USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot 180:sc= 0.0312 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -110:sc= -0.158 (180deg=-1.59!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 34 TYR OH : rot 180:sc= -2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -80:sc= 0.197 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 42 TYR OH : rot 39:sc= 1.39 USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= -0.197 (180deg=-2.26!) USER MOD Single : A 45 SER OG : rot -114:sc= 0.0934 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0115 (180deg=-0.176) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -154:sc= 0.155 USER MOD Single : A 55 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.5!) USER MOD Single : A 58 SER OG : rot 140:sc= -0.313 USER MOD Single : A 67 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-2.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -28:sc= 0.641 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -149:sc= -1.19 (180deg=-4.29!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0441 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.818 4.093 0.406 1.00 0.00 N ATOM 60 CA GLY A 7 -1.659 3.290 0.748 1.00 0.00 C ATOM 61 C GLY A 7 -1.949 2.298 1.859 1.00 0.00 C ATOM 62 O GLY A 7 -3.020 2.329 2.465 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.320 2.751 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.844 3.946 1.054 1.00 0.00 H new ATOM 66 N LEU A 8 -0.993 1.415 2.124 1.00 0.00 N ATOM 67 CA LEU A 8 -1.151 0.408 3.168 1.00 0.00 C ATOM 68 C LEU A 8 0.202 0.009 3.749 1.00 0.00 C ATOM 69 O LEU A 8 1.156 -0.239 3.012 1.00 0.00 O ATOM 70 CB LEU A 8 -1.862 -0.826 2.611 1.00 0.00 C ATOM 71 CG LEU A 8 -3.352 -0.661 2.307 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.837 -1.776 1.393 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.160 -0.635 3.596 1.00 0.00 C ATOM 0 H LEU A 8 -0.101 1.376 1.631 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.756 0.840 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.356 -1.130 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.745 -1.641 3.325 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.495 0.290 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.899 -1.642 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.280 -1.747 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.680 -2.739 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.218 -0.517 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.011 -1.569 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.831 0.200 4.215 1.00 0.00 H new ATOM 85 N ILE A 9 0.276 -0.051 5.075 1.00 0.00 N ATOM 86 CA ILE A 9 1.511 -0.422 5.754 1.00 0.00 C ATOM 87 C ILE A 9 1.488 -1.889 6.173 1.00 0.00 C ATOM 88 O ILE A 9 0.929 -2.239 7.211 1.00 0.00 O ATOM 89 CB ILE A 9 1.754 0.452 6.999 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.646 1.934 6.636 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.117 0.146 7.602 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.885 2.483 5.964 1.00 0.00 C ATOM 0 H ILE A 9 -0.504 0.152 5.699 1.00 0.00 H new ATOM 0 HA ILE A 9 2.322 -0.261 5.044 1.00 0.00 H new ATOM 0 HB ILE A 9 0.990 0.223 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.791 2.077 5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.449 2.508 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.275 0.771 8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.159 -0.904 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.895 0.351 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.737 3.538 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.740 2.372 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.072 1.934 5.041 1.00 0.00 H new ATOM 104 N ALA A 10 2.100 -2.741 5.358 1.00 0.00 N ATOM 105 CA ALA A 10 2.154 -4.169 5.645 1.00 0.00 C ATOM 106 C ALA A 10 3.379 -4.515 6.485 1.00 0.00 C ATOM 107 O ALA A 10 4.516 -4.352 6.039 1.00 0.00 O ATOM 108 CB ALA A 10 2.156 -4.968 4.351 1.00 0.00 C ATOM 0 H ALA A 10 2.566 -2.467 4.493 1.00 0.00 H new ATOM 0 HA ALA A 10 1.266 -4.432 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.197 -6.033 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.247 -4.753 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.026 -4.692 3.754 1.00 0.00 H new ATOM 114 N CYS A 11 3.141 -4.991 7.702 1.00 0.00 N ATOM 115 CA CYS A 11 4.226 -5.357 8.605 1.00 0.00 C ATOM 116 C CYS A 11 4.532 -6.848 8.510 1.00 0.00 C ATOM 117 O CYS A 11 3.780 -7.681 9.016 1.00 0.00 O ATOM 118 CB CYS A 11 3.866 -4.989 10.046 1.00 0.00 C ATOM 119 SG CYS A 11 5.134 -4.026 10.901 1.00 0.00 S ATOM 0 H CYS A 11 2.207 -5.132 8.086 1.00 0.00 H new ATOM 0 HA CYS A 11 5.116 -4.802 8.308 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.935 -4.422 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.680 -5.904 10.608 1.00 0.00 H new ATOM 0 HG CYS A 11 4.737 -3.762 12.110 1.00 0.00 H new ATOM 125 N VAL A 12 5.642 -7.178 7.856 1.00 0.00 N ATOM 126 CA VAL A 12 6.048 -8.569 7.694 1.00 0.00 C ATOM 127 C VAL A 12 6.959 -9.013 8.833 1.00 0.00 C ATOM 128 O VAL A 12 7.655 -8.198 9.437 1.00 0.00 O ATOM 129 CB VAL A 12 6.775 -8.788 6.354 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.402 -10.137 5.758 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.455 -7.661 5.384 1.00 0.00 C ATOM 0 H VAL A 12 6.275 -6.501 7.430 1.00 0.00 H new ATOM 0 HA VAL A 12 5.138 -9.168 7.708 1.00 0.00 H new ATOM 0 HB VAL A 12 7.849 -8.784 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.925 -10.274 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.687 -10.931 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.326 -10.174 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.977 -7.832 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.381 -7.631 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.778 -6.711 5.811 1.00 0.00 H new ATOM 141 N ALA A 13 6.949 -10.311 9.120 1.00 0.00 N ATOM 142 CA ALA A 13 7.776 -10.864 10.185 1.00 0.00 C ATOM 143 C ALA A 13 8.902 -11.720 9.616 1.00 0.00 C ATOM 144 O ALA A 13 9.869 -12.032 10.311 1.00 0.00 O ATOM 145 CB ALA A 13 6.923 -11.678 11.146 1.00 0.00 C ATOM 0 H ALA A 13 6.377 -10.999 8.630 1.00 0.00 H new ATOM 0 HA ALA A 13 8.226 -10.035 10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.553 -12.085 11.936 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.158 -11.038 11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.445 -12.495 10.606 1.00 0.00 H new ATOM 151 N ASN A 14 8.769 -12.099 8.349 1.00 0.00 N ATOM 152 CA ASN A 14 9.776 -12.923 7.688 1.00 0.00 C ATOM 153 C ASN A 14 10.914 -12.061 7.149 1.00 0.00 C ATOM 154 O ASN A 14 10.770 -11.396 6.123 1.00 0.00 O ATOM 155 CB ASN A 14 9.142 -13.722 6.548 1.00 0.00 C ATOM 156 CG ASN A 14 9.369 -15.214 6.692 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.349 -15.649 7.297 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.459 -16.007 6.137 1.00 0.00 N ATOM 0 H ASN A 14 7.975 -11.849 7.760 1.00 0.00 H new ATOM 0 HA ASN A 14 10.185 -13.615 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.071 -13.521 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.555 -13.384 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.557 -17.020 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.662 -15.603 5.645 1.00 0.00 H new ATOM 165 N ASP A 15 12.043 -12.079 7.848 1.00 0.00 N ATOM 166 CA ASP A 15 13.207 -11.301 7.439 1.00 0.00 C ATOM 167 C ASP A 15 13.671 -11.709 6.044 1.00 0.00 C ATOM 168 O ASP A 15 14.486 -11.026 5.426 1.00 0.00 O ATOM 169 CB ASP A 15 14.348 -11.485 8.442 1.00 0.00 C ATOM 170 CG ASP A 15 14.862 -12.910 8.481 1.00 0.00 C ATOM 171 OD1 ASP A 15 14.041 -13.833 8.670 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.084 -13.105 8.322 1.00 0.00 O ATOM 0 H ASP A 15 12.177 -12.623 8.700 1.00 0.00 H new ATOM 0 HA ASP A 15 12.920 -10.250 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.167 -10.814 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.004 -11.199 9.436 1.00 0.00 H new ATOM 177 N ASP A 16 13.146 -12.828 5.556 1.00 0.00 N ATOM 178 CA ASP A 16 13.506 -13.327 4.233 1.00 0.00 C ATOM 179 C ASP A 16 12.858 -12.485 3.140 1.00 0.00 C ATOM 180 O ASP A 16 13.396 -12.356 2.039 1.00 0.00 O ATOM 181 CB ASP A 16 13.084 -14.790 4.085 1.00 0.00 C ATOM 182 CG ASP A 16 13.724 -15.686 5.128 1.00 0.00 C ATOM 183 OD1 ASP A 16 14.908 -16.041 4.958 1.00 0.00 O ATOM 184 OD2 ASP A 16 13.039 -16.031 6.114 1.00 0.00 O ATOM 0 H ASP A 16 12.471 -13.406 6.056 1.00 0.00 H new ATOM 0 HA ASP A 16 14.589 -13.256 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.999 -14.862 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.355 -15.144 3.090 1.00 0.00 H new ATOM 189 N VAL A 17 11.698 -11.913 3.449 1.00 0.00 N ATOM 190 CA VAL A 17 10.976 -11.082 2.492 1.00 0.00 C ATOM 191 C VAL A 17 11.793 -9.857 2.102 1.00 0.00 C ATOM 192 O VAL A 17 11.496 -9.188 1.111 1.00 0.00 O ATOM 193 CB VAL A 17 9.620 -10.622 3.061 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.036 -9.504 2.209 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.655 -11.795 3.150 1.00 0.00 C ATOM 0 H VAL A 17 11.238 -12.010 4.354 1.00 0.00 H new ATOM 0 HA VAL A 17 10.802 -11.695 1.608 1.00 0.00 H new ATOM 0 HB VAL A 17 9.779 -10.235 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.078 -9.191 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.722 -8.657 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.889 -9.862 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.702 -11.453 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.498 -12.213 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.072 -12.561 3.804 1.00 0.00 H new ATOM 205 N PHE A 18 12.826 -9.566 2.887 1.00 0.00 N ATOM 206 CA PHE A 18 13.687 -8.419 2.624 1.00 0.00 C ATOM 207 C PHE A 18 14.968 -8.851 1.916 1.00 0.00 C ATOM 208 O PHE A 18 16.029 -8.261 2.114 1.00 0.00 O ATOM 209 CB PHE A 18 14.031 -7.702 3.931 1.00 0.00 C ATOM 210 CG PHE A 18 12.824 -7.244 4.699 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.086 -8.140 5.456 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.426 -5.917 4.664 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.975 -7.721 6.162 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.316 -5.492 5.369 1.00 0.00 C ATOM 215 CZ PHE A 18 10.591 -6.395 6.120 1.00 0.00 C ATOM 0 H PHE A 18 13.087 -10.109 3.710 1.00 0.00 H new ATOM 0 HA PHE A 18 13.146 -7.733 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.619 -8.371 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.659 -6.839 3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.383 -9.178 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.990 -5.206 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.407 -8.430 6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.016 -4.455 5.332 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.725 -6.065 6.674 1.00 0.00 H new ATOM 262 N GLU A 22 14.146 -14.175 -3.801 1.00 0.00 N ATOM 263 CA GLU A 22 12.905 -14.324 -4.551 1.00 0.00 C ATOM 264 C GLU A 22 11.694 -14.129 -3.643 1.00 0.00 C ATOM 265 O GLU A 22 10.644 -13.655 -4.080 1.00 0.00 O ATOM 266 CB GLU A 22 12.844 -15.703 -5.211 1.00 0.00 C ATOM 267 CG GLU A 22 12.560 -15.651 -6.702 1.00 0.00 C ATOM 268 CD GLU A 22 13.477 -16.558 -7.502 1.00 0.00 C ATOM 269 OE1 GLU A 22 14.710 -16.404 -7.388 1.00 0.00 O ATOM 270 OE2 GLU A 22 12.960 -17.422 -8.241 1.00 0.00 O ATOM 0 HA GLU A 22 12.884 -13.557 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.791 -16.217 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.071 -16.296 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.524 -15.938 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.672 -14.625 -7.054 1.00 0.00 H new ATOM 277 N THR A 23 11.846 -14.499 -2.375 1.00 0.00 N ATOM 278 CA THR A 23 10.766 -14.367 -1.405 1.00 0.00 C ATOM 279 C THR A 23 10.038 -13.038 -1.570 1.00 0.00 C ATOM 280 O THR A 23 8.808 -12.993 -1.601 1.00 0.00 O ATOM 281 CB THR A 23 11.292 -14.476 0.039 1.00 0.00 C ATOM 282 OG1 THR A 23 12.278 -15.511 0.125 1.00 0.00 O ATOM 283 CG2 THR A 23 10.156 -14.768 1.008 1.00 0.00 C ATOM 0 H THR A 23 12.707 -14.893 -1.996 1.00 0.00 H new ATOM 0 HA THR A 23 10.070 -15.185 -1.593 1.00 0.00 H new ATOM 0 HB THR A 23 11.744 -13.522 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.608 -15.572 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.552 -14.841 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.422 -13.963 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.679 -15.710 0.736 1.00 0.00 H new ATOM 291 N ARG A 24 10.805 -11.958 -1.676 1.00 0.00 N ATOM 292 CA ARG A 24 10.232 -10.628 -1.838 1.00 0.00 C ATOM 293 C ARG A 24 9.178 -10.619 -2.941 1.00 0.00 C ATOM 294 O ARG A 24 8.097 -10.055 -2.777 1.00 0.00 O ATOM 295 CB ARG A 24 11.329 -9.611 -2.159 1.00 0.00 C ATOM 296 CG ARG A 24 10.800 -8.222 -2.473 1.00 0.00 C ATOM 297 CD ARG A 24 11.881 -7.164 -2.313 1.00 0.00 C ATOM 298 NE ARG A 24 12.847 -7.198 -3.408 1.00 0.00 N ATOM 299 CZ ARG A 24 12.577 -6.775 -4.638 1.00 0.00 C ATOM 300 NH1 ARG A 24 11.378 -6.289 -4.929 1.00 0.00 N ATOM 301 NH2 ARG A 24 13.508 -6.839 -5.582 1.00 0.00 N ATOM 0 H ARG A 24 11.825 -11.978 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 24 9.753 -10.351 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.012 -9.547 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.908 -9.971 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.416 -8.200 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.964 -7.992 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.419 -6.178 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.400 -7.316 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 24 13.779 -7.566 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.659 -6.239 -4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.175 -5.965 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.431 -7.213 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.300 -6.514 -6.526 1.00 0.00 H new ATOM 315 N ALA A 25 9.503 -11.249 -4.066 1.00 0.00 N ATOM 316 CA ALA A 25 8.584 -11.316 -5.196 1.00 0.00 C ATOM 317 C ALA A 25 7.268 -11.975 -4.796 1.00 0.00 C ATOM 318 O ALA A 25 6.196 -11.566 -5.242 1.00 0.00 O ATOM 319 CB ALA A 25 9.224 -12.071 -6.352 1.00 0.00 C ATOM 0 H ALA A 25 10.395 -11.720 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 25 8.367 -10.297 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.527 -12.114 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.134 -11.557 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.470 -13.084 -6.033 1.00 0.00 H new ATOM 325 N LYS A 26 7.356 -12.997 -3.952 1.00 0.00 N ATOM 326 CA LYS A 26 6.173 -13.713 -3.491 1.00 0.00 C ATOM 327 C LYS A 26 5.235 -12.781 -2.731 1.00 0.00 C ATOM 328 O LYS A 26 4.015 -12.940 -2.776 1.00 0.00 O ATOM 329 CB LYS A 26 6.579 -14.887 -2.596 1.00 0.00 C ATOM 330 CG LYS A 26 7.278 -16.009 -3.344 1.00 0.00 C ATOM 331 CD LYS A 26 8.029 -16.928 -2.396 1.00 0.00 C ATOM 332 CE LYS A 26 9.293 -17.480 -3.037 1.00 0.00 C ATOM 333 NZ LYS A 26 10.365 -17.720 -2.034 1.00 0.00 N ATOM 0 H LYS A 26 8.235 -13.348 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 26 5.646 -14.096 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.238 -14.521 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.689 -15.286 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.543 -16.586 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.973 -15.586 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.289 -16.383 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.381 -17.752 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.062 -18.413 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.652 -16.781 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.129 -17.027 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.973 -17.620 -1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.744 -18.681 -2.154 1.00 0.00 H new ATOM 347 N PHE A 27 5.812 -11.808 -2.034 1.00 0.00 N ATOM 348 CA PHE A 27 5.027 -10.850 -1.264 1.00 0.00 C ATOM 349 C PHE A 27 4.371 -9.823 -2.182 1.00 0.00 C ATOM 350 O PHE A 27 3.200 -9.483 -2.014 1.00 0.00 O ATOM 351 CB PHE A 27 5.913 -10.141 -0.238 1.00 0.00 C ATOM 352 CG PHE A 27 5.240 -8.978 0.433 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.128 -7.757 -0.212 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.716 -9.107 1.710 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.509 -6.686 0.403 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.096 -8.038 2.332 1.00 0.00 C ATOM 357 CZ PHE A 27 3.992 -6.827 1.676 1.00 0.00 C ATOM 0 H PHE A 27 6.820 -11.662 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 27 4.243 -11.397 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.222 -10.859 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.819 -9.790 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.530 -7.641 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.793 -10.053 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.429 -5.740 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.694 -8.150 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.507 -5.991 2.158 1.00 0.00 H new ATOM 367 N GLU A 28 5.134 -9.332 -3.154 1.00 0.00 N ATOM 368 CA GLU A 28 4.627 -8.343 -4.097 1.00 0.00 C ATOM 369 C GLU A 28 3.507 -8.930 -4.951 1.00 0.00 C ATOM 370 O GLU A 28 2.384 -8.427 -4.952 1.00 0.00 O ATOM 371 CB GLU A 28 5.757 -7.836 -4.996 1.00 0.00 C ATOM 372 CG GLU A 28 6.345 -6.509 -4.546 1.00 0.00 C ATOM 373 CD GLU A 28 7.721 -6.253 -5.128 1.00 0.00 C ATOM 374 OE1 GLU A 28 8.390 -7.229 -5.524 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.129 -5.074 -5.188 1.00 0.00 O ATOM 0 H GLU A 28 6.105 -9.603 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 28 4.225 -7.507 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.550 -8.584 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.381 -7.730 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.675 -5.701 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.406 -6.493 -3.458 1.00 0.00 H new ATOM 382 N SER A 29 3.823 -9.997 -5.678 1.00 0.00 N ATOM 383 CA SER A 29 2.845 -10.651 -6.540 1.00 0.00 C ATOM 384 C SER A 29 1.457 -10.621 -5.908 1.00 0.00 C ATOM 385 O SER A 29 0.447 -10.511 -6.605 1.00 0.00 O ATOM 386 CB SER A 29 3.263 -12.097 -6.815 1.00 0.00 C ATOM 387 OG SER A 29 2.497 -12.659 -7.866 1.00 0.00 O ATOM 0 H SER A 29 4.748 -10.427 -5.687 1.00 0.00 H new ATOM 0 HA SER A 29 2.806 -10.106 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.321 -12.130 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.138 -12.693 -5.911 1.00 0.00 H new ATOM 0 HG SER A 29 2.785 -13.583 -8.023 1.00 0.00 H new ATOM 393 N LEU A 30 1.415 -10.719 -4.584 1.00 0.00 N ATOM 394 CA LEU A 30 0.151 -10.703 -3.856 1.00 0.00 C ATOM 395 C LEU A 30 -0.637 -9.433 -4.159 1.00 0.00 C ATOM 396 O LEU A 30 -1.788 -9.491 -4.589 1.00 0.00 O ATOM 397 CB LEU A 30 0.405 -10.813 -2.351 1.00 0.00 C ATOM 398 CG LEU A 30 1.026 -12.125 -1.869 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.478 -12.001 -0.422 1.00 0.00 C ATOM 400 CD2 LEU A 30 0.038 -13.271 -2.026 1.00 0.00 C ATOM 0 H LEU A 30 2.241 -10.810 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.438 -11.560 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.059 -9.994 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.543 -10.670 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 30 1.900 -12.339 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.917 -12.944 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.220 -11.207 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.621 -11.763 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.496 -14.197 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.855 -13.065 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.236 -13.374 -3.076 1.00 0.00 H new ATOM 412 N PHE A 31 -0.007 -8.285 -3.933 1.00 0.00 N ATOM 413 CA PHE A 31 -0.647 -6.999 -4.184 1.00 0.00 C ATOM 414 C PHE A 31 -0.645 -6.671 -5.674 1.00 0.00 C ATOM 415 O PHE A 31 -1.688 -6.368 -6.255 1.00 0.00 O ATOM 416 CB PHE A 31 0.064 -5.890 -3.405 1.00 0.00 C ATOM 417 CG PHE A 31 0.246 -6.204 -1.948 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.310 -6.983 -1.520 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.645 -5.719 -1.004 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.479 -7.273 -0.180 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.480 -6.006 0.338 1.00 0.00 C ATOM 422 CZ PHE A 31 0.584 -6.783 0.751 1.00 0.00 C ATOM 0 H PHE A 31 0.946 -8.219 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.681 -7.065 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.041 -5.710 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.507 -4.966 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.015 -7.367 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.478 -5.109 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.311 -7.883 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.183 -5.623 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.716 -7.007 1.799 1.00 0.00 H new ATOM 432 N ARG A 32 0.533 -6.733 -6.286 1.00 0.00 N ATOM 433 CA ARG A 32 0.672 -6.441 -7.707 1.00 0.00 C ATOM 434 C ARG A 32 -0.469 -7.066 -8.505 1.00 0.00 C ATOM 435 O ARG A 32 -1.047 -6.430 -9.387 1.00 0.00 O ATOM 436 CB ARG A 32 2.014 -6.959 -8.227 1.00 0.00 C ATOM 437 CG ARG A 32 2.721 -5.989 -9.159 1.00 0.00 C ATOM 438 CD ARG A 32 2.021 -5.901 -10.507 1.00 0.00 C ATOM 439 NE ARG A 32 2.875 -5.300 -11.528 1.00 0.00 N ATOM 440 CZ ARG A 32 3.979 -5.873 -11.993 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.361 -7.056 -11.531 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.702 -5.264 -12.924 1.00 0.00 N ATOM 0 H ARG A 32 1.405 -6.983 -5.820 1.00 0.00 H new ATOM 0 HA ARG A 32 0.633 -5.359 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.664 -7.174 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.852 -7.901 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.755 -5.001 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.753 -6.309 -9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.722 -6.899 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.109 -5.313 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 32 2.609 -4.390 -11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.806 -7.528 -10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.209 -7.494 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.410 -4.355 -13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.550 -5.705 -13.281 1.00 0.00 H new ATOM 456 N THR A 33 -0.789 -8.318 -8.189 1.00 0.00 N ATOM 457 CA THR A 33 -1.860 -9.029 -8.876 1.00 0.00 C ATOM 458 C THR A 33 -3.097 -8.152 -9.024 1.00 0.00 C ATOM 459 O THR A 33 -3.719 -8.111 -10.086 1.00 0.00 O ATOM 460 CB THR A 33 -2.245 -10.320 -8.131 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.258 -11.331 -8.358 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.607 -10.822 -8.586 1.00 0.00 C ATOM 0 H THR A 33 -0.322 -8.860 -7.462 1.00 0.00 H new ATOM 0 HA THR A 33 -1.483 -9.288 -9.865 1.00 0.00 H new ATOM 0 HB THR A 33 -2.295 -10.096 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.636 -11.356 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.857 -11.735 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.361 -10.062 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.580 -11.029 -9.656 1.00 0.00 H new ATOM 470 N TYR A 34 -3.450 -7.450 -7.952 1.00 0.00 N ATOM 471 CA TYR A 34 -4.615 -6.573 -7.962 1.00 0.00 C ATOM 472 C TYR A 34 -4.395 -5.384 -8.892 1.00 0.00 C ATOM 473 O TYR A 34 -4.985 -5.306 -9.970 1.00 0.00 O ATOM 474 CB TYR A 34 -4.919 -6.079 -6.547 1.00 0.00 C ATOM 475 CG TYR A 34 -4.991 -7.187 -5.521 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.863 -8.256 -5.683 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.185 -7.165 -4.389 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.932 -9.271 -4.748 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.245 -8.176 -3.449 1.00 0.00 C ATOM 480 CZ TYR A 34 -5.121 -9.226 -3.633 1.00 0.00 C ATOM 481 OH TYR A 34 -5.186 -10.235 -2.699 1.00 0.00 O ATOM 0 H TYR A 34 -2.946 -7.471 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.466 -7.146 -8.331 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.150 -5.367 -6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.867 -5.541 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.498 -8.295 -6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.500 -6.343 -4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.617 -10.094 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.610 -8.145 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.550 -10.053 -1.976 1.00 0.00 H new ATOM 491 N ASP A 35 -3.540 -4.461 -8.468 1.00 0.00 N ATOM 492 CA ASP A 35 -3.238 -3.275 -9.262 1.00 0.00 C ATOM 493 C ASP A 35 -1.844 -3.370 -9.872 1.00 0.00 C ATOM 494 O ASP A 35 -0.903 -3.835 -9.228 1.00 0.00 O ATOM 495 CB ASP A 35 -3.347 -2.016 -8.399 1.00 0.00 C ATOM 496 CG ASP A 35 -3.513 -0.759 -9.229 1.00 0.00 C ATOM 497 OD1 ASP A 35 -4.565 -0.616 -9.886 1.00 0.00 O ATOM 498 OD2 ASP A 35 -2.591 0.084 -9.222 1.00 0.00 O ATOM 0 H ASP A 35 -3.043 -4.511 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.965 -3.215 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.195 -2.115 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.454 -1.924 -7.780 1.00 0.00 H new ATOM 503 N LYS A 36 -1.719 -2.928 -11.119 1.00 0.00 N ATOM 504 CA LYS A 36 -0.439 -2.963 -11.817 1.00 0.00 C ATOM 505 C LYS A 36 0.344 -1.674 -11.583 1.00 0.00 C ATOM 506 O LYS A 36 1.542 -1.607 -11.859 1.00 0.00 O ATOM 507 CB LYS A 36 -0.660 -3.171 -13.318 1.00 0.00 C ATOM 508 CG LYS A 36 -1.229 -4.536 -13.664 1.00 0.00 C ATOM 509 CD LYS A 36 -0.413 -5.222 -14.748 1.00 0.00 C ATOM 510 CE LYS A 36 -1.287 -6.093 -15.637 1.00 0.00 C ATOM 511 NZ LYS A 36 -1.244 -7.524 -15.225 1.00 0.00 N ATOM 0 H LYS A 36 -2.488 -2.542 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 36 0.140 -3.797 -11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.336 -2.400 -13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.289 -3.039 -13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.247 -5.161 -12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.261 -4.427 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.091 -4.471 -15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.363 -5.833 -14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.316 -5.735 -15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.957 -6.003 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.852 -8.085 -15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.266 -7.874 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.583 -7.614 -14.246 1.00 0.00 H new ATOM 525 N ASP A 37 -0.340 -0.657 -11.071 1.00 0.00 N ATOM 526 CA ASP A 37 0.293 0.628 -10.797 1.00 0.00 C ATOM 527 C ASP A 37 0.565 0.792 -9.305 1.00 0.00 C ATOM 528 O ASP A 37 0.621 1.910 -8.792 1.00 0.00 O ATOM 529 CB ASP A 37 -0.590 1.773 -11.296 1.00 0.00 C ATOM 530 CG ASP A 37 -0.370 2.076 -12.765 1.00 0.00 C ATOM 531 OD1 ASP A 37 -0.873 1.309 -13.612 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.306 3.082 -13.067 1.00 0.00 O ATOM 0 H ASP A 37 -1.332 -0.697 -10.837 1.00 0.00 H new ATOM 0 HA ASP A 37 1.245 0.657 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.637 1.518 -11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.385 2.668 -10.709 1.00 0.00 H new ATOM 537 N THR A 38 0.733 -0.330 -8.612 1.00 0.00 N ATOM 538 CA THR A 38 0.997 -0.312 -7.179 1.00 0.00 C ATOM 539 C THR A 38 2.487 -0.152 -6.896 1.00 0.00 C ATOM 540 O THR A 38 3.324 -0.760 -7.562 1.00 0.00 O ATOM 541 CB THR A 38 0.491 -1.597 -6.497 1.00 0.00 C ATOM 542 OG1 THR A 38 0.330 -2.636 -7.470 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.831 -1.349 -5.788 1.00 0.00 C ATOM 0 H THR A 38 0.691 -1.263 -9.021 1.00 0.00 H new ATOM 0 HA THR A 38 0.458 0.543 -6.770 1.00 0.00 H new ATOM 0 HB THR A 38 1.229 -1.904 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.517 -2.510 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.168 -2.271 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.698 -0.578 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.576 -1.020 -6.512 1.00 0.00 H new ATOM 551 N THR A 39 2.811 0.671 -5.902 1.00 0.00 N ATOM 552 CA THR A 39 4.199 0.910 -5.531 1.00 0.00 C ATOM 553 C THR A 39 4.543 0.222 -4.215 1.00 0.00 C ATOM 554 O THR A 39 3.799 0.320 -3.239 1.00 0.00 O ATOM 555 CB THR A 39 4.494 2.416 -5.404 1.00 0.00 C ATOM 556 OG1 THR A 39 3.901 2.932 -4.207 1.00 0.00 O ATOM 557 CG2 THR A 39 3.963 3.176 -6.609 1.00 0.00 C ATOM 0 H THR A 39 2.130 1.182 -5.340 1.00 0.00 H new ATOM 0 HA THR A 39 4.816 0.493 -6.327 1.00 0.00 H new ATOM 0 HB THR A 39 5.575 2.549 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.095 3.890 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.184 4.237 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.440 2.801 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.885 3.035 -6.682 1.00 0.00 H new ATOM 565 N PHE A 40 5.676 -0.472 -4.193 1.00 0.00 N ATOM 566 CA PHE A 40 6.118 -1.176 -2.995 1.00 0.00 C ATOM 567 C PHE A 40 7.358 -0.514 -2.402 1.00 0.00 C ATOM 568 O PHE A 40 8.377 -0.365 -3.076 1.00 0.00 O ATOM 569 CB PHE A 40 6.414 -2.642 -3.319 1.00 0.00 C ATOM 570 CG PHE A 40 5.239 -3.377 -3.900 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.814 -3.116 -5.193 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.561 -4.327 -3.154 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.733 -3.791 -5.729 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.481 -5.004 -3.685 1.00 0.00 C ATOM 575 CZ PHE A 40 3.066 -4.736 -4.974 1.00 0.00 C ATOM 0 H PHE A 40 6.305 -0.562 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 40 5.315 -1.129 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.246 -2.690 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.736 -3.149 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.332 -2.378 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.881 -4.541 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.410 -3.579 -6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.961 -5.742 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.221 -5.264 -5.391 1.00 0.00 H new ATOM 585 N GLN A 41 7.263 -0.119 -1.137 1.00 0.00 N ATOM 586 CA GLN A 41 8.377 0.528 -0.453 1.00 0.00 C ATOM 587 C GLN A 41 8.801 -0.272 0.774 1.00 0.00 C ATOM 588 O GLN A 41 8.095 -0.302 1.782 1.00 0.00 O ATOM 589 CB GLN A 41 7.993 1.951 -0.042 1.00 0.00 C ATOM 590 CG GLN A 41 9.010 3.000 -0.458 1.00 0.00 C ATOM 591 CD GLN A 41 8.363 4.260 -0.997 1.00 0.00 C ATOM 592 OE1 GLN A 41 7.665 4.229 -2.011 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.592 5.380 -0.319 1.00 0.00 N ATOM 0 H GLN A 41 6.427 -0.235 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 41 9.219 0.572 -1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.027 2.199 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.869 1.987 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.634 3.255 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.668 2.580 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.177 5.360 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.183 6.260 -0.634 1.00 0.00 H new ATOM 602 N TYR A 42 9.958 -0.917 0.682 1.00 0.00 N ATOM 603 CA TYR A 42 10.476 -1.720 1.783 1.00 0.00 C ATOM 604 C TYR A 42 11.407 -0.896 2.668 1.00 0.00 C ATOM 605 O TYR A 42 12.366 -0.292 2.186 1.00 0.00 O ATOM 606 CB TYR A 42 11.217 -2.946 1.246 1.00 0.00 C ATOM 607 CG TYR A 42 10.305 -3.980 0.626 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.674 -4.938 1.410 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.074 -3.999 -0.745 1.00 0.00 C ATOM 610 CE1 TYR A 42 8.841 -5.886 0.846 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.241 -4.943 -1.315 1.00 0.00 C ATOM 612 CZ TYR A 42 8.628 -5.884 -0.516 1.00 0.00 C ATOM 613 OH TYR A 42 7.797 -6.825 -1.079 1.00 0.00 O ATOM 0 H TYR A 42 10.556 -0.899 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 42 9.630 -2.051 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.945 -2.623 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.776 -3.408 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.837 -4.942 2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.553 -3.264 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.359 -6.625 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.071 -4.943 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 42 7.024 -6.971 -0.494 1.00 0.00 H new ATOM 623 N PHE A 43 11.118 -0.877 3.965 1.00 0.00 N ATOM 624 CA PHE A 43 11.928 -0.128 4.917 1.00 0.00 C ATOM 625 C PHE A 43 12.606 -1.066 5.911 1.00 0.00 C ATOM 626 O PHE A 43 12.008 -1.473 6.907 1.00 0.00 O ATOM 627 CB PHE A 43 11.064 0.888 5.667 1.00 0.00 C ATOM 628 CG PHE A 43 10.319 1.825 4.760 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.988 2.541 3.780 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.949 1.991 4.887 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.305 3.405 2.945 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.260 2.853 4.055 1.00 0.00 C ATOM 633 CZ PHE A 43 8.939 3.560 3.082 1.00 0.00 C ATOM 0 H PHE A 43 10.329 -1.372 4.380 1.00 0.00 H new ATOM 0 HA PHE A 43 12.700 0.403 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.348 0.354 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.699 1.470 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.056 2.422 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.413 1.440 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.838 3.958 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.192 2.974 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.403 4.233 2.429 1.00 0.00 H new ATOM 643 N LYS A 44 13.860 -1.408 5.632 1.00 0.00 N ATOM 644 CA LYS A 44 14.622 -2.298 6.499 1.00 0.00 C ATOM 645 C LYS A 44 14.916 -1.631 7.840 1.00 0.00 C ATOM 646 O LYS A 44 15.229 -2.303 8.823 1.00 0.00 O ATOM 647 CB LYS A 44 15.933 -2.706 5.823 1.00 0.00 C ATOM 648 CG LYS A 44 16.072 -4.205 5.622 1.00 0.00 C ATOM 649 CD LYS A 44 17.306 -4.545 4.803 1.00 0.00 C ATOM 650 CE LYS A 44 17.077 -4.296 3.320 1.00 0.00 C ATOM 651 NZ LYS A 44 16.684 -5.541 2.603 1.00 0.00 N ATOM 0 H LYS A 44 14.370 -1.081 4.811 1.00 0.00 H new ATOM 0 HA LYS A 44 14.021 -3.189 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.003 -2.210 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.769 -2.349 6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.130 -4.699 6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.184 -4.590 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.149 -3.946 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.572 -5.590 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.299 -3.543 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.986 -3.892 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.334 -5.703 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.730 -6.348 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.714 -5.442 2.242 1.00 0.00 H new ATOM 665 N SER A 45 14.813 -0.306 7.871 1.00 0.00 N ATOM 666 CA SER A 45 15.071 0.452 9.091 1.00 0.00 C ATOM 667 C SER A 45 13.912 0.311 10.072 1.00 0.00 C ATOM 668 O SER A 45 14.110 0.303 11.287 1.00 0.00 O ATOM 669 CB SER A 45 15.298 1.928 8.760 1.00 0.00 C ATOM 670 OG SER A 45 15.728 2.646 9.904 1.00 0.00 O ATOM 0 H SER A 45 14.553 0.265 7.067 1.00 0.00 H new ATOM 0 HA SER A 45 15.970 0.049 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.043 2.016 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.375 2.365 8.378 1.00 0.00 H new ATOM 0 HG SER A 45 15.038 3.291 10.164 1.00 0.00 H new ATOM 676 N PHE A 46 12.701 0.201 9.537 1.00 0.00 N ATOM 677 CA PHE A 46 11.509 0.062 10.365 1.00 0.00 C ATOM 678 C PHE A 46 10.738 -1.204 10.001 1.00 0.00 C ATOM 679 O PHE A 46 9.556 -1.338 10.315 1.00 0.00 O ATOM 680 CB PHE A 46 10.604 1.287 10.204 1.00 0.00 C ATOM 681 CG PHE A 46 11.310 2.588 10.452 1.00 0.00 C ATOM 682 CD1 PHE A 46 12.081 3.175 9.461 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.202 3.227 11.678 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.731 4.374 9.687 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.849 4.427 11.909 1.00 0.00 C ATOM 686 CZ PHE A 46 12.615 5.000 10.913 1.00 0.00 C ATOM 0 H PHE A 46 12.519 0.205 8.533 1.00 0.00 H new ATOM 0 HA PHE A 46 11.827 -0.013 11.405 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.190 1.293 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.764 1.201 10.893 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.175 2.690 8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.606 2.782 12.461 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.329 4.821 8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.755 4.916 12.868 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.123 5.936 11.092 1.00 0.00 H new ATOM 696 N LYS A 47 11.417 -2.131 9.334 1.00 0.00 N ATOM 697 CA LYS A 47 10.800 -3.388 8.927 1.00 0.00 C ATOM 698 C LYS A 47 9.339 -3.177 8.543 1.00 0.00 C ATOM 699 O LYS A 47 8.454 -3.888 9.018 1.00 0.00 O ATOM 700 CB LYS A 47 10.899 -4.418 10.054 1.00 0.00 C ATOM 701 CG LYS A 47 12.170 -5.248 10.009 1.00 0.00 C ATOM 702 CD LYS A 47 12.203 -6.150 8.787 1.00 0.00 C ATOM 703 CE LYS A 47 13.372 -7.121 8.842 1.00 0.00 C ATOM 704 NZ LYS A 47 13.190 -8.149 9.905 1.00 0.00 N ATOM 0 H LYS A 47 12.396 -2.035 9.064 1.00 0.00 H new ATOM 0 HA LYS A 47 11.337 -3.761 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.846 -3.902 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.038 -5.084 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.037 -4.587 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.242 -5.854 10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.269 -6.707 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.277 -5.541 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.481 -7.613 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.294 -6.569 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.872 -8.921 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.348 -7.716 10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.223 -8.529 9.859 1.00 0.00 H new ATOM 718 N ARG A 48 9.094 -2.197 7.680 1.00 0.00 N ATOM 719 CA ARG A 48 7.740 -1.893 7.232 1.00 0.00 C ATOM 720 C ARG A 48 7.650 -1.927 5.710 1.00 0.00 C ATOM 721 O ARG A 48 8.651 -1.753 5.014 1.00 0.00 O ATOM 722 CB ARG A 48 7.305 -0.520 7.749 1.00 0.00 C ATOM 723 CG ARG A 48 6.470 -0.584 9.018 1.00 0.00 C ATOM 724 CD ARG A 48 6.086 0.806 9.502 1.00 0.00 C ATOM 725 NE ARG A 48 6.801 1.178 10.720 1.00 0.00 N ATOM 726 CZ ARG A 48 6.531 0.668 11.917 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.567 -0.232 12.055 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.226 1.056 12.977 1.00 0.00 N ATOM 0 H ARG A 48 9.816 -1.599 7.277 1.00 0.00 H new ATOM 0 HA ARG A 48 7.072 -2.654 7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.192 0.086 7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.732 -0.013 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.569 -1.168 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.030 -1.100 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.299 1.534 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.012 0.842 9.687 1.00 0.00 H new ATOM 0 HE ARG A 48 7.549 1.868 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.031 -0.534 11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.361 -0.622 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.969 1.747 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.017 0.664 13.895 1.00 0.00 H new ATOM 742 N VAL A 49 6.444 -2.152 5.198 1.00 0.00 N ATOM 743 CA VAL A 49 6.223 -2.208 3.758 1.00 0.00 C ATOM 744 C VAL A 49 5.090 -1.277 3.340 1.00 0.00 C ATOM 745 O VAL A 49 3.924 -1.522 3.653 1.00 0.00 O ATOM 746 CB VAL A 49 5.894 -3.639 3.296 1.00 0.00 C ATOM 747 CG1 VAL A 49 5.797 -3.702 1.780 1.00 0.00 C ATOM 748 CG2 VAL A 49 6.936 -4.619 3.813 1.00 0.00 C ATOM 0 H VAL A 49 5.605 -2.298 5.759 1.00 0.00 H new ATOM 0 HA VAL A 49 7.149 -1.885 3.282 1.00 0.00 H new ATOM 0 HB VAL A 49 4.926 -3.922 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.564 -4.721 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.010 -3.031 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.748 -3.399 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.687 -5.626 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.918 -4.341 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.950 -4.594 4.903 1.00 0.00 H new ATOM 758 N ARG A 50 5.439 -0.210 2.630 1.00 0.00 N ATOM 759 CA ARG A 50 4.451 0.758 2.169 1.00 0.00 C ATOM 760 C ARG A 50 3.968 0.413 0.763 1.00 0.00 C ATOM 761 O ARG A 50 4.710 0.548 -0.210 1.00 0.00 O ATOM 762 CB ARG A 50 5.043 2.169 2.184 1.00 0.00 C ATOM 763 CG ARG A 50 4.139 3.202 2.836 1.00 0.00 C ATOM 764 CD ARG A 50 3.590 4.186 1.814 1.00 0.00 C ATOM 765 NE ARG A 50 2.922 5.319 2.449 1.00 0.00 N ATOM 766 CZ ARG A 50 3.569 6.320 3.035 1.00 0.00 C ATOM 767 NH1 ARG A 50 4.895 6.329 3.066 1.00 0.00 N ATOM 768 NH2 ARG A 50 2.890 7.315 3.591 1.00 0.00 N ATOM 0 H ARG A 50 6.399 0.006 2.361 1.00 0.00 H new ATOM 0 HA ARG A 50 3.599 0.721 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.996 2.148 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.252 2.477 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.313 2.699 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.696 3.743 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.404 4.550 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.888 3.673 1.157 1.00 0.00 H new ATOM 0 HE ARG A 50 1.902 5.343 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.420 5.566 2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.389 7.099 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.870 7.312 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.388 8.083 4.041 1.00 0.00 H new ATOM 782 N ILE A 51 2.719 -0.032 0.666 1.00 0.00 N ATOM 783 CA ILE A 51 2.137 -0.395 -0.620 1.00 0.00 C ATOM 784 C ILE A 51 1.096 0.628 -1.061 1.00 0.00 C ATOM 785 O ILE A 51 -0.012 0.671 -0.528 1.00 0.00 O ATOM 786 CB ILE A 51 1.481 -1.787 -0.568 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.511 -2.846 -0.169 1.00 0.00 C ATOM 788 CG2 ILE A 51 0.855 -2.130 -1.912 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.010 -3.812 0.881 1.00 0.00 C ATOM 0 H ILE A 51 2.092 -0.150 1.462 1.00 0.00 H new ATOM 0 HA ILE A 51 2.954 -0.413 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 51 0.692 -1.772 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.805 -3.407 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.406 -2.348 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.396 -3.117 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.095 -1.389 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.626 -2.130 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.793 -4.534 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.743 -3.262 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.133 -4.337 0.503 1.00 0.00 H new ATOM 801 N ASN A 52 1.460 1.451 -2.039 1.00 0.00 N ATOM 802 CA ASN A 52 0.557 2.475 -2.553 1.00 0.00 C ATOM 803 C ASN A 52 -0.228 1.954 -3.753 1.00 0.00 C ATOM 804 O ASN A 52 0.353 1.525 -4.750 1.00 0.00 O ATOM 805 CB ASN A 52 1.342 3.727 -2.947 1.00 0.00 C ATOM 806 CG ASN A 52 0.639 5.005 -2.533 1.00 0.00 C ATOM 807 OD1 ASN A 52 -0.332 5.423 -3.162 1.00 0.00 O ATOM 808 ND2 ASN A 52 1.129 5.632 -1.470 1.00 0.00 N ATOM 0 H ASN A 52 2.374 1.429 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.149 2.732 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.329 3.693 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.494 3.732 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.698 6.497 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.937 5.248 -0.979 1.00 0.00 H new ATOM 815 N PHE A 53 -1.552 1.996 -3.651 1.00 0.00 N ATOM 816 CA PHE A 53 -2.418 1.528 -4.728 1.00 0.00 C ATOM 817 C PHE A 53 -2.863 2.690 -5.610 1.00 0.00 C ATOM 818 O PHE A 53 -2.657 3.856 -5.272 1.00 0.00 O ATOM 819 CB PHE A 53 -3.641 0.811 -4.153 1.00 0.00 C ATOM 820 CG PHE A 53 -3.293 -0.340 -3.253 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.701 -0.118 -2.019 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.558 -1.644 -3.640 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.379 -1.176 -1.190 1.00 0.00 C ATOM 824 CE2 PHE A 53 -3.238 -2.706 -2.814 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.650 -2.471 -1.588 1.00 0.00 C ATOM 0 H PHE A 53 -2.049 2.349 -2.834 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.850 0.827 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.244 1.528 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.258 0.446 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.489 0.893 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.020 -1.833 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.916 -0.991 -0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.448 -3.718 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.402 -3.299 -0.940 1.00 0.00 H new ATOM 835 N SER A 54 -3.476 2.364 -6.743 1.00 0.00 N ATOM 836 CA SER A 54 -3.948 3.379 -7.678 1.00 0.00 C ATOM 837 C SER A 54 -5.330 3.884 -7.278 1.00 0.00 C ATOM 838 O SER A 54 -5.748 4.968 -7.684 1.00 0.00 O ATOM 839 CB SER A 54 -3.989 2.814 -9.099 1.00 0.00 C ATOM 840 OG SER A 54 -4.908 1.739 -9.193 1.00 0.00 O ATOM 0 H SER A 54 -3.658 1.404 -7.036 1.00 0.00 H new ATOM 0 HA SER A 54 -3.252 4.217 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.272 3.601 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.995 2.473 -9.387 1.00 0.00 H new ATOM 0 HG SER A 54 -4.640 1.143 -9.923 1.00 0.00 H new ATOM 846 N ASN A 55 -6.037 3.089 -6.480 1.00 0.00 N ATOM 847 CA ASN A 55 -7.373 3.455 -6.025 1.00 0.00 C ATOM 848 C ASN A 55 -7.632 2.929 -4.617 1.00 0.00 C ATOM 849 O ASN A 55 -7.102 1.897 -4.206 1.00 0.00 O ATOM 850 CB ASN A 55 -8.429 2.909 -6.988 1.00 0.00 C ATOM 851 CG ASN A 55 -8.345 1.402 -7.143 1.00 0.00 C ATOM 852 OD1 ASN A 55 -8.415 0.661 -6.162 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.195 0.942 -8.379 1.00 0.00 N ATOM 0 H ASN A 55 -5.706 2.188 -6.136 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.437 4.543 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.421 3.180 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.305 3.379 -7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.133 -0.062 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.142 1.593 -9.162 1.00 0.00 H new ATOM 860 N PRO A 56 -8.465 3.656 -3.857 1.00 0.00 N ATOM 861 CA PRO A 56 -8.813 3.282 -2.484 1.00 0.00 C ATOM 862 C PRO A 56 -9.690 2.035 -2.428 1.00 0.00 C ATOM 863 O PRO A 56 -9.995 1.526 -1.348 1.00 0.00 O ATOM 864 CB PRO A 56 -9.583 4.500 -1.969 1.00 0.00 C ATOM 865 CG PRO A 56 -10.140 5.142 -3.193 1.00 0.00 C ATOM 866 CD PRO A 56 -9.133 4.898 -4.283 1.00 0.00 C ATOM 0 HA PRO A 56 -7.931 3.037 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.375 4.205 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.928 5.182 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.108 4.713 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.296 6.210 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.613 4.784 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.427 5.724 -4.371 1.00 0.00 H new ATOM 874 N LEU A 57 -10.093 1.548 -3.596 1.00 0.00 N ATOM 875 CA LEU A 57 -10.935 0.359 -3.679 1.00 0.00 C ATOM 876 C LEU A 57 -10.138 -0.898 -3.346 1.00 0.00 C ATOM 877 O LEU A 57 -10.370 -1.537 -2.319 1.00 0.00 O ATOM 878 CB LEU A 57 -11.541 0.236 -5.078 1.00 0.00 C ATOM 879 CG LEU A 57 -12.237 1.485 -5.621 1.00 0.00 C ATOM 880 CD1 LEU A 57 -11.901 1.687 -7.090 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.742 1.384 -5.425 1.00 0.00 C ATOM 0 H LEU A 57 -9.851 1.957 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.738 0.462 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.749 -0.044 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.261 -0.582 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.876 2.350 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.405 2.580 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.823 1.805 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.233 0.821 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.221 2.281 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.120 0.510 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.965 1.289 -4.362 1.00 0.00 H new ATOM 893 N SER A 58 -9.197 -1.244 -4.217 1.00 0.00 N ATOM 894 CA SER A 58 -8.366 -2.425 -4.016 1.00 0.00 C ATOM 895 C SER A 58 -7.695 -2.391 -2.646 1.00 0.00 C ATOM 896 O SER A 58 -7.641 -3.400 -1.944 1.00 0.00 O ATOM 897 CB SER A 58 -7.304 -2.521 -5.114 1.00 0.00 C ATOM 898 OG SER A 58 -7.267 -3.821 -5.676 1.00 0.00 O ATOM 0 H SER A 58 -8.990 -0.723 -5.069 1.00 0.00 H new ATOM 0 HA SER A 58 -9.009 -3.303 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.516 -1.790 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.326 -2.272 -4.701 1.00 0.00 H new ATOM 0 HG SER A 58 -7.144 -3.755 -6.646 1.00 0.00 H new ATOM 904 N ALA A 59 -7.186 -1.222 -2.273 1.00 0.00 N ATOM 905 CA ALA A 59 -6.521 -1.054 -0.987 1.00 0.00 C ATOM 906 C ALA A 59 -7.237 -1.837 0.108 1.00 0.00 C ATOM 907 O ALA A 59 -6.618 -2.274 1.078 1.00 0.00 O ATOM 908 CB ALA A 59 -6.445 0.421 -0.621 1.00 0.00 C ATOM 0 H ALA A 59 -7.221 -0.377 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.508 -1.448 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.946 0.532 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.882 0.957 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.452 0.832 -0.557 1.00 0.00 H new ATOM 914 N ALA A 60 -8.545 -2.010 -0.054 1.00 0.00 N ATOM 915 CA ALA A 60 -9.345 -2.741 0.920 1.00 0.00 C ATOM 916 C ALA A 60 -9.200 -4.247 0.729 1.00 0.00 C ATOM 917 O ALA A 60 -8.899 -4.976 1.676 1.00 0.00 O ATOM 918 CB ALA A 60 -10.807 -2.333 0.817 1.00 0.00 C ATOM 0 H ALA A 60 -9.073 -1.654 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.979 -2.489 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.392 -2.887 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.901 -1.264 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.177 -2.554 -0.184 1.00 0.00 H new ATOM 924 N ASP A 61 -9.418 -4.707 -0.497 1.00 0.00 N ATOM 925 CA ASP A 61 -9.311 -6.127 -0.812 1.00 0.00 C ATOM 926 C ASP A 61 -7.936 -6.667 -0.429 1.00 0.00 C ATOM 927 O ASP A 61 -7.825 -7.678 0.262 1.00 0.00 O ATOM 928 CB ASP A 61 -9.569 -6.362 -2.301 1.00 0.00 C ATOM 929 CG ASP A 61 -10.816 -7.189 -2.549 1.00 0.00 C ATOM 930 OD1 ASP A 61 -11.924 -6.696 -2.253 1.00 0.00 O ATOM 931 OD2 ASP A 61 -10.682 -8.329 -3.040 1.00 0.00 O ATOM 0 H ASP A 61 -9.670 -4.117 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.065 -6.660 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.667 -5.401 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.709 -6.866 -2.741 1.00 0.00 H new ATOM 936 N ALA A 62 -6.891 -5.984 -0.886 1.00 0.00 N ATOM 937 CA ALA A 62 -5.523 -6.394 -0.592 1.00 0.00 C ATOM 938 C ALA A 62 -5.395 -6.889 0.845 1.00 0.00 C ATOM 939 O ALA A 62 -4.624 -7.805 1.130 1.00 0.00 O ATOM 940 CB ALA A 62 -4.561 -5.243 -0.844 1.00 0.00 C ATOM 0 H ALA A 62 -6.966 -5.145 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.266 -7.219 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.544 -5.564 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.624 -4.938 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.825 -4.401 -0.204 1.00 0.00 H new ATOM 946 N ARG A 63 -6.156 -6.276 1.747 1.00 0.00 N ATOM 947 CA ARG A 63 -6.126 -6.652 3.155 1.00 0.00 C ATOM 948 C ARG A 63 -6.959 -7.906 3.399 1.00 0.00 C ATOM 949 O ARG A 63 -6.452 -8.916 3.890 1.00 0.00 O ATOM 950 CB ARG A 63 -6.645 -5.504 4.022 1.00 0.00 C ATOM 951 CG ARG A 63 -6.537 -5.773 5.515 1.00 0.00 C ATOM 952 CD ARG A 63 -6.915 -4.545 6.330 1.00 0.00 C ATOM 953 NE ARG A 63 -7.754 -4.886 7.475 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.003 -5.324 7.367 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.555 -5.473 6.171 1.00 0.00 N ATOM 956 NH2 ARG A 63 -9.702 -5.612 8.457 1.00 0.00 N ATOM 0 H ARG A 63 -6.801 -5.517 1.527 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.092 -6.865 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.088 -4.598 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.688 -5.312 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.188 -6.605 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.518 -6.074 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.010 -4.049 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.442 -3.835 5.693 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.359 -4.782 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.020 -5.251 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.514 -5.810 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.280 -5.497 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.661 -5.948 8.374 1.00 0.00 H new ATOM 970 N LEU A 64 -8.241 -7.836 3.055 1.00 0.00 N ATOM 971 CA LEU A 64 -9.145 -8.965 3.238 1.00 0.00 C ATOM 972 C LEU A 64 -8.511 -10.258 2.735 1.00 0.00 C ATOM 973 O LEU A 64 -8.749 -11.333 3.286 1.00 0.00 O ATOM 974 CB LEU A 64 -10.464 -8.712 2.505 1.00 0.00 C ATOM 975 CG LEU A 64 -10.683 -9.515 1.222 1.00 0.00 C ATOM 976 CD1 LEU A 64 -11.096 -10.942 1.549 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.729 -8.842 0.344 1.00 0.00 C ATOM 0 H LEU A 64 -8.677 -7.009 2.648 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.343 -9.070 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.284 -8.928 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.523 -7.651 2.261 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.743 -9.548 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.247 -11.498 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.313 -11.422 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.024 -10.930 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.872 -9.427 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.672 -8.777 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.392 -7.839 0.081 1.00 0.00 H new ATOM 989 N ARG A 65 -7.700 -10.146 1.688 1.00 0.00 N ATOM 990 CA ARG A 65 -7.030 -11.306 1.112 1.00 0.00 C ATOM 991 C ARG A 65 -5.754 -11.635 1.882 1.00 0.00 C ATOM 992 O ARG A 65 -5.399 -12.803 2.046 1.00 0.00 O ATOM 993 CB ARG A 65 -6.698 -11.050 -0.360 1.00 0.00 C ATOM 994 CG ARG A 65 -7.896 -11.182 -1.286 1.00 0.00 C ATOM 995 CD ARG A 65 -7.507 -11.820 -2.610 1.00 0.00 C ATOM 996 NE ARG A 65 -8.300 -13.014 -2.895 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.277 -14.108 -2.142 1.00 0.00 C ATOM 998 NH1 ARG A 65 -7.507 -14.159 -1.064 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.025 -15.154 -2.466 1.00 0.00 N ATOM 0 H ARG A 65 -7.491 -9.264 1.221 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.707 -12.158 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.280 -10.048 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.926 -11.751 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.666 -11.783 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.327 -10.198 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.639 -11.096 -3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.450 -12.083 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.904 -13.007 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.930 -13.357 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.491 -15.000 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.619 -15.119 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.006 -15.993 -1.887 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.069 -10.599 2.353 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.833 -10.777 3.106 1.00 0.00 C ATOM 1015 C LEU A 66 -4.071 -10.573 4.599 1.00 0.00 C ATOM 1016 O LEU A 66 -5.125 -10.930 5.126 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.765 -9.802 2.610 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.621 -9.678 1.093 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -1.951 -8.364 0.725 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -1.834 -10.854 0.534 1.00 0.00 C ATOM 0 H LEU A 66 -5.349 -9.626 2.227 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.485 -11.798 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.987 -8.815 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.803 -10.107 3.022 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.617 -9.690 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.857 -8.294 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.554 -7.533 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.961 -8.321 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.741 -10.749 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.841 -10.874 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.355 -11.783 0.765 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.084 -9.995 5.276 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.187 -9.739 6.709 1.00 0.00 C ATOM 1034 C HIS A 67 -2.759 -10.965 7.511 1.00 0.00 C ATOM 1035 O HIS A 67 -1.871 -11.711 7.099 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.618 -9.348 7.077 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.703 -8.430 8.258 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.674 -7.595 8.637 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.704 -8.219 9.145 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -4.037 -6.909 9.707 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.265 -7.270 10.035 1.00 0.00 N ATOM 0 H HIS A 67 -2.204 -9.695 4.856 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.519 -8.914 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.087 -8.867 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.190 -10.252 7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.668 -8.706 9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.433 -6.178 10.225 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.800 -6.903 10.822 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.398 -11.167 8.659 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.085 -12.302 9.519 1.00 0.00 C ATOM 1051 C LYS A 68 -2.691 -13.521 8.690 1.00 0.00 C ATOM 1052 O LYS A 68 -1.861 -14.328 9.109 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.285 -12.641 10.408 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.675 -11.520 11.356 1.00 0.00 C ATOM 1055 CD LYS A 68 -6.155 -11.194 11.253 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.997 -12.160 12.073 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.486 -11.538 13.333 1.00 0.00 N ATOM 0 H LYS A 68 -4.136 -10.559 9.015 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.240 -12.026 10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.139 -12.884 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.055 -13.534 10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.435 -11.808 12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.089 -10.630 11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.329 -10.175 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.466 -11.235 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.848 -12.494 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.407 -13.045 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.055 -12.228 13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.674 -11.242 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.071 -10.708 13.106 1.00 0.00 H new ATOM 1071 N THR A 69 -3.293 -13.649 7.512 1.00 0.00 N ATOM 1072 CA THR A 69 -3.006 -14.768 6.625 1.00 0.00 C ATOM 1073 C THR A 69 -1.552 -15.210 6.750 1.00 0.00 C ATOM 1074 O THR A 69 -0.634 -14.424 6.521 1.00 0.00 O ATOM 1075 CB THR A 69 -3.297 -14.410 5.155 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.484 -13.303 4.750 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.766 -14.063 4.964 1.00 0.00 C ATOM 0 H THR A 69 -3.983 -12.991 7.150 1.00 0.00 H new ATOM 0 HA THR A 69 -3.659 -15.586 6.928 1.00 0.00 H new ATOM 0 HB THR A 69 -3.061 -15.278 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.281 -12.744 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.948 -13.814 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.381 -14.917 5.246 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.023 -13.209 5.591 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.351 -16.473 7.113 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.009 -17.018 7.268 1.00 0.00 C ATOM 1087 C GLU A 70 0.733 -17.028 5.934 1.00 0.00 C ATOM 1088 O GLU A 70 0.634 -17.983 5.163 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.072 -18.436 7.839 1.00 0.00 C ATOM 1090 CG GLU A 70 0.417 -18.538 9.274 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.044 -19.810 9.958 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -1.204 -20.216 9.738 1.00 0.00 O ATOM 1093 OE2 GLU A 70 0.757 -20.399 10.716 1.00 0.00 O ATOM 0 H GLU A 70 -2.101 -17.137 7.305 1.00 0.00 H new ATOM 0 HA GLU A 70 0.536 -16.378 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.101 -18.793 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.526 -19.098 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.506 -18.497 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.059 -17.676 9.838 1.00 0.00 H new ATOM 1100 N PHE A 71 1.474 -15.957 5.667 1.00 0.00 N ATOM 1101 CA PHE A 71 2.231 -15.840 4.426 1.00 0.00 C ATOM 1102 C PHE A 71 3.626 -16.438 4.582 1.00 0.00 C ATOM 1103 O PHE A 71 4.388 -16.043 5.465 1.00 0.00 O ATOM 1104 CB PHE A 71 2.335 -14.373 4.004 1.00 0.00 C ATOM 1105 CG PHE A 71 3.465 -14.104 3.053 1.00 0.00 C ATOM 1106 CD1 PHE A 71 4.767 -14.000 3.514 1.00 0.00 C ATOM 1107 CD2 PHE A 71 3.226 -13.953 1.697 1.00 0.00 C ATOM 1108 CE1 PHE A 71 5.809 -13.750 2.640 1.00 0.00 C ATOM 1109 CE2 PHE A 71 4.263 -13.703 0.818 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.557 -13.602 1.291 1.00 0.00 C ATOM 0 H PHE A 71 1.566 -15.158 6.294 1.00 0.00 H new ATOM 0 HA PHE A 71 1.702 -16.396 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.398 -14.070 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.463 -13.755 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.971 -14.116 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.216 -14.032 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.820 -13.671 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.062 -13.587 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.370 -13.408 0.607 1.00 0.00 H new ATOM 1120 N LEU A 72 3.954 -17.392 3.718 1.00 0.00 N ATOM 1121 CA LEU A 72 5.258 -18.045 3.758 1.00 0.00 C ATOM 1122 C LEU A 72 5.525 -18.643 5.136 1.00 0.00 C ATOM 1123 O LEU A 72 6.674 -18.872 5.512 1.00 0.00 O ATOM 1124 CB LEU A 72 6.361 -17.048 3.399 1.00 0.00 C ATOM 1125 CG LEU A 72 6.810 -17.042 1.937 1.00 0.00 C ATOM 1126 CD1 LEU A 72 7.726 -18.222 1.655 1.00 0.00 C ATOM 1127 CD2 LEU A 72 5.605 -17.065 1.009 1.00 0.00 C ATOM 0 H LEU A 72 3.335 -17.731 2.981 1.00 0.00 H new ATOM 0 HA LEU A 72 5.255 -18.853 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.016 -16.047 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.229 -17.256 4.024 1.00 0.00 H new ATOM 0 HG LEU A 72 7.368 -16.124 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.035 -18.201 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.606 -18.161 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.194 -19.152 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.944 -17.060 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.019 -17.965 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.987 -16.186 1.193 1.00 0.00 H new ATOM 1139 N GLY A 73 4.455 -18.894 5.884 1.00 0.00 N ATOM 1140 CA GLY A 73 4.596 -19.464 7.211 1.00 0.00 C ATOM 1141 C GLY A 73 4.567 -18.411 8.301 1.00 0.00 C ATOM 1142 O GLY A 73 4.365 -18.726 9.474 1.00 0.00 O ATOM 0 H GLY A 73 3.494 -18.713 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.793 -20.181 7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.534 -20.016 7.268 1.00 0.00 H new ATOM 1146 N LYS A 74 4.772 -17.157 7.914 1.00 0.00 N ATOM 1147 CA LYS A 74 4.769 -16.052 8.867 1.00 0.00 C ATOM 1148 C LYS A 74 3.523 -15.191 8.697 1.00 0.00 C ATOM 1149 O LYS A 74 2.992 -15.061 7.595 1.00 0.00 O ATOM 1150 CB LYS A 74 6.024 -15.194 8.687 1.00 0.00 C ATOM 1151 CG LYS A 74 7.220 -15.691 9.481 1.00 0.00 C ATOM 1152 CD LYS A 74 7.138 -15.264 10.937 1.00 0.00 C ATOM 1153 CE LYS A 74 7.857 -16.248 11.848 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.327 -16.015 11.865 1.00 0.00 N ATOM 0 H LYS A 74 4.942 -16.880 6.947 1.00 0.00 H new ATOM 0 HA LYS A 74 4.764 -16.472 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.287 -15.167 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.800 -14.170 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.271 -16.778 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.138 -15.304 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.577 -14.273 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.093 -15.186 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.464 -16.160 12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.654 -17.266 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.781 -16.705 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.707 -16.124 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.522 -15.052 12.207 1.00 0.00 H new ATOM 1168 N GLU A 75 3.061 -14.603 9.797 1.00 0.00 N ATOM 1169 CA GLU A 75 1.876 -13.754 9.768 1.00 0.00 C ATOM 1170 C GLU A 75 2.242 -12.323 9.380 1.00 0.00 C ATOM 1171 O GLU A 75 3.149 -11.726 9.958 1.00 0.00 O ATOM 1172 CB GLU A 75 1.182 -13.761 11.132 1.00 0.00 C ATOM 1173 CG GLU A 75 0.249 -12.581 11.347 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.737 -12.816 12.474 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -0.339 -12.673 13.650 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.906 -13.142 12.182 1.00 0.00 O ATOM 0 H GLU A 75 3.489 -14.699 10.718 1.00 0.00 H new ATOM 0 HA GLU A 75 1.193 -14.153 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.614 -14.686 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.940 -13.762 11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.839 -11.691 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.298 -12.383 10.426 1.00 0.00 H new ATOM 1183 N MET A 76 1.530 -11.783 8.397 1.00 0.00 N ATOM 1184 CA MET A 76 1.778 -10.423 7.932 1.00 0.00 C ATOM 1185 C MET A 76 0.612 -9.505 8.287 1.00 0.00 C ATOM 1186 O MET A 76 -0.541 -9.799 7.971 1.00 0.00 O ATOM 1187 CB MET A 76 2.007 -10.413 6.419 1.00 0.00 C ATOM 1188 CG MET A 76 2.119 -9.016 5.831 1.00 0.00 C ATOM 1189 SD MET A 76 0.700 -8.578 4.809 1.00 0.00 S ATOM 1190 CE MET A 76 0.713 -9.916 3.619 1.00 0.00 C ATOM 0 H MET A 76 0.777 -12.266 7.907 1.00 0.00 H new ATOM 0 HA MET A 76 2.674 -10.053 8.431 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.918 -10.967 6.194 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.186 -10.939 5.932 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.217 -8.292 6.640 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.028 -8.950 5.232 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.324 -9.559 2.666 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.734 -10.272 3.483 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.089 -10.732 3.983 1.00 0.00 H new ATOM 1200 N LYS A 77 0.920 -8.394 8.946 1.00 0.00 N ATOM 1201 CA LYS A 77 -0.101 -7.432 9.344 1.00 0.00 C ATOM 1202 C LYS A 77 -0.212 -6.304 8.324 1.00 0.00 C ATOM 1203 O LYS A 77 0.684 -6.104 7.502 1.00 0.00 O ATOM 1204 CB LYS A 77 0.224 -6.854 10.724 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.672 -7.383 11.831 1.00 0.00 C ATOM 1206 CD LYS A 77 -0.614 -6.500 13.065 1.00 0.00 C ATOM 1207 CE LYS A 77 -0.882 -7.297 14.333 1.00 0.00 C ATOM 1208 NZ LYS A 77 0.359 -7.920 14.869 1.00 0.00 N ATOM 0 H LYS A 77 1.869 -8.137 9.216 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.057 -7.953 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.262 -7.081 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.136 -5.768 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.700 -7.441 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.368 -8.396 12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.367 -6.028 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.348 -5.699 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.315 -6.642 15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.618 -8.074 14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.134 -8.454 15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.759 -8.565 14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.052 -7.177 15.092 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.318 -5.569 8.380 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.546 -4.459 7.461 1.00 0.00 C ATOM 1224 C LEU A 78 -2.299 -3.326 8.152 1.00 0.00 C ATOM 1225 O LEU A 78 -3.324 -3.551 8.794 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.331 -4.937 6.238 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.520 -5.657 5.159 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.233 -6.923 4.712 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.271 -4.735 3.976 1.00 0.00 C ATOM 0 H LEU A 78 -2.070 -5.722 9.052 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.576 -4.082 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.121 -5.606 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.817 -4.074 5.783 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.556 -5.939 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.642 -7.422 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.358 -7.590 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.211 -6.666 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.693 -5.264 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.225 -4.422 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.716 -3.858 4.309 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.785 -2.110 8.011 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.408 -0.942 8.622 1.00 0.00 C ATOM 1243 C TYR A 79 -2.745 0.109 7.569 1.00 0.00 C ATOM 1244 O TYR A 79 -2.029 0.267 6.580 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.484 -0.339 9.682 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.312 -1.213 10.903 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.625 -2.419 10.827 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -1.835 -0.834 12.133 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.467 -3.222 11.940 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -1.680 -1.629 13.251 1.00 0.00 C ATOM 1251 CZ TYR A 79 -0.995 -2.823 13.150 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.839 -3.618 14.262 1.00 0.00 O ATOM 0 H TYR A 79 -0.939 -1.907 7.479 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.334 -1.264 9.098 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.506 -0.154 9.237 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.881 0.628 9.991 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.208 -2.734 9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.372 0.099 12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.067 -4.157 11.863 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.093 -1.318 14.200 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.269 -3.191 15.032 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.843 0.826 7.788 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.276 1.862 6.858 1.00 0.00 C ATOM 1264 C PHE A 80 -3.370 3.086 6.945 1.00 0.00 C ATOM 1265 O PHE A 80 -3.423 3.844 7.914 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.725 2.264 7.149 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.732 1.515 6.324 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.675 1.547 4.940 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.736 0.778 6.933 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.600 0.858 4.178 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.663 0.088 6.176 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.596 0.128 4.796 1.00 0.00 C ATOM 0 H PHE A 80 -4.448 0.708 8.601 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.213 1.457 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.935 2.096 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.841 3.332 6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.899 2.117 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.794 0.743 8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.544 0.891 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.440 -0.483 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.321 -0.410 4.203 1.00 0.00 H new