USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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 MET CE :methyl 180:sc= -1.04 (180deg=-1.04) USER MOD Single : A 10 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.363 (180deg=-0.519) USER MOD Single : A 19 LYS NZ :NH3+ -142:sc=-0.00878 (180deg=-0.313) USER MOD Single : A 24 TYR OH : rot 175:sc= -1.06 USER MOD Single : A 25 GLN : amide:sc=-0.000987 K(o=-0.00099,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00172) USER MOD Single : A 47 ASN : amide:sc= 0.77 K(o=0.77,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 0.175 (180deg=-0.44) USER MOD Single : A 68 LYS NZ :NH3+ 147:sc= -2.3! (180deg=-3.86!) USER MOD Single : A 69 TYR OH : rot -127:sc= 1.24 USER MOD Single : A 71 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.29) USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 2.51 (180deg=0.965) USER MOD Single : A 74 GLN : amide:sc= 0.00464 K(o=0.0046,f=-8.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 88 GLN : amide:sc= -2.25! C(o=-2.2!,f=-10!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 92 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 93 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-6.7!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= -0.0137 (180deg=-0.108) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0634 (180deg=-0.387) USER MOD Single : A 103 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 105 SER OG : rot 91:sc= 1.28 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 84:sc= 0.0913 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0.986) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.115 9.611 -10.001 1.00 0.00 N ATOM 82 CA LEU A 6 -0.428 9.552 -8.711 1.00 0.00 C ATOM 83 C LEU A 6 -1.409 9.243 -7.581 1.00 0.00 C ATOM 84 O LEU A 6 -1.155 8.387 -6.729 1.00 0.00 O ATOM 85 CB LEU A 6 0.288 10.874 -8.431 1.00 0.00 C ATOM 86 CG LEU A 6 1.039 10.942 -7.098 1.00 0.00 C ATOM 87 CD1 LEU A 6 2.163 9.916 -7.062 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.586 12.340 -6.871 1.00 0.00 C ATOM 0 HA LEU A 6 0.308 8.749 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.996 11.063 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.447 11.679 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 6 0.339 10.709 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.684 9.981 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.747 8.916 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.864 10.116 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.117 12.373 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.271 12.598 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.763 13.054 -6.852 1.00 0.00 H new ATOM 100 N LEU A 7 -2.533 9.940 -7.587 1.00 0.00 N ATOM 101 CA LEU A 7 -3.562 9.747 -6.581 1.00 0.00 C ATOM 102 C LEU A 7 -4.221 8.388 -6.756 1.00 0.00 C ATOM 103 O LEU A 7 -4.476 7.696 -5.783 1.00 0.00 O ATOM 104 CB LEU A 7 -4.609 10.862 -6.661 1.00 0.00 C ATOM 105 CG LEU A 7 -5.744 10.767 -5.637 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.203 10.870 -4.218 1.00 0.00 C ATOM 107 CD2 LEU A 7 -6.777 11.851 -5.892 1.00 0.00 C ATOM 0 H LEU A 7 -2.756 10.650 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.095 9.785 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.106 11.820 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.043 10.860 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.224 9.795 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.027 10.800 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.499 10.058 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.695 11.826 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.578 11.771 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.305 12.830 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.191 11.731 -6.893 1.00 0.00 H new ATOM 119 N GLU A 8 -4.469 8.010 -8.007 1.00 0.00 N ATOM 120 CA GLU A 8 -5.092 6.724 -8.325 1.00 0.00 C ATOM 121 C GLU A 8 -4.307 5.565 -7.716 1.00 0.00 C ATOM 122 O GLU A 8 -4.890 4.653 -7.138 1.00 0.00 O ATOM 123 CB GLU A 8 -5.170 6.546 -9.844 1.00 0.00 C ATOM 124 CG GLU A 8 -6.579 6.368 -10.384 1.00 0.00 C ATOM 125 CD GLU A 8 -7.240 5.100 -9.889 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.756 4.000 -10.229 1.00 0.00 O ATOM 127 OE2 GLU A 8 -8.266 5.198 -9.182 1.00 0.00 O ATOM 0 H GLU A 8 -4.247 8.579 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.096 6.721 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.718 7.414 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.573 5.679 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.186 7.226 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.547 6.354 -11.473 1.00 0.00 H new ATOM 134 N MET A 9 -2.983 5.606 -7.846 1.00 0.00 N ATOM 135 CA MET A 9 -2.139 4.551 -7.293 1.00 0.00 C ATOM 136 C MET A 9 -2.266 4.503 -5.775 1.00 0.00 C ATOM 137 O MET A 9 -2.337 3.426 -5.184 1.00 0.00 O ATOM 138 CB MET A 9 -0.676 4.749 -7.697 1.00 0.00 C ATOM 139 CG MET A 9 -0.437 4.594 -9.190 1.00 0.00 C ATOM 140 SD MET A 9 1.310 4.666 -9.640 1.00 0.00 S ATOM 141 CE MET A 9 1.751 6.305 -9.063 1.00 0.00 C ATOM 0 H MET A 9 -2.476 6.351 -8.324 1.00 0.00 H new ATOM 0 HA MET A 9 -2.480 3.600 -7.702 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.352 5.742 -7.386 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.058 4.029 -7.161 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.852 3.642 -9.521 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.975 5.379 -9.721 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.804 6.493 -9.272 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.140 7.048 -9.576 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.577 6.372 -7.989 1.00 0.00 H new ATOM 151 N THR A 10 -2.318 5.674 -5.152 1.00 0.00 N ATOM 152 CA THR A 10 -2.494 5.768 -3.708 1.00 0.00 C ATOM 153 C THR A 10 -3.867 5.225 -3.310 1.00 0.00 C ATOM 154 O THR A 10 -3.983 4.392 -2.411 1.00 0.00 O ATOM 155 CB THR A 10 -2.364 7.230 -3.232 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.170 7.815 -3.774 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.330 7.307 -1.712 1.00 0.00 C ATOM 0 H THR A 10 -2.241 6.574 -5.626 1.00 0.00 H new ATOM 0 HA THR A 10 -1.714 5.173 -3.233 1.00 0.00 H new ATOM 0 HB THR A 10 -3.234 7.783 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.315 8.041 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.238 8.348 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.250 6.888 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.477 6.740 -1.338 1.00 0.00 H new ATOM 165 N GLU A 11 -4.890 5.691 -4.016 1.00 0.00 N ATOM 166 CA GLU A 11 -6.262 5.243 -3.814 1.00 0.00 C ATOM 167 C GLU A 11 -6.361 3.726 -3.952 1.00 0.00 C ATOM 168 O GLU A 11 -6.990 3.051 -3.135 1.00 0.00 O ATOM 169 CB GLU A 11 -7.178 5.923 -4.841 1.00 0.00 C ATOM 170 CG GLU A 11 -7.348 7.421 -4.625 1.00 0.00 C ATOM 171 CD GLU A 11 -8.063 7.761 -3.333 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.309 7.702 -3.306 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.389 8.113 -2.342 1.00 0.00 O ATOM 0 H GLU A 11 -4.790 6.394 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.576 5.516 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.775 5.754 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.159 5.448 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.367 7.895 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.905 7.841 -5.462 1.00 0.00 H new ATOM 180 N GLN A 12 -5.718 3.198 -4.985 1.00 0.00 N ATOM 181 CA GLN A 12 -5.725 1.768 -5.243 1.00 0.00 C ATOM 182 C GLN A 12 -5.022 1.006 -4.127 1.00 0.00 C ATOM 183 O GLN A 12 -5.511 -0.025 -3.677 1.00 0.00 O ATOM 184 CB GLN A 12 -5.065 1.463 -6.587 1.00 0.00 C ATOM 185 CG GLN A 12 -5.086 -0.013 -6.946 1.00 0.00 C ATOM 186 CD GLN A 12 -4.578 -0.290 -8.346 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.728 0.435 -8.871 1.00 0.00 O ATOM 188 NE2 GLN A 12 -5.103 -1.337 -8.967 1.00 0.00 N ATOM 0 H GLN A 12 -5.183 3.744 -5.660 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.764 1.439 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.572 2.027 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.032 1.809 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.477 -0.564 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.105 -0.389 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.803 -1.910 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.807 -1.569 -9.915 1.00 0.00 H new ATOM 197 N MET A 13 -3.886 1.525 -3.672 1.00 0.00 N ATOM 198 CA MET A 13 -3.137 0.893 -2.586 1.00 0.00 C ATOM 199 C MET A 13 -3.979 0.808 -1.317 1.00 0.00 C ATOM 200 O MET A 13 -3.954 -0.207 -0.616 1.00 0.00 O ATOM 201 CB MET A 13 -1.839 1.651 -2.300 1.00 0.00 C ATOM 202 CG MET A 13 -0.748 1.397 -3.327 1.00 0.00 C ATOM 203 SD MET A 13 0.798 2.224 -2.922 1.00 0.00 S ATOM 204 CE MET A 13 1.848 1.637 -4.250 1.00 0.00 C ATOM 0 H MET A 13 -3.463 2.379 -4.036 1.00 0.00 H new ATOM 0 HA MET A 13 -2.887 -0.118 -2.907 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.052 2.719 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.472 1.367 -1.314 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.571 0.324 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.090 1.735 -4.305 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.785 2.193 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.055 0.576 -4.108 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.343 1.784 -5.205 1.00 0.00 H new ATOM 214 N ILE A 14 -4.730 1.870 -1.035 1.00 0.00 N ATOM 215 CA ILE A 14 -5.629 1.888 0.112 1.00 0.00 C ATOM 216 C ILE A 14 -6.663 0.772 -0.011 1.00 0.00 C ATOM 217 O ILE A 14 -6.904 0.022 0.937 1.00 0.00 O ATOM 218 CB ILE A 14 -6.350 3.251 0.243 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.322 4.370 0.441 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.347 3.225 1.398 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.930 5.752 0.548 1.00 0.00 C ATOM 0 H ILE A 14 -4.733 2.728 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.027 1.731 1.007 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.904 3.443 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.747 4.166 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.620 4.356 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.843 4.193 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.091 2.449 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.820 3.015 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.138 6.488 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.481 5.979 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.610 5.786 1.399 1.00 0.00 H new ATOM 233 N GLU A 15 -7.247 0.654 -1.197 1.00 0.00 N ATOM 234 CA GLU A 15 -8.240 -0.375 -1.469 1.00 0.00 C ATOM 235 C GLU A 15 -7.621 -1.770 -1.395 1.00 0.00 C ATOM 236 O GLU A 15 -8.229 -2.689 -0.853 1.00 0.00 O ATOM 237 CB GLU A 15 -8.862 -0.145 -2.846 1.00 0.00 C ATOM 238 CG GLU A 15 -9.903 -1.181 -3.230 1.00 0.00 C ATOM 239 CD GLU A 15 -10.509 -0.915 -4.587 1.00 0.00 C ATOM 240 OE1 GLU A 15 -9.824 -1.142 -5.606 1.00 0.00 O ATOM 241 OE2 GLU A 15 -11.683 -0.493 -4.643 1.00 0.00 O ATOM 0 H GLU A 15 -7.047 1.263 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.018 -0.311 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.322 0.843 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.071 -0.144 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.445 -2.170 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.693 -1.194 -2.479 1.00 0.00 H new ATOM 248 N VAL A 16 -6.415 -1.922 -1.935 1.00 0.00 N ATOM 249 CA VAL A 16 -5.710 -3.204 -1.890 1.00 0.00 C ATOM 250 C VAL A 16 -5.502 -3.649 -0.446 1.00 0.00 C ATOM 251 O VAL A 16 -5.712 -4.815 -0.109 1.00 0.00 O ATOM 252 CB VAL A 16 -4.339 -3.142 -2.612 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.526 -4.405 -2.359 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.526 -2.937 -4.107 1.00 0.00 C ATOM 0 H VAL A 16 -5.905 -1.176 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.335 -3.928 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.791 -2.292 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.570 -4.332 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.351 -4.517 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.075 -5.271 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.551 -2.896 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.103 -3.765 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.058 -2.002 -4.282 1.00 0.00 H new ATOM 264 N ALA A 17 -5.110 -2.705 0.405 1.00 0.00 N ATOM 265 CA ALA A 17 -4.911 -2.983 1.823 1.00 0.00 C ATOM 266 C ALA A 17 -6.215 -3.430 2.475 1.00 0.00 C ATOM 267 O ALA A 17 -6.254 -4.443 3.174 1.00 0.00 O ATOM 268 CB ALA A 17 -4.351 -1.758 2.533 1.00 0.00 C ATOM 0 H ALA A 17 -4.924 -1.739 0.136 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.189 -3.795 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.209 -1.983 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.394 -1.485 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.049 -0.927 2.430 1.00 0.00 H new ATOM 274 N GLU A 18 -7.283 -2.680 2.228 1.00 0.00 N ATOM 275 CA GLU A 18 -8.592 -3.004 2.765 1.00 0.00 C ATOM 276 C GLU A 18 -9.097 -4.356 2.256 1.00 0.00 C ATOM 277 O GLU A 18 -9.644 -5.150 3.024 1.00 0.00 O ATOM 278 CB GLU A 18 -9.580 -1.893 2.419 1.00 0.00 C ATOM 279 CG GLU A 18 -9.321 -0.598 3.174 1.00 0.00 C ATOM 280 CD GLU A 18 -10.571 0.237 3.356 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.997 0.913 2.395 1.00 0.00 O ATOM 282 OE2 GLU A 18 -11.136 0.223 4.467 1.00 0.00 O ATOM 0 H GLU A 18 -7.263 -1.837 1.654 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.504 -3.083 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.534 -1.696 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.592 -2.236 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.900 -0.831 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.574 -0.013 2.637 1.00 0.00 H new ATOM 289 N LYS A 19 -8.910 -4.617 0.966 1.00 0.00 N ATOM 290 CA LYS A 19 -9.299 -5.896 0.380 1.00 0.00 C ATOM 291 C LYS A 19 -8.479 -7.034 0.979 1.00 0.00 C ATOM 292 O LYS A 19 -9.023 -8.071 1.351 1.00 0.00 O ATOM 293 CB LYS A 19 -9.118 -5.876 -1.141 1.00 0.00 C ATOM 294 CG LYS A 19 -10.136 -5.022 -1.885 1.00 0.00 C ATOM 295 CD LYS A 19 -11.540 -5.594 -1.772 1.00 0.00 C ATOM 296 CE LYS A 19 -12.528 -4.846 -2.657 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.587 -3.395 -2.330 1.00 0.00 N ATOM 0 H LYS A 19 -8.492 -3.961 0.307 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.352 -6.060 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.117 -5.510 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.177 -6.898 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.123 -4.008 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.855 -4.953 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.527 -6.647 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.871 -5.544 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.244 -4.970 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.520 -5.283 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.569 -3.061 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.246 -3.244 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.987 -2.865 -2.994 1.00 0.00 H new ATOM 311 N GLY A 20 -7.169 -6.823 1.078 1.00 0.00 N ATOM 312 CA GLY A 20 -6.281 -7.836 1.618 1.00 0.00 C ATOM 313 C GLY A 20 -6.585 -8.161 3.065 1.00 0.00 C ATOM 314 O GLY A 20 -6.493 -9.317 3.478 1.00 0.00 O ATOM 0 H GLY A 20 -6.705 -5.961 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.364 -8.743 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.250 -7.493 1.535 1.00 0.00 H new ATOM 318 N ALA A 21 -6.947 -7.141 3.833 1.00 0.00 N ATOM 319 CA ALA A 21 -7.293 -7.316 5.238 1.00 0.00 C ATOM 320 C ALA A 21 -8.490 -8.245 5.395 1.00 0.00 C ATOM 321 O ALA A 21 -8.472 -9.178 6.207 1.00 0.00 O ATOM 322 CB ALA A 21 -7.577 -5.972 5.890 1.00 0.00 C ATOM 0 H ALA A 21 -7.009 -6.178 3.504 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.440 -7.773 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.833 -6.123 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.692 -5.340 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.410 -5.488 5.379 1.00 0.00 H new ATOM 328 N ASP A 22 -9.523 -7.993 4.603 1.00 0.00 N ATOM 329 CA ASP A 22 -10.738 -8.795 4.661 1.00 0.00 C ATOM 330 C ASP A 22 -10.481 -10.186 4.096 1.00 0.00 C ATOM 331 O ASP A 22 -10.938 -11.188 4.648 1.00 0.00 O ATOM 332 CB ASP A 22 -11.863 -8.105 3.889 1.00 0.00 C ATOM 333 CG ASP A 22 -13.201 -8.772 4.114 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.702 -8.728 5.259 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.756 -9.343 3.155 1.00 0.00 O ATOM 0 H ASP A 22 -9.545 -7.241 3.914 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.042 -8.896 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.924 -7.060 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.629 -8.113 2.824 1.00 0.00 H new ATOM 340 N ARG A 23 -9.723 -10.238 3.004 1.00 0.00 N ATOM 341 CA ARG A 23 -9.364 -11.502 2.367 1.00 0.00 C ATOM 342 C ARG A 23 -8.582 -12.394 3.326 1.00 0.00 C ATOM 343 O ARG A 23 -8.826 -13.598 3.406 1.00 0.00 O ATOM 344 CB ARG A 23 -8.528 -11.247 1.111 1.00 0.00 C ATOM 345 CG ARG A 23 -8.144 -12.517 0.372 1.00 0.00 C ATOM 346 CD ARG A 23 -7.234 -12.229 -0.809 1.00 0.00 C ATOM 347 NE ARG A 23 -6.758 -13.460 -1.434 1.00 0.00 N ATOM 348 CZ ARG A 23 -5.521 -13.639 -1.892 1.00 0.00 C ATOM 349 NH1 ARG A 23 -4.635 -12.650 -1.845 1.00 0.00 N ATOM 350 NH2 ARG A 23 -5.176 -14.812 -2.409 1.00 0.00 N ATOM 0 H ARG A 23 -9.343 -9.413 2.539 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.288 -12.010 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.088 -10.599 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.621 -10.710 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.643 -13.200 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.045 -13.021 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.771 -11.631 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.382 -11.636 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.417 -14.233 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.901 -11.745 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.689 -12.795 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.857 -15.570 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.230 -14.955 -2.762 1.00 0.00 H new ATOM 364 N TYR A 24 -7.642 -11.796 4.051 1.00 0.00 N ATOM 365 CA TYR A 24 -6.836 -12.534 5.012 1.00 0.00 C ATOM 366 C TYR A 24 -7.712 -13.099 6.119 1.00 0.00 C ATOM 367 O TYR A 24 -7.460 -14.192 6.624 1.00 0.00 O ATOM 368 CB TYR A 24 -5.746 -11.644 5.610 1.00 0.00 C ATOM 369 CG TYR A 24 -4.873 -12.362 6.615 1.00 0.00 C ATOM 370 CD1 TYR A 24 -3.840 -13.187 6.195 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.094 -12.227 7.979 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.055 -13.862 7.107 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.309 -12.896 8.897 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.292 -13.714 8.454 1.00 0.00 C ATOM 375 OH TYR A 24 -2.515 -14.396 9.362 1.00 0.00 O ATOM 0 H TYR A 24 -7.421 -10.802 3.990 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.357 -13.359 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.120 -11.258 4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.212 -10.785 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.647 -13.303 5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.892 -11.589 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.257 -14.504 6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.491 -12.779 9.955 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.757 -14.121 10.271 1.00 0.00 H new ATOM 385 N GLN A 25 -8.752 -12.361 6.486 1.00 0.00 N ATOM 386 CA GLN A 25 -9.651 -12.805 7.543 1.00 0.00 C ATOM 387 C GLN A 25 -10.465 -14.009 7.063 1.00 0.00 C ATOM 388 O GLN A 25 -10.880 -14.851 7.860 1.00 0.00 O ATOM 389 CB GLN A 25 -10.565 -11.658 7.987 1.00 0.00 C ATOM 390 CG GLN A 25 -11.032 -11.767 9.434 1.00 0.00 C ATOM 391 CD GLN A 25 -12.451 -12.281 9.578 1.00 0.00 C ATOM 392 OE1 GLN A 25 -12.947 -13.032 8.743 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.111 -11.894 10.659 1.00 0.00 N ATOM 0 H GLN A 25 -8.992 -11.460 6.072 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.062 -13.112 8.407 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.037 -10.714 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.438 -11.628 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.358 -12.431 9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.960 -10.787 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.666 -11.269 11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.064 -12.221 10.819 1.00 0.00 H new ATOM 635 N LYS A 41 2.046 -14.825 -7.803 1.00 0.00 N ATOM 636 CA LYS A 41 3.139 -14.513 -8.726 1.00 0.00 C ATOM 637 C LYS A 41 2.976 -13.135 -9.402 1.00 0.00 C ATOM 638 O LYS A 41 3.811 -12.251 -9.195 1.00 0.00 O ATOM 639 CB LYS A 41 3.284 -15.626 -9.774 1.00 0.00 C ATOM 640 CG LYS A 41 4.357 -15.356 -10.817 1.00 0.00 C ATOM 641 CD LYS A 41 4.415 -16.466 -11.854 1.00 0.00 C ATOM 642 CE LYS A 41 5.343 -16.111 -13.003 1.00 0.00 C ATOM 643 NZ LYS A 41 6.763 -15.992 -12.574 1.00 0.00 N ATOM 0 HA LYS A 41 4.053 -14.459 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.513 -16.562 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.328 -15.763 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.156 -14.405 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.327 -15.262 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.755 -17.388 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.414 -16.657 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.264 -16.873 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.021 -15.169 -13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.357 -15.765 -13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.849 -15.235 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.077 -16.892 -12.158 1.00 0.00 H new ATOM 657 N PRO A 42 1.905 -12.906 -10.203 1.00 0.00 N ATOM 658 CA PRO A 42 1.763 -11.658 -10.970 1.00 0.00 C ATOM 659 C PRO A 42 1.448 -10.453 -10.087 1.00 0.00 C ATOM 660 O PRO A 42 1.624 -9.303 -10.498 1.00 0.00 O ATOM 661 CB PRO A 42 0.596 -11.949 -11.914 1.00 0.00 C ATOM 662 CG PRO A 42 -0.216 -12.977 -11.208 1.00 0.00 C ATOM 663 CD PRO A 42 0.758 -13.813 -10.424 1.00 0.00 C ATOM 0 HA PRO A 42 2.689 -11.394 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.012 -11.050 -12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.949 -12.317 -12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.948 -12.510 -10.549 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.772 -13.589 -11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.327 -14.150 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.054 -14.705 -10.976 1.00 0.00 H new ATOM 671 N ALA A 43 0.992 -10.722 -8.872 1.00 0.00 N ATOM 672 CA ALA A 43 0.642 -9.666 -7.937 1.00 0.00 C ATOM 673 C ALA A 43 1.886 -8.930 -7.458 1.00 0.00 C ATOM 674 O ALA A 43 1.857 -7.717 -7.238 1.00 0.00 O ATOM 675 CB ALA A 43 -0.124 -10.238 -6.757 1.00 0.00 C ATOM 0 H ALA A 43 0.856 -11.666 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 43 0.003 -8.950 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.379 -9.435 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.037 -10.715 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.494 -10.975 -6.245 1.00 0.00 H new ATOM 681 N VAL A 44 2.982 -9.670 -7.314 1.00 0.00 N ATOM 682 CA VAL A 44 4.247 -9.094 -6.874 1.00 0.00 C ATOM 683 C VAL A 44 4.743 -8.059 -7.878 1.00 0.00 C ATOM 684 O VAL A 44 5.013 -6.917 -7.517 1.00 0.00 O ATOM 685 CB VAL A 44 5.331 -10.178 -6.687 1.00 0.00 C ATOM 686 CG1 VAL A 44 6.650 -9.562 -6.244 1.00 0.00 C ATOM 687 CG2 VAL A 44 4.872 -11.229 -5.689 1.00 0.00 C ATOM 0 H VAL A 44 3.018 -10.673 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 44 4.064 -8.615 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 44 5.491 -10.662 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.395 -10.348 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.992 -8.853 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.509 -9.043 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.650 -11.983 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.677 -10.756 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.960 -11.702 -6.052 1.00 0.00 H new ATOM 697 N GLU A 45 4.835 -8.465 -9.142 1.00 0.00 N ATOM 698 CA GLU A 45 5.323 -7.596 -10.208 1.00 0.00 C ATOM 699 C GLU A 45 4.513 -6.305 -10.297 1.00 0.00 C ATOM 700 O GLU A 45 5.080 -5.222 -10.427 1.00 0.00 O ATOM 701 CB GLU A 45 5.282 -8.342 -11.541 1.00 0.00 C ATOM 702 CG GLU A 45 6.334 -9.436 -11.649 1.00 0.00 C ATOM 703 CD GLU A 45 6.201 -10.263 -12.911 1.00 0.00 C ATOM 704 OE1 GLU A 45 6.292 -9.691 -14.020 1.00 0.00 O ATOM 705 OE2 GLU A 45 6.014 -11.493 -12.799 1.00 0.00 O ATOM 0 H GLU A 45 4.575 -9.400 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 45 6.352 -7.321 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.294 -8.783 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.424 -7.629 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.325 -8.983 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.258 -10.092 -10.782 1.00 0.00 H new ATOM 712 N GLU A 46 3.193 -6.431 -10.203 1.00 0.00 N ATOM 713 CA GLU A 46 2.297 -5.281 -10.293 1.00 0.00 C ATOM 714 C GLU A 46 2.581 -4.282 -9.184 1.00 0.00 C ATOM 715 O GLU A 46 2.895 -3.118 -9.432 1.00 0.00 O ATOM 716 CB GLU A 46 0.852 -5.737 -10.165 1.00 0.00 C ATOM 717 CG GLU A 46 -0.147 -4.807 -10.832 1.00 0.00 C ATOM 718 CD GLU A 46 0.029 -4.750 -12.335 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.458 -5.671 -13.026 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.643 -3.786 -12.833 1.00 0.00 O ATOM 0 H GLU A 46 2.717 -7.322 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 46 2.463 -4.806 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.755 -6.732 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.601 -5.826 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.159 -5.139 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.038 -3.805 -10.418 1.00 0.00 H new ATOM 727 N ASN A 47 2.459 -4.758 -7.958 1.00 0.00 N ATOM 728 CA ASN A 47 2.613 -3.904 -6.785 1.00 0.00 C ATOM 729 C ASN A 47 4.051 -3.416 -6.624 1.00 0.00 C ATOM 730 O ASN A 47 4.281 -2.369 -6.030 1.00 0.00 O ATOM 731 CB ASN A 47 2.134 -4.619 -5.523 1.00 0.00 C ATOM 732 CG ASN A 47 0.621 -4.756 -5.488 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.081 -3.864 -5.020 1.00 0.00 O ATOM 734 ND2 ASN A 47 0.108 -5.869 -5.989 1.00 0.00 N ATOM 0 H ASN A 47 2.253 -5.734 -7.744 1.00 0.00 H new ATOM 0 HA ASN A 47 1.987 -3.025 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.589 -5.608 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.469 -4.068 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.903 -6.007 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.723 -6.588 -6.369 1.00 0.00 H new ATOM 741 N ASP A 48 5.012 -4.165 -7.153 1.00 0.00 N ATOM 742 CA ASP A 48 6.405 -3.715 -7.180 1.00 0.00 C ATOM 743 C ASP A 48 6.535 -2.497 -8.087 1.00 0.00 C ATOM 744 O ASP A 48 7.118 -1.481 -7.701 1.00 0.00 O ATOM 745 CB ASP A 48 7.327 -4.837 -7.665 1.00 0.00 C ATOM 746 CG ASP A 48 8.794 -4.443 -7.655 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.285 -3.917 -8.675 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.473 -4.677 -6.632 1.00 0.00 O ATOM 0 H ASP A 48 4.856 -5.084 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 48 6.704 -3.442 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.187 -5.714 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.040 -5.124 -8.677 1.00 0.00 H new ATOM 753 N GLU A 49 5.968 -2.602 -9.290 1.00 0.00 N ATOM 754 CA GLU A 49 5.915 -1.483 -10.224 1.00 0.00 C ATOM 755 C GLU A 49 5.216 -0.290 -9.588 1.00 0.00 C ATOM 756 O GLU A 49 5.705 0.841 -9.639 1.00 0.00 O ATOM 757 CB GLU A 49 5.167 -1.889 -11.486 1.00 0.00 C ATOM 758 CG GLU A 49 5.913 -2.894 -12.337 1.00 0.00 C ATOM 759 CD GLU A 49 7.110 -2.292 -13.040 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.913 -1.550 -14.026 1.00 0.00 O ATOM 761 OE2 GLU A 49 8.253 -2.565 -12.623 1.00 0.00 O ATOM 0 H GLU A 49 5.537 -3.458 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 49 6.937 -1.203 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.201 -2.309 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.967 -0.998 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.244 -3.721 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.233 -3.311 -13.080 1.00 0.00 H new ATOM 768 N LEU A 50 4.063 -0.561 -8.987 1.00 0.00 N ATOM 769 CA LEU A 50 3.279 0.464 -8.314 1.00 0.00 C ATOM 770 C LEU A 50 4.082 1.124 -7.197 1.00 0.00 C ATOM 771 O LEU A 50 4.146 2.345 -7.120 1.00 0.00 O ATOM 772 CB LEU A 50 1.998 -0.147 -7.738 1.00 0.00 C ATOM 773 CG LEU A 50 0.695 0.516 -8.188 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.470 0.301 -9.678 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.480 -0.021 -7.385 1.00 0.00 C ATOM 0 H LEU A 50 3.648 -1.492 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 50 3.019 1.227 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.963 -1.201 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.052 -0.103 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 50 0.774 1.588 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.462 0.780 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.298 0.736 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.412 -0.767 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.399 0.461 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.561 -1.098 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.323 0.188 -6.327 1.00 0.00 H new ATOM 787 N ALA A 51 4.693 0.310 -6.343 1.00 0.00 N ATOM 788 CA ALA A 51 5.455 0.817 -5.204 1.00 0.00 C ATOM 789 C ALA A 51 6.611 1.702 -5.656 1.00 0.00 C ATOM 790 O ALA A 51 6.872 2.749 -5.061 1.00 0.00 O ATOM 791 CB ALA A 51 5.976 -0.334 -4.357 1.00 0.00 C ATOM 0 H ALA A 51 4.676 -0.707 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 51 4.781 1.425 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.541 0.062 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.136 -0.923 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.624 -0.967 -4.963 1.00 0.00 H new ATOM 797 N ALA A 52 7.300 1.281 -6.709 1.00 0.00 N ATOM 798 CA ALA A 52 8.408 2.052 -7.254 1.00 0.00 C ATOM 799 C ALA A 52 7.921 3.411 -7.755 1.00 0.00 C ATOM 800 O ALA A 52 8.458 4.451 -7.375 1.00 0.00 O ATOM 801 CB ALA A 52 9.090 1.278 -8.373 1.00 0.00 C ATOM 0 H ALA A 52 7.110 0.409 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 52 9.136 2.223 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.917 1.867 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.471 0.334 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.371 1.078 -9.168 1.00 0.00 H new ATOM 807 N ARG A 53 6.883 3.388 -8.583 1.00 0.00 N ATOM 808 CA ARG A 53 6.299 4.591 -9.146 1.00 0.00 C ATOM 809 C ARG A 53 5.713 5.491 -8.061 1.00 0.00 C ATOM 810 O ARG A 53 5.819 6.717 -8.133 1.00 0.00 O ATOM 811 CB ARG A 53 5.209 4.177 -10.124 1.00 0.00 C ATOM 812 CG ARG A 53 5.705 3.851 -11.526 1.00 0.00 C ATOM 813 CD ARG A 53 5.943 5.107 -12.356 1.00 0.00 C ATOM 814 NE ARG A 53 7.167 5.825 -11.986 1.00 0.00 N ATOM 815 CZ ARG A 53 7.397 7.105 -12.292 1.00 0.00 C ATOM 816 NH1 ARG A 53 6.443 7.846 -12.845 1.00 0.00 N ATOM 817 NH2 ARG A 53 8.576 7.648 -12.028 1.00 0.00 N ATOM 0 H ARG A 53 6.423 2.528 -8.882 1.00 0.00 H new ATOM 0 HA ARG A 53 7.077 5.161 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.692 3.305 -9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.475 4.980 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.631 3.280 -11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.976 3.217 -12.030 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.996 4.833 -13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.090 5.776 -12.243 1.00 0.00 H new ATOM 0 HE ARG A 53 7.883 5.319 -11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.528 7.438 -13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.625 8.823 -13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.309 7.089 -11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.751 8.625 -12.262 1.00 0.00 H new ATOM 831 N TRP A 54 5.094 4.876 -7.063 1.00 0.00 N ATOM 832 CA TRP A 54 4.486 5.613 -5.962 1.00 0.00 C ATOM 833 C TRP A 54 5.560 6.317 -5.142 1.00 0.00 C ATOM 834 O TRP A 54 5.418 7.489 -4.798 1.00 0.00 O ATOM 835 CB TRP A 54 3.667 4.673 -5.072 1.00 0.00 C ATOM 836 CG TRP A 54 2.850 5.390 -4.043 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.699 6.087 -4.259 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.117 5.478 -2.638 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.235 6.609 -3.079 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.086 6.248 -2.067 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.126 4.981 -1.811 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.036 6.532 -0.704 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.076 5.263 -0.458 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.038 6.034 0.084 1.00 0.00 C ATOM 0 H TRP A 54 4.999 3.863 -6.993 1.00 0.00 H new ATOM 0 HA TRP A 54 3.815 6.364 -6.378 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.005 4.076 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.342 3.980 -4.571 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.222 6.210 -5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.393 7.174 -2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.930 4.388 -2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.236 7.124 -0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.850 4.883 0.192 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.029 6.239 1.144 1.00 0.00 H new ATOM 855 N ALA A 55 6.644 5.601 -4.853 1.00 0.00 N ATOM 856 CA ALA A 55 7.762 6.173 -4.116 1.00 0.00 C ATOM 857 C ALA A 55 8.344 7.360 -4.873 1.00 0.00 C ATOM 858 O ALA A 55 8.625 8.402 -4.287 1.00 0.00 O ATOM 859 CB ALA A 55 8.835 5.120 -3.869 1.00 0.00 C ATOM 0 H ALA A 55 6.770 4.624 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 55 7.396 6.523 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.662 5.566 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.413 4.299 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.199 4.740 -4.824 1.00 0.00 H new ATOM 865 N GLU A 56 8.495 7.194 -6.184 1.00 0.00 N ATOM 866 CA GLU A 56 9.006 8.235 -7.048 1.00 0.00 C ATOM 867 C GLU A 56 8.111 9.471 -7.011 1.00 0.00 C ATOM 868 O GLU A 56 8.595 10.602 -6.939 1.00 0.00 O ATOM 869 CB GLU A 56 9.096 7.684 -8.465 1.00 0.00 C ATOM 870 CG GLU A 56 10.164 6.622 -8.650 1.00 0.00 C ATOM 871 CD GLU A 56 10.196 6.082 -10.063 1.00 0.00 C ATOM 872 OE1 GLU A 56 9.401 5.176 -10.380 1.00 0.00 O ATOM 873 OE2 GLU A 56 10.997 6.585 -10.880 1.00 0.00 O ATOM 0 H GLU A 56 8.264 6.328 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 56 9.994 8.540 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.129 7.264 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.294 8.507 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.139 7.042 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.983 5.803 -7.954 1.00 0.00 H new ATOM 880 N GLY A 57 6.803 9.245 -7.049 1.00 0.00 N ATOM 881 CA GLY A 57 5.856 10.341 -7.020 1.00 0.00 C ATOM 882 C GLY A 57 5.793 11.022 -5.665 1.00 0.00 C ATOM 883 O GLY A 57 5.782 12.251 -5.583 1.00 0.00 O ATOM 0 H GLY A 57 6.381 8.318 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.131 11.074 -7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.866 9.968 -7.281 1.00 0.00 H new ATOM 887 N ALA A 58 5.755 10.226 -4.603 1.00 0.00 N ATOM 888 CA ALA A 58 5.714 10.760 -3.247 1.00 0.00 C ATOM 889 C ALA A 58 6.960 11.588 -2.963 1.00 0.00 C ATOM 890 O ALA A 58 6.871 12.710 -2.464 1.00 0.00 O ATOM 891 CB ALA A 58 5.580 9.630 -2.234 1.00 0.00 C ATOM 0 H ALA A 58 5.752 9.207 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 58 4.842 11.408 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.551 10.046 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.660 9.077 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.433 8.957 -2.324 1.00 0.00 H new ATOM 897 N LEU A 59 8.115 11.034 -3.313 1.00 0.00 N ATOM 898 CA LEU A 59 9.387 11.703 -3.120 1.00 0.00 C ATOM 899 C LEU A 59 9.454 13.007 -3.906 1.00 0.00 C ATOM 900 O LEU A 59 10.059 13.978 -3.458 1.00 0.00 O ATOM 901 CB LEU A 59 10.517 10.767 -3.532 1.00 0.00 C ATOM 902 CG LEU A 59 10.892 9.706 -2.491 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.971 8.777 -3.024 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.352 10.363 -1.197 1.00 0.00 C ATOM 0 H LEU A 59 8.191 10.110 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 59 9.492 11.955 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.233 10.263 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.401 11.365 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 59 10.002 9.112 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.218 8.034 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.608 8.274 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.861 9.356 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.614 9.593 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.224 10.986 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.548 10.981 -0.797 1.00 0.00 H new ATOM 916 N GLU A 60 8.828 13.021 -5.073 1.00 0.00 N ATOM 917 CA GLU A 60 8.753 14.221 -5.900 1.00 0.00 C ATOM 918 C GLU A 60 8.062 15.355 -5.141 1.00 0.00 C ATOM 919 O GLU A 60 8.613 16.446 -4.991 1.00 0.00 O ATOM 920 CB GLU A 60 7.985 13.910 -7.189 1.00 0.00 C ATOM 921 CG GLU A 60 7.849 15.082 -8.148 1.00 0.00 C ATOM 922 CD GLU A 60 9.172 15.522 -8.740 1.00 0.00 C ATOM 923 OE1 GLU A 60 9.951 14.647 -9.180 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.436 16.742 -8.776 1.00 0.00 O ATOM 0 H GLU A 60 8.360 12.208 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 60 9.765 14.540 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.487 13.092 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.988 13.557 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.170 14.806 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.395 15.923 -7.623 1.00 0.00 H new ATOM 931 N LEU A 61 6.867 15.073 -4.634 1.00 0.00 N ATOM 932 CA LEU A 61 6.056 16.087 -3.968 1.00 0.00 C ATOM 933 C LEU A 61 6.669 16.537 -2.643 1.00 0.00 C ATOM 934 O LEU A 61 6.610 17.719 -2.300 1.00 0.00 O ATOM 935 CB LEU A 61 4.628 15.578 -3.735 1.00 0.00 C ATOM 936 CG LEU A 61 3.656 15.774 -4.904 1.00 0.00 C ATOM 937 CD1 LEU A 61 4.110 15.007 -6.137 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.251 15.349 -4.501 1.00 0.00 C ATOM 0 H LEU A 61 6.437 14.149 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 61 6.025 16.951 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.674 14.515 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.220 16.082 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 61 3.645 16.834 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.399 15.167 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.095 15.360 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.162 13.943 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.572 15.494 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.257 14.297 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.917 15.952 -3.656 1.00 0.00 H new ATOM 950 N ILE A 62 7.268 15.612 -1.904 1.00 0.00 N ATOM 951 CA ILE A 62 7.815 15.943 -0.591 1.00 0.00 C ATOM 952 C ILE A 62 9.195 16.589 -0.703 1.00 0.00 C ATOM 953 O ILE A 62 9.708 17.137 0.270 1.00 0.00 O ATOM 954 CB ILE A 62 7.894 14.713 0.338 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.846 13.659 -0.232 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.503 14.126 0.553 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.006 12.443 0.652 1.00 0.00 C ATOM 0 H ILE A 62 7.388 14.639 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 62 7.123 16.660 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 62 8.289 15.033 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.480 13.342 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.824 14.113 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.572 13.259 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.858 14.877 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.084 13.822 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.695 11.740 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.402 12.747 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.037 11.964 0.790 1.00 0.00 H new ATOM 969 N LYS A 63 9.797 16.507 -1.884 1.00 0.00 N ATOM 970 CA LYS A 63 11.064 17.182 -2.131 1.00 0.00 C ATOM 971 C LYS A 63 10.817 18.650 -2.466 1.00 0.00 C ATOM 972 O LYS A 63 11.565 19.531 -2.043 1.00 0.00 O ATOM 973 CB LYS A 63 11.847 16.479 -3.253 1.00 0.00 C ATOM 974 CG LYS A 63 13.191 17.124 -3.566 1.00 0.00 C ATOM 975 CD LYS A 63 13.066 18.198 -4.635 1.00 0.00 C ATOM 976 CE LYS A 63 14.279 19.113 -4.657 1.00 0.00 C ATOM 977 NZ LYS A 63 14.390 19.918 -3.410 1.00 0.00 N ATOM 0 H LYS A 63 9.431 15.984 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 63 11.670 17.134 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.011 15.439 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.239 16.472 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.605 17.562 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.893 16.359 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.947 17.728 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.168 18.789 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.182 18.516 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.214 19.781 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.592 20.909 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.495 19.866 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.161 19.542 -2.822 1.00 0.00 H new ATOM 991 N VAL A 64 9.765 18.904 -3.231 1.00 0.00 N ATOM 992 CA VAL A 64 9.397 20.266 -3.592 1.00 0.00 C ATOM 993 C VAL A 64 8.739 20.970 -2.412 1.00 0.00 C ATOM 994 O VAL A 64 8.997 22.148 -2.146 1.00 0.00 O ATOM 995 CB VAL A 64 8.434 20.283 -4.796 1.00 0.00 C ATOM 996 CG1 VAL A 64 8.056 21.708 -5.177 1.00 0.00 C ATOM 997 CG2 VAL A 64 9.052 19.561 -5.982 1.00 0.00 C ATOM 0 H VAL A 64 9.151 18.185 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 64 10.311 20.792 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 64 7.523 19.760 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.376 21.689 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.566 22.193 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.955 22.264 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.359 19.583 -6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.981 20.055 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.260 18.526 -5.710 1.00 0.00 H new ATOM 1007 N ARG A 65 7.896 20.238 -1.702 1.00 0.00 N ATOM 1008 CA ARG A 65 7.176 20.779 -0.561 1.00 0.00 C ATOM 1009 C ARG A 65 7.814 20.319 0.741 1.00 0.00 C ATOM 1010 O ARG A 65 8.957 19.868 0.762 1.00 0.00 O ATOM 1011 CB ARG A 65 5.725 20.307 -0.585 1.00 0.00 C ATOM 1012 CG ARG A 65 4.979 20.649 -1.859 1.00 0.00 C ATOM 1013 CD ARG A 65 3.584 20.053 -1.842 1.00 0.00 C ATOM 1014 NE ARG A 65 2.794 20.534 -0.709 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.399 19.769 0.311 1.00 0.00 C ATOM 1016 NH1 ARG A 65 2.778 18.499 0.392 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.621 20.271 1.258 1.00 0.00 N ATOM 0 H ARG A 65 7.692 19.258 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 65 7.216 21.867 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.704 19.226 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.198 20.748 0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.916 21.732 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.530 20.272 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.073 20.302 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.655 18.966 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 65 2.527 21.518 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.377 18.099 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.470 17.924 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.322 21.245 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.321 19.684 2.036 1.00 0.00 H new ATOM 1031 N ARG A 66 7.069 20.448 1.825 1.00 0.00 N ATOM 1032 CA ARG A 66 7.464 19.879 3.099 1.00 0.00 C ATOM 1033 C ARG A 66 6.393 18.907 3.576 1.00 0.00 C ATOM 1034 O ARG A 66 5.215 19.260 3.635 1.00 0.00 O ATOM 1035 CB ARG A 66 7.688 20.970 4.149 1.00 0.00 C ATOM 1036 CG ARG A 66 9.156 21.220 4.458 1.00 0.00 C ATOM 1037 CD ARG A 66 9.876 21.914 3.311 1.00 0.00 C ATOM 1038 NE ARG A 66 11.326 21.927 3.513 1.00 0.00 N ATOM 1039 CZ ARG A 66 11.959 22.731 4.368 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.292 23.657 5.046 1.00 0.00 N ATOM 1041 NH2 ARG A 66 13.271 22.618 4.518 1.00 0.00 N ATOM 0 H ARG A 66 6.180 20.947 1.846 1.00 0.00 H new ATOM 0 HA ARG A 66 8.406 19.348 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.235 21.898 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.174 20.690 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.237 21.830 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.647 20.271 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.643 21.407 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.512 22.937 3.218 1.00 0.00 H new ATOM 0 HE ARG A 66 11.889 21.278 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.286 23.759 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.786 24.267 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.787 21.921 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.764 23.228 5.170 1.00 0.00 H new ATOM 1055 N PRO A 67 6.784 17.661 3.884 1.00 0.00 N ATOM 1056 CA PRO A 67 5.856 16.631 4.365 1.00 0.00 C ATOM 1057 C PRO A 67 5.162 17.054 5.657 1.00 0.00 C ATOM 1058 O PRO A 67 5.801 17.170 6.703 1.00 0.00 O ATOM 1059 CB PRO A 67 6.756 15.413 4.612 1.00 0.00 C ATOM 1060 CG PRO A 67 7.986 15.668 3.811 1.00 0.00 C ATOM 1061 CD PRO A 67 8.163 17.158 3.784 1.00 0.00 C ATOM 0 HA PRO A 67 5.055 16.437 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.991 15.305 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.266 14.491 4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.852 15.181 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.884 15.269 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.780 17.506 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.647 17.490 2.865 1.00 0.00 H new ATOM 1069 N LYS A 68 3.857 17.293 5.575 1.00 0.00 N ATOM 1070 CA LYS A 68 3.097 17.800 6.711 1.00 0.00 C ATOM 1071 C LYS A 68 2.949 16.734 7.796 1.00 0.00 C ATOM 1072 O LYS A 68 3.585 16.818 8.846 1.00 0.00 O ATOM 1073 CB LYS A 68 1.721 18.284 6.245 1.00 0.00 C ATOM 1074 CG LYS A 68 0.937 19.042 7.306 1.00 0.00 C ATOM 1075 CD LYS A 68 -0.389 19.573 6.769 1.00 0.00 C ATOM 1076 CE LYS A 68 -0.212 20.785 5.855 1.00 0.00 C ATOM 1077 NZ LYS A 68 0.466 20.450 4.573 1.00 0.00 N ATOM 0 H LYS A 68 3.303 17.143 4.732 1.00 0.00 H new ATOM 0 HA LYS A 68 3.643 18.640 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.850 18.927 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.135 17.423 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.747 18.385 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.537 19.874 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.898 18.780 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.032 19.845 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.189 21.218 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.367 21.547 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.095 21.058 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.490 20.604 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.287 19.453 4.336 1.00 0.00 H new ATOM 1091 N TYR A 69 2.119 15.728 7.536 1.00 0.00 N ATOM 1092 CA TYR A 69 1.870 14.673 8.516 1.00 0.00 C ATOM 1093 C TYR A 69 2.916 13.573 8.395 1.00 0.00 C ATOM 1094 O TYR A 69 3.666 13.299 9.331 1.00 0.00 O ATOM 1095 CB TYR A 69 0.489 14.041 8.313 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.630 15.015 8.034 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.331 15.624 9.066 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.000 15.299 6.728 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.369 16.496 8.801 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.037 16.161 6.456 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.716 16.758 7.492 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.760 17.607 7.211 1.00 0.00 O ATOM 0 H TYR A 69 1.609 15.620 6.659 1.00 0.00 H new ATOM 0 HA TYR A 69 1.919 15.134 9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.549 13.335 7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.235 13.467 9.204 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.061 15.413 10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.466 14.836 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.904 16.968 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.317 16.368 5.434 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.392 17.160 6.610 1.00 0.00 H new ATOM 1112 N VAL A 70 2.950 12.954 7.221 1.00 0.00 N ATOM 1113 CA VAL A 70 3.790 11.796 6.968 1.00 0.00 C ATOM 1114 C VAL A 70 5.275 12.151 7.032 1.00 0.00 C ATOM 1115 O VAL A 70 5.685 13.247 6.642 1.00 0.00 O ATOM 1116 CB VAL A 70 3.457 11.168 5.592 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.669 12.171 4.466 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.277 9.911 5.352 1.00 0.00 C ATOM 0 H VAL A 70 2.393 13.244 6.417 1.00 0.00 H new ATOM 0 HA VAL A 70 3.582 11.068 7.752 1.00 0.00 H new ATOM 0 HB VAL A 70 2.403 10.888 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.428 11.703 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.022 13.034 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.710 12.495 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.023 9.491 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.338 10.159 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.059 9.180 6.131 1.00 0.00 H new ATOM 1128 N HIS A 71 6.066 11.227 7.556 1.00 0.00 N ATOM 1129 CA HIS A 71 7.510 11.380 7.605 1.00 0.00 C ATOM 1130 C HIS A 71 8.110 10.675 6.393 1.00 0.00 C ATOM 1131 O HIS A 71 7.586 9.650 5.958 1.00 0.00 O ATOM 1132 CB HIS A 71 8.042 10.768 8.905 1.00 0.00 C ATOM 1133 CG HIS A 71 9.031 11.617 9.642 1.00 0.00 C ATOM 1134 ND1 HIS A 71 8.893 12.978 9.802 1.00 0.00 N ATOM 1135 CD2 HIS A 71 10.174 11.281 10.283 1.00 0.00 C ATOM 1136 CE1 HIS A 71 9.908 13.441 10.506 1.00 0.00 C ATOM 1137 NE2 HIS A 71 10.699 12.431 10.813 1.00 0.00 N ATOM 0 H HIS A 71 5.725 10.353 7.958 1.00 0.00 H new ATOM 0 HA HIS A 71 7.786 12.434 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.199 10.562 9.564 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.508 9.810 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.595 10.290 10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.065 14.473 10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.560 12.495 11.356 1.00 0.00 H new ATOM 1146 N LYS A 72 9.192 11.212 5.842 1.00 0.00 N ATOM 1147 CA LYS A 72 9.799 10.630 4.649 1.00 0.00 C ATOM 1148 C LYS A 72 10.246 9.200 4.938 1.00 0.00 C ATOM 1149 O LYS A 72 10.085 8.301 4.112 1.00 0.00 O ATOM 1150 CB LYS A 72 10.978 11.493 4.167 1.00 0.00 C ATOM 1151 CG LYS A 72 11.562 11.063 2.822 1.00 0.00 C ATOM 1152 CD LYS A 72 12.601 9.962 2.972 1.00 0.00 C ATOM 1153 CE LYS A 72 13.925 10.512 3.475 1.00 0.00 C ATOM 1154 NZ LYS A 72 14.561 9.613 4.473 1.00 0.00 N ATOM 0 H LYS A 72 9.665 12.043 6.198 1.00 0.00 H new ATOM 0 HA LYS A 72 9.058 10.604 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.648 12.529 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.767 11.463 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.758 10.715 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.016 11.925 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.233 9.205 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.752 9.469 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.602 10.654 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.763 11.493 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.573 9.512 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.451 10.018 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.105 8.679 4.439 1.00 0.00 H new ATOM 1168 N GLU A 73 10.779 9.004 6.135 1.00 0.00 N ATOM 1169 CA GLU A 73 11.254 7.701 6.581 1.00 0.00 C ATOM 1170 C GLU A 73 10.111 6.688 6.631 1.00 0.00 C ATOM 1171 O GLU A 73 10.324 5.488 6.443 1.00 0.00 O ATOM 1172 CB GLU A 73 11.914 7.817 7.959 1.00 0.00 C ATOM 1173 CG GLU A 73 13.190 8.653 7.972 1.00 0.00 C ATOM 1174 CD GLU A 73 12.957 10.097 7.568 1.00 0.00 C ATOM 1175 OE1 GLU A 73 11.956 10.690 8.020 1.00 0.00 O ATOM 1176 OE2 GLU A 73 13.740 10.627 6.755 1.00 0.00 O ATOM 0 H GLU A 73 10.895 9.745 6.826 1.00 0.00 H new ATOM 0 HA GLU A 73 11.993 7.348 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.199 8.254 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.145 6.816 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.625 8.627 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.918 8.205 7.296 1.00 0.00 H new ATOM 1183 N GLN A 74 8.900 7.184 6.878 1.00 0.00 N ATOM 1184 CA GLN A 74 7.715 6.337 6.923 1.00 0.00 C ATOM 1185 C GLN A 74 7.393 5.791 5.539 1.00 0.00 C ATOM 1186 O GLN A 74 7.104 4.606 5.386 1.00 0.00 O ATOM 1187 CB GLN A 74 6.519 7.122 7.470 1.00 0.00 C ATOM 1188 CG GLN A 74 6.578 7.368 8.966 1.00 0.00 C ATOM 1189 CD GLN A 74 5.336 8.069 9.479 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.271 9.298 9.509 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.339 7.299 9.884 1.00 0.00 N ATOM 0 H GLN A 74 8.716 8.172 7.050 1.00 0.00 H new ATOM 0 HA GLN A 74 7.920 5.498 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.461 8.081 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.603 6.579 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.697 6.417 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.456 7.970 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.430 6.284 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.480 7.721 10.236 1.00 0.00 H new ATOM 1200 N ILE A 75 7.471 6.659 4.533 1.00 0.00 N ATOM 1201 CA ILE A 75 7.192 6.275 3.150 1.00 0.00 C ATOM 1202 C ILE A 75 8.117 5.145 2.703 1.00 0.00 C ATOM 1203 O ILE A 75 7.690 4.205 2.030 1.00 0.00 O ATOM 1204 CB ILE A 75 7.350 7.479 2.195 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.397 8.605 2.609 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.092 7.063 0.750 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.535 9.860 1.774 1.00 0.00 C ATOM 0 H ILE A 75 7.727 7.639 4.650 1.00 0.00 H new ATOM 0 HA ILE A 75 6.159 5.928 3.110 1.00 0.00 H new ATOM 0 HB ILE A 75 8.375 7.843 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.371 8.244 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.576 8.854 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.209 7.927 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.804 6.290 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.078 6.674 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.828 10.611 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.550 10.247 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.326 9.627 0.730 1.00 0.00 H new ATOM 1219 N GLU A 76 9.380 5.236 3.100 1.00 0.00 N ATOM 1220 CA GLU A 76 10.366 4.212 2.770 1.00 0.00 C ATOM 1221 C GLU A 76 9.980 2.862 3.375 1.00 0.00 C ATOM 1222 O GLU A 76 10.175 1.816 2.757 1.00 0.00 O ATOM 1223 CB GLU A 76 11.747 4.627 3.277 1.00 0.00 C ATOM 1224 CG GLU A 76 12.286 5.897 2.635 1.00 0.00 C ATOM 1225 CD GLU A 76 13.650 6.283 3.172 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.722 6.999 4.191 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.666 5.861 2.578 1.00 0.00 O ATOM 0 H GLU A 76 9.748 6.011 3.653 1.00 0.00 H new ATOM 0 HA GLU A 76 10.394 4.109 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.699 4.770 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.449 3.814 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.350 5.756 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.586 6.714 2.809 1.00 0.00 H new ATOM 1234 N ALA A 77 9.424 2.897 4.582 1.00 0.00 N ATOM 1235 CA ALA A 77 9.024 1.680 5.282 1.00 0.00 C ATOM 1236 C ALA A 77 7.744 1.103 4.687 1.00 0.00 C ATOM 1237 O ALA A 77 7.572 -0.116 4.620 1.00 0.00 O ATOM 1238 CB ALA A 77 8.842 1.959 6.769 1.00 0.00 C ATOM 0 H ALA A 77 9.240 3.758 5.097 1.00 0.00 H new ATOM 0 HA ALA A 77 9.816 0.941 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.544 1.042 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.781 2.318 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.070 2.717 6.905 1.00 0.00 H new ATOM 1244 N VAL A 78 6.849 1.986 4.252 1.00 0.00 N ATOM 1245 CA VAL A 78 5.580 1.572 3.661 1.00 0.00 C ATOM 1246 C VAL A 78 5.806 0.695 2.436 1.00 0.00 C ATOM 1247 O VAL A 78 5.059 -0.253 2.206 1.00 0.00 O ATOM 1248 CB VAL A 78 4.703 2.786 3.277 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.449 2.348 2.532 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.325 3.573 4.519 1.00 0.00 C ATOM 0 H VAL A 78 6.980 2.996 4.298 1.00 0.00 H new ATOM 0 HA VAL A 78 5.052 0.994 4.420 1.00 0.00 H new ATOM 0 HB VAL A 78 5.285 3.424 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.853 3.224 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.732 1.823 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.862 1.683 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.708 4.425 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.767 2.931 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.229 3.928 5.014 1.00 0.00 H new ATOM 1260 N LYS A 79 6.846 1.004 1.666 1.00 0.00 N ATOM 1261 CA LYS A 79 7.184 0.218 0.484 1.00 0.00 C ATOM 1262 C LYS A 79 7.318 -1.263 0.835 1.00 0.00 C ATOM 1263 O LYS A 79 6.700 -2.124 0.203 1.00 0.00 O ATOM 1264 CB LYS A 79 8.497 0.705 -0.130 1.00 0.00 C ATOM 1265 CG LYS A 79 8.921 -0.104 -1.347 1.00 0.00 C ATOM 1266 CD LYS A 79 10.424 -0.065 -1.562 1.00 0.00 C ATOM 1267 CE LYS A 79 10.849 -1.041 -2.647 1.00 0.00 C ATOM 1268 NZ LYS A 79 12.317 -1.258 -2.653 1.00 0.00 N ATOM 0 H LYS A 79 7.469 1.793 1.840 1.00 0.00 H new ATOM 0 HA LYS A 79 6.376 0.345 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.392 1.752 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.284 0.657 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.599 -1.138 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.418 0.284 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.729 0.945 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.934 -0.309 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.342 -1.994 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.534 -0.662 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.566 -1.930 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.801 -0.353 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.615 -1.644 -1.734 1.00 0.00 H new ATOM 1282 N ASP A 80 8.119 -1.553 1.853 1.00 0.00 N ATOM 1283 CA ASP A 80 8.378 -2.932 2.242 1.00 0.00 C ATOM 1284 C ASP A 80 7.179 -3.518 2.969 1.00 0.00 C ATOM 1285 O ASP A 80 6.776 -4.642 2.688 1.00 0.00 O ATOM 1286 CB ASP A 80 9.625 -3.036 3.123 1.00 0.00 C ATOM 1287 CG ASP A 80 10.019 -4.480 3.391 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.661 -5.096 2.509 1.00 0.00 O ATOM 1289 OD2 ASP A 80 9.704 -5.004 4.479 1.00 0.00 O ATOM 0 H ASP A 80 8.598 -0.855 2.421 1.00 0.00 H new ATOM 0 HA ASP A 80 8.554 -3.504 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.454 -2.519 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.442 -2.529 4.070 1.00 0.00 H new ATOM 1294 N ASN A 81 6.599 -2.742 3.884 1.00 0.00 N ATOM 1295 CA ASN A 81 5.441 -3.195 4.660 1.00 0.00 C ATOM 1296 C ASN A 81 4.250 -3.510 3.762 1.00 0.00 C ATOM 1297 O ASN A 81 3.444 -4.381 4.077 1.00 0.00 O ATOM 1298 CB ASN A 81 5.030 -2.152 5.704 1.00 0.00 C ATOM 1299 CG ASN A 81 5.815 -2.261 7.000 1.00 0.00 C ATOM 1300 OD1 ASN A 81 6.979 -2.658 7.013 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.172 -1.912 8.105 1.00 0.00 N ATOM 0 H ASN A 81 6.911 -1.797 4.107 1.00 0.00 H new ATOM 0 HA ASN A 81 5.744 -4.109 5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.168 -1.155 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.967 -2.263 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.643 -1.968 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.206 -1.588 8.052 1.00 0.00 H new ATOM 1308 N PHE A 82 4.134 -2.799 2.650 1.00 0.00 N ATOM 1309 CA PHE A 82 3.056 -3.042 1.698 1.00 0.00 C ATOM 1310 C PHE A 82 3.220 -4.418 1.054 1.00 0.00 C ATOM 1311 O PHE A 82 2.287 -5.223 1.021 1.00 0.00 O ATOM 1312 CB PHE A 82 3.039 -1.950 0.626 1.00 0.00 C ATOM 1313 CG PHE A 82 1.853 -2.018 -0.298 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.583 -1.706 0.160 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.011 -2.387 -1.624 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.509 -1.762 -0.686 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.923 -2.444 -2.474 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.338 -2.131 -2.005 1.00 0.00 C ATOM 0 H PHE A 82 4.772 -2.049 2.383 1.00 0.00 H new ATOM 0 HA PHE A 82 2.106 -3.019 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.051 -0.976 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.952 -2.021 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.444 -1.415 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.994 -2.633 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.494 -1.518 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.059 -2.733 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.189 -2.175 -2.669 1.00 0.00 H new ATOM 1328 N LEU A 83 4.423 -4.690 0.561 1.00 0.00 N ATOM 1329 CA LEU A 83 4.729 -5.986 -0.029 1.00 0.00 C ATOM 1330 C LEU A 83 4.693 -7.074 1.038 1.00 0.00 C ATOM 1331 O LEU A 83 4.286 -8.206 0.773 1.00 0.00 O ATOM 1332 CB LEU A 83 6.097 -5.955 -0.711 1.00 0.00 C ATOM 1333 CG LEU A 83 6.188 -5.052 -1.943 1.00 0.00 C ATOM 1334 CD1 LEU A 83 7.621 -4.982 -2.447 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.264 -5.557 -3.041 1.00 0.00 C ATOM 0 H LEU A 83 5.201 -4.030 0.559 1.00 0.00 H new ATOM 0 HA LEU A 83 3.974 -6.210 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.841 -5.628 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.363 -6.971 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 83 5.872 -4.048 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.667 -4.336 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.263 -4.578 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.962 -5.982 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.341 -4.904 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.552 -6.570 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.236 -5.560 -2.679 1.00 0.00 H new ATOM 1347 N GLU A 84 5.114 -6.715 2.244 1.00 0.00 N ATOM 1348 CA GLU A 84 5.047 -7.610 3.388 1.00 0.00 C ATOM 1349 C GLU A 84 3.603 -7.996 3.663 1.00 0.00 C ATOM 1350 O GLU A 84 3.304 -9.165 3.856 1.00 0.00 O ATOM 1351 CB GLU A 84 5.656 -6.940 4.621 1.00 0.00 C ATOM 1352 CG GLU A 84 5.560 -7.769 5.892 1.00 0.00 C ATOM 1353 CD GLU A 84 6.368 -9.049 5.822 1.00 0.00 C ATOM 1354 OE1 GLU A 84 7.583 -9.001 6.110 1.00 0.00 O ATOM 1355 OE2 GLU A 84 5.793 -10.112 5.503 1.00 0.00 O ATOM 0 H GLU A 84 5.510 -5.799 2.454 1.00 0.00 H new ATOM 0 HA GLU A 84 5.617 -8.511 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.705 -6.722 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.157 -5.985 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.906 -7.172 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.515 -8.014 6.082 1.00 0.00 H new ATOM 1362 N LEU A 85 2.711 -7.009 3.654 1.00 0.00 N ATOM 1363 CA LEU A 85 1.290 -7.247 3.897 1.00 0.00 C ATOM 1364 C LEU A 85 0.777 -8.344 2.966 1.00 0.00 C ATOM 1365 O LEU A 85 0.082 -9.267 3.397 1.00 0.00 O ATOM 1366 CB LEU A 85 0.505 -5.941 3.695 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.909 -5.896 4.301 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -1.370 -4.453 4.452 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.903 -6.665 3.440 1.00 0.00 C ATOM 0 H LEU A 85 2.948 -6.032 3.480 1.00 0.00 H new ATOM 0 HA LEU A 85 1.147 -7.581 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.086 -5.123 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.425 -5.752 2.625 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.867 -6.368 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.372 -4.434 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.683 -3.918 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.386 -3.972 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.893 -6.615 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.938 -6.225 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.590 -7.707 3.365 1.00 0.00 H new ATOM 1381 N VAL A 86 1.149 -8.250 1.696 1.00 0.00 N ATOM 1382 CA VAL A 86 0.787 -9.267 0.715 1.00 0.00 C ATOM 1383 C VAL A 86 1.468 -10.602 1.038 1.00 0.00 C ATOM 1384 O VAL A 86 0.834 -11.653 1.018 1.00 0.00 O ATOM 1385 CB VAL A 86 1.174 -8.829 -0.715 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.727 -9.857 -1.738 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.583 -7.470 -1.039 1.00 0.00 C ATOM 0 H VAL A 86 1.702 -7.480 1.320 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.295 -9.393 0.764 1.00 0.00 H new ATOM 0 HB VAL A 86 2.260 -8.753 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.012 -9.524 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.204 -10.814 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.356 -9.972 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.868 -7.181 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.504 -7.520 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.959 -6.731 -0.331 1.00 0.00 H new ATOM 1397 N LEU A 87 2.754 -10.538 1.361 1.00 0.00 N ATOM 1398 CA LEU A 87 3.553 -11.735 1.613 1.00 0.00 C ATOM 1399 C LEU A 87 3.063 -12.510 2.841 1.00 0.00 C ATOM 1400 O LEU A 87 2.784 -13.709 2.756 1.00 0.00 O ATOM 1401 CB LEU A 87 5.022 -11.350 1.795 1.00 0.00 C ATOM 1402 CG LEU A 87 5.983 -12.521 2.010 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.990 -13.443 0.800 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.386 -12.008 2.284 1.00 0.00 C ATOM 0 H LEU A 87 3.271 -9.664 1.456 1.00 0.00 H new ATOM 0 HA LEU A 87 3.444 -12.389 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.346 -10.792 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.101 -10.675 2.648 1.00 0.00 H new ATOM 0 HG LEU A 87 5.640 -13.090 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.680 -14.268 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.987 -13.837 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.308 -12.885 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.059 -12.852 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.730 -11.417 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.378 -11.386 3.179 1.00 0.00 H new ATOM 1416 N GLN A 88 2.951 -11.830 3.978 1.00 0.00 N ATOM 1417 CA GLN A 88 2.545 -12.485 5.219 1.00 0.00 C ATOM 1418 C GLN A 88 1.083 -12.908 5.174 1.00 0.00 C ATOM 1419 O GLN A 88 0.616 -13.652 6.039 1.00 0.00 O ATOM 1420 CB GLN A 88 2.844 -11.602 6.448 1.00 0.00 C ATOM 1421 CG GLN A 88 2.250 -10.196 6.424 1.00 0.00 C ATOM 1422 CD GLN A 88 0.820 -10.136 6.922 1.00 0.00 C ATOM 1423 OE1 GLN A 88 0.575 -10.017 8.119 1.00 0.00 O ATOM 1424 NE2 GLN A 88 -0.130 -10.170 6.007 1.00 0.00 N ATOM 0 H GLN A 88 3.134 -10.831 4.067 1.00 0.00 H new ATOM 0 HA GLN A 88 3.141 -13.392 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.476 -12.115 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.925 -11.516 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.868 -9.539 7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.288 -9.811 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.114 -10.270 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.109 -10.096 6.285 1.00 0.00 H new ATOM 1433 N SER A 89 0.370 -12.463 4.148 1.00 0.00 N ATOM 1434 CA SER A 89 -1.006 -12.883 3.938 1.00 0.00 C ATOM 1435 C SER A 89 -1.021 -14.330 3.452 1.00 0.00 C ATOM 1436 O SER A 89 -2.009 -15.052 3.606 1.00 0.00 O ATOM 1437 CB SER A 89 -1.699 -11.957 2.927 1.00 0.00 C ATOM 1438 OG SER A 89 -3.100 -12.169 2.899 1.00 0.00 O ATOM 0 H SER A 89 0.724 -11.811 3.448 1.00 0.00 H new ATOM 0 HA SER A 89 -1.554 -12.819 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.493 -10.918 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.285 -12.128 1.933 1.00 0.00 H new ATOM 0 HG SER A 89 -3.510 -11.563 2.247 1.00 0.00 H new ATOM 1444 N TYR A 90 0.105 -14.760 2.891 1.00 0.00 N ATOM 1445 CA TYR A 90 0.243 -16.121 2.403 1.00 0.00 C ATOM 1446 C TYR A 90 1.095 -16.961 3.353 1.00 0.00 C ATOM 1447 O TYR A 90 0.661 -18.013 3.816 1.00 0.00 O ATOM 1448 CB TYR A 90 0.863 -16.120 1.004 1.00 0.00 C ATOM 1449 CG TYR A 90 0.056 -15.352 -0.020 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -1.245 -15.724 -0.330 1.00 0.00 C ATOM 1451 CD2 TYR A 90 0.600 -14.259 -0.683 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -1.982 -15.028 -1.268 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -0.132 -13.556 -1.623 1.00 0.00 C ATOM 1454 CZ TYR A 90 -1.422 -13.945 -1.912 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.158 -13.251 -2.849 1.00 0.00 O ATOM 0 H TYR A 90 0.935 -14.181 2.765 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.751 -16.565 2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.864 -15.691 1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.976 -17.150 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.688 -16.572 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.612 -13.953 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.993 -15.331 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.305 -12.707 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.619 -12.516 -3.209 1.00 0.00 H new ATOM 1465 N VAL A 91 2.298 -16.483 3.661 1.00 0.00 N ATOM 1466 CA VAL A 91 3.232 -17.244 4.499 1.00 0.00 C ATOM 1467 C VAL A 91 2.819 -17.235 5.974 1.00 0.00 C ATOM 1468 O VAL A 91 3.240 -18.095 6.747 1.00 0.00 O ATOM 1469 CB VAL A 91 4.680 -16.727 4.360 1.00 0.00 C ATOM 1470 CG1 VAL A 91 5.185 -16.930 2.939 1.00 0.00 C ATOM 1471 CG2 VAL A 91 4.783 -15.261 4.760 1.00 0.00 C ATOM 0 H VAL A 91 2.651 -15.579 3.347 1.00 0.00 H new ATOM 0 HA VAL A 91 3.194 -18.272 4.138 1.00 0.00 H new ATOM 0 HB VAL A 91 5.309 -17.304 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.207 -16.560 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.164 -17.992 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.547 -16.384 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.815 -14.926 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.137 -14.662 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.471 -15.144 5.798 1.00 0.00 H new ATOM 1481 N HIS A 92 2.008 -16.249 6.351 1.00 0.00 N ATOM 1482 CA HIS A 92 1.396 -16.189 7.687 1.00 0.00 C ATOM 1483 C HIS A 92 2.431 -16.115 8.814 1.00 0.00 C ATOM 1484 O HIS A 92 2.177 -16.606 9.914 1.00 0.00 O ATOM 1485 CB HIS A 92 0.484 -17.408 7.920 1.00 0.00 C ATOM 1486 CG HIS A 92 -0.671 -17.499 6.972 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -1.319 -18.680 6.671 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -1.295 -16.541 6.254 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -2.287 -18.438 5.806 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -2.295 -17.147 5.538 1.00 0.00 N ATOM 0 H HIS A 92 1.754 -15.469 5.745 1.00 0.00 H new ATOM 0 HA HIS A 92 0.810 -15.270 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.081 -18.316 7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.101 -17.372 8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.051 -15.489 6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -2.959 -19.173 5.389 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -2.939 -16.676 4.902 1.00 0.00 H new ATOM 1499 N HIS A 93 3.575 -15.478 8.569 1.00 0.00 N ATOM 1500 CA HIS A 93 4.619 -15.381 9.599 1.00 0.00 C ATOM 1501 C HIS A 93 4.343 -14.220 10.563 1.00 0.00 C ATOM 1502 O HIS A 93 5.153 -13.309 10.724 1.00 0.00 O ATOM 1503 CB HIS A 93 6.032 -15.277 8.973 1.00 0.00 C ATOM 1504 CG HIS A 93 6.351 -14.001 8.232 1.00 0.00 C ATOM 1505 ND1 HIS A 93 7.585 -13.393 8.301 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.615 -13.243 7.384 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.595 -12.323 7.529 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.413 -12.210 6.960 1.00 0.00 N ATOM 0 H HIS A 93 3.805 -15.027 7.683 1.00 0.00 H new ATOM 0 HA HIS A 93 4.592 -16.303 10.179 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.767 -15.402 9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 93 6.162 -16.112 8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.589 -13.419 7.095 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.431 -11.654 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.136 -11.475 6.310 1.00 0.00 H new ATOM 1517 N ILE A 94 3.188 -14.267 11.207 1.00 0.00 N ATOM 1518 CA ILE A 94 2.766 -13.218 12.129 1.00 0.00 C ATOM 1519 C ILE A 94 2.074 -13.833 13.338 1.00 0.00 C ATOM 1520 O ILE A 94 1.974 -15.053 13.443 1.00 0.00 O ATOM 1521 CB ILE A 94 1.797 -12.221 11.455 1.00 0.00 C ATOM 1522 CG1 ILE A 94 0.588 -12.964 10.874 1.00 0.00 C ATOM 1523 CG2 ILE A 94 2.511 -11.428 10.368 1.00 0.00 C ATOM 1524 CD1 ILE A 94 -0.489 -12.048 10.341 1.00 0.00 C ATOM 0 H ILE A 94 2.517 -15.029 11.108 1.00 0.00 H new ATOM 0 HA ILE A 94 3.661 -12.679 12.439 1.00 0.00 H new ATOM 0 HB ILE A 94 1.443 -11.520 12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.927 -13.618 10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.160 -13.603 11.646 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.811 -10.732 9.906 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.339 -10.872 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.895 -12.112 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.312 -12.645 9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.856 -11.411 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.077 -11.427 9.546 1.00 0.00 H new ATOM 1536 N HIS A 95 1.607 -12.997 14.258 1.00 0.00 N ATOM 1537 CA HIS A 95 0.850 -13.483 15.410 1.00 0.00 C ATOM 1538 C HIS A 95 -0.425 -12.668 15.606 1.00 0.00 C ATOM 1539 O HIS A 95 -0.535 -11.894 16.556 1.00 0.00 O ATOM 1540 CB HIS A 95 1.698 -13.461 16.689 1.00 0.00 C ATOM 1541 CG HIS A 95 2.768 -14.511 16.723 1.00 0.00 C ATOM 1542 ND1 HIS A 95 2.613 -15.720 17.366 1.00 0.00 N ATOM 1543 CD2 HIS A 95 4.012 -14.530 16.186 1.00 0.00 C ATOM 1544 CE1 HIS A 95 3.714 -16.435 17.223 1.00 0.00 C ATOM 1545 NE2 HIS A 95 4.577 -15.737 16.512 1.00 0.00 N ATOM 0 H HIS A 95 1.737 -11.986 14.231 1.00 0.00 H new ATOM 0 HA HIS A 95 0.574 -14.518 15.206 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.162 -12.480 16.790 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.043 -13.594 17.550 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.473 -13.742 15.609 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.879 -17.425 17.622 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.513 -16.044 16.247 1.00 0.00 H new ATOM 1554 N LYS A 96 -1.367 -12.845 14.675 1.00 0.00 N ATOM 1555 CA LYS A 96 -2.693 -12.214 14.718 1.00 0.00 C ATOM 1556 C LYS A 96 -2.624 -10.681 14.684 1.00 0.00 C ATOM 1557 O LYS A 96 -2.860 -10.068 13.641 1.00 0.00 O ATOM 1558 CB LYS A 96 -3.475 -12.684 15.954 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.940 -12.262 15.955 1.00 0.00 C ATOM 1560 CD LYS A 96 -5.688 -12.852 14.766 1.00 0.00 C ATOM 1561 CE LYS A 96 -7.133 -12.381 14.710 1.00 0.00 C ATOM 1562 NZ LYS A 96 -7.904 -12.789 15.912 1.00 0.00 N ATOM 0 H LYS A 96 -1.230 -13.439 13.857 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.218 -12.529 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.420 -13.771 16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.993 -12.290 16.849 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.413 -12.586 16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.007 -11.174 15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.180 -12.572 13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.664 -13.940 14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.156 -11.295 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.611 -12.787 13.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.910 -12.567 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.793 -13.812 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.549 -12.275 16.743 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.272 -10.080 15.816 1.00 0.00 N ATOM 1577 CA LYS A 97 -2.308 -8.631 15.983 1.00 0.00 C ATOM 1578 C LYS A 97 -1.361 -7.938 15.006 1.00 0.00 C ATOM 1579 O LYS A 97 -1.605 -6.806 14.582 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.920 -8.271 17.420 1.00 0.00 C ATOM 1581 CG LYS A 97 -2.385 -6.895 17.868 1.00 0.00 C ATOM 1582 CD LYS A 97 -3.896 -6.851 18.026 1.00 0.00 C ATOM 1583 CE LYS A 97 -4.361 -5.543 18.644 1.00 0.00 C ATOM 1584 NZ LYS A 97 -5.825 -5.549 18.902 1.00 0.00 N ATOM 0 H LYS A 97 -1.954 -10.584 16.644 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.321 -8.288 15.775 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.336 -9.019 18.094 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.835 -8.324 17.515 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.910 -6.638 18.815 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.071 -6.147 17.140 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.367 -6.980 17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.221 -7.684 18.650 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.827 -5.372 19.579 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.112 -4.717 17.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.107 -4.641 19.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.335 -5.688 18.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.059 -6.322 19.557 1.00 0.00 H new ATOM 1598 N ARG A 98 -0.294 -8.642 14.640 1.00 0.00 N ATOM 1599 CA ARG A 98 0.739 -8.099 13.760 1.00 0.00 C ATOM 1600 C ARG A 98 0.160 -7.707 12.401 1.00 0.00 C ATOM 1601 O ARG A 98 0.628 -6.761 11.770 1.00 0.00 O ATOM 1602 CB ARG A 98 1.859 -9.129 13.580 1.00 0.00 C ATOM 1603 CG ARG A 98 3.146 -8.555 13.006 1.00 0.00 C ATOM 1604 CD ARG A 98 4.201 -9.638 12.851 1.00 0.00 C ATOM 1605 NE ARG A 98 5.519 -9.102 12.514 1.00 0.00 N ATOM 1606 CZ ARG A 98 6.579 -9.868 12.239 1.00 0.00 C ATOM 1607 NH1 ARG A 98 6.452 -11.186 12.166 1.00 0.00 N ATOM 1608 NH2 ARG A 98 7.765 -9.315 12.030 1.00 0.00 N ATOM 0 H ARG A 98 -0.120 -9.600 14.943 1.00 0.00 H new ATOM 0 HA ARG A 98 1.144 -7.199 14.223 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.077 -9.585 14.546 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.504 -9.924 12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.944 -8.097 12.038 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.521 -7.767 13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.271 -10.206 13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.888 -10.335 12.074 1.00 0.00 H new ATOM 0 HE ARG A 98 5.636 -8.089 12.487 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.542 -11.620 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.264 -11.766 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.871 -8.302 12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.572 -9.903 11.820 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.874 -8.420 11.967 1.00 0.00 N ATOM 1623 CA PHE A 99 -1.495 -8.146 10.678 1.00 0.00 C ATOM 1624 C PHE A 99 -2.122 -6.757 10.672 1.00 0.00 C ATOM 1625 O PHE A 99 -1.910 -5.969 9.746 1.00 0.00 O ATOM 1626 CB PHE A 99 -2.562 -9.193 10.355 1.00 0.00 C ATOM 1627 CG PHE A 99 -3.208 -8.987 9.016 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -2.496 -9.214 7.852 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -4.519 -8.552 8.917 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -3.074 -9.017 6.614 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -5.104 -8.351 7.681 1.00 0.00 C ATOM 1632 CZ PHE A 99 -4.378 -8.585 6.529 1.00 0.00 C ATOM 0 H PHE A 99 -1.298 -9.189 12.487 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.717 -8.190 9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.109 -10.184 10.384 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.330 -9.170 11.129 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.472 -9.551 7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.090 -8.368 9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.505 -9.201 5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.127 -8.012 7.616 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.834 -8.429 5.562 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.888 -6.464 11.711 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.560 -5.176 11.826 1.00 0.00 C ATOM 1644 C LYS A 100 -2.543 -4.058 12.006 1.00 0.00 C ATOM 1645 O LYS A 100 -2.733 -2.955 11.500 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.561 -5.185 12.989 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.941 -5.726 12.620 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.878 -7.154 12.102 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.241 -7.648 11.631 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.800 -6.799 10.544 1.00 0.00 N ATOM 0 H LYS A 100 -3.061 -7.101 12.489 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.112 -4.996 10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.152 -5.786 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.670 -4.169 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.591 -5.687 13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.390 -5.085 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.167 -7.210 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.506 -7.810 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.151 -8.675 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.933 -7.659 12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.587 -7.299 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.146 -5.904 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.058 -6.600 9.843 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.457 -4.361 12.708 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.373 -3.403 12.909 1.00 0.00 C ATOM 1666 C ASP A 101 0.207 -2.967 11.567 1.00 0.00 C ATOM 1667 O ASP A 101 0.328 -1.773 11.289 1.00 0.00 O ATOM 1668 CB ASP A 101 0.725 -4.027 13.776 1.00 0.00 C ATOM 1669 CG ASP A 101 1.858 -3.068 14.077 1.00 0.00 C ATOM 1670 OD1 ASP A 101 2.820 -3.005 13.282 1.00 0.00 O ATOM 1671 OD2 ASP A 101 1.804 -2.387 15.121 1.00 0.00 O ATOM 0 H ASP A 101 -1.302 -5.267 13.150 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.773 -2.526 13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.288 -4.371 14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.125 -4.906 13.270 1.00 0.00 H new ATOM 1676 N ILE A 102 0.546 -3.947 10.735 1.00 0.00 N ATOM 1677 CA ILE A 102 1.076 -3.676 9.401 1.00 0.00 C ATOM 1678 C ILE A 102 0.054 -2.926 8.556 1.00 0.00 C ATOM 1679 O ILE A 102 0.386 -1.931 7.909 1.00 0.00 O ATOM 1680 CB ILE A 102 1.486 -4.981 8.675 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.553 -5.726 9.482 1.00 0.00 C ATOM 1682 CG2 ILE A 102 1.996 -4.679 7.270 1.00 0.00 C ATOM 1683 CD1 ILE A 102 2.932 -7.074 8.904 1.00 0.00 C ATOM 0 H ILE A 102 0.463 -4.938 10.961 1.00 0.00 H new ATOM 0 HA ILE A 102 1.964 -3.057 9.528 1.00 0.00 H new ATOM 0 HB ILE A 102 0.605 -5.618 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.446 -5.105 9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.191 -5.867 10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.279 -5.610 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.210 -4.189 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.864 -4.023 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.692 -7.538 9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.051 -7.715 8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.326 -6.940 7.896 1.00 0.00 H new ATOM 1695 N THR A 103 -1.193 -3.391 8.588 1.00 0.00 N ATOM 1696 CA THR A 103 -2.263 -2.763 7.823 1.00 0.00 C ATOM 1697 C THR A 103 -2.412 -1.294 8.215 1.00 0.00 C ATOM 1698 O THR A 103 -2.424 -0.407 7.357 1.00 0.00 O ATOM 1699 CB THR A 103 -3.613 -3.483 8.041 1.00 0.00 C ATOM 1700 OG1 THR A 103 -3.467 -4.895 7.835 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.674 -2.947 7.091 1.00 0.00 C ATOM 0 H THR A 103 -1.485 -4.200 9.136 1.00 0.00 H new ATOM 0 HA THR A 103 -1.992 -2.837 6.770 1.00 0.00 H new ATOM 0 HB THR A 103 -3.927 -3.295 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.123 -5.311 8.653 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.615 -3.470 7.264 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.814 -1.880 7.266 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.354 -3.107 6.061 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.505 -1.048 9.515 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.680 0.297 10.037 1.00 0.00 C ATOM 1711 C GLU A 104 -1.492 1.180 9.674 1.00 0.00 C ATOM 1712 O GLU A 104 -1.668 2.308 9.229 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.843 0.236 11.555 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.934 1.143 12.100 1.00 0.00 C ATOM 1715 CD GLU A 104 -3.699 2.604 11.798 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -2.785 3.200 12.408 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -4.446 3.173 10.970 1.00 0.00 O ATOM 0 H GLU A 104 -2.461 -1.772 10.232 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.574 0.732 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.062 -0.792 11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.896 0.504 12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.893 0.841 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.004 1.008 13.179 1.00 0.00 H new ATOM 1724 N SER A 105 -0.285 0.654 9.855 1.00 0.00 N ATOM 1725 CA SER A 105 0.930 1.405 9.546 1.00 0.00 C ATOM 1726 C SER A 105 0.930 1.889 8.089 1.00 0.00 C ATOM 1727 O SER A 105 1.314 3.027 7.801 1.00 0.00 O ATOM 1728 CB SER A 105 2.166 0.543 9.810 1.00 0.00 C ATOM 1729 OG SER A 105 2.209 0.096 11.157 1.00 0.00 O ATOM 0 H SER A 105 -0.121 -0.287 10.213 1.00 0.00 H new ATOM 0 HA SER A 105 0.957 2.280 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.161 -0.317 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.066 1.116 9.587 1.00 0.00 H new ATOM 0 HG SER A 105 1.760 -0.772 11.228 1.00 0.00 H new ATOM 1735 N VAL A 106 0.493 1.024 7.177 1.00 0.00 N ATOM 1736 CA VAL A 106 0.423 1.383 5.765 1.00 0.00 C ATOM 1737 C VAL A 106 -0.687 2.407 5.514 1.00 0.00 C ATOM 1738 O VAL A 106 -0.448 3.462 4.921 1.00 0.00 O ATOM 1739 CB VAL A 106 0.201 0.137 4.877 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.101 0.525 3.413 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.322 -0.871 5.076 1.00 0.00 C ATOM 0 H VAL A 106 0.184 0.075 7.390 1.00 0.00 H new ATOM 0 HA VAL A 106 1.380 1.830 5.497 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.740 -0.324 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.055 -0.369 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.737 1.208 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.024 1.016 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.147 -1.740 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.275 -0.413 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.350 -1.183 6.120 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.889 2.107 5.994 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.049 2.970 5.774 1.00 0.00 C ATOM 1753 C LEU A 107 -2.857 4.351 6.405 1.00 0.00 C ATOM 1754 O LEU A 107 -3.269 5.361 5.832 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.318 2.305 6.316 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.864 1.156 5.461 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.074 0.523 6.125 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.233 1.655 4.070 1.00 0.00 C ATOM 0 H LEU A 107 -2.088 1.269 6.541 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.155 3.113 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.112 1.927 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.094 3.064 6.415 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.083 0.401 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.447 -0.290 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.790 0.131 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.855 1.273 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.619 0.826 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.996 2.429 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.348 2.068 3.585 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.225 4.389 7.574 1.00 0.00 N ATOM 1771 CA TYR A 108 -1.947 5.642 8.275 1.00 0.00 C ATOM 1772 C TYR A 108 -1.164 6.597 7.375 1.00 0.00 C ATOM 1773 O TYR A 108 -1.506 7.778 7.243 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.153 5.349 9.555 1.00 0.00 C ATOM 1775 CG TYR A 108 -0.852 6.567 10.401 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -1.775 7.032 11.329 1.00 0.00 C ATOM 1777 CD2 TYR A 108 0.361 7.239 10.286 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -1.497 8.132 12.117 1.00 0.00 C ATOM 1779 CE2 TYR A 108 0.641 8.341 11.068 1.00 0.00 C ATOM 1780 CZ TYR A 108 -0.290 8.781 11.982 1.00 0.00 C ATOM 1781 OH TYR A 108 -0.009 9.873 12.771 1.00 0.00 O ATOM 0 H TYR A 108 -1.892 3.557 8.062 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.892 6.118 8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.712 4.633 10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.212 4.871 9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.723 6.526 11.436 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.095 6.893 9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.223 8.482 12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.585 8.855 10.964 1.00 0.00 H new ATOM 0 HH TYR A 108 0.883 10.214 12.552 1.00 0.00 H new ATOM 1791 N THR A 109 -0.125 6.069 6.749 1.00 0.00 N ATOM 1792 CA THR A 109 0.709 6.841 5.841 1.00 0.00 C ATOM 1793 C THR A 109 -0.063 7.230 4.584 1.00 0.00 C ATOM 1794 O THR A 109 0.016 8.369 4.122 1.00 0.00 O ATOM 1795 CB THR A 109 1.967 6.042 5.457 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.693 5.688 6.641 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.864 6.839 4.522 1.00 0.00 C ATOM 0 H THR A 109 0.164 5.097 6.855 1.00 0.00 H new ATOM 0 HA THR A 109 1.010 7.753 6.357 1.00 0.00 H new ATOM 0 HB THR A 109 1.651 5.139 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.315 4.869 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.744 6.247 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.316 7.082 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.176 7.760 5.014 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.830 6.284 4.050 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.616 6.526 2.846 1.00 0.00 C ATOM 1807 C LEU A 110 -2.593 7.682 3.051 1.00 0.00 C ATOM 1808 O LEU A 110 -2.774 8.512 2.162 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.373 5.258 2.437 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.490 4.077 2.022 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.338 2.849 1.738 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.652 4.437 0.805 1.00 0.00 C ATOM 0 H LEU A 110 -0.924 5.343 4.433 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.929 6.799 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.003 4.945 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.038 5.502 1.609 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.817 3.847 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.693 2.021 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.894 2.576 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.037 3.068 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.032 3.585 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.309 4.695 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.014 5.289 1.042 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.202 7.745 4.233 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.151 8.814 4.551 1.00 0.00 C ATOM 1826 C HIS A 111 -3.447 10.165 4.579 1.00 0.00 C ATOM 1827 O HIS A 111 -3.996 11.175 4.139 1.00 0.00 O ATOM 1828 CB HIS A 111 -4.827 8.576 5.907 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.652 7.328 5.987 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.108 6.809 7.180 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.102 6.492 5.023 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -6.798 5.712 6.946 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -6.812 5.498 5.645 1.00 0.00 N ATOM 0 H HIS A 111 -3.057 7.072 4.985 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.913 8.812 3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.058 8.537 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.464 9.431 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.933 6.590 3.961 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.272 5.093 7.693 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.276 4.719 5.177 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.223 10.174 5.087 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.465 11.407 5.227 1.00 0.00 C ATOM 1844 C ALA A 112 -1.081 11.977 3.868 1.00 0.00 C ATOM 1845 O ALA A 112 -1.105 13.189 3.663 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.228 11.165 6.071 1.00 0.00 C ATOM 0 H ALA A 112 -1.734 9.339 5.409 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.098 12.140 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.333 12.095 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.525 10.814 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.398 10.413 5.591 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.735 11.095 2.940 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.369 11.511 1.590 1.00 0.00 C ATOM 1854 C VAL A 113 -1.613 11.911 0.803 1.00 0.00 C ATOM 1855 O VAL A 113 -1.619 12.911 0.083 1.00 0.00 O ATOM 1856 CB VAL A 113 0.372 10.385 0.834 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.779 10.838 -0.562 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.590 9.924 1.620 1.00 0.00 C ATOM 0 H VAL A 113 -0.700 10.088 3.096 1.00 0.00 H new ATOM 0 HA VAL A 113 0.300 12.367 1.681 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.313 9.544 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.298 10.026 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.110 11.112 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.441 11.701 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.098 9.131 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.272 10.763 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.274 9.547 2.593 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.667 11.124 0.971 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.940 11.343 0.292 1.00 0.00 C ATOM 1870 C LYS A 114 -4.479 12.750 0.581 1.00 0.00 C ATOM 1871 O LYS A 114 -4.950 13.448 -0.322 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.924 10.260 0.760 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.205 10.113 -0.060 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.253 11.161 0.293 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.662 10.628 0.069 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.885 10.160 -1.327 1.00 0.00 N ATOM 0 H LYS A 114 -2.664 10.310 1.586 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.805 11.273 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.405 9.302 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.201 10.472 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.964 10.189 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.622 9.119 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.136 11.460 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.098 12.053 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.848 9.804 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.384 11.410 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.897 9.968 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.574 10.895 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.340 9.290 -1.493 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.376 13.171 1.839 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.870 14.482 2.259 1.00 0.00 C ATOM 1892 C ASP A 115 -4.057 15.608 1.624 1.00 0.00 C ATOM 1893 O ASP A 115 -4.613 16.610 1.174 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.834 14.602 3.784 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.421 15.911 4.283 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.606 16.186 3.995 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -4.713 16.661 4.984 1.00 0.00 O ATOM 0 H ASP A 115 -3.954 12.622 2.588 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.902 14.575 1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.386 13.771 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.803 14.517 4.127 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.742 15.427 1.574 1.00 0.00 N ATOM 1903 CA GLU A 116 -1.845 16.426 0.998 1.00 0.00 C ATOM 1904 C GLU A 116 -2.129 16.641 -0.486 1.00 0.00 C ATOM 1905 O GLU A 116 -2.119 17.775 -0.968 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.387 16.009 1.194 1.00 0.00 C ATOM 1907 CG GLU A 116 0.105 16.165 2.623 1.00 0.00 C ATOM 1908 CD GLU A 116 0.282 17.616 3.020 1.00 0.00 C ATOM 1909 OE1 GLU A 116 -0.706 18.260 3.427 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.417 18.124 2.925 1.00 0.00 O ATOM 0 H GLU A 116 -2.270 14.594 1.927 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.022 17.368 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.272 14.968 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.244 16.605 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.603 15.690 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.055 15.642 2.736 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.385 15.552 -1.202 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.681 15.626 -2.630 1.00 0.00 C ATOM 1919 C ILE A 117 -3.942 16.454 -2.885 1.00 0.00 C ATOM 1920 O ILE A 117 -3.969 17.307 -3.774 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.845 14.219 -3.254 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.548 13.418 -3.088 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.227 14.324 -4.726 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.619 12.011 -3.639 1.00 0.00 C ATOM 0 H ILE A 117 -2.394 14.607 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.831 16.115 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.648 13.697 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.738 13.951 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.296 13.370 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.337 13.324 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.170 14.863 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.447 14.860 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.663 11.511 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.406 11.458 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.839 12.049 -4.706 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.974 16.215 -2.080 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.223 16.961 -2.195 1.00 0.00 C ATOM 1938 C ALA A 118 -6.035 18.411 -1.750 1.00 0.00 C ATOM 1939 O ALA A 118 -6.694 19.319 -2.259 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.318 16.290 -1.377 1.00 0.00 C ATOM 0 H ALA A 118 -4.970 15.511 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.523 16.965 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.243 16.858 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.475 15.275 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.020 16.256 -0.329 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.124 18.618 -0.806 1.00 0.00 N ATOM 1947 CA ARG A 119 -4.837 19.947 -0.280 1.00 0.00 C ATOM 1948 C ARG A 119 -4.199 20.835 -1.341 1.00 0.00 C ATOM 1949 O ARG A 119 -4.640 21.965 -1.563 1.00 0.00 O ATOM 1950 CB ARG A 119 -3.921 19.837 0.942 1.00 0.00 C ATOM 1951 CG ARG A 119 -3.265 21.146 1.354 1.00 0.00 C ATOM 1952 CD ARG A 119 -2.539 21.007 2.682 1.00 0.00 C ATOM 1953 NE ARG A 119 -3.474 20.959 3.806 1.00 0.00 N ATOM 1954 CZ ARG A 119 -3.856 19.840 4.420 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -3.282 18.680 4.125 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -4.780 19.891 5.374 1.00 0.00 N ATOM 0 H ARG A 119 -4.567 17.874 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.779 20.407 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.500 19.455 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.142 19.104 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.561 21.460 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.022 21.926 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.934 20.101 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.855 21.846 2.813 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.859 21.842 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.543 18.641 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.580 17.828 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.195 20.786 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.074 19.036 5.845 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.175 20.320 -2.004 1.00 0.00 N ATOM 1971 CA GLU A 120 -2.432 21.107 -2.978 1.00 0.00 C ATOM 1972 C GLU A 120 -3.210 21.295 -4.271 1.00 0.00 C ATOM 1973 O GLU A 120 -2.947 22.241 -5.016 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.081 20.472 -3.263 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.159 20.475 -2.058 1.00 0.00 C ATOM 1976 CD GLU A 120 0.007 21.858 -1.458 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.392 22.793 -2.194 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -0.229 22.015 -0.244 1.00 0.00 O ATOM 0 H GLU A 120 -2.840 19.364 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.275 22.094 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.231 19.445 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.600 21.006 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.554 19.799 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.818 20.090 -2.351 1.00 0.00 H new