USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 279 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 4 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0294 (180deg=-0.226) USER MOD Single : A 9 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.223 K(o=-0.22,f=-5.1!) USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= 0.379 (180deg=-0.0262) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= -1.6! (180deg=-3.33!) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0989) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.092) USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= -0.0334 (180deg=-0.242) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N GLY A 2 -2.155 -5.595 -4.909 1.00 0.00 N ATOM 20 CA GLY A 2 -0.986 -4.834 -4.522 1.00 0.00 C ATOM 21 C GLY A 2 -0.642 -3.794 -5.567 1.00 0.00 C ATOM 22 O GLY A 2 -1.140 -3.855 -6.693 1.00 0.00 O ATOM 0 HA2 GLY A 2 -1.167 -4.346 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.140 -5.507 -4.382 1.00 0.00 H new ATOM 26 N ILE A 3 0.199 -2.838 -5.207 1.00 0.00 N ATOM 27 CA ILE A 3 0.582 -1.785 -6.130 1.00 0.00 C ATOM 28 C ILE A 3 2.068 -1.867 -6.452 1.00 0.00 C ATOM 29 O ILE A 3 2.841 -2.504 -5.737 1.00 0.00 O ATOM 30 CB ILE A 3 0.238 -0.383 -5.578 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.813 -0.196 -4.172 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.269 -0.174 -5.573 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.504 1.153 -3.556 1.00 0.00 C ATOM 0 H ILE A 3 0.628 -2.770 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 3 0.009 -1.935 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 3 0.691 0.364 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.421 -0.979 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.894 -0.327 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.498 0.817 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.652 -0.260 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.739 -0.930 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.945 1.208 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.920 1.943 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.576 1.280 -3.482 1.00 0.00 H new ATOM 45 N ASN A 4 2.452 -1.208 -7.535 1.00 0.00 N ATOM 46 CA ASN A 4 3.818 -1.270 -8.062 1.00 0.00 C ATOM 47 C ASN A 4 4.791 -0.446 -7.228 1.00 0.00 C ATOM 48 O ASN A 4 5.928 -0.212 -7.636 1.00 0.00 O ATOM 49 CB ASN A 4 3.853 -0.766 -9.507 1.00 0.00 C ATOM 50 CG ASN A 4 3.366 0.668 -9.633 1.00 0.00 C ATOM 51 OD1 ASN A 4 2.186 0.914 -9.881 1.00 0.00 O ATOM 52 ND2 ASN A 4 4.262 1.627 -9.437 1.00 0.00 N ATOM 0 H ASN A 4 1.828 -0.612 -8.079 1.00 0.00 H new ATOM 0 HA ASN A 4 4.128 -2.314 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.872 -0.836 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.235 -1.413 -10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.981 2.606 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.232 1.385 -9.233 1.00 0.00 H new ATOM 59 N VAL A 5 4.343 -0.008 -6.070 1.00 0.00 N ATOM 60 CA VAL A 5 5.162 0.814 -5.201 1.00 0.00 C ATOM 61 C VAL A 5 5.925 -0.070 -4.227 1.00 0.00 C ATOM 62 O VAL A 5 5.389 -1.065 -3.739 1.00 0.00 O ATOM 63 CB VAL A 5 4.296 1.818 -4.415 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.164 2.800 -3.645 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.348 2.553 -5.347 1.00 0.00 C ATOM 0 H VAL A 5 3.411 -0.208 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 5 5.864 1.372 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 5 3.701 1.258 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.528 3.497 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.793 2.255 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.794 3.353 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.746 3.257 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.923 3.096 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.694 1.835 -5.841 1.00 0.00 H new ATOM 75 N LYS A 6 7.174 0.272 -3.963 1.00 0.00 N ATOM 76 CA LYS A 6 7.974 -0.480 -3.008 1.00 0.00 C ATOM 77 C LYS A 6 7.739 0.047 -1.598 1.00 0.00 C ATOM 78 O LYS A 6 7.761 1.256 -1.362 1.00 0.00 O ATOM 79 CB LYS A 6 9.459 -0.416 -3.373 1.00 0.00 C ATOM 80 CG LYS A 6 9.999 0.996 -3.521 1.00 0.00 C ATOM 81 CD LYS A 6 11.465 0.996 -3.915 1.00 0.00 C ATOM 82 CE LYS A 6 11.695 0.267 -5.230 1.00 0.00 C ATOM 83 NZ LYS A 6 13.092 0.420 -5.710 1.00 0.00 N ATOM 0 H LYS A 6 7.656 1.061 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 6 7.666 -1.525 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.034 -0.935 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.616 -0.954 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.420 1.531 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.874 1.534 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.818 2.023 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.053 0.522 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.469 -0.792 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.008 0.652 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.208 -0.091 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.301 1.428 -5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.747 0.030 -5.002 1.00 0.00 H new ATOM 97 N CYS A 7 7.487 -0.859 -0.667 1.00 0.00 N ATOM 98 CA CYS A 7 7.184 -0.471 0.701 1.00 0.00 C ATOM 99 C CYS A 7 8.452 -0.405 1.541 1.00 0.00 C ATOM 100 O CYS A 7 9.126 -1.420 1.733 1.00 0.00 O ATOM 101 CB CYS A 7 6.209 -1.454 1.345 1.00 0.00 C ATOM 102 SG CYS A 7 5.644 -0.935 2.996 1.00 0.00 S ATOM 0 H CYS A 7 7.486 -1.865 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 7 6.725 0.517 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.343 -1.574 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.687 -2.430 1.423 1.00 0.00 H new ATOM 107 N LYS A 8 8.805 0.782 2.017 1.00 0.00 N ATOM 108 CA LYS A 8 9.888 0.903 2.976 1.00 0.00 C ATOM 109 C LYS A 8 9.323 0.830 4.386 1.00 0.00 C ATOM 110 O LYS A 8 9.941 0.266 5.289 1.00 0.00 O ATOM 111 CB LYS A 8 10.661 2.206 2.767 1.00 0.00 C ATOM 112 CG LYS A 8 11.341 2.291 1.409 1.00 0.00 C ATOM 113 CD LYS A 8 12.100 3.598 1.224 1.00 0.00 C ATOM 114 CE LYS A 8 13.261 3.733 2.198 1.00 0.00 C ATOM 115 NZ LYS A 8 14.251 2.629 2.052 1.00 0.00 N ATOM 0 H LYS A 8 8.362 1.663 1.757 1.00 0.00 H new ATOM 0 HA LYS A 8 10.587 0.080 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.977 3.048 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.414 2.303 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.030 1.454 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.592 2.194 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.477 3.656 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.416 4.436 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.759 4.689 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.878 3.742 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.121 2.872 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.852 1.751 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.473 2.493 1.045 1.00 0.00 H new ATOM 129 N HIS A 9 8.133 1.399 4.563 1.00 0.00 N ATOM 130 CA HIS A 9 7.466 1.431 5.864 1.00 0.00 C ATOM 131 C HIS A 9 5.959 1.307 5.668 1.00 0.00 C ATOM 132 O HIS A 9 5.447 1.721 4.628 1.00 0.00 O ATOM 133 CB HIS A 9 7.786 2.734 6.614 1.00 0.00 C ATOM 134 CG HIS A 9 9.247 3.048 6.681 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.865 3.903 5.797 1.00 0.00 N ATOM 136 CD2 HIS A 9 10.224 2.578 7.491 1.00 0.00 C ATOM 137 CE1 HIS A 9 11.155 3.941 6.051 1.00 0.00 C ATOM 138 NE2 HIS A 9 11.400 3.148 7.076 1.00 0.00 N ATOM 0 H HIS A 9 7.606 1.849 3.814 1.00 0.00 H new ATOM 0 HA HIS A 9 7.830 0.594 6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.268 3.560 6.126 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.392 2.665 7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.101 1.885 8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.888 4.522 5.512 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.317 2.985 7.493 1.00 0.00 H new ATOM 147 N SER A 10 5.248 0.758 6.645 1.00 0.00 N ATOM 148 CA SER A 10 3.810 0.535 6.506 1.00 0.00 C ATOM 149 C SER A 10 3.059 1.852 6.313 1.00 0.00 C ATOM 150 O SER A 10 2.184 1.960 5.449 1.00 0.00 O ATOM 151 CB SER A 10 3.274 -0.224 7.721 1.00 0.00 C ATOM 152 OG SER A 10 3.714 0.366 8.934 1.00 0.00 O ATOM 0 H SER A 10 5.639 0.460 7.539 1.00 0.00 H new ATOM 0 HA SER A 10 3.644 -0.070 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.184 -0.235 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.604 -1.262 7.678 1.00 0.00 H new ATOM 0 HG SER A 10 3.354 -0.139 9.693 1.00 0.00 H new ATOM 158 N GLY A 11 3.433 2.863 7.093 1.00 0.00 N ATOM 159 CA GLY A 11 2.819 4.174 6.966 1.00 0.00 C ATOM 160 C GLY A 11 3.084 4.797 5.610 1.00 0.00 C ATOM 161 O GLY A 11 2.318 5.637 5.136 1.00 0.00 O ATOM 0 H GLY A 11 4.153 2.797 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.744 4.087 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.202 4.831 7.747 1.00 0.00 H new ATOM 165 N GLN A 12 4.170 4.372 4.980 1.00 0.00 N ATOM 166 CA GLN A 12 4.523 4.843 3.651 1.00 0.00 C ATOM 167 C GLN A 12 3.669 4.144 2.601 1.00 0.00 C ATOM 168 O GLN A 12 3.381 4.702 1.549 1.00 0.00 O ATOM 169 CB GLN A 12 6.007 4.588 3.376 1.00 0.00 C ATOM 170 CG GLN A 12 6.446 4.989 1.983 1.00 0.00 C ATOM 171 CD GLN A 12 7.923 4.771 1.763 1.00 0.00 C ATOM 172 OE1 GLN A 12 8.347 3.691 1.355 1.00 0.00 O ATOM 173 NE2 GLN A 12 8.717 5.793 2.034 1.00 0.00 N ATOM 0 H GLN A 12 4.826 3.697 5.373 1.00 0.00 H new ATOM 0 HA GLN A 12 4.335 5.916 3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.602 5.136 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.218 3.529 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.883 4.415 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.207 6.040 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.321 6.671 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.725 5.703 1.906 1.00 0.00 H new ATOM 182 N CYS A 13 3.240 2.930 2.914 1.00 0.00 N ATOM 183 CA CYS A 13 2.456 2.125 1.989 1.00 0.00 C ATOM 184 C CYS A 13 1.043 2.691 1.897 1.00 0.00 C ATOM 185 O CYS A 13 0.364 2.564 0.883 1.00 0.00 O ATOM 186 CB CYS A 13 2.435 0.667 2.469 1.00 0.00 C ATOM 187 SG CYS A 13 1.666 -0.523 1.319 1.00 0.00 S ATOM 0 H CYS A 13 3.424 2.478 3.810 1.00 0.00 H new ATOM 0 HA CYS A 13 2.905 2.154 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.460 0.350 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.904 0.623 3.420 1.00 0.00 H new ATOM 192 N LEU A 14 0.629 3.370 2.955 1.00 0.00 N ATOM 193 CA LEU A 14 -0.699 3.962 3.020 1.00 0.00 C ATOM 194 C LEU A 14 -0.847 5.113 2.027 1.00 0.00 C ATOM 195 O LEU A 14 -1.939 5.371 1.520 1.00 0.00 O ATOM 196 CB LEU A 14 -0.972 4.471 4.435 1.00 0.00 C ATOM 197 CG LEU A 14 -2.005 3.679 5.237 1.00 0.00 C ATOM 198 CD1 LEU A 14 -3.340 3.707 4.524 1.00 0.00 C ATOM 199 CD2 LEU A 14 -1.546 2.245 5.451 1.00 0.00 C ATOM 0 H LEU A 14 1.198 3.526 3.787 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.422 3.190 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.033 4.472 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.305 5.507 4.371 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.114 4.145 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.072 3.141 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.677 4.739 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.234 3.261 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.299 1.704 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.407 1.760 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.603 2.243 5.998 1.00 0.00 H new ATOM 211 N LYS A 15 0.259 5.786 1.740 1.00 0.00 N ATOM 212 CA LYS A 15 0.231 7.001 0.930 1.00 0.00 C ATOM 213 C LYS A 15 -0.192 6.729 -0.523 1.00 0.00 C ATOM 214 O LYS A 15 -1.131 7.359 -1.009 1.00 0.00 O ATOM 215 CB LYS A 15 1.583 7.722 0.981 1.00 0.00 C ATOM 216 CG LYS A 15 2.012 8.118 2.387 1.00 0.00 C ATOM 217 CD LYS A 15 0.966 8.987 3.070 1.00 0.00 C ATOM 218 CE LYS A 15 1.439 9.474 4.431 1.00 0.00 C ATOM 219 NZ LYS A 15 1.736 8.354 5.365 1.00 0.00 N ATOM 0 H LYS A 15 1.189 5.512 2.056 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.527 7.653 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.346 7.076 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.531 8.617 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.184 7.221 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.959 8.656 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.736 9.844 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.043 8.420 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.333 10.084 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.675 10.116 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.138 8.440 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.540 7.448 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.737 8.390 5.643 1.00 0.00 H new ATOM 233 N PRO A 16 0.463 5.800 -1.252 1.00 0.00 N ATOM 234 CA PRO A 16 0.082 5.510 -2.632 1.00 0.00 C ATOM 235 C PRO A 16 -1.114 4.567 -2.704 1.00 0.00 C ATOM 236 O PRO A 16 -1.788 4.470 -3.730 1.00 0.00 O ATOM 237 CB PRO A 16 1.330 4.843 -3.198 1.00 0.00 C ATOM 238 CG PRO A 16 1.936 4.138 -2.035 1.00 0.00 C ATOM 239 CD PRO A 16 1.607 4.967 -0.819 1.00 0.00 C ATOM 0 HA PRO A 16 -0.225 6.401 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.080 4.146 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.017 5.578 -3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.533 3.130 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.015 4.040 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.344 4.339 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.454 5.581 -0.513 1.00 0.00 H new ATOM 247 N CYS A 17 -1.380 3.889 -1.600 1.00 0.00 N ATOM 248 CA CYS A 17 -2.451 2.912 -1.540 1.00 0.00 C ATOM 249 C CYS A 17 -3.814 3.589 -1.465 1.00 0.00 C ATOM 250 O CYS A 17 -4.777 3.144 -2.093 1.00 0.00 O ATOM 251 CB CYS A 17 -2.259 2.003 -0.333 1.00 0.00 C ATOM 252 SG CYS A 17 -3.453 0.645 -0.253 1.00 0.00 S ATOM 0 H CYS A 17 -0.864 4.000 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.416 2.318 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.251 1.589 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.337 2.599 0.576 1.00 0.00 H new ATOM 257 N LYS A 18 -3.894 4.676 -0.707 1.00 0.00 N ATOM 258 CA LYS A 18 -5.146 5.396 -0.552 1.00 0.00 C ATOM 259 C LYS A 18 -5.592 5.993 -1.885 1.00 0.00 C ATOM 260 O LYS A 18 -6.784 6.073 -2.171 1.00 0.00 O ATOM 261 CB LYS A 18 -5.009 6.492 0.506 1.00 0.00 C ATOM 262 CG LYS A 18 -4.023 7.591 0.144 1.00 0.00 C ATOM 263 CD LYS A 18 -3.966 8.688 1.204 1.00 0.00 C ATOM 264 CE LYS A 18 -5.129 9.679 1.107 1.00 0.00 C ATOM 265 NZ LYS A 18 -6.452 9.067 1.416 1.00 0.00 N ATOM 0 H LYS A 18 -3.108 5.075 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.907 4.690 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.988 6.940 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.698 6.036 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.030 7.159 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.305 8.028 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.969 8.230 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.025 9.230 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.950 10.507 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.157 10.099 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.074 9.783 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.883 8.711 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.323 8.279 2.083 1.00 0.00 H new ATOM 279 N LYS A 19 -4.623 6.369 -2.715 1.00 0.00 N ATOM 280 CA LYS A 19 -4.923 6.992 -3.997 1.00 0.00 C ATOM 281 C LYS A 19 -5.151 5.911 -5.035 1.00 0.00 C ATOM 282 O LYS A 19 -5.665 6.156 -6.124 1.00 0.00 O ATOM 283 CB LYS A 19 -3.789 7.927 -4.417 1.00 0.00 C ATOM 284 CG LYS A 19 -2.558 7.232 -4.978 1.00 0.00 C ATOM 285 CD LYS A 19 -1.445 8.231 -5.250 1.00 0.00 C ATOM 286 CE LYS A 19 -0.246 7.580 -5.920 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.549 7.135 -7.305 1.00 0.00 N ATOM 0 H LYS A 19 -3.628 6.253 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.828 7.593 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.169 8.621 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.490 8.522 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.210 6.477 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.818 6.712 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.824 9.032 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.132 8.689 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.584 8.286 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.078 6.724 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.333 6.854 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.199 6.324 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.992 7.915 -7.831 1.00 0.00 H new ATOM 301 N ALA A 20 -4.756 4.710 -4.662 1.00 0.00 N ATOM 302 CA ALA A 20 -5.003 3.524 -5.468 1.00 0.00 C ATOM 303 C ALA A 20 -6.470 3.123 -5.378 1.00 0.00 C ATOM 304 O ALA A 20 -6.955 2.312 -6.165 1.00 0.00 O ATOM 305 CB ALA A 20 -4.116 2.379 -5.007 1.00 0.00 C ATOM 0 H ALA A 20 -4.255 4.525 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.765 3.752 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.311 1.498 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.069 2.666 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.330 2.150 -3.963 1.00 0.00 H new ATOM 311 N GLY A 21 -7.167 3.695 -4.404 1.00 0.00 N ATOM 312 CA GLY A 21 -8.568 3.391 -4.217 1.00 0.00 C ATOM 313 C GLY A 21 -8.773 2.233 -3.269 1.00 0.00 C ATOM 314 O GLY A 21 -9.883 1.722 -3.125 1.00 0.00 O ATOM 0 H GLY A 21 -6.783 4.366 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.082 4.271 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.020 3.155 -5.181 1.00 0.00 H new ATOM 318 N MET A 22 -7.698 1.816 -2.612 1.00 0.00 N ATOM 319 CA MET A 22 -7.773 0.703 -1.683 1.00 0.00 C ATOM 320 C MET A 22 -7.987 1.208 -0.266 1.00 0.00 C ATOM 321 O MET A 22 -8.114 2.416 -0.046 1.00 0.00 O ATOM 322 CB MET A 22 -6.520 -0.169 -1.765 1.00 0.00 C ATOM 323 CG MET A 22 -6.317 -0.810 -3.126 1.00 0.00 C ATOM 324 SD MET A 22 -7.674 -1.903 -3.591 1.00 0.00 S ATOM 325 CE MET A 22 -7.113 -2.465 -5.198 1.00 0.00 C ATOM 0 H MET A 22 -6.771 2.231 -2.706 1.00 0.00 H new ATOM 0 HA MET A 22 -8.627 0.085 -1.962 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.648 0.439 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.581 -0.952 -1.009 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.211 -0.029 -3.879 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.386 -1.376 -3.121 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.847 -3.152 -5.620 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.994 -1.609 -5.862 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.157 -2.977 -5.091 1.00 0.00 H new ATOM 335 N ARG A 23 -8.037 0.304 0.698 1.00 0.00 N ATOM 336 CA ARG A 23 -8.338 0.695 2.064 1.00 0.00 C ATOM 337 C ARG A 23 -7.057 1.029 2.830 1.00 0.00 C ATOM 338 O ARG A 23 -6.769 2.201 3.087 1.00 0.00 O ATOM 339 CB ARG A 23 -9.145 -0.401 2.764 1.00 0.00 C ATOM 340 CG ARG A 23 -9.784 0.053 4.061 1.00 0.00 C ATOM 341 CD ARG A 23 -11.108 -0.654 4.316 1.00 0.00 C ATOM 342 NE ARG A 23 -11.017 -2.102 4.145 1.00 0.00 N ATOM 343 CZ ARG A 23 -11.709 -2.981 4.872 1.00 0.00 C ATOM 344 NH1 ARG A 23 -12.482 -2.568 5.871 1.00 0.00 N ATOM 345 NH2 ARG A 23 -11.617 -4.274 4.601 1.00 0.00 N ATOM 0 H ARG A 23 -7.875 -0.694 0.563 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.948 1.598 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.924 -0.755 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.491 -1.249 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.103 -0.141 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.947 1.130 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.444 -0.432 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.863 -0.259 3.636 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.388 -2.462 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.549 -1.573 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.008 -3.246 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.019 -4.594 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.144 -4.950 5.154 1.00 0.00 H new ATOM 359 N PHE A 24 -6.282 0.010 3.179 1.00 0.00 N ATOM 360 CA PHE A 24 -5.001 0.222 3.841 1.00 0.00 C ATOM 361 C PHE A 24 -3.902 -0.447 3.037 1.00 0.00 C ATOM 362 O PHE A 24 -4.180 -1.183 2.095 1.00 0.00 O ATOM 363 CB PHE A 24 -4.974 -0.341 5.272 1.00 0.00 C ATOM 364 CG PHE A 24 -6.305 -0.762 5.814 1.00 0.00 C ATOM 365 CD1 PHE A 24 -6.791 -2.014 5.521 1.00 0.00 C ATOM 366 CD2 PHE A 24 -7.062 0.083 6.607 1.00 0.00 C ATOM 367 CE1 PHE A 24 -8.006 -2.433 6.001 1.00 0.00 C ATOM 368 CE2 PHE A 24 -8.287 -0.328 7.100 1.00 0.00 C ATOM 369 CZ PHE A 24 -8.760 -1.592 6.796 1.00 0.00 C ATOM 0 H PHE A 24 -6.517 -0.969 3.015 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.846 1.299 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.302 -1.199 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.551 0.414 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.207 -2.679 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.693 1.070 6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.372 -3.419 5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.872 0.335 7.720 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.715 -1.920 7.179 1.00 0.00 H new ATOM 379 N GLY A 25 -2.672 -0.208 3.438 1.00 0.00 N ATOM 380 CA GLY A 25 -1.531 -0.784 2.766 1.00 0.00 C ATOM 381 C GLY A 25 -0.508 -1.296 3.755 1.00 0.00 C ATOM 382 O GLY A 25 0.095 -0.517 4.496 1.00 0.00 O ATOM 0 H GLY A 25 -2.437 0.387 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.859 -1.601 2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.072 -0.036 2.120 1.00 0.00 H new ATOM 386 N LYS A 26 -0.336 -2.604 3.789 1.00 0.00 N ATOM 387 CA LYS A 26 0.615 -3.231 4.686 1.00 0.00 C ATOM 388 C LYS A 26 1.955 -3.385 3.983 1.00 0.00 C ATOM 389 O LYS A 26 2.022 -3.440 2.752 1.00 0.00 O ATOM 390 CB LYS A 26 0.097 -4.595 5.150 1.00 0.00 C ATOM 391 CG LYS A 26 -0.102 -5.587 4.016 1.00 0.00 C ATOM 392 CD LYS A 26 -0.590 -6.939 4.517 1.00 0.00 C ATOM 393 CE LYS A 26 -1.904 -6.821 5.276 1.00 0.00 C ATOM 394 NZ LYS A 26 -2.505 -8.150 5.557 1.00 0.00 N ATOM 0 H LYS A 26 -0.849 -3.259 3.199 1.00 0.00 H new ATOM 0 HA LYS A 26 0.743 -2.599 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.799 -5.015 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.850 -4.457 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.822 -5.183 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.838 -5.717 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.718 -7.615 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.166 -7.380 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.734 -6.294 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.605 -6.221 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.398 -8.025 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.691 -8.643 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.847 -8.714 6.132 1.00 0.00 H new ATOM 408 N CYS A 27 3.019 -3.467 4.756 1.00 0.00 N ATOM 409 CA CYS A 27 4.340 -3.576 4.177 1.00 0.00 C ATOM 410 C CYS A 27 4.636 -5.024 3.815 1.00 0.00 C ATOM 411 O CYS A 27 4.802 -5.878 4.690 1.00 0.00 O ATOM 412 CB CYS A 27 5.402 -3.034 5.132 1.00 0.00 C ATOM 413 SG CYS A 27 6.705 -2.091 4.284 1.00 0.00 S ATOM 0 H CYS A 27 2.995 -3.460 5.776 1.00 0.00 H new ATOM 0 HA CYS A 27 4.367 -2.974 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.923 -2.395 5.874 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.856 -3.865 5.672 1.00 0.00 H new ATOM 418 N ILE A 28 4.675 -5.297 2.522 1.00 0.00 N ATOM 419 CA ILE A 28 4.963 -6.622 2.030 1.00 0.00 C ATOM 420 C ILE A 28 6.440 -6.690 1.686 1.00 0.00 C ATOM 421 O ILE A 28 7.098 -5.654 1.635 1.00 0.00 O ATOM 422 CB ILE A 28 4.051 -6.951 0.815 1.00 0.00 C ATOM 423 CG1 ILE A 28 3.197 -8.185 1.100 1.00 0.00 C ATOM 424 CG2 ILE A 28 4.844 -7.148 -0.466 1.00 0.00 C ATOM 425 CD1 ILE A 28 2.404 -8.093 2.385 1.00 0.00 C ATOM 0 H ILE A 28 4.508 -4.606 1.791 1.00 0.00 H new ATOM 0 HA ILE A 28 4.751 -7.375 2.789 1.00 0.00 H new ATOM 0 HB ILE A 28 3.399 -6.090 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.509 -8.339 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.844 -9.061 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.162 -7.376 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.396 -6.237 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.544 -7.973 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.823 -9.005 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.087 -7.970 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.731 -7.237 2.337 1.00 0.00 H new ATOM 437 N ASN A 29 6.958 -7.899 1.497 1.00 0.00 N ATOM 438 CA ASN A 29 8.385 -8.107 1.241 1.00 0.00 C ATOM 439 C ASN A 29 8.839 -7.368 -0.016 1.00 0.00 C ATOM 440 O ASN A 29 8.910 -7.950 -1.100 1.00 0.00 O ATOM 441 CB ASN A 29 8.701 -9.601 1.100 1.00 0.00 C ATOM 442 CG ASN A 29 8.155 -10.428 2.247 1.00 0.00 C ATOM 443 OD1 ASN A 29 8.779 -10.539 3.301 1.00 0.00 O ATOM 444 ND2 ASN A 29 6.994 -11.033 2.040 1.00 0.00 N ATOM 0 H ASN A 29 6.409 -8.758 1.516 1.00 0.00 H new ATOM 0 HA ASN A 29 8.929 -7.705 2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.284 -9.969 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.781 -9.735 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.586 -11.617 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.509 -10.915 1.151 1.00 0.00 H new ATOM 451 N GLY A 30 9.135 -6.085 0.144 1.00 0.00 N ATOM 452 CA GLY A 30 9.591 -5.273 -0.957 1.00 0.00 C ATOM 453 C GLY A 30 8.499 -4.385 -1.533 1.00 0.00 C ATOM 454 O GLY A 30 8.790 -3.330 -2.090 1.00 0.00 O ATOM 0 H GLY A 30 9.064 -5.590 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.420 -4.649 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.977 -5.921 -1.744 1.00 0.00 H new ATOM 458 N LYS A 31 7.238 -4.782 -1.383 1.00 0.00 N ATOM 459 CA LYS A 31 6.161 -4.113 -2.110 1.00 0.00 C ATOM 460 C LYS A 31 5.096 -3.551 -1.178 1.00 0.00 C ATOM 461 O LYS A 31 4.972 -3.964 -0.027 1.00 0.00 O ATOM 462 CB LYS A 31 5.516 -5.068 -3.122 1.00 0.00 C ATOM 463 CG LYS A 31 6.453 -5.515 -4.236 1.00 0.00 C ATOM 464 CD LYS A 31 6.884 -4.357 -5.124 1.00 0.00 C ATOM 465 CE LYS A 31 5.707 -3.726 -5.857 1.00 0.00 C ATOM 466 NZ LYS A 31 5.009 -4.694 -6.748 1.00 0.00 N ATOM 0 H LYS A 31 6.940 -5.547 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 31 6.613 -3.274 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.151 -5.948 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.648 -4.579 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.335 -5.984 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.957 -6.272 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.380 -3.600 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.615 -4.711 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.999 -3.330 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.061 -2.882 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.897 -4.277 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.570 -5.567 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.072 -4.915 -6.354 1.00 0.00 H new ATOM 480 N CYS A 32 4.346 -2.594 -1.694 1.00 0.00 N ATOM 481 CA CYS A 32 3.220 -2.014 -0.984 1.00 0.00 C ATOM 482 C CYS A 32 1.959 -2.803 -1.317 1.00 0.00 C ATOM 483 O CYS A 32 1.428 -2.715 -2.429 1.00 0.00 O ATOM 484 CB CYS A 32 3.072 -0.537 -1.378 1.00 0.00 C ATOM 485 SG CYS A 32 1.768 0.372 -0.495 1.00 0.00 S ATOM 0 H CYS A 32 4.501 -2.196 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 32 3.385 -2.064 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.024 -0.034 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.871 -0.481 -2.448 1.00 0.00 H new ATOM 490 N ASP A 33 1.514 -3.608 -0.365 1.00 0.00 N ATOM 491 CA ASP A 33 0.352 -4.470 -0.573 1.00 0.00 C ATOM 492 C ASP A 33 -0.883 -3.877 0.088 1.00 0.00 C ATOM 493 O ASP A 33 -0.885 -3.599 1.284 1.00 0.00 O ATOM 494 CB ASP A 33 0.612 -5.866 -0.015 1.00 0.00 C ATOM 495 CG ASP A 33 -0.489 -6.848 -0.361 1.00 0.00 C ATOM 496 OD1 ASP A 33 -0.515 -7.352 -1.505 1.00 0.00 O ATOM 497 OD2 ASP A 33 -1.359 -7.097 0.499 1.00 0.00 O ATOM 0 H ASP A 33 1.937 -3.685 0.560 1.00 0.00 H new ATOM 0 HA ASP A 33 0.177 -4.544 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.560 -6.238 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.713 -5.807 1.069 1.00 0.00 H new ATOM 502 N CYS A 34 -1.936 -3.707 -0.688 1.00 0.00 N ATOM 503 CA CYS A 34 -3.138 -3.054 -0.197 1.00 0.00 C ATOM 504 C CYS A 34 -4.192 -4.051 0.243 1.00 0.00 C ATOM 505 O CYS A 34 -4.229 -5.192 -0.219 1.00 0.00 O ATOM 506 CB CYS A 34 -3.730 -2.155 -1.272 1.00 0.00 C ATOM 507 SG CYS A 34 -2.752 -0.670 -1.626 1.00 0.00 S ATOM 0 H CYS A 34 -1.985 -4.011 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.843 -2.462 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.840 -2.731 -2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.731 -1.852 -0.965 1.00 0.00 H new ATOM 512 N THR A 35 -5.048 -3.611 1.147 1.00 0.00 N ATOM 513 CA THR A 35 -6.200 -4.386 1.544 1.00 0.00 C ATOM 514 C THR A 35 -7.463 -3.787 0.928 1.00 0.00 C ATOM 515 O THR A 35 -7.676 -2.574 1.007 1.00 0.00 O ATOM 516 CB THR A 35 -6.337 -4.393 3.068 1.00 0.00 C ATOM 517 OG1 THR A 35 -5.111 -4.828 3.670 1.00 0.00 O ATOM 518 CG2 THR A 35 -7.474 -5.291 3.519 1.00 0.00 C ATOM 0 H THR A 35 -4.962 -2.712 1.622 1.00 0.00 H new ATOM 0 HA THR A 35 -6.069 -5.409 1.192 1.00 0.00 H new ATOM 0 HB THR A 35 -6.561 -3.375 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.207 -4.828 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.543 -5.272 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.411 -4.935 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.286 -6.311 3.185 1.00 0.00 H new ATOM 526 N PRO A 36 -8.306 -4.614 0.298 1.00 0.00 N ATOM 527 CA PRO A 36 -9.557 -4.153 -0.277 1.00 0.00 C ATOM 528 C PRO A 36 -10.654 -4.039 0.780 1.00 0.00 C ATOM 529 O PRO A 36 -10.555 -4.627 1.861 1.00 0.00 O ATOM 530 CB PRO A 36 -9.899 -5.225 -1.314 1.00 0.00 C ATOM 531 CG PRO A 36 -9.120 -6.447 -0.943 1.00 0.00 C ATOM 532 CD PRO A 36 -8.114 -6.059 0.109 1.00 0.00 C ATOM 0 HA PRO A 36 -9.472 -3.156 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.969 -5.434 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.638 -4.890 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.786 -7.223 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.616 -6.858 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.282 -6.605 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.097 -6.284 -0.214 1.00 0.00 H new ATOM 540 N LYS A 37 -11.677 -3.260 0.482 1.00 0.00 N ATOM 541 CA LYS A 37 -12.785 -3.069 1.387 1.00 0.00 C ATOM 542 C LYS A 37 -13.875 -4.102 1.111 1.00 0.00 C ATOM 543 O LYS A 37 -14.666 -3.906 0.165 1.00 0.00 O ATOM 544 CB LYS A 37 -13.317 -1.642 1.247 1.00 0.00 C ATOM 545 CG LYS A 37 -14.631 -1.415 1.961 1.00 0.00 C ATOM 546 CD LYS A 37 -15.051 0.048 1.939 1.00 0.00 C ATOM 547 CE LYS A 37 -15.238 0.566 0.522 1.00 0.00 C ATOM 548 NZ LYS A 37 -15.691 1.982 0.507 1.00 0.00 N ATOM 549 OXT LYS A 37 -13.925 -5.119 1.835 1.00 0.00 O ATOM 0 H LYS A 37 -11.759 -2.744 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.449 -3.211 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.575 -0.946 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.443 -1.412 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.407 -2.021 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.544 -1.751 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.982 0.166 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.298 0.649 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.298 0.479 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.967 -0.055 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.807 2.299 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.600 2.061 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.983 2.578 0.981 1.00 0.00 H new