165 N GLN A 12 2.501 -11.283 -13.679 1.00 0.00 N ATOM 166 CA GLN A 12 2.512 -10.406 -12.514 1.00 0.00 C ATOM 167 C GLN A 12 1.259 -9.537 -12.475 1.00 0.00 C ATOM 168 O GLN A 12 1.071 -8.662 -13.321 1.00 0.00 O ATOM 169 CB GLN A 12 3.760 -9.522 -12.527 1.00 0.00 C ATOM 170 CG GLN A 12 3.995 -8.820 -13.855 1.00 0.00 C ATOM 171 CD GLN A 12 5.308 -8.062 -13.890 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.688 -7.412 -12.917 1.00 0.00 O ATOM 173 NE2 GLN A 12 6.008 -8.143 -15.016 1.00 0.00 N ATOM 0 H GLN A 12 1.892 -10.972 -14.436 1.00 0.00 H new ATOM 0 HA GLN A 12 2.527 -11.030 -11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.673 -8.773 -11.740 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.631 -10.133 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.984 -9.557 -14.658 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.175 -8.128 -14.046 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.654 -8.694 -15.798 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.899 -7.654 -15.099 1.00 0.00 H new ATOM 182 N LYS A 13 0.405 -9.784 -11.488 1.00 0.00 N ATOM 183 CA LYS A 13 -0.831 -9.024 -11.337 1.00 0.00 C ATOM 184 C LYS A 13 -0.689 -7.966 -10.248 1.00 0.00 C ATOM 185 O LYS A 13 -0.439 -8.287 -9.086 1.00 0.00 O ATOM 186 CB LYS A 13 -1.993 -9.962 -11.004 1.00 0.00 C ATOM 187 CG LYS A 13 -2.988 -10.126 -12.139 1.00 0.00 C ATOM 188 CD LYS A 13 -3.760 -8.842 -12.393 1.00 0.00 C ATOM 189 CE LYS A 13 -4.937 -8.702 -11.441 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.141 -8.151 -12.123 1.00 0.00 N ATOM 0 H LYS A 13 0.546 -10.505 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.037 -8.522 -12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.594 -10.941 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.516 -9.582 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.461 -10.420 -13.047 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.685 -10.929 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.094 -7.987 -12.278 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.119 -8.830 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.176 -9.676 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.659 -8.050 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.921 -8.071 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.921 -7.211 -12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.423 -8.786 -12.897 1.00 0.00 H new ATOM 204 N VAL A 14 -0.851 -6.704 -10.631 1.00 0.00 N ATOM 205 CA VAL A 14 -0.744 -5.598 -9.686 1.00 0.00 C ATOM 206 C VAL A 14 -1.540 -5.881 -8.417 1.00 0.00 C ATOM 207 O VAL A 14 -2.688 -6.323 -8.477 1.00 0.00 O ATOM 208 CB VAL A 14 -1.239 -4.279 -10.307 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.449 -3.951 -11.565 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.728 -4.359 -10.609 1.00 0.00 C ATOM 0 H VAL A 14 -1.057 -6.421 -11.589 1.00 0.00 H new ATOM 0 HA VAL A 14 0.312 -5.498 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.079 -3.476 -9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.813 -3.016 -11.990 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.607 -3.849 -11.315 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.574 -4.753 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.061 -3.418 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.914 -5.172 -11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.277 -4.544 -9.686 1.00 0.00 H new ATOM 220 N HIS A 15 -0.923 -5.622 -7.268 1.00 0.00 N ATOM 221 CA HIS A 15 -1.576 -5.847 -5.983 1.00 0.00 C ATOM 222 C HIS A 15 -1.233 -4.734 -4.998 1.00 0.00 C ATOM 223 O HIS A 15 -0.480 -3.814 -5.320 1.00 0.00 O ATOM 224 CB HIS A 15 -1.160 -7.201 -5.407 1.00 0.00 C ATOM 225 CG HIS A 15 -2.252 -7.890 -4.649 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.239 -8.042 -3.279 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.398 -8.470 -5.079 1.00 0.00 C ATOM 228 CE1 HIS A 15 -3.328 -8.686 -2.899 1.00 0.00 C ATOM 229 NE2 HIS A 15 -4.048 -8.957 -3.972 1.00 0.00 N ATOM 0 H HIS A 15 0.027 -5.257 -7.201 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.654 -5.845 -6.145 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.830 -7.847 -6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.305 -7.058 -4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.737 -8.537 -6.102 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.586 -8.947 -1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.942 -9.448 -3.978 1.00 0.00 H new ATOM 237 N THR A 16 -1.790 -4.823 -3.794 1.00 0.00 N ATOM 238 CA THR A 16 -1.545 -3.823 -2.762 1.00 0.00 C ATOM 239 C THR A 16 -1.433 -4.469 -1.386 1.00 0.00 C ATOM 240 O THR A 16 -2.356 -5.143 -0.928 1.00 0.00 O ATOM 241 CB THR A 16 -2.664 -2.764 -2.729 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.441 -2.835 -3.930 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.081 -1.367 -2.578 1.00 0.00 C ATOM 0 H THR A 16 -2.414 -5.578 -3.510 1.00 0.00 H new ATOM 0 HA THR A 16 -0.601 -3.337 -3.011 1.00 0.00 H new ATOM 0 HB THR A 16 -3.304 -2.969 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.151 -2.160 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.889 -0.636 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.514 -1.308 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.422 -1.155 -3.420 1.00 0.00 H new ATOM 251 N CYS A 17 -0.296 -4.260 -0.731 1.00 0.00 N ATOM 252 CA CYS A 17 -0.062 -4.821 0.594 1.00 0.00 C ATOM 253 C CYS A 17 -1.101 -4.316 1.591 1.00 0.00 C ATOM 254 O CYS A 17 -0.969 -3.221 2.139 1.00 0.00 O ATOM 255 CB CYS A 17 1.344 -4.465 1.081 1.00 0.00 C ATOM 256 SG CYS A 17 2.641 -5.611 0.514 1.00 0.00 S ATOM 0 H CYS A 17 0.478 -3.706 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.151 -5.905 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.590 -3.459 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.345 -4.443 2.171 1.00 0.00 H new ATOM 261 N ARG A 18 -2.133 -5.121 1.820 1.00 0.00 N ATOM 262 CA ARG A 18 -3.195 -4.755 2.750 1.00 0.00 C ATOM 263 C ARG A 18 -2.906 -5.296 4.147 1.00 0.00 C ATOM 264 O ARG A 18 -3.802 -5.393 4.984 1.00 0.00 O ATOM 265 CB ARG A 18 -4.542 -5.287 2.254 1.00 0.00 C ATOM 266 CG ARG A 18 -4.817 -4.979 0.791 1.00 0.00 C ATOM 267 CD ARG A 18 -6.305 -5.022 0.484 1.00 0.00 C ATOM 268 NE ARG A 18 -6.955 -3.740 0.744 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.260 -3.536 0.604 1.00 0.00 C ATOM 270 NH1 ARG A 18 -9.051 -4.524 0.209 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.778 -2.341 0.860 1.00 0.00 N ATOM 0 H ARG A 18 -2.257 -6.030 1.375 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.238 -3.667 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.573 -6.367 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.339 -4.859 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.422 -3.993 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.293 -5.699 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.452 -5.298 -0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.777 -5.797 1.088 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.375 -2.959 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.658 -5.444 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.053 -4.364 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.174 -1.578 1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.780 -2.186 0.752 1.00 0.00 H new ATOM 285 N ASN A 19 -1.647 -5.648 4.390 1.00 0.00 N ATOM 286 CA ASN A 19 -1.240 -6.181 5.685 1.00 0.00 C ATOM 287 C ASN A 19 -0.447 -5.143 6.475 1.00 0.00 C ATOM 288 O ASN A 19 -0.393 -3.973 6.100 1.00 0.00 O ATOM 289 CB ASN A 19 -0.400 -7.446 5.498 1.00 0.00 C ATOM 290 CG ASN A 19 -1.084 -8.466 4.608 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.844 -9.311 5.082 1.00 0.00 O ATOM 292 ND2 ASN A 19 -0.814 -8.393 3.309 1.00 0.00 N ATOM 0 H ASN A 19 -0.892 -5.574 3.708 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.140 -6.430 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.564 -7.178 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.199 -7.893 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.243 -9.054 2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.178 -7.676 2.960 1.00 0.00 H new ATOM 299 N GLU A 20 0.167 -5.583 7.569 1.00 0.00 N ATOM 300 CA GLU A 20 0.956 -4.692 8.411 1.00 0.00 C ATOM 301 C GLU A 20 2.414 -4.666 7.959 1.00 0.00 C ATOM 302 O GLU A 20 3.329 -4.766 8.776 1.00 0.00 O ATOM 303 CB GLU A 20 0.873 -5.131 9.875 1.00 0.00 C ATOM 304 CG GLU A 20 -0.548 -5.203 10.408 1.00 0.00 C ATOM 305 CD GLU A 20 -0.609 -5.701 11.839 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.232 -4.936 12.751 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.035 -6.857 12.046 1.00 0.00 O ATOM 0 H GLU A 20 0.133 -6.550 7.892 1.00 0.00 H new ATOM 0 HA GLU A 20 0.546 -3.687 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.341 -6.110 9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.447 -4.436 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.004 -4.215 10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.138 -5.863 9.772 1.00 0.00 H new ATOM 314 N GLU A 21 2.620 -4.531 6.653 1.00 0.00 N ATOM 315 CA GLU A 21 3.965 -4.493 6.092 1.00 0.00 C ATOM 316 C GLU A 21 4.212 -3.179 5.357 1.00 0.00 C ATOM 317 O GLU A 21 3.327 -2.328 5.270 1.00 0.00 O ATOM 318 CB GLU A 21 4.178 -5.671 5.139 1.00 0.00 C ATOM 319 CG GLU A 21 3.672 -6.996 5.685 1.00 0.00 C ATOM 320 CD GLU A 21 4.102 -7.238 7.119 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.298 -7.045 7.421 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.241 -7.620 7.940 1.00 0.00 O ATOM 0 H GLU A 21 1.873 -4.446 5.964 1.00 0.00 H new ATOM 0 HA GLU A 21 4.676 -4.568 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.674 -5.460 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.242 -5.761 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.584 -7.017 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.040 -7.808 5.057 1.00 0.00 H new ATOM 329 N LYS A 22 5.421 -3.021 4.830 1.00 0.00 N ATOM 330 CA LYS A 22 5.786 -1.812 4.101 1.00 0.00 C ATOM 331 C LYS A 22 6.366 -2.155 2.733 1.00 0.00 C ATOM 332 O LYS A 22 6.144 -1.438 1.757 1.00 0.00 O ATOM 333 CB LYS A 22 6.799 -0.993 4.906 1.00 0.00 C ATOM 334 CG LYS A 22 6.239 -0.438 6.204 1.00 0.00 C ATOM 335 CD LYS A 22 7.275 0.381 6.953 1.00 0.00 C ATOM 336 CE LYS A 22 7.408 1.780 6.371 1.00 0.00 C ATOM 337 NZ LYS A 22 8.426 1.835 5.286 1.00 0.00 N ATOM 0 H LYS A 22 6.165 -3.715 4.894 1.00 0.00 H new ATOM 0 HA LYS A 22 4.883 -1.220 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.663 -1.619 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.156 -0.167 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.369 0.183 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.898 -1.259 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.996 0.448 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.240 -0.125 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.443 2.104 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.682 2.478 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.120 2.579 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.912 0.918 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.958 2.046 4.381 1.00 0.00 H new ATOM 351 N ILE A 23 7.108 -3.255 2.670 1.00 0.00 N ATOM 352 CA ILE A 23 7.717 -3.694 1.420 1.00 0.00 C ATOM 353 C ILE A 23 7.200 -5.069 1.010 1.00 0.00 C ATOM 354 O ILE A 23 6.562 -5.766 1.800 1.00 0.00 O ATOM 355 CB ILE A 23 9.252 -3.748 1.530 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.677 -4.824 2.531 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.801 -2.389 1.941 1.00 0.00 C ATOM 358 CD1 ILE A 23 11.170 -5.063 2.564 1.00 0.00 C ATOM 0 H ILE A 23 7.302 -3.858 3.469 1.00 0.00 H new ATOM 0 HA ILE A 23 7.441 -2.963 0.661 1.00 0.00 H new ATOM 0 HB ILE A 23 9.662 -4.005 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.341 -4.535 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.173 -5.758 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.887 -2.443 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.524 -1.644 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.385 -2.106 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.398 -5.838 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.509 -5.383 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.680 -4.141 2.842 1.00 0.00 H new ATOM 370 N CYS A 24 7.482 -5.455 -0.230 1.00 0.00 N ATOM 371 CA CYS A 24 7.047 -6.748 -0.746 1.00 0.00 C ATOM 372 C CYS A 24 8.204 -7.482 -1.418 1.00 0.00 C ATOM 373 O CYS A 24 8.941 -6.904 -2.217 1.00 0.00 O ATOM 374 CB CYS A 24 5.900 -6.563 -1.741 1.00 0.00 C ATOM 375 SG CYS A 24 6.036 -5.061 -2.763 1.00 0.00 S ATOM 0 H CYS A 24 8.010 -4.891 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 24 6.698 -7.348 0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.858 -7.433 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.959 -6.532 -1.192 1.00 0.00 H new ATOM 380 N VAL A 25 8.357 -8.761 -1.088 1.00 0.00 N ATOM 381 CA VAL A 25 9.423 -9.575 -1.659 1.00 0.00 C ATOM 382 C VAL A 25 8.880 -10.899 -2.186 1.00 0.00 C ATOM 383 O VAL A 25 7.935 -11.460 -1.632 1.00 0.00 O ATOM 384 CB VAL A 25 10.527 -9.861 -0.624 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.930 -10.454 0.644 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.580 -10.788 -1.211 1.00 0.00 C ATOM 0 H VAL A 25 7.756 -9.255 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 25 9.849 -9.005 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 25 11.010 -8.919 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.725 -10.649 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.217 -9.751 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.420 -11.387 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.352 -10.979 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.114 -11.730 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.029 -10.320 -2.087 1.00 0.00 H new ATOM 396 N LYS A 26 9.486 -11.394 -3.260 1.00 0.00 N ATOM 397 CA LYS A 26 9.066 -12.654 -3.863 1.00 0.00 C ATOM 398 C LYS A 26 10.219 -13.652 -3.897 1.00 0.00 C ATOM 399 O LYS A 26 11.367 -13.280 -4.141 1.00 0.00 O ATOM 400 CB LYS A 26 8.542 -12.415 -5.280 1.00 0.00 C ATOM 401 CG LYS A 26 7.907 -13.643 -5.909 1.00 0.00 C ATOM 402 CD LYS A 26 8.108 -13.666 -7.415 1.00 0.00 C ATOM 403 CE LYS A 26 8.894 -14.892 -7.854 1.00 0.00 C ATOM 404 NZ LYS A 26 8.310 -15.518 -9.073 1.00 0.00 N ATOM 0 H LYS A 26 10.270 -10.942 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 26 8.266 -13.071 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.809 -11.609 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.365 -12.078 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.339 -14.542 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.841 -13.658 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.138 -13.657 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.635 -12.764 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.928 -14.609 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.912 -15.621 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.740 -16.453 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.283 -15.625 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.498 -14.913 -9.898 1.00 0.00 H new ATOM 418 N ARG A 27 9.905 -14.920 -3.653 1.00 0.00 N ATOM 419 CA ARG A 27 10.916 -15.971 -3.656 1.00 0.00 C ATOM 420 C ARG A 27 10.436 -17.183 -4.449 1.00 0.00 C ATOM 421 O ARG A 27 9.296 -17.624 -4.302 1.00 0.00 O ATOM 422 CB ARG A 27 11.254 -16.387 -2.224 1.00 0.00 C ATOM 423 CG ARG A 27 11.414 -15.214 -1.271 1.00 0.00 C ATOM 424 CD ARG A 27 12.171 -15.616 -0.014 1.00 0.00 C ATOM 425 NE ARG A 27 11.310 -16.295 0.950 1.00 0.00 N ATOM 426 CZ ARG A 27 11.750 -16.811 2.092 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.034 -16.724 2.412 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.905 -17.414 2.918 1.00 0.00 N ATOM 0 H ARG A 27 8.959 -15.245 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 27 11.813 -15.577 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.468 -17.043 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.177 -16.967 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.945 -14.405 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.431 -14.829 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.000 -16.271 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.603 -14.729 0.448 1.00 0.00 H new ATOM 0 HE ARG A 27 10.316 -16.378 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.687 -16.260 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.369 -17.121 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.916 -17.482 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.244 -17.810 3.795 1.00 0.00 H new ATOM 442 N PHE A 28 11.315 -17.718 -5.291 1.00 0.00 N ATOM 443 CA PHE A 28 10.981 -18.879 -6.109 1.00 0.00 C ATOM 444 C PHE A 28 12.186 -19.803 -6.259 1.00 0.00 C ATOM 445 O PHE A 28 13.331 -19.379 -6.098 1.00 0.00 O ATOM 446 CB PHE A 28 10.491 -18.433 -7.488 1.00 0.00 C ATOM 447 CG PHE A 28 11.543 -17.736 -8.302 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.816 -16.393 -8.101 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.259 -18.424 -9.268 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.784 -15.749 -8.849 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.228 -17.786 -10.019 1.00 0.00 C ATOM 452 CZ PHE A 28 13.491 -16.446 -9.809 1.00 0.00 C ATOM 0 H PHE A 28 12.263 -17.366 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 28 10.184 -19.429 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.136 -19.305 -8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.638 -17.766 -7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.266 -15.843 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.058 -19.472 -9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.987 -14.701 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.779 -18.334 -10.769 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.248 -15.945 -10.394 1.00 0.00 H new ATOM 462 N TYR A 29 11.920 -21.067 -6.567 1.00 0.00 N ATOM 463 CA TYR A 29 12.981 -22.052 -6.736 1.00 0.00 C ATOM 464 C TYR A 29 12.903 -22.706 -8.112 1.00 0.00 C ATOM 465 O TYR A 29 11.816 -22.975 -8.624 1.00 0.00 O ATOM 466 CB TYR A 29 12.892 -23.121 -5.645 1.00 0.00 C ATOM 467 CG TYR A 29 14.234 -23.684 -5.237 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.787 -24.769 -5.905 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.951 -23.129 -4.184 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.013 -25.287 -5.535 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.178 -23.639 -3.808 1.00 0.00 C ATOM 472 CZ TYR A 29 16.705 -24.718 -4.486 1.00 0.00 C ATOM 473 OH TYR A 29 17.927 -25.230 -4.115 1.00 0.00 O ATOM 0 H TYR A 29 10.978 -21.434 -6.705 1.00 0.00 H new ATOM 0 HA TYR A 29 13.938 -21.536 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.405 -22.694 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.258 -23.935 -5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.249 -25.216 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.542 -22.284 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.427 -26.133 -6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.722 -23.195 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 29 18.264 -25.818 -4.823 1.00 0.00 H new ATOM 483 N ASP A 30 14.064 -22.960 -8.706 1.00 0.00 N ATOM 484 CA ASP A 30 14.130 -23.585 -10.022 1.00 0.00 C ATOM 485 C ASP A 30 15.150 -24.719 -10.035 1.00 0.00 C ATOM 486 O ASP A 30 16.324 -24.517 -9.727 1.00 0.00 O ATOM 487 CB ASP A 30 14.490 -22.546 -11.085 1.00 0.00 C ATOM 488 CG ASP A 30 15.910 -22.035 -10.938 1.00 0.00 C ATOM 489 OD1 ASP A 30 16.254 -21.544 -9.842 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.678 -22.128 -11.918 1.00 0.00 O ATOM 0 H ASP A 30 14.973 -22.743 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 30 13.149 -24.001 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.366 -22.985 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.797 -21.708 -11.019 1.00 0.00 H new ATOM 495 N LYS A 31 14.692 -25.915 -10.393 1.00 0.00 N ATOM 496 CA LYS A 31 15.563 -27.083 -10.446 1.00 0.00 C ATOM 497 C LYS A 31 14.869 -28.247 -11.146 1.00 0.00 C ATOM 498 O LYS A 31 13.643 -28.291 -11.228 1.00 0.00 O ATOM 499 CB LYS A 31 15.982 -27.498 -9.034 1.00 0.00 C ATOM 500 CG LYS A 31 17.380 -28.087 -8.963 1.00 0.00 C ATOM 501 CD LYS A 31 17.343 -29.604 -8.888 1.00 0.00 C ATOM 502 CE LYS A 31 18.504 -30.151 -8.072 1.00 0.00 C ATOM 503 NZ LYS A 31 18.792 -31.574 -8.402 1.00 0.00 N ATOM 0 H LYS A 31 13.723 -26.100 -10.651 1.00 0.00 H new ATOM 0 HA LYS A 31 16.452 -26.817 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.929 -26.629 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.269 -28.229 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.950 -27.779 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.899 -27.691 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.401 -29.924 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.377 -30.020 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.393 -29.548 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.274 -30.064 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.589 -31.910 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.952 -32.154 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.036 -31.654 -9.410 1.00 0.00 H new ATOM 574 N TRP A 36 9.640 -25.781 -10.869 1.00 0.00 N ATOM 575 CA TRP A 36 9.641 -24.334 -10.683 1.00 0.00 C ATOM 576 C TRP A 36 8.478 -23.898 -9.799 1.00 0.00 C ATOM 577 O TRP A 36 7.315 -24.144 -10.121 1.00 0.00 O ATOM 578 CB TRP A 36 9.563 -23.626 -12.037 1.00 0.00 C ATOM 579 CG TRP A 36 9.667 -22.134 -11.933 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.721 -21.279 -11.446 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.779 -21.324 -12.328 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.178 -19.984 -11.514 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.438 -19.985 -12.051 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.030 -21.598 -12.887 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.303 -18.927 -12.315 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.888 -20.546 -13.149 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.522 -19.224 -12.863 1.00 0.00 C ATOM 0 HA TRP A 36 10.572 -24.056 -10.189 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.363 -23.995 -12.679 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.621 -23.885 -12.521 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.756 -21.576 -11.064 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.662 -19.157 -11.213 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.322 -22.614 -13.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.022 -17.907 -12.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.857 -20.747 -13.582 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.215 -18.424 -13.079 1.00 0.00 H new ATOM 598 N ARG A 37 8.798 -23.249 -8.685 1.00 0.00 N ATOM 599 CA ARG A 37 7.778 -22.779 -7.755 1.00 0.00 C ATOM 600 C ARG A 37 8.087 -21.362 -7.279 1.00 0.00 C ATOM 601 O ARG A 37 9.222 -21.053 -6.916 1.00 0.00 O ATOM 602 CB ARG A 37 7.681 -23.722 -6.554 1.00 0.00 C ATOM 603 CG ARG A 37 7.072 -25.073 -6.888 1.00 0.00 C ATOM 604 CD ARG A 37 5.560 -25.060 -6.720 1.00 0.00 C ATOM 605 NE ARG A 37 5.167 -24.917 -5.321 1.00 0.00 N ATOM 606 CZ ARG A 37 3.907 -24.781 -4.922 1.00 0.00 C ATOM 607 NH1 ARG A 37 2.924 -24.771 -5.812 1.00 0.00 N ATOM 608 NH2 ARG A 37 3.628 -24.656 -3.631 1.00 0.00 N ATOM 0 H ARG A 37 9.755 -23.036 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 37 6.822 -22.767 -8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.678 -23.875 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.084 -23.246 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.323 -25.343 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.504 -25.838 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.138 -24.240 -7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.143 -25.983 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 37 5.900 -24.922 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.134 -24.868 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.957 -24.666 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.381 -24.664 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.660 -24.552 -3.326 1.00 0.00 H new ATOM 622 N ALA A 38 7.071 -20.507 -7.285 1.00 0.00 N ATOM 623 CA ALA A 38 7.233 -19.124 -6.853 1.00 0.00 C ATOM 624 C ALA A 38 6.192 -18.751 -5.803 1.00 0.00 C ATOM 625 O ALA A 38 5.110 -19.336 -5.754 1.00 0.00 O ATOM 626 CB ALA A 38 7.142 -18.184 -8.047 1.00 0.00 C ATOM 0 H ALA A 38 6.126 -20.747 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 38 8.219 -19.024 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.265 -17.155 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.927 -18.428 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.169 -18.296 -8.525 1.00 0.00 H new ATOM 632 N GLN A 39 6.527 -17.775 -4.966 1.00 0.00 N ATOM 633 CA GLN A 39 5.620 -17.326 -3.916 1.00 0.00 C ATOM 634 C GLN A 39 5.999 -15.931 -3.429 1.00 0.00 C ATOM 635 O GLN A 39 7.113 -15.711 -2.952 1.00 0.00 O ATOM 636 CB GLN A 39 5.636 -18.309 -2.744 1.00 0.00 C ATOM 637 CG GLN A 39 4.266 -18.542 -2.127 1.00 0.00 C ATOM 638 CD GLN A 39 3.482 -19.627 -2.839 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.051 -20.452 -3.555 1.00 0.00 O ATOM 640 NE2 GLN A 39 2.168 -19.632 -2.646 1.00 0.00 N ATOM 0 H GLN A 39 7.419 -17.280 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 39 4.614 -17.285 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.038 -19.263 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.312 -17.935 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.386 -18.814 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.698 -17.612 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.738 -18.929 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.589 -20.339 -3.099 1.00 0.00 H new ATOM 649 N ARG A 40 5.067 -14.992 -3.554 1.00 0.00 N ATOM 650 CA ARG A 40 5.304 -13.618 -3.128 1.00 0.00 C ATOM 651 C ARG A 40 4.647 -13.346 -1.778 1.00 0.00 C ATOM 652 O ARG A 40 3.683 -14.010 -1.400 1.00 0.00 O ATOM 653 CB ARG A 40 4.770 -12.638 -4.174 1.00 0.00 C ATOM 654 CG ARG A 40 5.304 -11.224 -4.012 1.00 0.00 C ATOM 655 CD ARG A 40 4.923 -10.346 -5.194 1.00 0.00 C ATOM 656 NE ARG A 40 6.026 -10.188 -6.137 1.00 0.00 N ATOM 657 CZ ARG A 40 6.215 -10.978 -7.187 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.377 -11.978 -7.428 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.243 -10.770 -8.000 1.00 0.00 N ATOM 0 H ARG A 40 4.140 -15.158 -3.947 1.00 0.00 H new ATOM 0 HA ARG A 40 6.380 -13.477 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.029 -13.004 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.682 -12.615 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.912 -10.789 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.389 -11.253 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.066 -10.782 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.612 -9.366 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 40 6.688 -9.428 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.585 -12.141 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.524 -12.584 -8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.889 -10.002 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.387 -11.378 -8.806 1.00 0.00 H new ATOM 673 N GLY A 41 5.176 -12.364 -1.055 1.00 0.00 N ATOM 674 CA GLY A 41 4.629 -12.022 0.245 1.00 0.00 C ATOM 675 C GLY A 41 5.101 -10.667 0.735 1.00 0.00 C ATOM 676 O GLY A 41 6.186 -10.211 0.372 1.00 0.00 O ATOM 0 H GLY A 41 5.974 -11.799 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.540 -12.026 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.914 -12.786 0.968 1.00 0.00 H new ATOM 680 N CYS A 42 4.285 -10.021 1.561 1.00 0.00 N ATOM 681 CA CYS A 42 4.624 -8.709 2.100 1.00 0.00 C ATOM 682 C CYS A 42 5.519 -8.841 3.328 1.00 0.00 C ATOM 683 O CYS A 42 5.545 -9.883 3.982 1.00 0.00 O ATOM 684 CB CYS A 42 3.352 -7.940 2.462 1.00 0.00 C ATOM 685 SG CYS A 42 2.334 -7.468 1.027 1.00 0.00 S ATOM 0 H CYS A 42 3.384 -10.385 1.872 1.00 0.00 H new ATOM 0 HA CYS A 42 5.168 -8.157 1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.751 -8.551 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.628 -7.039 3.010 1.00 0.00 H new ATOM 690 N ALA A 43 6.252 -7.775 3.636 1.00 0.00 N ATOM 691 CA ALA A 43 7.146 -7.770 4.787 1.00 0.00 C ATOM 692 C ALA A 43 7.656 -6.363 5.080 1.00 0.00 C ATOM 693 O ALA A 43 7.417 -5.433 4.310 1.00 0.00 O ATOM 694 CB ALA A 43 8.313 -8.718 4.552 1.00 0.00 C ATOM 0 H ALA A 43 6.244 -6.905 3.104 1.00 0.00 H new ATOM 0 HA ALA A 43 6.583 -8.112 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.973 -8.705 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.935 -9.729 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.868 -8.400 3.669 1.00 0.00 H new ATOM 700 N VAL A 44 8.360 -6.214 6.197 1.00 0.00 N ATOM 701 CA VAL A 44 8.904 -4.920 6.592 1.00 0.00 C ATOM 702 C VAL A 44 10.428 -4.933 6.563 1.00 0.00 C ATOM 703 O VAL A 44 11.076 -3.985 7.007 1.00 0.00 O ATOM 704 CB VAL A 44 8.431 -4.519 8.002 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.994 -4.022 7.962 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.573 -5.688 8.964 1.00 0.00 C ATOM 0 H VAL A 44 8.567 -6.974 6.845 1.00 0.00 H new ATOM 0 HA VAL A 44 8.536 -4.189 5.872 1.00 0.00 H new ATOM 0 HB VAL A 44 9.062 -3.705 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.677 -3.743 8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.927 -3.154 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.346 -4.813 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.234 -5.387 9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.968 -6.524 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.618 -5.992 9.015 1.00 0.00 H new ATOM 716 N SER A 45 10.996 -6.014 6.038 1.00 0.00 N ATOM 717 CA SER A 45 12.445 -6.153 5.954 1.00 0.00 C ATOM 718 C SER A 45 12.847 -6.903 4.688 1.00 0.00 C ATOM 719 O SER A 45 12.048 -7.641 4.110 1.00 0.00 O ATOM 720 CB SER A 45 12.980 -6.885 7.186 1.00 0.00 C ATOM 721 OG SER A 45 12.419 -8.181 7.293 1.00 0.00 O ATOM 0 H SER A 45 10.474 -6.807 5.664 1.00 0.00 H new ATOM 0 HA SER A 45 12.879 -5.154 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.066 -6.959 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.749 -6.310 8.083 1.00 0.00 H new ATOM 0 HG SER A 45 12.778 -8.628 8.087 1.00 0.00 H new ATOM 727 N CYS A 46 14.091 -6.709 4.263 1.00 0.00 N ATOM 728 CA CYS A 46 14.601 -7.366 3.065 1.00 0.00 C ATOM 729 C CYS A 46 15.664 -8.400 3.423 1.00 0.00 C ATOM 730 O CYS A 46 16.866 -8.145 3.340 1.00 0.00 O ATOM 731 CB CYS A 46 15.184 -6.331 2.100 1.00 0.00 C ATOM 732 SG CYS A 46 15.742 -7.028 0.512 1.00 0.00 S ATOM 0 H CYS A 46 14.765 -6.102 4.730 1.00 0.00 H new ATOM 0 HA CYS A 46 13.770 -7.878 2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.431 -5.567 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.026 -5.834 2.582 1.00 0.00 H new ATOM 737 N PRO A 47 15.213 -9.595 3.832 1.00 0.00 N ATOM 738 CA PRO A 47 16.109 -10.692 4.210 1.00 0.00 C ATOM 739 C PRO A 47 16.853 -11.272 3.012 1.00 0.00 C ATOM 740 O PRO A 47 16.839 -10.700 1.922 1.00 0.00 O ATOM 741 CB PRO A 47 15.161 -11.735 4.807 1.00 0.00 C ATOM 742 CG PRO A 47 13.842 -11.455 4.172 1.00 0.00 C ATOM 743 CD PRO A 47 13.794 -9.968 3.955 1.00 0.00 C ATOM 0 HA PRO A 47 16.889 -10.363 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.499 -12.748 4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.105 -11.645 5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.742 -11.991 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.023 -11.782 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.232 -9.711 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.315 -9.455 4.789 1.00 0.00 H new ATOM 751 N LYS A 48 17.502 -12.413 3.220 1.00 0.00 N ATOM 752 CA LYS A 48 18.251 -13.073 2.157 1.00 0.00 C ATOM 753 C LYS A 48 17.836 -14.535 2.027 1.00 0.00 C ATOM 754 O LYS A 48 16.912 -14.991 2.700 1.00 0.00 O ATOM 755 CB LYS A 48 19.753 -12.980 2.430 1.00 0.00 C ATOM 756 CG LYS A 48 20.139 -13.365 3.848 1.00 0.00 C ATOM 757 CD LYS A 48 20.125 -14.873 4.040 1.00 0.00 C ATOM 758 CE LYS A 48 20.964 -15.290 5.238 1.00 0.00 C ATOM 759 NZ LYS A 48 22.422 -15.137 4.974 1.00 0.00 N ATOM 0 H LYS A 48 17.524 -12.900 4.116 1.00 0.00 H new ATOM 0 HA LYS A 48 18.027 -12.565 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.282 -13.627 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.087 -11.961 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.133 -12.978 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.449 -12.901 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.099 -15.214 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.505 -15.359 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.686 -14.688 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.747 -16.328 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.961 -15.685 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.640 -15.486 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.684 -14.133 5.044 1.00 0.00 H new ATOM 773 N ALA A 49 18.527 -15.266 1.158 1.00 0.00 N ATOM 774 CA ALA A 49 18.233 -16.678 0.943 1.00 0.00 C ATOM 775 C ALA A 49 19.453 -17.417 0.406 1.00 0.00 C ATOM 776 O ALA A 49 20.508 -16.820 0.186 1.00 0.00 O ATOM 777 CB ALA A 49 17.057 -16.832 -0.010 1.00 0.00 C ATOM 0 H ALA A 49 19.294 -14.904 0.592 1.00 0.00 H new ATOM 0 HA ALA A 49 17.968 -17.120 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.848 -17.891 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.179 -16.346 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.301 -16.369 -0.966 1.00 0.00 H new ATOM 783 N LYS A 50 19.305 -18.721 0.196 1.00 0.00 N ATOM 784 CA LYS A 50 20.394 -19.543 -0.316 1.00 0.00 C ATOM 785 C LYS A 50 20.755 -19.140 -1.743 1.00 0.00 C ATOM 786 O LYS A 50 19.974 -18.504 -2.450 1.00 0.00 O ATOM 787 CB LYS A 50 20.007 -21.023 -0.275 1.00 0.00 C ATOM 788 CG LYS A 50 20.337 -21.702 1.043 1.00 0.00 C ATOM 789 CD LYS A 50 19.731 -23.093 1.120 1.00 0.00 C ATOM 790 CE LYS A 50 20.487 -24.079 0.243 1.00 0.00 C ATOM 791 NZ LYS A 50 20.160 -25.491 0.586 1.00 0.00 N ATOM 0 H LYS A 50 18.440 -19.231 0.373 1.00 0.00 H new ATOM 0 HA LYS A 50 21.265 -19.384 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.937 -21.116 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.520 -21.546 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.419 -21.768 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.965 -21.096 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.743 -23.440 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.687 -23.054 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.245 -23.894 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.559 -23.917 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.695 -26.132 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.415 -25.675 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.141 -25.653 0.454 1.00 0.00 H new ATOM 805 N PRO A 51 21.966 -19.521 -2.178 1.00 0.00 N ATOM 806 CA PRO A 51 22.456 -19.212 -3.524 1.00 0.00 C ATOM 807 C PRO A 51 21.715 -19.992 -4.604 1.00 0.00 C ATOM 808 O PRO A 51 21.788 -19.656 -5.786 1.00 0.00 O ATOM 809 CB PRO A 51 23.926 -19.636 -3.472 1.00 0.00 C ATOM 810 CG PRO A 51 23.983 -20.675 -2.406 1.00 0.00 C ATOM 811 CD PRO A 51 22.948 -20.282 -1.389 1.00 0.00 C ATOM 0 HA PRO A 51 22.309 -18.163 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.257 -20.034 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.574 -18.791 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.774 -21.664 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.975 -20.719 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.496 -21.155 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.378 -19.677 -0.591 1.00 0.00 H new ATOM 819 N ASN A 52 21.002 -21.034 -4.191 1.00 0.00 N ATOM 820 CA ASN A 52 20.247 -21.862 -5.125 1.00 0.00 C ATOM 821 C ASN A 52 18.918 -21.204 -5.485 1.00 0.00 C ATOM 822 O ASN A 52 18.571 -21.087 -6.659 1.00 0.00 O ATOM 823 CB ASN A 52 19.996 -23.246 -4.523 1.00 0.00 C ATOM 824 CG ASN A 52 21.284 -23.985 -4.216 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.830 -24.686 -5.068 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.777 -23.832 -2.992 1.00 0.00 N ATOM 0 H ASN A 52 20.931 -21.326 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 52 20.837 -21.969 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.414 -23.141 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.397 -23.837 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.641 -24.305 -2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.292 -23.241 -2.317 1.00 0.00 H new ATOM 833 N GLU A 53 18.181 -20.775 -4.465 1.00 0.00 N ATOM 834 CA GLU A 53 16.891 -20.129 -4.675 1.00 0.00 C ATOM 835 C GLU A 53 17.074 -18.677 -5.108 1.00 0.00 C ATOM 836 O GLU A 53 18.191 -18.159 -5.132 1.00 0.00 O ATOM 837 CB GLU A 53 16.051 -20.189 -3.397 1.00 0.00 C ATOM 838 CG GLU A 53 16.488 -19.195 -2.334 1.00 0.00 C ATOM 839 CD GLU A 53 16.058 -19.606 -0.939 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.854 -19.485 -0.629 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.926 -20.049 -0.158 1.00 0.00 O ATOM 0 H GLU A 53 18.455 -20.863 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 53 16.370 -20.665 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.007 -20.003 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.104 -21.196 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.573 -19.094 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.071 -18.215 -2.565 1.00 0.00 H new ATOM 848 N THR A 54 15.968 -18.023 -5.450 1.00 0.00 N ATOM 849 CA THR A 54 16.005 -16.633 -5.884 1.00 0.00 C ATOM 850 C THR A 54 15.013 -15.784 -5.096 1.00 0.00 C ATOM 851 O THR A 54 13.869 -16.186 -4.883 1.00 0.00 O ATOM 852 CB THR A 54 15.692 -16.504 -7.387 1.00 0.00 C ATOM 853 OG1 THR A 54 16.638 -17.262 -8.150 1.00 0.00 O ATOM 854 CG2 THR A 54 15.729 -15.048 -7.825 1.00 0.00 C ATOM 0 H THR A 54 15.035 -18.435 -5.434 1.00 0.00 H new ATOM 0 HA THR A 54 17.017 -16.272 -5.699 1.00 0.00 H new ATOM 0 HB THR A 54 14.689 -16.893 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.432 -17.177 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.505 -14.983 -8.890 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.988 -14.480 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.721 -14.637 -7.637 1.00 0.00 H new ATOM 862 N VAL A 55 15.458 -14.608 -4.665 1.00 0.00 N ATOM 863 CA VAL A 55 14.609 -13.702 -3.902 1.00 0.00 C ATOM 864 C VAL A 55 14.769 -12.264 -4.382 1.00 0.00 C ATOM 865 O VAL A 55 15.885 -11.792 -4.595 1.00 0.00 O ATOM 866 CB VAL A 55 14.928 -13.768 -2.396 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.043 -12.805 -1.620 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.766 -15.189 -1.879 1.00 0.00 C ATOM 0 H VAL A 55 16.402 -14.261 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 55 13.580 -14.023 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 55 15.966 -13.469 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.283 -12.866 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.214 -11.788 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.997 -13.070 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.995 -15.217 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.739 -15.519 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.447 -15.851 -2.414 1.00 0.00 H new ATOM 878 N GLN A 56 13.646 -11.573 -4.549 1.00 0.00 N ATOM 879 CA GLN A 56 13.662 -10.188 -5.004 1.00 0.00 C ATOM 880 C GLN A 56 12.716 -9.330 -4.170 1.00 0.00 C ATOM 881 O GLN A 56 11.496 -9.475 -4.250 1.00 0.00 O ATOM 882 CB GLN A 56 13.271 -10.110 -6.481 1.00 0.00 C ATOM 883 CG GLN A 56 13.954 -11.157 -7.347 1.00 0.00 C ATOM 884 CD GLN A 56 13.012 -12.266 -7.773 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.666 -13.141 -6.836 1.00 0.00 O flip ATOM 886 NE2 GLN A 56 12.600 -12.336 -8.931 1.00 0.00 N flip ATOM 0 H GLN A 56 12.714 -11.950 -4.376 1.00 0.00 H new ATOM 0 HA GLN A 56 14.675 -9.804 -4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.191 -10.226 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.517 -9.119 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.368 -10.676 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.791 -11.588 -6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.892 -11.642 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.967 -13.088 -9.202 1.00 0.00 H new ATOM 895 N CYS A 57 13.287 -8.436 -3.370 1.00 0.00 N ATOM 896 CA CYS A 57 12.496 -7.555 -2.520 1.00 0.00 C ATOM 897 C CYS A 57 12.436 -6.146 -3.103 1.00 0.00 C ATOM 898 O CYS A 57 13.402 -5.667 -3.698 1.00 0.00 O ATOM 899 CB CYS A 57 13.085 -7.509 -1.108 1.00 0.00 C ATOM 900 SG CYS A 57 14.596 -6.503 -0.965 1.00 0.00 S ATOM 0 H CYS A 57 14.295 -8.303 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 57 11.482 -7.953 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.333 -7.115 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.307 -8.526 -0.785 1.00 0.00 H new ATOM 905 N CYS A 58 11.296 -5.487 -2.928 1.00 0.00 N ATOM 906 CA CYS A 58 11.108 -4.134 -3.437 1.00 0.00 C ATOM 907 C CYS A 58 10.434 -3.249 -2.392 1.00 0.00 C ATOM 908 O CYS A 58 9.518 -3.683 -1.693 1.00 0.00 O ATOM 909 CB CYS A 58 10.271 -4.159 -4.717 1.00 0.00 C ATOM 910 SG CYS A 58 11.234 -3.897 -6.241 1.00 0.00 S ATOM 0 H CYS A 58 10.487 -5.868 -2.437 1.00 0.00 H new ATOM 0 HA CYS A 58 12.090 -3.718 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.758 -5.119 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.501 -3.390 -4.650 1.00 0.00 H new ATOM 915 N SER A 59 10.894 -2.006 -2.292 1.00 0.00 N ATOM 916 CA SER A 59 10.338 -1.060 -1.331 1.00 0.00 C ATOM 917 C SER A 59 9.863 0.210 -2.030 1.00 0.00 C ATOM 918 O SER A 59 9.921 1.303 -1.466 1.00 0.00 O ATOM 919 CB SER A 59 11.381 -0.710 -0.267 1.00 0.00 C ATOM 920 OG SER A 59 12.558 -0.189 -0.859 1.00 0.00 O ATOM 0 H SER A 59 11.650 -1.630 -2.864 1.00 0.00 H new ATOM 0 HA SER A 59 9.481 -1.531 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.966 0.020 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.625 -1.599 0.314 1.00 0.00 H new ATOM 0 HG SER A 59 13.208 0.028 -0.158 1.00 0.00 H new ATOM 926 N THR A 60 9.391 0.057 -3.264 1.00 0.00 N ATOM 927 CA THR A 60 8.907 1.190 -4.042 1.00 0.00 C ATOM 928 C THR A 60 7.635 0.831 -4.802 1.00 0.00 C ATOM 929 O THR A 60 7.391 -0.337 -5.106 1.00 0.00 O ATOM 930 CB THR A 60 9.970 1.679 -5.044 1.00 0.00 C ATOM 931 OG1 THR A 60 11.056 0.748 -5.099 1.00 0.00 O ATOM 932 CG2 THR A 60 10.492 3.053 -4.652 1.00 0.00 C ATOM 0 H THR A 60 9.334 -0.841 -3.745 1.00 0.00 H new ATOM 0 HA THR A 60 8.691 1.990 -3.334 1.00 0.00 H new ATOM 0 HB THR A 60 9.505 1.752 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.727 1.065 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.241 3.377 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.667 3.766 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.942 3.002 -3.661 1.00 0.00 H new ATOM 940 N ASP A 61 6.829 1.841 -5.108 1.00 0.00 N ATOM 941 CA ASP A 61 5.582 1.632 -5.835 1.00 0.00 C ATOM 942 C ASP A 61 5.857 1.224 -7.279 1.00 0.00 C ATOM 943 O ASP A 61 6.651 1.858 -7.974 1.00 0.00 O ATOM 944 CB ASP A 61 4.730 2.902 -5.804 1.00 0.00 C ATOM 945 CG ASP A 61 5.487 4.119 -6.298 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.326 4.644 -5.537 1.00 0.00 O ATOM 947 OD2 ASP A 61 5.238 4.548 -7.445 1.00 0.00 O ATOM 0 H ASP A 61 7.017 2.813 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 61 5.036 0.825 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.842 2.756 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.386 3.081 -4.785 1.00 0.00 H new ATOM 952 N LYS A 62 5.197 0.160 -7.723 1.00 0.00 N ATOM 953 CA LYS A 62 5.368 -0.334 -9.084 1.00 0.00 C ATOM 954 C LYS A 62 6.789 -0.847 -9.301 1.00 0.00 C ATOM 955 O LYS A 62 7.263 -0.928 -10.435 1.00 0.00 O ATOM 956 CB LYS A 62 5.054 0.772 -10.094 1.00 0.00 C ATOM 957 CG LYS A 62 3.794 1.554 -9.766 1.00 0.00 C ATOM 958 CD LYS A 62 2.566 0.660 -9.767 1.00 0.00 C ATOM 959 CE LYS A 62 2.199 0.218 -11.175 1.00 0.00 C ATOM 960 NZ LYS A 62 1.864 1.375 -12.050 1.00 0.00 N ATOM 0 H LYS A 62 4.538 -0.377 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 62 4.674 -1.161 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.898 1.461 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.949 0.329 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.901 2.025 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.662 2.355 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.752 -0.217 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.726 1.193 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.030 -0.337 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.349 -0.463 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.308 1.045 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.309 2.069 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.741 1.820 -12.388 1.00 0.00 H new ATOM 974 N CYS A 63 7.462 -1.193 -8.209 1.00 0.00 N ATOM 975 CA CYS A 63 8.827 -1.699 -8.280 1.00 0.00 C ATOM 976 C CYS A 63 8.838 -3.220 -8.399 1.00 0.00 C ATOM 977 O CYS A 63 9.397 -3.775 -9.344 1.00 0.00 O ATOM 978 CB CYS A 63 9.618 -1.268 -7.043 1.00 0.00 C ATOM 979 SG CYS A 63 11.249 -2.063 -6.889 1.00 0.00 S ATOM 0 H CYS A 63 7.084 -1.132 -7.264 1.00 0.00 H new ATOM 0 HA CYS A 63 9.298 -1.279 -9.169 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.754 -0.187 -7.070 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.031 -1.493 -6.153 1.00 0.00 H new ATOM 984 N ASN A 64 8.215 -3.888 -7.433 1.00 0.00 N ATOM 985 CA ASN A 64 8.153 -5.345 -7.429 1.00 0.00 C ATOM 986 C ASN A 64 7.625 -5.871 -8.761 1.00 0.00 C ATOM 987 O ASN A 64 6.454 -5.687 -9.093 1.00 0.00 O ATOM 988 CB ASN A 64 7.263 -5.836 -6.285 1.00 0.00 C ATOM 989 CG ASN A 64 7.874 -7.005 -5.538 1.00 0.00 C ATOM 990 OD1 ASN A 64 9.092 -7.182 -5.528 1.00 0.00 O ATOM 991 ND2 ASN A 64 7.027 -7.811 -4.907 1.00 0.00 N ATOM 0 H ASN A 64 7.746 -3.444 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 64 9.164 -5.726 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.086 -5.016 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.292 -6.131 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.379 -8.615 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.025 -7.626 -4.942 1.00 0.00 H new ATOM 998 N LYS A 65 8.497 -6.527 -9.519 1.00 0.00 N ATOM 999 CA LYS A 65 8.120 -7.081 -10.814 1.00 0.00 C ATOM 1000 C LYS A 65 7.301 -8.357 -10.642 1.00 0.00 C ATOM 1001 O LYS A 65 7.285 -9.219 -11.520 1.00 0.00 O ATOM 1002 CB LYS A 65 9.368 -7.374 -11.649 1.00 0.00 C ATOM 1003 CG LYS A 65 9.344 -6.730 -13.025 1.00 0.00 C ATOM 1004 CD LYS A 65 10.742 -6.369 -13.497 1.00 0.00 C ATOM 1005 CE LYS A 65 11.504 -7.595 -13.975 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.946 -8.133 -15.247 1.00 0.00 N ATOM 0 H LYS A 65 9.470 -6.688 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 65 7.508 -6.343 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.247 -7.024 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.473 -8.453 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.883 -7.413 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.726 -5.833 -12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.677 -5.642 -14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.290 -5.893 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.553 -7.337 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.468 -8.368 -13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.640 -8.769 -15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.072 -8.660 -15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.735 -7.346 -15.894 1.00 0.00 H new