USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0.638 USER MOD Single : A 11 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.614 K(o=-0.61,f=-4.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -137:sc=-0.00521 (180deg=-0.122) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc=-0.00461 (180deg=-0.925) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -84:sc= 0.903 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.27) USER MOD Single : A 69 TYR OH : rot -153:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.732 4.845 0.678 1.00 0.00 N ATOM 67 CA ASP A 8 3.121 4.432 0.843 1.00 0.00 C ATOM 68 C ASP A 8 3.251 2.915 0.755 1.00 0.00 C ATOM 69 O ASP A 8 3.035 2.205 1.737 1.00 0.00 O ATOM 70 CB ASP A 8 3.667 4.927 2.183 1.00 0.00 C ATOM 71 CG ASP A 8 3.872 6.428 2.207 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.080 7.146 1.560 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.824 6.886 2.873 1.00 0.00 O ATOM 0 HA ASP A 8 3.704 4.876 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.978 4.645 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.615 4.431 2.391 1.00 0.00 H new ATOM 78 N TYR A 9 3.604 2.424 -0.428 1.00 0.00 N ATOM 79 CA TYR A 9 3.760 0.991 -0.645 1.00 0.00 C ATOM 80 C TYR A 9 4.595 0.359 0.464 1.00 0.00 C ATOM 81 O TYR A 9 4.223 -0.672 1.026 1.00 0.00 O ATOM 82 CB TYR A 9 4.413 0.727 -2.003 1.00 0.00 C ATOM 83 CG TYR A 9 3.580 1.194 -3.176 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.221 0.913 -3.244 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.153 1.916 -4.216 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.457 1.337 -4.314 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.396 2.344 -5.289 1.00 0.00 C ATOM 88 CZ TYR A 9 2.049 2.052 -5.334 1.00 0.00 C ATOM 89 OH TYR A 9 1.290 2.477 -6.401 1.00 0.00 O ATOM 0 H TYR A 9 3.787 2.998 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 9 2.769 0.538 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.382 1.226 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.602 -0.342 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.754 0.354 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.208 2.146 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.402 1.110 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.857 2.905 -6.089 1.00 0.00 H new ATOM 0 HH TYR A 9 1.858 2.967 -7.032 1.00 0.00 H new ATOM 99 N TYR A 10 5.724 0.985 0.775 1.00 0.00 N ATOM 100 CA TYR A 10 6.614 0.484 1.816 1.00 0.00 C ATOM 101 C TYR A 10 5.834 0.141 3.081 1.00 0.00 C ATOM 102 O TYR A 10 6.178 -0.798 3.799 1.00 0.00 O ATOM 103 CB TYR A 10 7.694 1.520 2.134 1.00 0.00 C ATOM 104 CG TYR A 10 8.641 1.781 0.985 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.288 0.735 0.341 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.887 3.076 0.542 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.155 0.969 -0.710 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.750 3.319 -0.508 1.00 0.00 C ATOM 109 CZ TYR A 10 10.382 2.263 -1.130 1.00 0.00 C ATOM 110 OH TYR A 10 11.243 2.500 -2.177 1.00 0.00 O ATOM 0 H TYR A 10 6.045 1.840 0.321 1.00 0.00 H new ATOM 0 HA TYR A 10 7.089 -0.425 1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.214 2.457 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.268 1.181 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.111 -0.279 0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.395 3.906 1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.651 0.144 -1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.929 4.331 -0.840 1.00 0.00 H new ATOM 0 HH TYR A 10 11.292 3.464 -2.349 1.00 0.00 H new ATOM 120 N GLN A 11 4.782 0.908 3.346 1.00 0.00 N ATOM 121 CA GLN A 11 3.952 0.685 4.524 1.00 0.00 C ATOM 122 C GLN A 11 2.994 -0.481 4.303 1.00 0.00 C ATOM 123 O GLN A 11 2.814 -1.323 5.182 1.00 0.00 O ATOM 124 CB GLN A 11 3.163 1.951 4.864 1.00 0.00 C ATOM 125 CG GLN A 11 3.932 2.932 5.734 1.00 0.00 C ATOM 126 CD GLN A 11 4.153 2.414 7.142 1.00 0.00 C ATOM 127 OE1 GLN A 11 5.291 2.272 7.592 1.00 0.00 O ATOM 128 NE2 GLN A 11 3.064 2.130 7.846 1.00 0.00 N ATOM 0 H GLN A 11 4.484 1.689 2.761 1.00 0.00 H new ATOM 0 HA GLN A 11 4.608 0.438 5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.874 2.449 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.243 1.669 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.897 3.142 5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.388 3.876 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.141 2.263 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.150 1.779 8.800 1.00 0.00 H new ATOM 137 N ILE A 12 2.383 -0.523 3.124 1.00 0.00 N ATOM 138 CA ILE A 12 1.445 -1.586 2.788 1.00 0.00 C ATOM 139 C ILE A 12 2.096 -2.958 2.927 1.00 0.00 C ATOM 140 O ILE A 12 1.474 -3.907 3.408 1.00 0.00 O ATOM 141 CB ILE A 12 0.906 -1.429 1.353 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.055 -0.163 1.241 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.097 -2.654 0.955 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.214 0.260 -0.187 1.00 0.00 C ATOM 0 H ILE A 12 2.521 0.167 2.386 1.00 0.00 H new ATOM 0 HA ILE A 12 0.615 -1.507 3.490 1.00 0.00 H new ATOM 0 HB ILE A 12 1.751 -1.338 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.896 -0.328 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.558 0.651 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.277 -2.529 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.731 -3.539 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.743 -2.773 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.823 1.164 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.731 0.457 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.745 -0.536 -0.709 1.00 0.00 H new ATOM 156 N LEU A 13 3.352 -3.056 2.505 1.00 0.00 N ATOM 157 CA LEU A 13 4.089 -4.312 2.584 1.00 0.00 C ATOM 158 C LEU A 13 4.696 -4.501 3.971 1.00 0.00 C ATOM 159 O LEU A 13 4.748 -5.615 4.490 1.00 0.00 O ATOM 160 CB LEU A 13 5.191 -4.347 1.524 1.00 0.00 C ATOM 161 CG LEU A 13 4.738 -4.643 0.094 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.798 -4.204 -0.904 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.429 -6.124 -0.071 1.00 0.00 C ATOM 0 H LEU A 13 3.881 -2.281 2.105 1.00 0.00 H new ATOM 0 HA LEU A 13 3.389 -5.127 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.703 -3.385 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.923 -5.100 1.815 1.00 0.00 H new ATOM 0 HG LEU A 13 3.827 -4.077 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.458 -4.423 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.971 -3.133 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.726 -4.742 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.108 -6.317 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.323 -6.709 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.634 -6.409 0.618 1.00 0.00 H new ATOM 175 N GLY A 14 5.152 -3.404 4.567 1.00 0.00 N ATOM 176 CA GLY A 14 5.746 -3.469 5.889 1.00 0.00 C ATOM 177 C GLY A 14 7.261 -3.483 5.843 1.00 0.00 C ATOM 178 O GLY A 14 7.907 -4.182 6.624 1.00 0.00 O ATOM 0 H GLY A 14 5.121 -2.470 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.411 -2.614 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.393 -4.365 6.399 1.00 0.00 H new ATOM 182 N VAL A 15 7.831 -2.710 4.924 1.00 0.00 N ATOM 183 CA VAL A 15 9.280 -2.636 4.779 1.00 0.00 C ATOM 184 C VAL A 15 9.771 -1.197 4.892 1.00 0.00 C ATOM 185 O VAL A 15 9.056 -0.245 4.580 1.00 0.00 O ATOM 186 CB VAL A 15 9.739 -3.219 3.429 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.634 -4.737 3.439 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.924 -2.627 2.289 1.00 0.00 C ATOM 0 H VAL A 15 7.311 -2.126 4.269 1.00 0.00 H new ATOM 0 HA VAL A 15 9.710 -3.228 5.587 1.00 0.00 H new ATOM 0 HB VAL A 15 10.785 -2.953 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.962 -5.131 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.265 -5.140 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.599 -5.029 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.261 -3.050 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.870 -2.861 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.056 -1.545 2.271 1.00 0.00 H new ATOM 198 N PRO A 16 11.022 -1.033 5.348 1.00 0.00 N ATOM 199 CA PRO A 16 11.638 0.287 5.512 1.00 0.00 C ATOM 200 C PRO A 16 11.932 0.959 4.175 1.00 0.00 C ATOM 201 O PRO A 16 12.310 0.299 3.207 1.00 0.00 O ATOM 202 CB PRO A 16 12.940 -0.019 6.255 1.00 0.00 C ATOM 203 CG PRO A 16 13.256 -1.431 5.900 1.00 0.00 C ATOM 204 CD PRO A 16 11.931 -2.124 5.738 1.00 0.00 C ATOM 0 HA PRO A 16 10.983 0.980 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.739 0.655 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.819 0.101 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.838 -1.481 4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.852 -1.905 6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.975 -2.902 4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.611 -2.602 6.664 1.00 0.00 H new ATOM 212 N ARG A 17 11.757 2.276 4.129 1.00 0.00 N ATOM 213 CA ARG A 17 12.004 3.037 2.910 1.00 0.00 C ATOM 214 C ARG A 17 13.287 2.570 2.228 1.00 0.00 C ATOM 215 O ARG A 17 13.369 2.529 1.001 1.00 0.00 O ATOM 216 CB ARG A 17 12.097 4.531 3.226 1.00 0.00 C ATOM 217 CG ARG A 17 10.847 5.093 3.885 1.00 0.00 C ATOM 218 CD ARG A 17 11.048 6.535 4.322 1.00 0.00 C ATOM 219 NE ARG A 17 10.724 7.480 3.257 1.00 0.00 N ATOM 220 CZ ARG A 17 10.934 8.789 3.347 1.00 0.00 C ATOM 221 NH1 ARG A 17 11.467 9.304 4.446 1.00 0.00 N ATOM 222 NH2 ARG A 17 10.613 9.584 2.335 1.00 0.00 N ATOM 0 H ARG A 17 11.445 2.838 4.921 1.00 0.00 H new ATOM 0 HA ARG A 17 11.169 2.867 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.951 4.703 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.288 5.078 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.010 5.036 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.584 4.483 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.424 6.741 5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.083 6.679 4.632 1.00 0.00 H new ATOM 0 HE ARG A 17 10.314 7.115 2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.717 8.695 5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.627 10.309 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.205 9.191 1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.774 10.589 2.405 1.00 0.00 H new ATOM 236 N ASN A 18 14.285 2.220 3.032 1.00 0.00 N ATOM 237 CA ASN A 18 15.564 1.757 2.506 1.00 0.00 C ATOM 238 C ASN A 18 15.669 0.238 2.590 1.00 0.00 C ATOM 239 O ASN A 18 16.696 -0.302 3.001 1.00 0.00 O ATOM 240 CB ASN A 18 16.719 2.403 3.275 1.00 0.00 C ATOM 241 CG ASN A 18 16.840 3.888 2.996 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.364 4.296 1.959 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.355 4.706 3.923 1.00 0.00 N ATOM 0 H ASN A 18 14.233 2.248 4.050 1.00 0.00 H new ATOM 0 HA ASN A 18 15.625 2.050 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.572 2.248 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.652 1.908 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.409 5.716 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.929 4.324 4.768 1.00 0.00 H new ATOM 250 N ALA A 19 14.599 -0.447 2.197 1.00 0.00 N ATOM 251 CA ALA A 19 14.572 -1.904 2.225 1.00 0.00 C ATOM 252 C ALA A 19 15.281 -2.490 1.009 1.00 0.00 C ATOM 253 O ALA A 19 15.232 -1.923 -0.083 1.00 0.00 O ATOM 254 CB ALA A 19 13.136 -2.403 2.293 1.00 0.00 C ATOM 0 H ALA A 19 13.740 -0.016 1.856 1.00 0.00 H new ATOM 0 HA ALA A 19 15.104 -2.236 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.130 -3.493 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.660 -2.021 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.588 -2.053 1.418 1.00 0.00 H new ATOM 260 N SER A 20 15.940 -3.627 1.205 1.00 0.00 N ATOM 261 CA SER A 20 16.664 -4.287 0.125 1.00 0.00 C ATOM 262 C SER A 20 15.728 -5.171 -0.695 1.00 0.00 C ATOM 263 O SER A 20 14.727 -5.672 -0.185 1.00 0.00 O ATOM 264 CB SER A 20 17.812 -5.126 0.690 1.00 0.00 C ATOM 265 OG SER A 20 19.000 -4.361 0.791 1.00 0.00 O ATOM 0 H SER A 20 15.988 -4.111 2.102 1.00 0.00 H new ATOM 0 HA SER A 20 17.074 -3.517 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.537 -5.509 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.985 -5.990 0.048 1.00 0.00 H new ATOM 0 HG SER A 20 19.718 -4.919 1.156 1.00 0.00 H new ATOM 271 N GLN A 21 16.064 -5.357 -1.967 1.00 0.00 N ATOM 272 CA GLN A 21 15.254 -6.179 -2.858 1.00 0.00 C ATOM 273 C GLN A 21 14.740 -7.420 -2.136 1.00 0.00 C ATOM 274 O GLN A 21 13.561 -7.764 -2.230 1.00 0.00 O ATOM 275 CB GLN A 21 16.066 -6.590 -4.087 1.00 0.00 C ATOM 276 CG GLN A 21 15.982 -5.595 -5.233 1.00 0.00 C ATOM 277 CD GLN A 21 14.558 -5.166 -5.530 1.00 0.00 C ATOM 278 OE1 GLN A 21 13.769 -5.934 -6.081 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.222 -3.935 -5.165 1.00 0.00 N ATOM 0 H GLN A 21 16.891 -4.950 -2.404 1.00 0.00 H new ATOM 0 HA GLN A 21 14.397 -5.586 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.110 -6.711 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.716 -7.562 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.579 -4.716 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.418 -6.039 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.908 -3.332 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.277 -3.592 -5.339 1.00 0.00 H new ATOM 288 N LYS A 22 15.631 -8.090 -1.414 1.00 0.00 N ATOM 289 CA LYS A 22 15.269 -9.293 -0.674 1.00 0.00 C ATOM 290 C LYS A 22 14.120 -9.014 0.291 1.00 0.00 C ATOM 291 O LYS A 22 13.139 -9.755 0.332 1.00 0.00 O ATOM 292 CB LYS A 22 16.478 -9.826 0.098 1.00 0.00 C ATOM 293 CG LYS A 22 17.349 -10.771 -0.713 1.00 0.00 C ATOM 294 CD LYS A 22 18.177 -10.021 -1.742 1.00 0.00 C ATOM 295 CE LYS A 22 19.490 -10.734 -2.029 1.00 0.00 C ATOM 296 NZ LYS A 22 20.025 -10.391 -3.375 1.00 0.00 N ATOM 0 H LYS A 22 16.611 -7.820 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 22 14.943 -10.046 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.084 -8.984 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.129 -10.344 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.010 -11.322 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.720 -11.506 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.607 -9.920 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.381 -9.013 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.223 -10.466 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.340 -11.812 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.920 -10.897 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.337 -10.670 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.192 -9.366 -3.431 1.00 0.00 H new ATOM 310 N GLU A 23 14.250 -7.939 1.063 1.00 0.00 N ATOM 311 CA GLU A 23 13.222 -7.563 2.026 1.00 0.00 C ATOM 312 C GLU A 23 11.896 -7.285 1.324 1.00 0.00 C ATOM 313 O GLU A 23 10.838 -7.721 1.779 1.00 0.00 O ATOM 314 CB GLU A 23 13.661 -6.330 2.818 1.00 0.00 C ATOM 315 CG GLU A 23 14.770 -6.612 3.818 1.00 0.00 C ATOM 316 CD GLU A 23 15.473 -5.350 4.281 1.00 0.00 C ATOM 317 OE1 GLU A 23 14.998 -4.732 5.256 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.496 -4.981 3.668 1.00 0.00 O ATOM 0 H GLU A 23 15.056 -7.314 1.040 1.00 0.00 H new ATOM 0 HA GLU A 23 13.082 -8.397 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.998 -5.562 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.800 -5.924 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.352 -7.129 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.499 -7.285 3.366 1.00 0.00 H new ATOM 325 N ILE A 24 11.961 -6.556 0.216 1.00 0.00 N ATOM 326 CA ILE A 24 10.766 -6.219 -0.549 1.00 0.00 C ATOM 327 C ILE A 24 10.079 -7.475 -1.076 1.00 0.00 C ATOM 328 O ILE A 24 8.858 -7.607 -0.998 1.00 0.00 O ATOM 329 CB ILE A 24 11.098 -5.294 -1.734 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.643 -3.956 -1.228 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.865 -5.076 -2.598 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.500 -3.231 -2.241 1.00 0.00 C ATOM 0 H ILE A 24 12.829 -6.187 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 24 10.093 -5.697 0.131 1.00 0.00 H new ATOM 0 HB ILE A 24 11.865 -5.771 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.807 -3.316 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.229 -4.130 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.116 -4.420 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.516 -6.034 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.078 -4.617 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.851 -2.292 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.356 -3.852 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.911 -3.026 -3.135 1.00 0.00 H new ATOM 344 N LYS A 25 10.873 -8.396 -1.611 1.00 0.00 N ATOM 345 CA LYS A 25 10.344 -9.644 -2.149 1.00 0.00 C ATOM 346 C LYS A 25 9.762 -10.512 -1.038 1.00 0.00 C ATOM 347 O LYS A 25 8.661 -11.047 -1.166 1.00 0.00 O ATOM 348 CB LYS A 25 11.442 -10.411 -2.888 1.00 0.00 C ATOM 349 CG LYS A 25 10.987 -11.756 -3.427 1.00 0.00 C ATOM 350 CD LYS A 25 12.164 -12.683 -3.682 1.00 0.00 C ATOM 351 CE LYS A 25 12.526 -13.478 -2.437 1.00 0.00 C ATOM 352 NZ LYS A 25 13.404 -14.639 -2.757 1.00 0.00 N ATOM 0 H LYS A 25 11.886 -8.302 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 25 9.546 -9.399 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.805 -9.802 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.283 -10.566 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.304 -12.221 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.432 -11.609 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.920 -13.368 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.025 -12.099 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.031 -12.826 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.615 -13.833 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.629 -15.156 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.913 -15.274 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.284 -14.299 -3.194 1.00 0.00 H new ATOM 366 N LYS A 26 10.508 -10.646 0.054 1.00 0.00 N ATOM 367 CA LYS A 26 10.066 -11.446 1.190 1.00 0.00 C ATOM 368 C LYS A 26 8.787 -10.875 1.793 1.00 0.00 C ATOM 369 O LYS A 26 7.786 -11.577 1.930 1.00 0.00 O ATOM 370 CB LYS A 26 11.163 -11.507 2.255 1.00 0.00 C ATOM 371 CG LYS A 26 10.907 -12.546 3.333 1.00 0.00 C ATOM 372 CD LYS A 26 11.842 -12.363 4.517 1.00 0.00 C ATOM 373 CE LYS A 26 11.271 -11.388 5.534 1.00 0.00 C ATOM 374 NZ LYS A 26 10.142 -11.984 6.301 1.00 0.00 N ATOM 0 H LYS A 26 11.422 -10.210 0.176 1.00 0.00 H new ATOM 0 HA LYS A 26 9.859 -12.455 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.115 -11.724 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.259 -10.527 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.873 -12.474 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.038 -13.544 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.018 -13.327 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.808 -12.000 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.057 -11.081 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.928 -10.489 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.376 -11.286 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.788 -12.825 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.472 -12.258 7.248 1.00 0.00 H new ATOM 388 N ALA A 27 8.828 -9.596 2.152 1.00 0.00 N ATOM 389 CA ALA A 27 7.671 -8.929 2.737 1.00 0.00 C ATOM 390 C ALA A 27 6.415 -9.183 1.911 1.00 0.00 C ATOM 391 O ALA A 27 5.352 -9.484 2.456 1.00 0.00 O ATOM 392 CB ALA A 27 7.930 -7.435 2.862 1.00 0.00 C ATOM 0 H ALA A 27 9.650 -9.001 2.048 1.00 0.00 H new ATOM 0 HA ALA A 27 7.509 -9.343 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.058 -6.950 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.797 -7.268 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.121 -7.015 1.874 1.00 0.00 H new ATOM 398 N TYR A 28 6.543 -9.060 0.595 1.00 0.00 N ATOM 399 CA TYR A 28 5.417 -9.273 -0.306 1.00 0.00 C ATOM 400 C TYR A 28 4.829 -10.669 -0.122 1.00 0.00 C ATOM 401 O TYR A 28 3.632 -10.824 0.125 1.00 0.00 O ATOM 402 CB TYR A 28 5.855 -9.080 -1.759 1.00 0.00 C ATOM 403 CG TYR A 28 4.838 -9.564 -2.768 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.601 -8.943 -2.890 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.115 -10.642 -3.599 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.669 -9.383 -3.809 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.189 -11.087 -4.523 1.00 0.00 C ATOM 408 CZ TYR A 28 2.968 -10.455 -4.624 1.00 0.00 C ATOM 409 OH TYR A 28 2.042 -10.895 -5.542 1.00 0.00 O ATOM 0 H TYR A 28 7.416 -8.814 0.128 1.00 0.00 H new ATOM 0 HA TYR A 28 4.648 -8.539 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.052 -8.022 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.794 -9.609 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.364 -8.102 -2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.070 -11.141 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.711 -8.891 -3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.421 -11.926 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 28 2.409 -11.657 -6.037 1.00 0.00 H new ATOM 419 N TYR A 29 5.679 -11.683 -0.244 1.00 0.00 N ATOM 420 CA TYR A 29 5.245 -13.066 -0.093 1.00 0.00 C ATOM 421 C TYR A 29 4.598 -13.289 1.271 1.00 0.00 C ATOM 422 O TYR A 29 3.626 -14.034 1.394 1.00 0.00 O ATOM 423 CB TYR A 29 6.430 -14.017 -0.269 1.00 0.00 C ATOM 424 CG TYR A 29 6.788 -14.278 -1.715 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.849 -14.793 -2.600 1.00 0.00 C ATOM 426 CD2 TYR A 29 8.064 -14.010 -2.195 1.00 0.00 C ATOM 427 CE1 TYR A 29 6.171 -15.034 -3.922 1.00 0.00 C ATOM 428 CE2 TYR A 29 8.394 -14.247 -3.515 1.00 0.00 C ATOM 429 CZ TYR A 29 7.445 -14.759 -4.375 1.00 0.00 C ATOM 430 OH TYR A 29 7.770 -14.997 -5.691 1.00 0.00 O ATOM 0 H TYR A 29 6.672 -11.573 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 29 4.504 -13.273 -0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.298 -13.601 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.199 -14.965 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.851 -15.009 -2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.810 -13.610 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.430 -15.435 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.390 -14.032 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 29 8.705 -14.749 -5.847 1.00 0.00 H new ATOM 440 N GLN A 30 5.145 -12.637 2.291 1.00 0.00 N ATOM 441 CA GLN A 30 4.622 -12.763 3.647 1.00 0.00 C ATOM 442 C GLN A 30 3.215 -12.184 3.743 1.00 0.00 C ATOM 443 O GLN A 30 2.282 -12.859 4.180 1.00 0.00 O ATOM 444 CB GLN A 30 5.547 -12.057 4.640 1.00 0.00 C ATOM 445 CG GLN A 30 6.669 -12.941 5.161 1.00 0.00 C ATOM 446 CD GLN A 30 6.161 -14.241 5.753 1.00 0.00 C ATOM 447 OE1 GLN A 30 4.961 -14.408 5.975 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.074 -15.170 6.012 1.00 0.00 N ATOM 0 H GLN A 30 5.950 -12.016 2.205 1.00 0.00 H new ATOM 0 HA GLN A 30 4.576 -13.823 3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.980 -11.180 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.956 -11.699 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.360 -13.162 4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.233 -12.397 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.058 -14.988 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.792 -16.065 6.411 1.00 0.00 H new ATOM 457 N LEU A 31 3.068 -10.929 3.333 1.00 0.00 N ATOM 458 CA LEU A 31 1.773 -10.257 3.374 1.00 0.00 C ATOM 459 C LEU A 31 0.753 -10.990 2.509 1.00 0.00 C ATOM 460 O LEU A 31 -0.374 -11.239 2.937 1.00 0.00 O ATOM 461 CB LEU A 31 1.913 -8.809 2.902 1.00 0.00 C ATOM 462 CG LEU A 31 2.400 -7.806 3.948 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.246 -7.351 4.829 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.510 -8.413 4.793 1.00 0.00 C ATOM 0 H LEU A 31 3.829 -10.356 2.968 1.00 0.00 H new ATOM 0 HA LEU A 31 1.419 -10.264 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.603 -8.788 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.945 -8.474 2.530 1.00 0.00 H new ATOM 0 HG LEU A 31 2.800 -6.935 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.611 -6.637 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.483 -6.876 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.816 -8.213 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.844 -7.685 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.135 -9.301 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.347 -8.689 4.151 1.00 0.00 H new ATOM 476 N ALA A 32 1.156 -11.334 1.290 1.00 0.00 N ATOM 477 CA ALA A 32 0.278 -12.042 0.366 1.00 0.00 C ATOM 478 C ALA A 32 -0.371 -13.246 1.040 1.00 0.00 C ATOM 479 O ALA A 32 -1.596 -13.329 1.140 1.00 0.00 O ATOM 480 CB ALA A 32 1.053 -12.479 -0.868 1.00 0.00 C ATOM 0 H ALA A 32 2.085 -11.134 0.919 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.515 -11.359 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.385 -13.006 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.464 -11.602 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.866 -13.142 -0.571 1.00 0.00 H new ATOM 486 N LYS A 33 0.456 -14.178 1.499 1.00 0.00 N ATOM 487 CA LYS A 33 -0.037 -15.378 2.164 1.00 0.00 C ATOM 488 C LYS A 33 -1.013 -15.020 3.281 1.00 0.00 C ATOM 489 O LYS A 33 -2.004 -15.717 3.501 1.00 0.00 O ATOM 490 CB LYS A 33 1.131 -16.187 2.733 1.00 0.00 C ATOM 491 CG LYS A 33 0.867 -17.682 2.788 1.00 0.00 C ATOM 492 CD LYS A 33 2.109 -18.453 3.202 1.00 0.00 C ATOM 493 CE LYS A 33 2.997 -18.763 2.008 1.00 0.00 C ATOM 494 NZ LYS A 33 4.098 -19.700 2.363 1.00 0.00 N ATOM 0 H LYS A 33 1.472 -14.126 1.423 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.564 -15.982 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.018 -16.005 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.354 -15.829 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.060 -17.884 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.531 -18.029 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.671 -17.873 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.816 -19.383 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.394 -19.197 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.420 -17.836 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.680 -19.886 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.689 -19.276 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.695 -20.594 2.709 1.00 0.00 H new ATOM 508 N LYS A 34 -0.727 -13.929 3.982 1.00 0.00 N ATOM 509 CA LYS A 34 -1.580 -13.476 5.075 1.00 0.00 C ATOM 510 C LYS A 34 -2.939 -13.021 4.551 1.00 0.00 C ATOM 511 O LYS A 34 -3.979 -13.386 5.098 1.00 0.00 O ATOM 512 CB LYS A 34 -0.906 -12.331 5.835 1.00 0.00 C ATOM 513 CG LYS A 34 -1.793 -11.697 6.892 1.00 0.00 C ATOM 514 CD LYS A 34 -1.322 -10.297 7.248 1.00 0.00 C ATOM 515 CE LYS A 34 -0.313 -10.321 8.386 1.00 0.00 C ATOM 516 NZ LYS A 34 1.023 -10.799 7.932 1.00 0.00 N ATOM 0 H LYS A 34 0.089 -13.341 3.813 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.733 -14.314 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.000 -12.706 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.599 -11.565 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.820 -11.655 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.796 -12.319 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.873 -9.829 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.178 -9.685 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.217 -9.320 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.679 -10.969 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.762 -10.394 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.058 -11.837 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.183 -10.500 6.949 1.00 0.00 H new ATOM 530 N TYR A 35 -2.921 -12.224 3.488 1.00 0.00 N ATOM 531 CA TYR A 35 -4.152 -11.720 2.891 1.00 0.00 C ATOM 532 C TYR A 35 -4.483 -12.472 1.606 1.00 0.00 C ATOM 533 O TYR A 35 -4.798 -11.865 0.581 1.00 0.00 O ATOM 534 CB TYR A 35 -4.027 -10.223 2.602 1.00 0.00 C ATOM 535 CG TYR A 35 -3.811 -9.383 3.841 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.857 -9.120 4.717 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.562 -8.852 4.135 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.665 -8.352 5.849 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.360 -8.084 5.266 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.414 -7.837 6.119 1.00 0.00 C ATOM 541 OH TYR A 35 -3.218 -7.072 7.246 1.00 0.00 O ATOM 0 H TYR A 35 -2.068 -11.913 3.023 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.963 -11.880 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.196 -10.062 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.930 -9.883 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.837 -9.523 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.734 -9.043 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.489 -8.156 6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.382 -7.680 5.480 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.281 -6.788 7.290 1.00 0.00 H new ATOM 551 N HIS A 36 -4.408 -13.797 1.667 1.00 0.00 N ATOM 552 CA HIS A 36 -4.700 -14.634 0.509 1.00 0.00 C ATOM 553 C HIS A 36 -6.206 -14.783 0.312 1.00 0.00 C ATOM 554 O HIS A 36 -6.971 -14.918 1.267 1.00 0.00 O ATOM 555 CB HIS A 36 -4.057 -16.012 0.673 1.00 0.00 C ATOM 556 CG HIS A 36 -3.673 -16.652 -0.625 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.341 -17.734 -1.158 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.682 -16.355 -1.499 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.778 -18.076 -2.303 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.769 -17.255 -2.533 1.00 0.00 N ATOM 0 H HIS A 36 -4.147 -14.315 2.506 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.282 -14.149 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.169 -15.918 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.750 -16.667 1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.958 -15.559 -1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.090 -18.889 -2.942 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.154 -17.285 -3.346 1.00 0.00 H new ATOM 704 N ALA A 46 -10.353 -8.226 1.584 1.00 0.00 N ATOM 705 CA ALA A 46 -9.059 -8.814 1.262 1.00 0.00 C ATOM 706 C ALA A 46 -8.756 -8.692 -0.228 1.00 0.00 C ATOM 707 O ALA A 46 -7.675 -8.252 -0.619 1.00 0.00 O ATOM 708 CB ALA A 46 -9.021 -10.273 1.692 1.00 0.00 C ATOM 0 HA ALA A 46 -8.292 -8.265 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.049 -10.700 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.184 -10.340 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.803 -10.826 1.171 1.00 0.00 H new ATOM 714 N LYS A 47 -9.717 -9.086 -1.057 1.00 0.00 N ATOM 715 CA LYS A 47 -9.555 -9.020 -2.504 1.00 0.00 C ATOM 716 C LYS A 47 -8.913 -7.701 -2.920 1.00 0.00 C ATOM 717 O LYS A 47 -8.164 -7.645 -3.895 1.00 0.00 O ATOM 718 CB LYS A 47 -10.909 -9.183 -3.198 1.00 0.00 C ATOM 719 CG LYS A 47 -10.801 -9.439 -4.691 1.00 0.00 C ATOM 720 CD LYS A 47 -10.359 -10.863 -4.982 1.00 0.00 C ATOM 721 CE LYS A 47 -11.543 -11.816 -5.026 1.00 0.00 C ATOM 722 NZ LYS A 47 -11.109 -13.241 -5.023 1.00 0.00 N ATOM 0 H LYS A 47 -10.617 -9.455 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.898 -9.835 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.448 -10.009 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.502 -8.283 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.765 -9.253 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.090 -8.739 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.830 -10.893 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.655 -11.190 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.190 -11.632 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.135 -11.619 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.945 -13.859 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.513 -13.424 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.566 -13.437 -4.158 1.00 0.00 H new ATOM 736 N GLU A 48 -9.212 -6.641 -2.174 1.00 0.00 N ATOM 737 CA GLU A 48 -8.663 -5.323 -2.467 1.00 0.00 C ATOM 738 C GLU A 48 -7.272 -5.165 -1.859 1.00 0.00 C ATOM 739 O GLU A 48 -6.385 -4.558 -2.459 1.00 0.00 O ATOM 740 CB GLU A 48 -9.591 -4.229 -1.934 1.00 0.00 C ATOM 741 CG GLU A 48 -8.906 -2.885 -1.751 1.00 0.00 C ATOM 742 CD GLU A 48 -8.559 -2.223 -3.070 1.00 0.00 C ATOM 743 OE1 GLU A 48 -9.465 -2.076 -3.917 1.00 0.00 O ATOM 744 OE2 GLU A 48 -7.381 -1.852 -3.256 1.00 0.00 O ATOM 0 H GLU A 48 -9.831 -6.670 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.581 -5.225 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.429 -4.109 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.005 -4.549 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.557 -2.225 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.996 -3.022 -1.167 1.00 0.00 H new ATOM 751 N LYS A 49 -7.089 -5.716 -0.664 1.00 0.00 N ATOM 752 CA LYS A 49 -5.808 -5.638 0.027 1.00 0.00 C ATOM 753 C LYS A 49 -4.708 -6.312 -0.788 1.00 0.00 C ATOM 754 O LYS A 49 -3.606 -5.780 -0.920 1.00 0.00 O ATOM 755 CB LYS A 49 -5.908 -6.294 1.406 1.00 0.00 C ATOM 756 CG LYS A 49 -6.456 -5.369 2.480 1.00 0.00 C ATOM 757 CD LYS A 49 -6.532 -6.065 3.829 1.00 0.00 C ATOM 758 CE LYS A 49 -7.443 -5.318 4.791 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.648 -6.072 6.059 1.00 0.00 N ATOM 0 H LYS A 49 -7.813 -6.222 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.553 -4.585 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.547 -7.174 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.920 -6.641 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.821 -4.486 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.448 -5.023 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.899 -7.082 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.533 -6.141 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.013 -4.342 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.407 -5.140 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.274 -5.530 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.082 -6.994 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.731 -6.220 6.527 1.00 0.00 H new ATOM 773 N PHE A 50 -5.016 -7.483 -1.334 1.00 0.00 N ATOM 774 CA PHE A 50 -4.054 -8.229 -2.137 1.00 0.00 C ATOM 775 C PHE A 50 -3.638 -7.429 -3.369 1.00 0.00 C ATOM 776 O PHE A 50 -2.451 -7.311 -3.673 1.00 0.00 O ATOM 777 CB PHE A 50 -4.648 -9.573 -2.565 1.00 0.00 C ATOM 778 CG PHE A 50 -3.625 -10.540 -3.088 1.00 0.00 C ATOM 779 CD1 PHE A 50 -2.941 -11.380 -2.225 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.348 -10.611 -4.444 1.00 0.00 C ATOM 781 CE1 PHE A 50 -1.999 -12.271 -2.704 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.408 -11.499 -4.929 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.733 -12.331 -4.058 1.00 0.00 C ATOM 0 H PHE A 50 -5.924 -7.936 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.170 -8.409 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.160 -10.023 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.400 -9.400 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.146 -11.338 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.874 -9.964 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.472 -12.920 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.201 -11.543 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.998 -13.027 -4.435 1.00 0.00 H new ATOM 793 N SER A 51 -4.624 -6.883 -4.073 1.00 0.00 N ATOM 794 CA SER A 51 -4.362 -6.099 -5.274 1.00 0.00 C ATOM 795 C SER A 51 -3.266 -5.067 -5.020 1.00 0.00 C ATOM 796 O SER A 51 -2.378 -4.873 -5.850 1.00 0.00 O ATOM 797 CB SER A 51 -5.639 -5.398 -5.741 1.00 0.00 C ATOM 798 OG SER A 51 -5.548 -5.026 -7.105 1.00 0.00 O ATOM 0 H SER A 51 -5.611 -6.969 -3.833 1.00 0.00 H new ATOM 0 HA SER A 51 -4.024 -6.780 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.494 -6.059 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.815 -4.512 -5.130 1.00 0.00 H new ATOM 0 HG SER A 51 -6.377 -4.582 -7.379 1.00 0.00 H new ATOM 804 N GLN A 52 -3.338 -4.409 -3.868 1.00 0.00 N ATOM 805 CA GLN A 52 -2.353 -3.397 -3.504 1.00 0.00 C ATOM 806 C GLN A 52 -0.978 -4.023 -3.301 1.00 0.00 C ATOM 807 O GLN A 52 0.029 -3.510 -3.791 1.00 0.00 O ATOM 808 CB GLN A 52 -2.787 -2.666 -2.233 1.00 0.00 C ATOM 809 CG GLN A 52 -4.057 -1.849 -2.404 1.00 0.00 C ATOM 810 CD GLN A 52 -3.829 -0.574 -3.192 1.00 0.00 C ATOM 811 OE1 GLN A 52 -3.013 0.266 -2.813 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.551 -0.423 -4.296 1.00 0.00 N ATOM 0 H GLN A 52 -4.067 -4.558 -3.171 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.287 -2.680 -4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.939 -3.396 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.981 -2.006 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.809 -2.455 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.458 -1.598 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.216 -1.145 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.440 0.415 -4.867 1.00 0.00 H new ATOM 821 N LEU A 53 -0.941 -5.135 -2.575 1.00 0.00 N ATOM 822 CA LEU A 53 0.311 -5.833 -2.305 1.00 0.00 C ATOM 823 C LEU A 53 1.078 -6.094 -3.598 1.00 0.00 C ATOM 824 O LEU A 53 2.206 -5.633 -3.766 1.00 0.00 O ATOM 825 CB LEU A 53 0.037 -7.154 -1.585 1.00 0.00 C ATOM 826 CG LEU A 53 -0.298 -7.051 -0.097 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.722 -8.405 0.450 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.891 -6.508 0.681 1.00 0.00 C ATOM 0 H LEU A 53 -1.765 -5.573 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 53 0.922 -5.198 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.790 -7.655 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.913 -7.794 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.131 -6.358 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.956 -8.312 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.604 -8.755 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.090 -9.121 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.634 -6.441 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.743 -7.176 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.149 -5.517 0.307 1.00 0.00 H new ATOM 840 N ALA A 54 0.456 -6.835 -4.509 1.00 0.00 N ATOM 841 CA ALA A 54 1.078 -7.154 -5.788 1.00 0.00 C ATOM 842 C ALA A 54 1.668 -5.907 -6.437 1.00 0.00 C ATOM 843 O ALA A 54 2.854 -5.870 -6.765 1.00 0.00 O ATOM 844 CB ALA A 54 0.066 -7.807 -6.718 1.00 0.00 C ATOM 0 H ALA A 54 -0.478 -7.226 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 54 1.892 -7.856 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.544 -8.040 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.306 -8.726 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.766 -7.124 -6.888 1.00 0.00 H new ATOM 850 N GLU A 55 0.834 -4.889 -6.621 1.00 0.00 N ATOM 851 CA GLU A 55 1.275 -3.641 -7.233 1.00 0.00 C ATOM 852 C GLU A 55 2.520 -3.103 -6.534 1.00 0.00 C ATOM 853 O GLU A 55 3.546 -2.864 -7.169 1.00 0.00 O ATOM 854 CB GLU A 55 0.156 -2.599 -7.181 1.00 0.00 C ATOM 855 CG GLU A 55 0.595 -1.213 -7.624 1.00 0.00 C ATOM 856 CD GLU A 55 -0.414 -0.139 -7.264 1.00 0.00 C ATOM 857 OE1 GLU A 55 -0.734 -0.005 -6.064 1.00 0.00 O ATOM 858 OE2 GLU A 55 -0.883 0.566 -8.181 1.00 0.00 O ATOM 0 H GLU A 55 -0.151 -4.904 -6.355 1.00 0.00 H new ATOM 0 HA GLU A 55 1.524 -3.844 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.667 -2.930 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.228 -2.541 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.554 -0.975 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.751 -1.213 -8.703 1.00 0.00 H new ATOM 865 N ALA A 56 2.420 -2.915 -5.222 1.00 0.00 N ATOM 866 CA ALA A 56 3.538 -2.406 -4.437 1.00 0.00 C ATOM 867 C ALA A 56 4.812 -3.193 -4.722 1.00 0.00 C ATOM 868 O ALA A 56 5.891 -2.617 -4.861 1.00 0.00 O ATOM 869 CB ALA A 56 3.205 -2.456 -2.953 1.00 0.00 C ATOM 0 H ALA A 56 1.577 -3.107 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 56 3.711 -1.369 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.048 -2.073 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.324 -1.844 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.004 -3.486 -2.660 1.00 0.00 H new ATOM 875 N TYR A 57 4.681 -4.512 -4.807 1.00 0.00 N ATOM 876 CA TYR A 57 5.823 -5.378 -5.072 1.00 0.00 C ATOM 877 C TYR A 57 6.352 -5.165 -6.488 1.00 0.00 C ATOM 878 O TYR A 57 7.558 -5.053 -6.700 1.00 0.00 O ATOM 879 CB TYR A 57 5.434 -6.845 -4.877 1.00 0.00 C ATOM 880 CG TYR A 57 6.460 -7.820 -5.409 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.709 -7.939 -4.813 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.180 -8.622 -6.508 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.650 -8.827 -5.296 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.114 -9.515 -6.997 1.00 0.00 C ATOM 885 CZ TYR A 57 8.348 -9.613 -6.388 1.00 0.00 C ATOM 886 OH TYR A 57 9.282 -10.501 -6.872 1.00 0.00 O ATOM 0 H TYR A 57 3.795 -5.005 -4.696 1.00 0.00 H new ATOM 0 HA TYR A 57 6.612 -5.121 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.283 -7.034 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.480 -7.028 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.949 -7.326 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.216 -8.546 -6.988 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.617 -8.905 -4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.879 -10.133 -7.851 1.00 0.00 H new ATOM 0 HH TYR A 57 8.911 -10.978 -7.643 1.00 0.00 H new ATOM 896 N GLU A 58 5.438 -5.109 -7.451 1.00 0.00 N ATOM 897 CA GLU A 58 5.811 -4.909 -8.847 1.00 0.00 C ATOM 898 C GLU A 58 6.549 -3.586 -9.028 1.00 0.00 C ATOM 899 O GLU A 58 7.504 -3.495 -9.800 1.00 0.00 O ATOM 900 CB GLU A 58 4.569 -4.940 -9.740 1.00 0.00 C ATOM 901 CG GLU A 58 4.887 -4.934 -11.225 1.00 0.00 C ATOM 902 CD GLU A 58 5.611 -6.190 -11.672 1.00 0.00 C ATOM 903 OE1 GLU A 58 5.048 -7.291 -11.499 1.00 0.00 O ATOM 904 OE2 GLU A 58 6.739 -6.071 -12.194 1.00 0.00 O ATOM 0 H GLU A 58 4.435 -5.199 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 58 6.478 -5.720 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.985 -5.830 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.943 -4.078 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.961 -4.832 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.500 -4.063 -11.458 1.00 0.00 H new ATOM 911 N VAL A 59 6.098 -2.561 -8.312 1.00 0.00 N ATOM 912 CA VAL A 59 6.714 -1.242 -8.393 1.00 0.00 C ATOM 913 C VAL A 59 8.044 -1.210 -7.648 1.00 0.00 C ATOM 914 O VAL A 59 9.089 -0.918 -8.232 1.00 0.00 O ATOM 915 CB VAL A 59 5.789 -0.154 -7.816 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.521 1.177 -7.727 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.530 -0.024 -8.659 1.00 0.00 C ATOM 0 H VAL A 59 5.308 -2.619 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 59 6.887 -1.038 -9.450 1.00 0.00 H new ATOM 0 HB VAL A 59 5.495 -0.448 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.852 1.934 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.390 1.071 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.846 1.481 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.888 0.749 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.802 0.247 -9.679 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.997 -0.975 -8.666 1.00 0.00 H new ATOM 927 N LEU A 60 7.999 -1.512 -6.355 1.00 0.00 N ATOM 928 CA LEU A 60 9.201 -1.520 -5.529 1.00 0.00 C ATOM 929 C LEU A 60 10.275 -2.415 -6.137 1.00 0.00 C ATOM 930 O LEU A 60 11.419 -1.997 -6.316 1.00 0.00 O ATOM 931 CB LEU A 60 8.868 -1.994 -4.113 1.00 0.00 C ATOM 932 CG LEU A 60 7.913 -1.105 -3.315 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.485 -1.799 -2.031 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.563 0.236 -3.008 1.00 0.00 C ATOM 0 H LEU A 60 7.143 -1.755 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 60 9.586 -0.501 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.435 -2.992 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.799 -2.087 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 60 7.024 -0.925 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.806 -1.151 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.979 -2.733 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.364 -2.010 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.869 0.855 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.469 0.076 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.818 0.739 -3.941 1.00 0.00 H new ATOM 946 N SER A 61 9.898 -3.649 -6.457 1.00 0.00 N ATOM 947 CA SER A 61 10.830 -4.605 -7.044 1.00 0.00 C ATOM 948 C SER A 61 11.528 -4.005 -8.261 1.00 0.00 C ATOM 949 O SER A 61 12.747 -4.103 -8.402 1.00 0.00 O ATOM 950 CB SER A 61 10.095 -5.886 -7.443 1.00 0.00 C ATOM 951 OG SER A 61 9.258 -5.665 -8.565 1.00 0.00 O ATOM 0 H SER A 61 8.954 -4.010 -6.320 1.00 0.00 H new ATOM 0 HA SER A 61 11.585 -4.846 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.819 -6.668 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.497 -6.243 -6.604 1.00 0.00 H new ATOM 0 HG SER A 61 8.400 -5.298 -8.266 1.00 0.00 H new ATOM 957 N ASP A 62 10.746 -3.385 -9.138 1.00 0.00 N ATOM 958 CA ASP A 62 11.287 -2.768 -10.343 1.00 0.00 C ATOM 959 C ASP A 62 12.074 -1.507 -10.001 1.00 0.00 C ATOM 960 O ASP A 62 11.513 -0.530 -9.505 1.00 0.00 O ATOM 961 CB ASP A 62 10.159 -2.432 -11.320 1.00 0.00 C ATOM 962 CG ASP A 62 10.634 -2.390 -12.759 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.779 -3.471 -13.368 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.858 -1.277 -13.278 1.00 0.00 O ATOM 0 H ASP A 62 9.735 -3.296 -9.037 1.00 0.00 H new ATOM 0 HA ASP A 62 11.964 -3.480 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.366 -3.173 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.727 -1.467 -11.054 1.00 0.00 H new ATOM 969 N GLU A 63 13.376 -1.536 -10.269 1.00 0.00 N ATOM 970 CA GLU A 63 14.239 -0.396 -9.988 1.00 0.00 C ATOM 971 C GLU A 63 13.637 0.892 -10.542 1.00 0.00 C ATOM 972 O GLU A 63 13.708 1.947 -9.910 1.00 0.00 O ATOM 973 CB GLU A 63 15.629 -0.620 -10.586 1.00 0.00 C ATOM 974 CG GLU A 63 16.170 -2.022 -10.360 1.00 0.00 C ATOM 975 CD GLU A 63 16.065 -2.462 -8.912 1.00 0.00 C ATOM 976 OE1 GLU A 63 14.973 -2.912 -8.507 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.075 -2.355 -8.186 1.00 0.00 O ATOM 0 H GLU A 63 13.856 -2.337 -10.680 1.00 0.00 H new ATOM 0 HA GLU A 63 14.328 -0.299 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.590 -0.423 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.322 0.102 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.623 -2.724 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.214 -2.059 -10.672 1.00 0.00 H new ATOM 984 N VAL A 64 13.044 0.799 -11.728 1.00 0.00 N ATOM 985 CA VAL A 64 12.428 1.955 -12.368 1.00 0.00 C ATOM 986 C VAL A 64 11.203 2.426 -11.592 1.00 0.00 C ATOM 987 O VAL A 64 11.218 3.489 -10.971 1.00 0.00 O ATOM 988 CB VAL A 64 12.015 1.640 -13.818 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.526 2.898 -14.519 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.173 1.012 -14.577 1.00 0.00 C ATOM 0 H VAL A 64 12.977 -0.066 -12.265 1.00 0.00 H new ATOM 0 HA VAL A 64 13.176 2.748 -12.376 1.00 0.00 H new ATOM 0 HB VAL A 64 11.194 0.923 -13.796 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.239 2.656 -15.542 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.665 3.300 -13.986 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.324 3.641 -14.532 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.863 0.796 -15.600 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.016 1.703 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.471 0.086 -14.085 1.00 0.00 H new ATOM 1000 N LYS A 65 10.142 1.627 -11.631 1.00 0.00 N ATOM 1001 CA LYS A 65 8.907 1.959 -10.931 1.00 0.00 C ATOM 1002 C LYS A 65 9.201 2.472 -9.525 1.00 0.00 C ATOM 1003 O LYS A 65 8.719 3.534 -9.129 1.00 0.00 O ATOM 1004 CB LYS A 65 7.993 0.734 -10.857 1.00 0.00 C ATOM 1005 CG LYS A 65 7.655 0.145 -12.216 1.00 0.00 C ATOM 1006 CD LYS A 65 6.537 -0.879 -12.117 1.00 0.00 C ATOM 1007 CE LYS A 65 6.230 -1.502 -13.471 1.00 0.00 C ATOM 1008 NZ LYS A 65 7.157 -2.624 -13.787 1.00 0.00 N ATOM 0 H LYS A 65 10.113 0.744 -12.141 1.00 0.00 H new ATOM 0 HA LYS A 65 8.403 2.748 -11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.474 -0.031 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.069 1.011 -10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.359 0.944 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.542 -0.324 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.819 -1.660 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.640 -0.402 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.203 -1.866 -13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.304 -0.740 -14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.916 -3.022 -14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.135 -2.272 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.068 -3.363 -13.060 1.00 0.00 H new ATOM 1022 N ARG A 66 9.994 1.713 -8.776 1.00 0.00 N ATOM 1023 CA ARG A 66 10.352 2.092 -7.414 1.00 0.00 C ATOM 1024 C ARG A 66 10.847 3.535 -7.364 1.00 0.00 C ATOM 1025 O ARG A 66 10.264 4.380 -6.684 1.00 0.00 O ATOM 1026 CB ARG A 66 11.428 1.153 -6.866 1.00 0.00 C ATOM 1027 CG ARG A 66 11.712 1.351 -5.387 1.00 0.00 C ATOM 1028 CD ARG A 66 13.145 0.976 -5.040 1.00 0.00 C ATOM 1029 NE ARG A 66 13.510 1.398 -3.690 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.702 1.177 -3.148 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.641 0.544 -3.838 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.958 1.592 -1.914 1.00 0.00 N ATOM 0 H ARG A 66 10.401 0.832 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 66 9.459 2.010 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.118 0.122 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.350 1.303 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.531 2.391 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.023 0.745 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.269 -0.103 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.824 1.434 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 66 12.811 1.889 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.449 0.225 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.556 0.376 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.239 2.081 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.874 1.422 -1.498 1.00 0.00 H new ATOM 1046 N LYS A 67 11.927 3.810 -8.087 1.00 0.00 N ATOM 1047 CA LYS A 67 12.501 5.150 -8.127 1.00 0.00 C ATOM 1048 C LYS A 67 11.420 6.198 -8.370 1.00 0.00 C ATOM 1049 O LYS A 67 11.323 7.183 -7.638 1.00 0.00 O ATOM 1050 CB LYS A 67 13.567 5.238 -9.221 1.00 0.00 C ATOM 1051 CG LYS A 67 14.162 6.626 -9.380 1.00 0.00 C ATOM 1052 CD LYS A 67 15.264 6.644 -10.427 1.00 0.00 C ATOM 1053 CE LYS A 67 16.015 7.967 -10.422 1.00 0.00 C ATOM 1054 NZ LYS A 67 16.858 8.130 -11.638 1.00 0.00 N ATOM 0 H LYS A 67 12.423 3.122 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 67 12.964 5.349 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.367 4.533 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.128 4.929 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.378 7.329 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.562 6.963 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.961 5.828 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.833 6.472 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.302 8.789 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.644 8.024 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.353 9.043 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.555 7.360 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.255 8.101 -12.485 1.00 0.00 H new ATOM 1068 N GLN A 68 10.610 5.979 -9.400 1.00 0.00 N ATOM 1069 CA GLN A 68 9.536 6.905 -9.738 1.00 0.00 C ATOM 1070 C GLN A 68 8.604 7.114 -8.549 1.00 0.00 C ATOM 1071 O GLN A 68 7.911 8.128 -8.461 1.00 0.00 O ATOM 1072 CB GLN A 68 8.743 6.384 -10.937 1.00 0.00 C ATOM 1073 CG GLN A 68 9.567 6.272 -12.209 1.00 0.00 C ATOM 1074 CD GLN A 68 8.728 5.910 -13.419 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.132 6.778 -14.057 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.677 4.623 -13.741 1.00 0.00 N ATOM 0 H GLN A 68 10.677 5.168 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 68 9.985 7.864 -9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.332 5.404 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.898 7.048 -11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.074 7.219 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.342 5.518 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.187 3.937 -13.184 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.128 4.320 -14.545 1.00 0.00 H new ATOM 1085 N TYR A 69 8.592 6.149 -7.636 1.00 0.00 N ATOM 1086 CA TYR A 69 7.742 6.226 -6.454 1.00 0.00 C ATOM 1087 C TYR A 69 8.501 6.830 -5.276 1.00 0.00 C ATOM 1088 O TYR A 69 7.905 7.420 -4.375 1.00 0.00 O ATOM 1089 CB TYR A 69 7.223 4.836 -6.081 1.00 0.00 C ATOM 1090 CG TYR A 69 6.921 4.677 -4.608 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.964 5.468 -3.985 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.594 3.734 -3.840 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.686 5.326 -2.640 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.321 3.584 -2.494 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.367 4.383 -1.898 1.00 0.00 C ATOM 1096 OH TYR A 69 6.092 4.237 -0.558 1.00 0.00 O ATOM 0 H TYR A 69 9.161 5.304 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 69 6.896 6.872 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.318 4.630 -6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.962 4.091 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.428 6.207 -4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.343 3.108 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.939 5.950 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.851 2.845 -1.911 1.00 0.00 H new ATOM 0 HH TYR A 69 6.883 3.887 -0.098 1.00 0.00 H new ATOM 1106 N ASP A 70 9.821 6.677 -5.290 1.00 0.00 N ATOM 1107 CA ASP A 70 10.664 7.207 -4.226 1.00 0.00 C ATOM 1108 C ASP A 70 10.582 8.730 -4.175 1.00 0.00 C ATOM 1109 O ASP A 70 10.621 9.328 -3.101 1.00 0.00 O ATOM 1110 CB ASP A 70 12.115 6.769 -4.428 1.00 0.00 C ATOM 1111 CG ASP A 70 12.902 7.747 -5.278 1.00 0.00 C ATOM 1112 OD1 ASP A 70 13.029 8.920 -4.869 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.391 7.339 -6.353 1.00 0.00 O ATOM 0 H ASP A 70 10.330 6.190 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 70 10.302 6.809 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.599 6.665 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.133 5.786 -4.899 1.00 0.00 H new