USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 TYR OH : rot -149:sc= 1.19 USER MOD Set 1.2: A 99 TYR OH : rot 122:sc= 1.57 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -1.24 F(o=-4.7!,f=-3.6) USER MOD Set 2.2: A 86 HIS : no HE2:sc= -2.37 K(o=-3.6,f=-4.2!) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= -0.0152 USER MOD Set 3.2: A 52 GLN :FLIP amide:sc= -0.392 F(o=-1.4,f=-0.41) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.224 F(o=-1.7,f=-0.22) USER MOD Single : A 12 TYR OH : rot -143:sc= 0.28 USER MOD Single : A 14 TYR OH : rot 180:sc=-0.000498 USER MOD Single : A 17 ASN : amide:sc= 0.38 X(o=0.38,f=-0.1) USER MOD Single : A 19 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.9) USER MOD Single : A 23 THR OG1 : rot 59:sc= 0.946 USER MOD Single : A 29 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 32 SER OG : rot -28:sc= 0.228 USER MOD Single : A 34 TYR OH : rot 120:sc= -1.83! USER MOD Single : A 47 ASN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -146:sc= 0.799 USER MOD Single : A 64 SER OG : rot 160:sc= 1.32 USER MOD Single : A 65 THR OG1 : rot 79:sc= 0.519 USER MOD Single : A 71 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= -0.0282 (180deg=-0.167) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.19 (180deg=0.958) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 1.23 (180deg=0.877) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 139:sc= 1.24 (180deg=0.156!) USER MOD Single : A 98 TYR OH : rot -87:sc= 0.788 USER MOD Single : A 103 LYS NZ :NH3+ 171:sc= 0.562 (180deg=0.301) USER MOD Single : B 209 MET CE :methyl 158:sc= -0.232 (180deg=-1.23) USER MOD Single : B 213 SER OG : rot 180:sc=-0.00397 USER MOD Single : B 215 SER OG : rot -82:sc= 0.559 USER MOD Single : C 317 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.508 4.146 -6.439 1.00 0.00 N ATOM 129 CA ASN A 10 5.463 5.230 -6.623 1.00 0.00 C ATOM 130 C ASN A 10 4.914 6.511 -6.005 1.00 0.00 C ATOM 131 O ASN A 10 4.286 7.319 -6.688 1.00 0.00 O ATOM 132 CB ASN A 10 5.763 5.456 -8.117 1.00 0.00 C ATOM 133 CG ASN A 10 6.276 4.216 -8.828 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.571 4.048 -8.884 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 5.490 3.414 -9.334 1.00 0.00 N flip ATOM 0 HA ASN A 10 6.394 4.955 -6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.856 5.800 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.501 6.252 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.485 3.576 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.844 2.588 -9.816 1.00 0.00 H new ATOM 142 N ALA A 11 5.084 6.654 -4.695 1.00 0.00 N ATOM 143 CA ALA A 11 4.565 7.816 -3.963 1.00 0.00 C ATOM 144 C ALA A 11 5.576 8.956 -3.910 1.00 0.00 C ATOM 145 O ALA A 11 5.328 10.001 -3.312 1.00 0.00 O ATOM 146 CB ALA A 11 4.083 7.412 -2.572 1.00 0.00 C ATOM 0 H ALA A 11 5.579 5.979 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 11 3.704 8.195 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.703 8.290 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.288 6.672 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.913 6.985 -2.009 1.00 0.00 H new ATOM 152 N TYR A 12 6.711 8.740 -4.521 1.00 0.00 N ATOM 153 CA TYR A 12 7.693 9.774 -4.674 1.00 0.00 C ATOM 154 C TYR A 12 7.667 10.243 -6.104 1.00 0.00 C ATOM 155 O TYR A 12 7.520 9.445 -7.032 1.00 0.00 O ATOM 156 CB TYR A 12 9.107 9.318 -4.262 1.00 0.00 C ATOM 157 CG TYR A 12 9.386 9.408 -2.765 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.987 8.411 -1.883 1.00 0.00 C ATOM 159 CD2 TYR A 12 10.066 10.506 -2.244 1.00 0.00 C ATOM 160 CE1 TYR A 12 9.256 8.511 -0.523 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.338 10.614 -0.891 1.00 0.00 C ATOM 162 CZ TYR A 12 9.933 9.619 -0.033 1.00 0.00 C ATOM 163 OH TYR A 12 10.212 9.719 1.325 1.00 0.00 O ATOM 0 H TYR A 12 6.978 7.842 -4.925 1.00 0.00 H new ATOM 0 HA TYR A 12 7.442 10.595 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.252 8.287 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.841 9.925 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.461 7.546 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.389 11.292 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.939 7.729 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.866 11.476 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 12 10.118 10.652 1.611 1.00 0.00 H new ATOM 173 N ILE A 13 7.743 11.502 -6.292 1.00 0.00 N ATOM 174 CA ILE A 13 7.710 12.041 -7.603 1.00 0.00 C ATOM 175 C ILE A 13 9.052 12.572 -8.013 1.00 0.00 C ATOM 176 O ILE A 13 9.782 13.167 -7.211 1.00 0.00 O ATOM 177 CB ILE A 13 6.600 13.105 -7.787 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.736 14.243 -6.767 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.233 12.448 -7.699 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.633 15.271 -6.832 1.00 0.00 C ATOM 0 H ILE A 13 7.830 12.193 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 13 7.459 11.215 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 13 6.711 13.549 -8.776 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.760 13.816 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.692 14.743 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.457 13.203 -7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.141 11.694 -8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.119 11.975 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.806 16.039 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.621 15.730 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.674 14.788 -6.644 1.00 0.00 H new ATOM 192 N TYR A 14 9.375 12.304 -9.235 1.00 0.00 N ATOM 193 CA TYR A 14 10.585 12.739 -9.861 1.00 0.00 C ATOM 194 C TYR A 14 10.364 14.119 -10.388 1.00 0.00 C ATOM 195 O TYR A 14 9.441 14.338 -11.149 1.00 0.00 O ATOM 196 CB TYR A 14 10.943 11.769 -11.016 1.00 0.00 C ATOM 197 CG TYR A 14 11.889 12.321 -12.086 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.271 12.313 -11.924 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.372 12.843 -13.274 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.103 12.807 -12.916 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.190 13.339 -14.261 1.00 0.00 C ATOM 202 CZ TYR A 14 13.555 13.319 -14.081 1.00 0.00 C ATOM 203 OH TYR A 14 14.380 13.805 -15.072 1.00 0.00 O ATOM 0 H TYR A 14 8.779 11.753 -9.853 1.00 0.00 H new ATOM 0 HA TYR A 14 11.409 12.745 -9.148 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.394 10.875 -10.586 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.019 11.457 -11.502 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.700 11.917 -11.015 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.302 12.857 -13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.175 12.793 -12.782 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.766 13.741 -15.169 1.00 0.00 H new ATOM 0 HH TYR A 14 13.837 14.126 -15.822 1.00 0.00 H new ATOM 213 N ILE A 15 11.143 15.038 -9.953 1.00 0.00 N ATOM 214 CA ILE A 15 11.071 16.361 -10.466 1.00 0.00 C ATOM 215 C ILE A 15 12.404 16.624 -11.129 1.00 0.00 C ATOM 216 O ILE A 15 13.440 16.626 -10.472 1.00 0.00 O ATOM 217 CB ILE A 15 10.824 17.415 -9.354 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.727 16.929 -8.393 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.383 18.735 -10.000 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.494 17.845 -7.215 1.00 0.00 C ATOM 0 H ILE A 15 11.850 14.898 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 15 10.233 16.446 -11.158 1.00 0.00 H new ATOM 0 HB ILE A 15 11.746 17.563 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.794 16.821 -8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.994 15.939 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.208 19.480 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.164 19.089 -10.673 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.464 18.575 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.706 17.433 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.413 17.934 -6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.195 18.830 -7.574 1.00 0.00 H new ATOM 232 N GLY A 16 12.396 16.782 -12.405 1.00 0.00 N ATOM 233 CA GLY A 16 13.619 16.968 -13.118 1.00 0.00 C ATOM 234 C GLY A 16 13.589 18.174 -13.997 1.00 0.00 C ATOM 235 O GLY A 16 12.529 18.804 -14.152 1.00 0.00 O ATOM 0 H GLY A 16 11.555 16.787 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.440 17.061 -12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.820 16.085 -13.724 1.00 0.00 H new ATOM 239 N ASN A 17 14.760 18.508 -14.542 1.00 0.00 N ATOM 240 CA ASN A 17 14.959 19.623 -15.490 1.00 0.00 C ATOM 241 C ASN A 17 14.827 20.977 -14.754 1.00 0.00 C ATOM 242 O ASN A 17 14.416 21.988 -15.320 1.00 0.00 O ATOM 243 CB ASN A 17 13.978 19.496 -16.704 1.00 0.00 C ATOM 244 CG ASN A 17 14.357 20.355 -17.925 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.131 19.926 -18.788 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.773 21.506 -18.056 1.00 0.00 N ATOM 0 H ASN A 17 15.622 18.003 -14.336 1.00 0.00 H new ATOM 0 HA ASN A 17 15.969 19.576 -15.898 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.933 18.451 -17.011 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.977 19.775 -16.376 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.949 22.076 -18.883 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.138 21.841 -17.332 1.00 0.00 H new ATOM 253 N LEU A 18 15.243 20.993 -13.488 1.00 0.00 N ATOM 254 CA LEU A 18 15.205 22.213 -12.686 1.00 0.00 C ATOM 255 C LEU A 18 16.428 23.057 -12.937 1.00 0.00 C ATOM 256 O LEU A 18 17.419 22.606 -13.541 1.00 0.00 O ATOM 257 CB LEU A 18 15.135 21.959 -11.157 1.00 0.00 C ATOM 258 CG LEU A 18 13.866 21.366 -10.555 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.726 19.913 -10.901 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.858 21.557 -9.049 1.00 0.00 C ATOM 0 H LEU A 18 15.609 20.177 -12.998 1.00 0.00 H new ATOM 0 HA LEU A 18 14.291 22.719 -12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.961 21.297 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.320 22.910 -10.658 1.00 0.00 H new ATOM 0 HG LEU A 18 13.013 21.894 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.811 19.520 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.681 19.800 -11.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.583 19.362 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.946 21.129 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.724 21.058 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.898 22.621 -8.817 1.00 0.00 H new ATOM 272 N ASN A 19 16.351 24.274 -12.466 1.00 0.00 N ATOM 273 CA ASN A 19 17.442 25.217 -12.494 1.00 0.00 C ATOM 274 C ASN A 19 18.403 24.884 -11.374 1.00 0.00 C ATOM 275 O ASN A 19 18.092 24.073 -10.498 1.00 0.00 O ATOM 276 CB ASN A 19 16.917 26.637 -12.300 1.00 0.00 C ATOM 277 CG ASN A 19 16.052 27.127 -13.426 1.00 0.00 C ATOM 278 OD1 ASN A 19 14.870 26.869 -13.436 1.00 0.00 O ATOM 279 ND2 ASN A 19 16.616 27.882 -14.345 1.00 0.00 N ATOM 0 H ASN A 19 15.504 24.649 -12.040 1.00 0.00 H new ATOM 0 HA ASN A 19 17.948 25.156 -13.458 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.346 26.679 -11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.764 27.314 -12.185 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.053 28.273 -15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.616 28.077 -14.302 1.00 0.00 H new ATOM 286 N ARG A 20 19.535 25.517 -11.375 1.00 0.00 N ATOM 287 CA ARG A 20 20.562 25.236 -10.402 1.00 0.00 C ATOM 288 C ARG A 20 20.251 25.970 -9.085 1.00 0.00 C ATOM 289 O ARG A 20 20.540 25.476 -8.001 1.00 0.00 O ATOM 290 CB ARG A 20 21.911 25.693 -10.961 1.00 0.00 C ATOM 291 CG ARG A 20 23.133 25.154 -10.232 1.00 0.00 C ATOM 292 CD ARG A 20 23.274 23.647 -10.423 1.00 0.00 C ATOM 293 NE ARG A 20 23.339 23.257 -11.848 1.00 0.00 N ATOM 294 CZ ARG A 20 23.409 21.983 -12.302 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.542 20.969 -11.453 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.382 21.736 -13.605 1.00 0.00 N ATOM 0 H ARG A 20 19.780 26.244 -12.047 1.00 0.00 H new ATOM 0 HA ARG A 20 20.598 24.166 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.972 25.395 -12.008 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.945 26.782 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.029 25.655 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.055 25.382 -9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.175 23.303 -9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.430 23.144 -9.951 1.00 0.00 H new ATOM 0 HE ARG A 20 23.330 24.005 -12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.592 21.147 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.594 20.013 -11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.308 22.507 -14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.435 20.775 -13.943 1.00 0.00 H new ATOM 310 N GLU A 21 19.637 27.132 -9.207 1.00 0.00 N ATOM 311 CA GLU A 21 19.325 27.988 -8.070 1.00 0.00 C ATOM 312 C GLU A 21 17.980 27.667 -7.391 1.00 0.00 C ATOM 313 O GLU A 21 17.647 28.267 -6.365 1.00 0.00 O ATOM 314 CB GLU A 21 19.433 29.502 -8.423 1.00 0.00 C ATOM 315 CG GLU A 21 18.698 29.953 -9.669 1.00 0.00 C ATOM 316 CD GLU A 21 19.405 29.616 -10.965 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.300 28.488 -11.444 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 20.082 30.497 -11.532 1.00 0.00 O ATOM 0 H GLU A 21 19.337 27.514 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 21 20.094 27.759 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.059 30.078 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.488 29.753 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.709 29.496 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.550 31.032 -9.619 1.00 0.00 H new ATOM 325 N LEU A 22 17.224 26.734 -7.943 1.00 0.00 N ATOM 326 CA LEU A 22 15.957 26.329 -7.325 1.00 0.00 C ATOM 327 C LEU A 22 16.219 25.346 -6.196 1.00 0.00 C ATOM 328 O LEU A 22 16.897 24.331 -6.384 1.00 0.00 O ATOM 329 CB LEU A 22 14.979 25.732 -8.353 1.00 0.00 C ATOM 330 CG LEU A 22 14.424 26.712 -9.399 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.642 25.977 -10.461 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.520 27.737 -8.739 1.00 0.00 C ATOM 0 H LEU A 22 17.454 26.243 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 22 15.485 27.223 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.483 24.920 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.140 25.292 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 22 15.271 27.217 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.259 26.691 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.293 25.261 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.809 25.448 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.136 28.423 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.687 27.228 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.087 28.297 -7.995 1.00 0.00 H new ATOM 344 N THR A 23 15.738 25.673 -5.039 1.00 0.00 N ATOM 345 CA THR A 23 15.924 24.864 -3.852 1.00 0.00 C ATOM 346 C THR A 23 14.592 24.223 -3.416 1.00 0.00 C ATOM 347 O THR A 23 13.549 24.481 -4.023 1.00 0.00 O ATOM 348 CB THR A 23 16.594 25.730 -2.715 1.00 0.00 C ATOM 349 OG1 THR A 23 16.571 25.109 -1.422 1.00 0.00 O ATOM 350 CG2 THR A 23 15.959 27.071 -2.617 1.00 0.00 C ATOM 0 H THR A 23 15.195 26.521 -4.878 1.00 0.00 H new ATOM 0 HA THR A 23 16.602 24.039 -4.071 1.00 0.00 H new ATOM 0 HB THR A 23 17.638 25.826 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 17.035 24.247 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.441 27.645 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.070 27.596 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.900 26.956 -2.388 1.00 0.00 H new ATOM 358 N GLU A 24 14.647 23.375 -2.378 1.00 0.00 N ATOM 359 CA GLU A 24 13.497 22.667 -1.798 1.00 0.00 C ATOM 360 C GLU A 24 12.358 23.636 -1.527 1.00 0.00 C ATOM 361 O GLU A 24 11.191 23.325 -1.751 1.00 0.00 O ATOM 362 CB GLU A 24 13.854 22.001 -0.443 1.00 0.00 C ATOM 363 CG GLU A 24 15.171 21.243 -0.391 1.00 0.00 C ATOM 364 CD GLU A 24 16.363 22.181 -0.294 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.637 22.710 0.791 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 16.990 22.473 -1.342 1.00 0.00 O ATOM 0 H GLU A 24 15.523 23.156 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 24 13.207 21.906 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.874 22.775 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.052 21.312 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.168 20.570 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.268 20.624 -1.283 1.00 0.00 H new ATOM 373 N GLY A 25 12.727 24.825 -1.067 1.00 0.00 N ATOM 374 CA GLY A 25 11.764 25.842 -0.723 1.00 0.00 C ATOM 375 C GLY A 25 10.960 26.306 -1.914 1.00 0.00 C ATOM 376 O GLY A 25 9.763 26.580 -1.791 1.00 0.00 O ATOM 0 H GLY A 25 13.698 25.102 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.088 25.454 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.282 26.695 -0.285 1.00 0.00 H new ATOM 380 N ASP A 26 11.602 26.368 -3.068 1.00 0.00 N ATOM 381 CA ASP A 26 10.936 26.771 -4.320 1.00 0.00 C ATOM 382 C ASP A 26 9.933 25.746 -4.700 1.00 0.00 C ATOM 383 O ASP A 26 8.786 26.054 -5.039 1.00 0.00 O ATOM 384 CB ASP A 26 11.927 26.894 -5.468 1.00 0.00 C ATOM 385 CG ASP A 26 12.834 28.051 -5.325 1.00 0.00 C ATOM 386 OD1 ASP A 26 12.386 29.180 -5.584 1.00 0.00 O ATOM 387 OD2 ASP A 26 14.017 27.860 -4.977 1.00 0.00 O1- ATOM 0 H ASP A 26 12.591 26.145 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 26 10.468 27.739 -4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.519 25.981 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.379 26.982 -6.406 1.00 0.00 H new ATOM 392 N ILE A 27 10.370 24.523 -4.600 1.00 0.00 N ATOM 393 CA ILE A 27 9.596 23.356 -4.925 1.00 0.00 C ATOM 394 C ILE A 27 8.346 23.295 -4.031 1.00 0.00 C ATOM 395 O ILE A 27 7.250 22.968 -4.486 1.00 0.00 O ATOM 396 CB ILE A 27 10.487 22.109 -4.748 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.744 22.288 -5.618 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.735 20.855 -5.163 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.865 21.325 -5.329 1.00 0.00 C ATOM 0 H ILE A 27 11.312 24.302 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 27 9.256 23.397 -5.960 1.00 0.00 H new ATOM 0 HB ILE A 27 10.768 22.000 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.459 22.186 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.116 23.304 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.378 19.985 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.844 20.744 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.443 20.936 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.704 21.533 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.185 21.440 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.519 20.304 -5.491 1.00 0.00 H new ATOM 411 N LEU A 28 8.513 23.661 -2.782 1.00 0.00 N ATOM 412 CA LEU A 28 7.403 23.745 -1.851 1.00 0.00 C ATOM 413 C LEU A 28 6.463 24.880 -2.239 1.00 0.00 C ATOM 414 O LEU A 28 5.258 24.702 -2.265 1.00 0.00 O ATOM 415 CB LEU A 28 7.918 23.937 -0.428 1.00 0.00 C ATOM 416 CG LEU A 28 8.727 22.774 0.139 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.337 23.151 1.465 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.844 21.548 0.299 1.00 0.00 C ATOM 0 H LEU A 28 9.417 23.909 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 28 6.844 22.810 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.536 24.834 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.066 24.118 0.227 1.00 0.00 H new ATOM 0 HG LEU A 28 9.531 22.540 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.910 22.310 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.997 24.008 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.546 23.408 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.433 20.726 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.024 21.777 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.440 21.261 -0.672 1.00 0.00 H new ATOM 430 N THR A 29 7.037 26.019 -2.596 1.00 0.00 N ATOM 431 CA THR A 29 6.273 27.204 -2.995 1.00 0.00 C ATOM 432 C THR A 29 5.356 26.894 -4.212 1.00 0.00 C ATOM 433 O THR A 29 4.224 27.411 -4.325 1.00 0.00 O ATOM 434 CB THR A 29 7.239 28.380 -3.340 1.00 0.00 C ATOM 435 OG1 THR A 29 8.101 28.647 -2.211 1.00 0.00 O ATOM 436 CG2 THR A 29 6.472 29.657 -3.697 1.00 0.00 C ATOM 0 H THR A 29 8.048 26.154 -2.619 1.00 0.00 H new ATOM 0 HA THR A 29 5.641 27.496 -2.156 1.00 0.00 H new ATOM 0 HB THR A 29 7.829 28.082 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.802 27.963 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.179 30.453 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.837 29.470 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.853 29.958 -2.852 1.00 0.00 H new ATOM 444 N VAL A 30 5.853 26.079 -5.120 1.00 0.00 N ATOM 445 CA VAL A 30 5.068 25.675 -6.261 1.00 0.00 C ATOM 446 C VAL A 30 4.079 24.521 -5.969 1.00 0.00 C ATOM 447 O VAL A 30 2.928 24.578 -6.385 1.00 0.00 O ATOM 448 CB VAL A 30 5.910 25.434 -7.564 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.430 26.758 -8.091 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.092 24.513 -7.317 1.00 0.00 C ATOM 0 H VAL A 30 6.794 25.686 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 30 4.447 26.546 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 30 5.251 24.961 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.014 26.586 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.590 27.413 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.061 27.228 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.646 24.375 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.747 24.955 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.733 23.547 -6.961 1.00 0.00 H new ATOM 460 N PHE A 31 4.507 23.520 -5.214 1.00 0.00 N ATOM 461 CA PHE A 31 3.679 22.316 -4.974 1.00 0.00 C ATOM 462 C PHE A 31 2.686 22.451 -3.814 1.00 0.00 C ATOM 463 O PHE A 31 1.763 21.651 -3.688 1.00 0.00 O ATOM 464 CB PHE A 31 4.555 21.062 -4.782 1.00 0.00 C ATOM 465 CG PHE A 31 5.202 20.529 -6.043 1.00 0.00 C ATOM 466 CD1 PHE A 31 5.527 21.365 -7.092 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.504 19.188 -6.161 1.00 0.00 C ATOM 468 CE1 PHE A 31 6.136 20.888 -8.227 1.00 0.00 C ATOM 469 CE2 PHE A 31 6.109 18.703 -7.300 1.00 0.00 C ATOM 470 CZ PHE A 31 6.425 19.557 -8.330 1.00 0.00 C ATOM 0 H PHE A 31 5.417 23.504 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 31 3.077 22.206 -5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.339 21.293 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.942 20.273 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.297 22.418 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.264 18.512 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.385 21.562 -9.034 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.335 17.650 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.902 19.175 -9.221 1.00 0.00 H new ATOM 480 N SER A 32 2.855 23.444 -2.984 1.00 0.00 N ATOM 481 CA SER A 32 1.969 23.637 -1.845 1.00 0.00 C ATOM 482 C SER A 32 0.634 24.299 -2.268 1.00 0.00 C ATOM 483 O SER A 32 -0.284 24.445 -1.454 1.00 0.00 O ATOM 484 CB SER A 32 2.683 24.420 -0.716 1.00 0.00 C ATOM 485 OG SER A 32 1.903 24.470 0.464 1.00 0.00 O ATOM 0 H SER A 32 3.597 24.139 -3.067 1.00 0.00 H new ATOM 0 HA SER A 32 1.714 22.656 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.642 23.950 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.895 25.434 -1.055 1.00 0.00 H new ATOM 0 HG SER A 32 0.953 24.415 0.231 1.00 0.00 H new ATOM 491 N GLU A 33 0.570 24.722 -3.524 1.00 0.00 N ATOM 492 CA GLU A 33 -0.593 25.411 -4.098 1.00 0.00 C ATOM 493 C GLU A 33 -1.829 24.508 -4.073 1.00 0.00 C ATOM 494 O GLU A 33 -2.867 24.857 -3.512 1.00 0.00 O ATOM 495 CB GLU A 33 -0.225 25.823 -5.542 1.00 0.00 C ATOM 496 CG GLU A 33 -1.103 26.886 -6.210 1.00 0.00 C ATOM 497 CD GLU A 33 -2.420 26.427 -6.778 1.00 0.00 C ATOM 498 OE1 GLU A 33 -2.406 25.813 -7.843 1.00 0.00 O ATOM 499 OE2 GLU A 33 -3.483 26.793 -6.238 1.00 0.00 O1- ATOM 0 H GLU A 33 1.334 24.597 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.841 26.295 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.803 26.187 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.244 24.928 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.304 27.668 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.528 27.343 -7.015 1.00 0.00 H new ATOM 506 N TYR A 34 -1.678 23.333 -4.610 1.00 0.00 N ATOM 507 CA TYR A 34 -2.785 22.417 -4.770 1.00 0.00 C ATOM 508 C TYR A 34 -2.622 21.175 -3.897 1.00 0.00 C ATOM 509 O TYR A 34 -3.159 20.117 -4.210 1.00 0.00 O ATOM 510 CB TYR A 34 -2.937 22.046 -6.265 1.00 0.00 C ATOM 511 CG TYR A 34 -1.665 21.522 -6.915 1.00 0.00 C ATOM 512 CD1 TYR A 34 -0.753 22.390 -7.494 1.00 0.00 C ATOM 513 CD2 TYR A 34 -1.381 20.169 -6.943 1.00 0.00 C ATOM 514 CE1 TYR A 34 0.391 21.926 -8.072 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.233 19.697 -7.522 1.00 0.00 C ATOM 516 CZ TYR A 34 0.651 20.580 -8.085 1.00 0.00 C ATOM 517 OH TYR A 34 1.800 20.120 -8.660 1.00 0.00 O ATOM 0 H TYR A 34 -0.786 22.976 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.697 22.911 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.718 21.291 -6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.275 22.926 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.952 23.452 -7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.077 19.472 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.091 22.617 -8.519 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.026 18.637 -7.535 1.00 0.00 H new ATOM 0 HH TYR A 34 2.333 19.644 -7.990 1.00 0.00 H new ATOM 527 N GLY A 35 -1.906 21.305 -2.798 1.00 0.00 N ATOM 528 CA GLY A 35 -1.752 20.180 -1.914 1.00 0.00 C ATOM 529 C GLY A 35 -0.675 20.391 -0.890 1.00 0.00 C ATOM 530 O GLY A 35 -0.081 21.471 -0.814 1.00 0.00 O ATOM 0 H GLY A 35 -1.433 22.160 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.698 19.990 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.521 19.291 -2.501 1.00 0.00 H new ATOM 534 N VAL A 36 -0.422 19.369 -0.100 1.00 0.00 N ATOM 535 CA VAL A 36 0.584 19.429 0.938 1.00 0.00 C ATOM 536 C VAL A 36 1.717 18.435 0.652 1.00 0.00 C ATOM 537 O VAL A 36 1.491 17.214 0.602 1.00 0.00 O ATOM 538 CB VAL A 36 -0.015 19.135 2.358 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.078 19.124 3.424 1.00 0.00 C ATOM 540 CG2 VAL A 36 -1.075 20.164 2.726 1.00 0.00 C ATOM 0 H VAL A 36 -0.908 18.474 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 36 0.977 20.446 0.937 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.477 18.149 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.634 18.918 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.809 18.351 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.572 20.095 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.474 19.938 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.629 21.159 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.881 20.134 1.993 1.00 0.00 H new ATOM 550 N PRO A 37 2.917 18.937 0.368 1.00 0.00 N ATOM 551 CA PRO A 37 4.113 18.108 0.274 1.00 0.00 C ATOM 552 C PRO A 37 4.538 17.687 1.678 1.00 0.00 C ATOM 553 O PRO A 37 4.699 18.533 2.556 1.00 0.00 O ATOM 554 CB PRO A 37 5.169 19.060 -0.319 1.00 0.00 C ATOM 555 CG PRO A 37 4.404 20.234 -0.823 1.00 0.00 C ATOM 556 CD PRO A 37 3.211 20.344 0.067 1.00 0.00 C ATOM 0 HA PRO A 37 3.970 17.205 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.896 19.359 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.725 18.578 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.007 21.141 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.107 20.092 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.427 20.917 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.376 20.837 -0.431 1.00 0.00 H new ATOM 564 N VAL A 38 4.708 16.407 1.899 1.00 0.00 N ATOM 565 CA VAL A 38 5.055 15.942 3.229 1.00 0.00 C ATOM 566 C VAL A 38 6.544 15.691 3.353 1.00 0.00 C ATOM 567 O VAL A 38 7.088 15.662 4.464 1.00 0.00 O ATOM 568 CB VAL A 38 4.253 14.675 3.669 1.00 0.00 C ATOM 569 CG1 VAL A 38 2.765 14.959 3.676 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.559 13.473 2.787 1.00 0.00 C ATOM 0 H VAL A 38 4.615 15.676 1.193 1.00 0.00 H new ATOM 0 HA VAL A 38 4.772 16.747 3.908 1.00 0.00 H new ATOM 0 HB VAL A 38 4.570 14.428 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.225 14.064 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.553 15.770 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.445 15.248 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.980 12.615 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.294 13.702 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.622 13.240 2.845 1.00 0.00 H new ATOM 580 N ASP A 39 7.199 15.510 2.222 1.00 0.00 N ATOM 581 CA ASP A 39 8.626 15.243 2.203 1.00 0.00 C ATOM 582 C ASP A 39 9.164 15.822 0.912 1.00 0.00 C ATOM 583 O ASP A 39 8.501 15.711 -0.128 1.00 0.00 O ATOM 584 CB ASP A 39 8.847 13.728 2.199 1.00 0.00 C ATOM 585 CG ASP A 39 10.123 13.276 2.868 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.991 14.099 3.179 1.00 0.00 O1- ATOM 587 OD2 ASP A 39 10.223 12.052 3.183 1.00 0.00 O ATOM 0 H ASP A 39 6.764 15.543 1.300 1.00 0.00 H new ATOM 0 HA ASP A 39 9.123 15.678 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.003 13.250 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.850 13.377 1.167 1.00 0.00 H new ATOM 592 N VAL A 40 10.308 16.448 0.954 1.00 0.00 N ATOM 593 CA VAL A 40 10.894 17.035 -0.244 1.00 0.00 C ATOM 594 C VAL A 40 12.410 16.948 -0.189 1.00 0.00 C ATOM 595 O VAL A 40 13.044 17.429 0.734 1.00 0.00 O ATOM 596 CB VAL A 40 10.424 18.517 -0.503 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.828 19.460 0.624 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.944 19.030 -1.843 1.00 0.00 C ATOM 0 H VAL A 40 10.862 16.571 1.801 1.00 0.00 H new ATOM 0 HA VAL A 40 10.532 16.450 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 40 9.335 18.499 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.481 20.468 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.379 19.123 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.913 19.464 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.605 20.055 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.034 19.004 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.565 18.398 -2.646 1.00 0.00 H new ATOM 608 N ILE A 41 12.984 16.324 -1.154 1.00 0.00 N ATOM 609 CA ILE A 41 14.396 16.166 -1.170 1.00 0.00 C ATOM 610 C ILE A 41 14.976 16.644 -2.478 1.00 0.00 C ATOM 611 O ILE A 41 14.695 16.096 -3.554 1.00 0.00 O ATOM 612 CB ILE A 41 14.896 14.713 -0.786 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.352 13.585 -1.712 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.533 14.398 0.659 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.901 13.178 -1.470 1.00 0.00 C ATOM 0 H ILE A 41 12.495 15.911 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 41 14.778 16.803 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 41 15.978 14.729 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.452 13.910 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 41 14.983 12.704 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.882 13.397 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.006 15.125 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.451 14.447 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.624 12.387 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.790 12.816 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.251 14.040 -1.622 1.00 0.00 H new ATOM 627 N LEU A 42 15.747 17.691 -2.397 1.00 0.00 N ATOM 628 CA LEU A 42 16.374 18.256 -3.552 1.00 0.00 C ATOM 629 C LEU A 42 17.647 17.489 -3.761 1.00 0.00 C ATOM 630 O LEU A 42 18.503 17.438 -2.856 1.00 0.00 O ATOM 631 CB LEU A 42 16.596 19.789 -3.328 1.00 0.00 C ATOM 632 CG LEU A 42 17.259 20.666 -4.437 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.745 20.437 -4.551 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.582 20.470 -5.778 1.00 0.00 C ATOM 0 H LEU A 42 15.957 18.176 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 42 15.763 18.175 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.621 20.227 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.201 19.898 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 42 17.119 21.702 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.152 21.073 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.224 20.680 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.934 19.392 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 42 17.069 21.095 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.658 19.424 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.531 20.750 -5.700 1.00 0.00 H new ATOM 646 N SER A 43 17.764 16.866 -4.912 1.00 0.00 N ATOM 647 CA SER A 43 18.895 16.059 -5.214 1.00 0.00 C ATOM 648 C SER A 43 20.087 16.976 -5.383 1.00 0.00 C ATOM 649 O SER A 43 20.176 17.760 -6.333 1.00 0.00 O ATOM 650 CB SER A 43 18.640 15.197 -6.477 1.00 0.00 C ATOM 651 OG SER A 43 19.641 14.198 -6.662 1.00 0.00 O ATOM 0 H SER A 43 17.069 16.913 -5.658 1.00 0.00 H new ATOM 0 HA SER A 43 19.091 15.358 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.664 14.719 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.608 15.843 -7.354 1.00 0.00 H new ATOM 0 HG SER A 43 19.439 13.678 -7.468 1.00 0.00 H new ATOM 657 N ARG A 44 20.923 16.940 -4.412 1.00 0.00 N ATOM 658 CA ARG A 44 22.110 17.707 -4.362 1.00 0.00 C ATOM 659 C ARG A 44 23.218 16.748 -4.079 1.00 0.00 C ATOM 660 O ARG A 44 23.000 15.750 -3.390 1.00 0.00 O ATOM 661 CB ARG A 44 22.007 18.801 -3.283 1.00 0.00 C ATOM 662 CG ARG A 44 21.581 18.281 -1.921 1.00 0.00 C ATOM 663 CD ARG A 44 21.511 19.385 -0.893 1.00 0.00 C ATOM 664 NE ARG A 44 20.492 20.404 -1.176 1.00 0.00 N ATOM 665 CZ ARG A 44 20.595 21.686 -0.780 1.00 0.00 C ATOM 666 NH1 ARG A 44 21.719 22.138 -0.248 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.589 22.521 -0.910 1.00 0.00 N ATOM 0 H ARG A 44 20.791 16.347 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 44 22.290 18.229 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.974 19.295 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.294 19.557 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.606 17.801 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.285 17.518 -1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 44 21.308 18.945 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.485 19.869 -0.828 1.00 0.00 H new ATOM 0 HE ARG A 44 19.663 20.125 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 44 22.517 21.513 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 44 21.787 23.111 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.710 22.201 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.687 23.489 -0.604 1.00 0.00 H new ATOM 681 N ASP A 45 24.364 16.993 -4.644 1.00 0.00 N ATOM 682 CA ASP A 45 25.479 16.079 -4.507 1.00 0.00 C ATOM 683 C ASP A 45 25.942 15.963 -3.054 1.00 0.00 C ATOM 684 O ASP A 45 26.080 16.957 -2.367 1.00 0.00 O ATOM 685 CB ASP A 45 26.627 16.464 -5.433 1.00 0.00 C ATOM 686 CG ASP A 45 27.786 15.523 -5.294 1.00 0.00 C ATOM 687 OD1 ASP A 45 27.776 14.445 -5.910 1.00 0.00 O ATOM 688 OD2 ASP A 45 28.693 15.825 -4.529 1.00 0.00 O1- ATOM 0 H ASP A 45 24.559 17.820 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 45 25.130 15.092 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.278 16.463 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.953 17.479 -5.207 1.00 0.00 H new ATOM 693 N GLU A 46 26.177 14.747 -2.621 1.00 0.00 N ATOM 694 CA GLU A 46 26.537 14.425 -1.237 1.00 0.00 C ATOM 695 C GLU A 46 27.979 14.855 -0.892 1.00 0.00 C ATOM 696 O GLU A 46 28.345 14.980 0.293 1.00 0.00 O ATOM 697 CB GLU A 46 26.373 12.913 -1.051 1.00 0.00 C ATOM 698 CG GLU A 46 26.591 12.372 0.355 1.00 0.00 C ATOM 699 CD GLU A 46 26.536 10.856 0.382 1.00 0.00 C ATOM 700 OE1 GLU A 46 25.441 10.270 0.544 1.00 0.00 O ATOM 701 OE2 GLU A 46 27.586 10.208 0.215 1.00 0.00 O1- ATOM 0 H GLU A 46 26.125 13.927 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 46 25.882 14.976 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.368 12.637 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.069 12.410 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.558 12.709 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.831 12.777 1.024 1.00 0.00 H new ATOM 708 N ASN A 47 28.769 15.103 -1.900 1.00 0.00 N ATOM 709 CA ASN A 47 30.171 15.406 -1.720 1.00 0.00 C ATOM 710 C ASN A 47 30.368 16.900 -1.695 1.00 0.00 C ATOM 711 O ASN A 47 30.796 17.467 -0.697 1.00 0.00 O ATOM 712 CB ASN A 47 31.003 14.819 -2.880 1.00 0.00 C ATOM 713 CG ASN A 47 30.720 13.355 -3.155 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.346 12.462 -2.589 1.00 0.00 O ATOM 715 ND2 ASN A 47 29.783 13.095 -4.038 1.00 0.00 N ATOM 0 H ASN A 47 28.463 15.102 -2.873 1.00 0.00 H new ATOM 0 HA ASN A 47 30.500 14.966 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.805 15.394 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.062 14.938 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 47 29.557 12.128 -4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 47 29.282 13.860 -4.490 1.00 0.00 H new ATOM 722 N THR A 48 30.002 17.539 -2.772 1.00 0.00 N ATOM 723 CA THR A 48 30.257 18.961 -2.933 1.00 0.00 C ATOM 724 C THR A 48 29.040 19.804 -2.536 1.00 0.00 C ATOM 725 O THR A 48 29.164 21.006 -2.278 1.00 0.00 O ATOM 726 CB THR A 48 30.736 19.292 -4.387 1.00 0.00 C ATOM 727 OG1 THR A 48 30.988 20.694 -4.563 1.00 0.00 O ATOM 728 CG2 THR A 48 29.738 18.813 -5.420 1.00 0.00 C ATOM 0 H THR A 48 29.523 17.103 -3.560 1.00 0.00 H new ATOM 0 HA THR A 48 31.066 19.225 -2.252 1.00 0.00 H new ATOM 0 HB THR A 48 31.675 18.758 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 48 31.286 20.860 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.101 19.059 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.615 17.733 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.778 19.302 -5.253 1.00 0.00 H new ATOM 736 N GLY A 49 27.886 19.171 -2.439 1.00 0.00 N ATOM 737 CA GLY A 49 26.682 19.877 -2.073 1.00 0.00 C ATOM 738 C GLY A 49 26.180 20.803 -3.145 1.00 0.00 C ATOM 739 O GLY A 49 25.690 21.886 -2.846 1.00 0.00 O ATOM 0 H GLY A 49 27.761 18.173 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.903 19.152 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.869 20.452 -1.166 1.00 0.00 H new ATOM 743 N GLU A 50 26.313 20.414 -4.388 1.00 0.00 N ATOM 744 CA GLU A 50 25.798 21.232 -5.447 1.00 0.00 C ATOM 745 C GLU A 50 24.444 20.702 -5.865 1.00 0.00 C ATOM 746 O GLU A 50 24.218 19.482 -5.846 1.00 0.00 O ATOM 747 CB GLU A 50 26.812 21.376 -6.626 1.00 0.00 C ATOM 748 CG GLU A 50 27.137 20.119 -7.448 1.00 0.00 C ATOM 749 CD GLU A 50 26.130 19.799 -8.541 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.022 20.577 -9.513 1.00 0.00 O ATOM 751 OE2 GLU A 50 25.521 18.715 -8.511 1.00 0.00 O1- ATOM 0 H GLU A 50 26.766 19.550 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 50 25.658 22.251 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.426 22.133 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.747 21.761 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.120 20.242 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.203 19.266 -6.772 1.00 0.00 H new ATOM 758 N SER A 51 23.532 21.600 -6.116 1.00 0.00 N ATOM 759 CA SER A 51 22.200 21.278 -6.556 1.00 0.00 C ATOM 760 C SER A 51 22.277 20.585 -7.917 1.00 0.00 C ATOM 761 O SER A 51 22.886 21.104 -8.834 1.00 0.00 O ATOM 762 CB SER A 51 21.447 22.586 -6.667 1.00 0.00 C ATOM 763 OG SER A 51 21.684 23.358 -5.499 1.00 0.00 O ATOM 0 H SER A 51 23.697 22.602 -6.018 1.00 0.00 H new ATOM 0 HA SER A 51 21.695 20.607 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.772 23.133 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.380 22.397 -6.783 1.00 0.00 H new ATOM 0 HG SER A 51 21.200 24.208 -5.565 1.00 0.00 H new ATOM 769 N GLN A 52 21.674 19.425 -8.040 1.00 0.00 N ATOM 770 CA GLN A 52 21.773 18.651 -9.273 1.00 0.00 C ATOM 771 C GLN A 52 20.754 19.071 -10.325 1.00 0.00 C ATOM 772 O GLN A 52 20.889 18.724 -11.498 1.00 0.00 O ATOM 773 CB GLN A 52 21.669 17.156 -8.986 1.00 0.00 C ATOM 774 CG GLN A 52 22.827 16.602 -8.166 1.00 0.00 C ATOM 775 CD GLN A 52 22.616 15.161 -7.762 1.00 0.00 C ATOM 776 OE1 GLN A 52 23.196 14.770 -6.668 1.00 0.00 O flip ATOM 777 NE2 GLN A 52 21.935 14.398 -8.441 1.00 0.00 N flip ATOM 0 H GLN A 52 21.110 18.991 -7.309 1.00 0.00 H new ATOM 0 HA GLN A 52 22.757 18.863 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.736 16.962 -8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.616 16.617 -9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 52 23.748 16.682 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.958 17.211 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.492 14.734 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 21.813 13.428 -8.150 1.00 0.00 H new ATOM 786 N GLY A 53 19.751 19.826 -9.919 1.00 0.00 N ATOM 787 CA GLY A 53 18.724 20.239 -10.862 1.00 0.00 C ATOM 788 C GLY A 53 17.632 19.200 -10.964 1.00 0.00 C ATOM 789 O GLY A 53 16.854 19.172 -11.925 1.00 0.00 O ATOM 0 H GLY A 53 19.624 20.161 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.297 21.191 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.170 20.400 -11.843 1.00 0.00 H new ATOM 793 N PHE A 54 17.597 18.337 -9.977 1.00 0.00 N ATOM 794 CA PHE A 54 16.614 17.291 -9.867 1.00 0.00 C ATOM 795 C PHE A 54 16.172 17.241 -8.436 1.00 0.00 C ATOM 796 O PHE A 54 16.939 17.606 -7.539 1.00 0.00 O ATOM 797 CB PHE A 54 17.194 15.916 -10.275 1.00 0.00 C ATOM 798 CG PHE A 54 17.624 15.823 -11.713 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.722 15.449 -12.689 1.00 0.00 C ATOM 800 CD2 PHE A 54 18.925 16.116 -12.086 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.105 15.371 -14.009 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.313 16.042 -13.406 1.00 0.00 C ATOM 803 CZ PHE A 54 18.398 15.668 -14.368 1.00 0.00 C ATOM 0 H PHE A 54 18.269 18.345 -9.210 1.00 0.00 H new ATOM 0 HA PHE A 54 15.782 17.504 -10.538 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.050 15.693 -9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.445 15.148 -10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.704 15.215 -12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.644 16.406 -11.334 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.389 15.076 -14.762 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.329 16.276 -13.686 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.698 15.609 -15.404 1.00 0.00 H new ATOM 813 N ALA A 55 14.978 16.826 -8.212 1.00 0.00 N ATOM 814 CA ALA A 55 14.436 16.727 -6.897 1.00 0.00 C ATOM 815 C ALA A 55 13.450 15.604 -6.861 1.00 0.00 C ATOM 816 O ALA A 55 13.014 15.118 -7.905 1.00 0.00 O ATOM 817 CB ALA A 55 13.755 18.028 -6.504 1.00 0.00 C ATOM 0 H ALA A 55 14.334 16.539 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 55 15.242 16.534 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.347 17.935 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.481 18.840 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.948 18.242 -7.205 1.00 0.00 H new ATOM 823 N TYR A 56 13.136 15.169 -5.692 1.00 0.00 N ATOM 824 CA TYR A 56 12.146 14.164 -5.495 1.00 0.00 C ATOM 825 C TYR A 56 11.253 14.692 -4.403 1.00 0.00 C ATOM 826 O TYR A 56 11.734 15.379 -3.498 1.00 0.00 O ATOM 827 CB TYR A 56 12.779 12.823 -5.062 1.00 0.00 C ATOM 828 CG TYR A 56 13.947 12.364 -5.921 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.750 11.842 -7.195 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.250 12.471 -5.452 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.823 11.440 -7.971 1.00 0.00 C ATOM 832 CE2 TYR A 56 16.322 12.076 -6.220 1.00 0.00 C ATOM 833 CZ TYR A 56 16.107 11.561 -7.476 1.00 0.00 C ATOM 834 OH TYR A 56 17.188 11.172 -8.247 1.00 0.00 O ATOM 0 H TYR A 56 13.565 15.505 -4.830 1.00 0.00 H new ATOM 0 HA TYR A 56 11.601 13.964 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.118 12.914 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.009 12.052 -5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.747 11.749 -7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.426 12.872 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.657 11.034 -8.958 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.327 12.170 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 56 18.018 11.325 -7.748 1.00 0.00 H new ATOM 844 N LEU A 57 9.997 14.443 -4.484 1.00 0.00 N ATOM 845 CA LEU A 57 9.094 14.947 -3.483 1.00 0.00 C ATOM 846 C LEU A 57 8.034 13.910 -3.196 1.00 0.00 C ATOM 847 O LEU A 57 7.755 13.061 -4.028 1.00 0.00 O ATOM 848 CB LEU A 57 8.515 16.321 -3.954 1.00 0.00 C ATOM 849 CG LEU A 57 7.567 17.100 -3.011 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.610 18.573 -3.353 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.140 16.622 -3.168 1.00 0.00 C ATOM 0 H LEU A 57 9.560 13.896 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 57 9.613 15.131 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.359 16.972 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.981 16.150 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 57 7.897 16.931 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.942 19.121 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.627 18.945 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.292 18.716 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.492 17.184 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.816 16.776 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.083 15.561 -2.925 1.00 0.00 H new ATOM 863 N LYS A 58 7.500 13.946 -2.020 1.00 0.00 N ATOM 864 CA LYS A 58 6.458 13.051 -1.626 1.00 0.00 C ATOM 865 C LYS A 58 5.277 13.854 -1.123 1.00 0.00 C ATOM 866 O LYS A 58 5.419 14.719 -0.233 1.00 0.00 O ATOM 867 CB LYS A 58 6.952 12.129 -0.532 1.00 0.00 C ATOM 868 CG LYS A 58 5.902 11.205 0.024 1.00 0.00 C ATOM 869 CD LYS A 58 6.444 10.460 1.206 1.00 0.00 C ATOM 870 CE LYS A 58 5.354 9.729 1.930 1.00 0.00 C ATOM 871 NZ LYS A 58 5.880 9.030 3.109 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.778 14.607 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 58 6.155 12.449 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.775 11.531 -0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.354 12.733 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.022 11.777 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.583 10.501 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.204 9.752 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.932 11.157 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.580 10.433 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.884 9.011 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.105 8.532 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.601 8.342 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.307 9.720 3.760 1.00 0.00 H new ATOM 885 N TYR A 59 4.141 13.612 -1.701 1.00 0.00 N ATOM 886 CA TYR A 59 2.931 14.267 -1.299 1.00 0.00 C ATOM 887 C TYR A 59 2.226 13.551 -0.177 1.00 0.00 C ATOM 888 O TYR A 59 2.548 12.406 0.169 1.00 0.00 O ATOM 889 CB TYR A 59 1.963 14.404 -2.458 1.00 0.00 C ATOM 890 CG TYR A 59 1.980 15.731 -3.149 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.813 15.974 -4.218 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.129 16.743 -2.735 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.795 17.189 -4.861 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.108 17.957 -3.368 1.00 0.00 C ATOM 895 CZ TYR A 59 1.940 18.177 -4.429 1.00 0.00 C ATOM 896 OH TYR A 59 1.906 19.378 -5.074 1.00 0.00 O ATOM 0 H TYR A 59 4.025 12.951 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 59 3.238 15.252 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.186 13.628 -3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.954 14.216 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.488 15.201 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.470 16.571 -1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.449 17.367 -5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.439 18.735 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 59 1.726 20.092 -4.427 1.00 0.00 H new ATOM 906 N GLU A 60 1.272 14.269 0.374 1.00 0.00 N ATOM 907 CA GLU A 60 0.342 13.819 1.385 1.00 0.00 C ATOM 908 C GLU A 60 -0.297 12.466 1.025 1.00 0.00 C ATOM 909 O GLU A 60 -0.322 11.552 1.852 1.00 0.00 O ATOM 910 CB GLU A 60 -0.663 14.986 1.633 1.00 0.00 C ATOM 911 CG GLU A 60 -2.026 14.669 2.217 1.00 0.00 C ATOM 912 CD GLU A 60 -3.032 14.313 1.144 1.00 0.00 C ATOM 913 OE1 GLU A 60 -3.070 14.992 0.097 1.00 0.00 O ATOM 914 OE2 GLU A 60 -3.831 13.389 1.349 1.00 0.00 O1- ATOM 0 H GLU A 60 1.116 15.242 0.111 1.00 0.00 H new ATOM 0 HA GLU A 60 0.847 13.600 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.179 15.702 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.822 15.491 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.936 13.840 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.387 15.528 2.782 1.00 0.00 H new ATOM 921 N ASP A 61 -0.747 12.327 -0.204 1.00 0.00 N ATOM 922 CA ASP A 61 -1.310 11.071 -0.667 1.00 0.00 C ATOM 923 C ASP A 61 -0.919 10.858 -2.116 1.00 0.00 C ATOM 924 O ASP A 61 -0.507 11.819 -2.799 1.00 0.00 O ATOM 925 CB ASP A 61 -2.842 11.060 -0.525 1.00 0.00 C ATOM 926 CG ASP A 61 -3.459 9.741 -0.920 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.423 8.795 -0.116 1.00 0.00 O ATOM 928 OD2 ASP A 61 -3.964 9.620 -2.064 1.00 0.00 O1- ATOM 0 H ASP A 61 -0.735 13.069 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.915 10.262 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.108 11.285 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.265 11.853 -1.143 1.00 0.00 H new ATOM 933 N GLN A 62 -1.044 9.630 -2.595 1.00 0.00 N ATOM 934 CA GLN A 62 -0.736 9.284 -3.964 1.00 0.00 C ATOM 935 C GLN A 62 -1.634 10.061 -4.957 1.00 0.00 C ATOM 936 O GLN A 62 -1.205 10.379 -6.051 1.00 0.00 O ATOM 937 CB GLN A 62 -0.809 7.758 -4.179 1.00 0.00 C ATOM 938 CG GLN A 62 -0.627 7.304 -5.631 1.00 0.00 C ATOM 939 CD GLN A 62 0.748 7.557 -6.202 1.00 0.00 C ATOM 940 OE1 GLN A 62 1.755 7.419 -5.407 1.00 0.00 O flip ATOM 941 NE2 GLN A 62 0.899 7.811 -7.368 1.00 0.00 N flip ATOM 0 H GLN A 62 -1.366 8.841 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 62 0.291 9.587 -4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.044 7.282 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.774 7.400 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.841 6.237 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.363 7.814 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.087 7.915 -7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.839 7.922 -7.748 1.00 0.00 H new ATOM 950 N ARG A 63 -2.852 10.424 -4.556 1.00 0.00 N ATOM 951 CA ARG A 63 -3.701 11.233 -5.446 1.00 0.00 C ATOM 952 C ARG A 63 -3.110 12.612 -5.682 1.00 0.00 C ATOM 953 O ARG A 63 -3.139 13.123 -6.791 1.00 0.00 O ATOM 954 CB ARG A 63 -5.149 11.374 -4.954 1.00 0.00 C ATOM 955 CG ARG A 63 -6.033 10.158 -5.166 1.00 0.00 C ATOM 956 CD ARG A 63 -6.047 9.741 -6.632 1.00 0.00 C ATOM 957 NE ARG A 63 -7.066 8.729 -6.929 1.00 0.00 N ATOM 958 CZ ARG A 63 -6.933 7.408 -6.763 1.00 0.00 C ATOM 959 NH1 ARG A 63 -5.915 6.912 -6.070 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -7.856 6.591 -7.250 1.00 0.00 N ATOM 0 H ARG A 63 -3.267 10.184 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.729 10.683 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.131 11.607 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.605 12.225 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.674 9.332 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.048 10.381 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.223 10.620 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.066 9.351 -6.903 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.957 9.063 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.225 7.540 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.823 5.903 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.661 6.970 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.761 5.583 -7.127 1.00 0.00 H new ATOM 974 N SER A 64 -2.494 13.154 -4.666 1.00 0.00 N ATOM 975 CA SER A 64 -1.968 14.504 -4.719 1.00 0.00 C ATOM 976 C SER A 64 -0.614 14.452 -5.439 1.00 0.00 C ATOM 977 O SER A 64 -0.149 15.411 -6.053 1.00 0.00 O ATOM 978 CB SER A 64 -1.846 15.006 -3.281 1.00 0.00 C ATOM 979 OG SER A 64 -3.039 14.688 -2.563 1.00 0.00 O ATOM 0 H SER A 64 -2.340 12.679 -3.777 1.00 0.00 H new ATOM 0 HA SER A 64 -2.614 15.190 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.984 14.548 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.680 16.083 -3.273 1.00 0.00 H new ATOM 0 HG SER A 64 -2.857 14.708 -1.600 1.00 0.00 H new ATOM 985 N THR A 65 -0.045 13.285 -5.371 1.00 0.00 N ATOM 986 CA THR A 65 1.161 12.900 -6.032 1.00 0.00 C ATOM 987 C THR A 65 0.933 12.911 -7.577 1.00 0.00 C ATOM 988 O THR A 65 1.611 13.645 -8.317 1.00 0.00 O ATOM 989 CB THR A 65 1.476 11.491 -5.495 1.00 0.00 C ATOM 990 OG1 THR A 65 1.897 11.551 -4.123 1.00 0.00 O ATOM 991 CG2 THR A 65 2.427 10.698 -6.318 1.00 0.00 C ATOM 0 H THR A 65 -0.440 12.528 -4.814 1.00 0.00 H new ATOM 0 HA THR A 65 1.994 13.577 -5.843 1.00 0.00 H new ATOM 0 HB THR A 65 0.535 10.945 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.112 11.650 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.583 9.723 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.017 10.564 -7.319 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.379 11.225 -6.383 1.00 0.00 H new ATOM 999 N ILE A 66 -0.079 12.154 -8.025 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.467 12.087 -9.446 1.00 0.00 C ATOM 1001 C ILE A 66 -0.871 13.483 -9.938 1.00 0.00 C ATOM 1002 O ILE A 66 -0.579 13.873 -11.070 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.671 11.108 -9.641 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.305 9.701 -9.147 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.106 11.060 -11.110 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.453 8.718 -9.147 1.00 0.00 C ATOM 0 H ILE A 66 -0.652 11.571 -7.415 1.00 0.00 H new ATOM 0 HA ILE A 66 0.385 11.723 -10.020 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.508 11.480 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.505 9.306 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.908 9.777 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.945 10.372 -11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.409 12.056 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.274 10.718 -11.725 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.104 7.751 -8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.247 9.085 -8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.837 8.607 -10.161 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.513 14.225 -9.049 1.00 0.00 N ATOM 1019 CA LEU A 67 -1.983 15.574 -9.312 1.00 0.00 C ATOM 1020 C LEU A 67 -0.804 16.451 -9.753 1.00 0.00 C ATOM 1021 O LEU A 67 -0.876 17.139 -10.761 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.581 16.133 -8.025 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.802 17.037 -8.133 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.194 17.544 -6.784 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -3.622 18.169 -9.105 1.00 0.00 C ATOM 0 H LEU A 67 -1.725 13.899 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.733 15.564 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.846 15.290 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.799 16.690 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.610 16.425 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.068 18.189 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.432 16.702 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.369 18.112 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.529 18.773 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.783 18.789 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.423 17.767 -10.099 1.00 0.00 H new ATOM 1037 N ALA A 68 0.286 16.391 -8.997 1.00 0.00 N ATOM 1038 CA ALA A 68 1.486 17.159 -9.304 1.00 0.00 C ATOM 1039 C ALA A 68 2.033 16.796 -10.668 1.00 0.00 C ATOM 1040 O ALA A 68 2.318 17.683 -11.505 1.00 0.00 O ATOM 1041 CB ALA A 68 2.545 16.924 -8.248 1.00 0.00 C ATOM 0 H ALA A 68 0.363 15.813 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 68 1.214 18.215 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.436 17.504 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.164 17.234 -7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.799 15.865 -8.217 1.00 0.00 H new ATOM 1047 N VAL A 69 2.119 15.496 -10.907 1.00 0.00 N ATOM 1048 CA VAL A 69 2.650 14.944 -12.148 1.00 0.00 C ATOM 1049 C VAL A 69 1.860 15.435 -13.363 1.00 0.00 C ATOM 1050 O VAL A 69 2.417 15.723 -14.415 1.00 0.00 O ATOM 1051 CB VAL A 69 2.628 13.390 -12.119 1.00 0.00 C ATOM 1052 CG1 VAL A 69 3.238 12.812 -13.380 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.357 12.867 -10.902 1.00 0.00 C ATOM 0 H VAL A 69 1.819 14.786 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 69 3.680 15.290 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 69 1.586 13.074 -12.066 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.209 11.723 -13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.672 13.152 -14.247 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.272 13.144 -13.469 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.329 11.777 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.393 13.204 -10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.874 13.242 -10.000 1.00 0.00 H new ATOM 1063 N ASP A 70 0.585 15.573 -13.196 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.282 15.909 -14.297 1.00 0.00 C ATOM 1065 C ASP A 70 -0.576 17.433 -14.401 1.00 0.00 C ATOM 1066 O ASP A 70 -0.804 17.959 -15.497 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.559 15.064 -14.173 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.502 15.170 -15.338 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.073 14.950 -16.495 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -3.678 15.435 -15.114 1.00 0.00 O ATOM 0 H ASP A 70 0.109 15.458 -12.301 1.00 0.00 H new ATOM 0 HA ASP A 70 0.222 15.672 -15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.275 14.019 -14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.088 15.362 -13.268 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.485 18.161 -13.301 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.855 19.592 -13.329 1.00 0.00 C ATOM 1077 C ASN A 71 0.332 20.552 -13.435 1.00 0.00 C ATOM 1078 O ASN A 71 0.200 21.638 -13.992 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.801 19.975 -12.160 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.178 21.468 -12.136 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.086 21.905 -12.850 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -1.531 22.241 -11.279 1.00 0.00 N ATOM 0 H ASN A 71 -0.170 17.812 -12.396 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.407 19.716 -14.261 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.712 19.380 -12.231 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.322 19.714 -11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.778 23.227 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.785 21.851 -10.703 1.00 0.00 H new ATOM 1089 N LEU A 72 1.498 20.176 -12.940 1.00 0.00 N ATOM 1090 CA LEU A 72 2.621 21.105 -13.023 1.00 0.00 C ATOM 1091 C LEU A 72 3.670 20.676 -13.996 1.00 0.00 C ATOM 1092 O LEU A 72 4.657 21.368 -14.178 1.00 0.00 O ATOM 1093 CB LEU A 72 3.258 21.455 -11.668 1.00 0.00 C ATOM 1094 CG LEU A 72 2.530 22.468 -10.786 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.411 22.849 -9.604 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.148 23.712 -11.569 1.00 0.00 C ATOM 0 H LEU A 72 1.693 19.279 -12.496 1.00 0.00 H new ATOM 0 HA LEU A 72 2.164 22.020 -13.400 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.367 20.532 -11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.262 21.834 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 72 1.612 22.004 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.887 23.572 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.638 21.959 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.339 23.290 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.632 24.412 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.048 24.183 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.490 23.436 -12.393 1.00 0.00 H new ATOM 1108 N ASN A 73 3.490 19.535 -14.613 1.00 0.00 N ATOM 1109 CA ASN A 73 4.472 19.102 -15.594 1.00 0.00 C ATOM 1110 C ASN A 73 4.509 20.082 -16.771 1.00 0.00 C ATOM 1111 O ASN A 73 3.475 20.375 -17.386 1.00 0.00 O ATOM 1112 CB ASN A 73 4.272 17.636 -16.061 1.00 0.00 C ATOM 1113 CG ASN A 73 3.074 17.352 -16.990 1.00 0.00 C ATOM 1114 OD1 ASN A 73 1.962 18.016 -16.805 1.00 0.00 O flip ATOM 1115 ND2 ASN A 73 3.160 16.489 -17.858 1.00 0.00 N flip ATOM 0 H ASN A 73 2.703 18.903 -14.466 1.00 0.00 H new ATOM 0 HA ASN A 73 5.445 19.111 -15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.180 17.317 -16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.169 17.010 -15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.035 15.982 -17.988 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.356 16.279 -18.450 1.00 0.00 H new ATOM 1122 N GLY A 74 5.667 20.654 -17.013 1.00 0.00 N ATOM 1123 CA GLY A 74 5.801 21.617 -18.077 1.00 0.00 C ATOM 1124 C GLY A 74 5.703 23.047 -17.566 1.00 0.00 C ATOM 1125 O GLY A 74 5.675 23.996 -18.354 1.00 0.00 O ATOM 0 H GLY A 74 6.523 20.469 -16.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.760 21.475 -18.576 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.025 21.444 -18.823 1.00 0.00 H new ATOM 1129 N PHE A 75 5.627 23.198 -16.246 1.00 0.00 N ATOM 1130 CA PHE A 75 5.561 24.512 -15.614 1.00 0.00 C ATOM 1131 C PHE A 75 6.904 25.217 -15.788 1.00 0.00 C ATOM 1132 O PHE A 75 7.964 24.641 -15.504 1.00 0.00 O ATOM 1133 CB PHE A 75 5.199 24.360 -14.129 1.00 0.00 C ATOM 1134 CG PHE A 75 4.952 25.639 -13.386 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.741 26.301 -13.504 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.915 26.165 -12.552 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.504 27.464 -12.804 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.683 27.330 -11.854 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.481 27.977 -11.979 1.00 0.00 C ATOM 0 H PHE A 75 5.610 22.418 -15.589 1.00 0.00 H new ATOM 0 HA PHE A 75 4.786 25.116 -16.086 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.306 23.739 -14.053 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.005 23.822 -13.631 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.974 25.901 -14.151 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.863 25.658 -12.444 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.556 27.972 -12.902 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.449 27.734 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.300 28.889 -11.430 1.00 0.00 H new ATOM 1149 N LYS A 76 6.845 26.435 -16.259 1.00 0.00 N ATOM 1150 CA LYS A 76 8.015 27.210 -16.606 1.00 0.00 C ATOM 1151 C LYS A 76 8.555 27.992 -15.420 1.00 0.00 C ATOM 1152 O LYS A 76 7.833 28.781 -14.804 1.00 0.00 O ATOM 1153 CB LYS A 76 7.663 28.184 -17.742 1.00 0.00 C ATOM 1154 CG LYS A 76 8.806 29.106 -18.190 1.00 0.00 C ATOM 1155 CD LYS A 76 9.962 28.346 -18.832 1.00 0.00 C ATOM 1156 CE LYS A 76 9.558 27.666 -20.136 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.118 28.638 -21.161 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.967 26.929 -16.417 1.00 0.00 H new ATOM 0 HA LYS A 76 8.791 26.515 -16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.325 27.607 -18.602 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.823 28.801 -17.423 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.420 29.837 -18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.177 29.662 -17.329 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.784 29.035 -19.024 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.332 27.596 -18.134 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.401 27.092 -20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.753 26.958 -19.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.032 28.159 -22.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.196 29.035 -20.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.816 29.405 -21.235 1.00 0.00 H new ATOM 1171 N ILE A 77 9.813 27.763 -15.110 1.00 0.00 N ATOM 1172 CA ILE A 77 10.517 28.515 -14.103 1.00 0.00 C ATOM 1173 C ILE A 77 11.937 28.753 -14.610 1.00 0.00 C ATOM 1174 O ILE A 77 12.646 27.805 -14.883 1.00 0.00 O ATOM 1175 CB ILE A 77 10.619 27.772 -12.722 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.248 27.310 -12.227 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.259 28.694 -11.671 1.00 0.00 C ATOM 1178 CD1 ILE A 77 9.292 26.528 -10.929 1.00 0.00 C ATOM 0 H ILE A 77 10.378 27.041 -15.557 1.00 0.00 H new ATOM 0 HA ILE A 77 9.960 29.437 -13.935 1.00 0.00 H new ATOM 0 HB ILE A 77 11.243 26.890 -12.869 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.609 28.183 -12.092 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.785 26.692 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.325 28.169 -10.718 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.259 28.979 -11.998 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.648 29.588 -11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.281 26.237 -10.645 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.903 25.635 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.724 27.149 -10.144 1.00 0.00 H new ATOM 1190 N GLY A 78 12.289 29.997 -14.856 1.00 0.00 N ATOM 1191 CA GLY A 78 13.678 30.336 -15.153 1.00 0.00 C ATOM 1192 C GLY A 78 14.171 29.815 -16.487 1.00 0.00 C ATOM 1193 O GLY A 78 15.274 29.270 -16.576 1.00 0.00 O ATOM 0 H GLY A 78 11.645 30.788 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.788 31.420 -15.136 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.315 29.939 -14.362 1.00 0.00 H new ATOM 1197 N GLY A 79 13.348 29.940 -17.509 1.00 0.00 N ATOM 1198 CA GLY A 79 13.748 29.552 -18.848 1.00 0.00 C ATOM 1199 C GLY A 79 13.664 28.056 -19.110 1.00 0.00 C ATOM 1200 O GLY A 79 14.027 27.588 -20.193 1.00 0.00 O ATOM 0 H GLY A 79 12.399 30.307 -17.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.118 30.073 -19.569 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.772 29.884 -19.021 1.00 0.00 H new ATOM 1204 N ARG A 80 13.221 27.304 -18.140 1.00 0.00 N ATOM 1205 CA ARG A 80 13.064 25.872 -18.287 1.00 0.00 C ATOM 1206 C ARG A 80 11.800 25.405 -17.615 1.00 0.00 C ATOM 1207 O ARG A 80 11.270 26.082 -16.745 1.00 0.00 O ATOM 1208 CB ARG A 80 14.300 25.099 -17.789 1.00 0.00 C ATOM 1209 CG ARG A 80 14.912 25.661 -16.522 1.00 0.00 C ATOM 1210 CD ARG A 80 16.053 24.805 -15.984 1.00 0.00 C ATOM 1211 NE ARG A 80 17.023 24.377 -17.014 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.354 24.558 -16.952 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.894 25.338 -16.009 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.137 23.985 -17.867 1.00 0.00 N ATOM 0 H ARG A 80 12.957 27.661 -17.222 1.00 0.00 H new ATOM 0 HA ARG A 80 12.977 25.656 -19.352 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.020 24.060 -17.614 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.055 25.098 -18.575 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.281 26.668 -16.718 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.139 25.748 -15.759 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.581 25.366 -15.213 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.634 23.920 -15.504 1.00 0.00 H new ATOM 0 HE ARG A 80 16.652 23.906 -17.839 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.295 25.803 -15.327 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.905 25.468 -15.972 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.725 23.415 -18.606 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.148 24.117 -17.828 1.00 0.00 H new ATOM 1228 N ALA A 81 11.293 24.304 -18.060 1.00 0.00 N ATOM 1229 CA ALA A 81 10.091 23.751 -17.519 1.00 0.00 C ATOM 1230 C ALA A 81 10.426 22.541 -16.696 1.00 0.00 C ATOM 1231 O ALA A 81 11.257 21.738 -17.090 1.00 0.00 O ATOM 1232 CB ALA A 81 9.136 23.386 -18.636 1.00 0.00 C ATOM 0 H ALA A 81 11.703 23.756 -18.816 1.00 0.00 H new ATOM 0 HA ALA A 81 9.605 24.491 -16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.224 22.966 -18.212 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.891 24.279 -19.211 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.605 22.650 -19.290 1.00 0.00 H new ATOM 1238 N LEU A 82 9.827 22.423 -15.558 1.00 0.00 N ATOM 1239 CA LEU A 82 10.086 21.292 -14.718 1.00 0.00 C ATOM 1240 C LEU A 82 9.215 20.083 -15.076 1.00 0.00 C ATOM 1241 O LEU A 82 8.045 20.216 -15.498 1.00 0.00 O ATOM 1242 CB LEU A 82 10.077 21.661 -13.209 1.00 0.00 C ATOM 1243 CG LEU A 82 8.909 22.518 -12.667 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.594 21.792 -12.750 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.179 22.933 -11.237 1.00 0.00 C ATOM 0 H LEU A 82 9.155 23.093 -15.185 1.00 0.00 H new ATOM 0 HA LEU A 82 11.107 20.970 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.098 20.731 -12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.005 22.189 -12.991 1.00 0.00 H new ATOM 0 HG LEU A 82 8.840 23.406 -13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.801 22.430 -12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.381 21.544 -13.790 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.646 20.876 -12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.348 23.535 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.286 22.045 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.098 23.518 -11.195 1.00 0.00 H new ATOM 1257 N LYS A 83 9.798 18.932 -14.948 1.00 0.00 N ATOM 1258 CA LYS A 83 9.151 17.682 -15.242 1.00 0.00 C ATOM 1259 C LYS A 83 8.857 16.954 -13.960 1.00 0.00 C ATOM 1260 O LYS A 83 9.757 16.736 -13.173 1.00 0.00 O ATOM 1261 CB LYS A 83 10.074 16.799 -16.119 1.00 0.00 C ATOM 1262 CG LYS A 83 9.583 15.354 -16.310 1.00 0.00 C ATOM 1263 CD LYS A 83 8.277 15.290 -17.084 1.00 0.00 C ATOM 1264 CE LYS A 83 7.624 13.911 -16.998 1.00 0.00 C ATOM 1265 NZ LYS A 83 8.457 12.830 -17.562 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.761 18.828 -14.628 1.00 0.00 H new ATOM 0 HA LYS A 83 8.224 17.884 -15.778 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.179 17.266 -17.098 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.067 16.775 -15.670 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.345 14.780 -16.838 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.449 14.886 -15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.589 16.041 -16.696 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.463 15.538 -18.129 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.407 13.685 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.670 13.936 -17.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.012 11.911 -17.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.546 12.960 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.401 12.857 -17.127 1.00 0.00 H new ATOM 1279 N ILE A 84 7.620 16.605 -13.744 1.00 0.00 N ATOM 1280 CA ILE A 84 7.277 15.780 -12.617 1.00 0.00 C ATOM 1281 C ILE A 84 6.844 14.444 -13.179 1.00 0.00 C ATOM 1282 O ILE A 84 6.136 14.407 -14.185 1.00 0.00 O ATOM 1283 CB ILE A 84 6.122 16.327 -11.716 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.332 17.762 -11.271 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.956 15.466 -10.486 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.896 18.775 -12.272 1.00 0.00 C ATOM 0 H ILE A 84 6.832 16.878 -14.332 1.00 0.00 H new ATOM 0 HA ILE A 84 8.154 15.735 -11.971 1.00 0.00 H new ATOM 0 HB ILE A 84 5.226 16.296 -12.336 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.788 17.927 -10.341 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.389 17.913 -11.053 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.148 15.862 -9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.717 14.446 -10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.883 15.468 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.079 19.776 -11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.458 18.639 -13.196 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.832 18.653 -12.473 1.00 0.00 H new ATOM 1298 N ASP A 85 7.304 13.383 -12.591 1.00 0.00 N ATOM 1299 CA ASP A 85 6.946 12.048 -13.017 1.00 0.00 C ATOM 1300 C ASP A 85 6.897 11.187 -11.763 1.00 0.00 C ATOM 1301 O ASP A 85 7.120 11.698 -10.667 1.00 0.00 O ATOM 1302 CB ASP A 85 8.006 11.508 -13.983 1.00 0.00 C ATOM 1303 CG ASP A 85 7.471 10.452 -14.935 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.120 9.355 -14.481 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.415 10.720 -16.177 1.00 0.00 O ATOM 0 H ASP A 85 7.943 13.410 -11.796 1.00 0.00 H new ATOM 0 HA ASP A 85 5.986 12.043 -13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.414 12.336 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.829 11.085 -13.408 1.00 0.00 H new ATOM 1310 N HIS A 86 6.660 9.921 -11.897 1.00 0.00 N ATOM 1311 CA HIS A 86 6.587 9.042 -10.746 1.00 0.00 C ATOM 1312 C HIS A 86 7.863 8.250 -10.621 1.00 0.00 C ATOM 1313 O HIS A 86 8.415 7.765 -11.620 1.00 0.00 O ATOM 1314 CB HIS A 86 5.393 8.085 -10.822 1.00 0.00 C ATOM 1315 CG HIS A 86 4.047 8.738 -10.712 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.307 8.788 -9.548 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.285 9.333 -11.661 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.153 9.393 -9.823 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.087 9.744 -11.090 1.00 0.00 N ATOM 0 H HIS A 86 6.511 9.459 -12.794 1.00 0.00 H new ATOM 0 HA HIS A 86 6.451 9.671 -9.866 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.441 7.543 -11.767 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.488 7.347 -10.026 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.593 8.426 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.564 9.466 -12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.372 9.573 -9.099 1.00 0.00 H new ATOM 1327 N THR A 87 8.342 8.102 -9.423 1.00 0.00 N ATOM 1328 CA THR A 87 9.545 7.378 -9.206 1.00 0.00 C ATOM 1329 C THR A 87 9.470 6.686 -7.850 1.00 0.00 C ATOM 1330 O THR A 87 8.614 7.002 -7.025 1.00 0.00 O ATOM 1331 CB THR A 87 10.794 8.320 -9.305 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.004 7.551 -9.383 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.878 9.277 -8.120 1.00 0.00 C ATOM 0 H THR A 87 7.910 8.478 -8.579 1.00 0.00 H new ATOM 0 HA THR A 87 9.659 6.621 -9.982 1.00 0.00 H new ATOM 0 HB THR A 87 10.677 8.909 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.773 8.156 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.757 9.912 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.983 9.898 -8.090 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.954 8.705 -7.195 1.00 0.00 H new ATOM 1341 N PHE A 88 10.270 5.708 -7.648 1.00 0.00 N ATOM 1342 CA PHE A 88 10.343 5.098 -6.382 1.00 0.00 C ATOM 1343 C PHE A 88 11.760 5.192 -5.990 1.00 0.00 C ATOM 1344 O PHE A 88 12.608 4.441 -6.463 1.00 0.00 O ATOM 1345 CB PHE A 88 9.864 3.650 -6.394 1.00 0.00 C ATOM 1346 CG PHE A 88 9.675 3.081 -5.009 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.488 3.294 -4.326 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.670 2.337 -4.393 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.297 2.781 -3.063 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.481 1.821 -3.126 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.292 2.043 -2.462 1.00 0.00 C ATOM 0 H PHE A 88 10.889 5.311 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 88 9.684 5.598 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.921 3.589 -6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.585 3.039 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.702 3.870 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.602 2.159 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.367 2.957 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.263 1.244 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.142 1.638 -1.472 1.00 0.00 H new ATOM 1361 N TYR A 89 12.020 6.148 -5.203 1.00 0.00 N ATOM 1362 CA TYR A 89 13.328 6.445 -4.796 1.00 0.00 C ATOM 1363 C TYR A 89 13.533 5.979 -3.389 1.00 0.00 C ATOM 1364 O TYR A 89 12.758 6.316 -2.489 1.00 0.00 O ATOM 1365 CB TYR A 89 13.581 7.951 -4.965 1.00 0.00 C ATOM 1366 CG TYR A 89 14.817 8.485 -4.262 1.00 0.00 C ATOM 1367 CD1 TYR A 89 16.090 8.285 -4.790 1.00 0.00 C ATOM 1368 CD2 TYR A 89 14.708 9.185 -3.064 1.00 0.00 C ATOM 1369 CE1 TYR A 89 17.214 8.767 -4.139 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.823 9.669 -2.413 1.00 0.00 C ATOM 1371 CZ TYR A 89 17.072 9.456 -2.952 1.00 0.00 C ATOM 1372 OH TYR A 89 18.185 9.934 -2.295 1.00 0.00 O ATOM 0 H TYR A 89 11.310 6.766 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 89 14.054 5.920 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.665 8.171 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.710 8.493 -4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.203 7.747 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.731 9.352 -2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 89 18.196 8.604 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 89 15.717 10.212 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 89 18.020 9.933 -1.329 1.00 0.00 H new ATOM 1382 N ARG A 90 14.526 5.168 -3.223 1.00 0.00 N ATOM 1383 CA ARG A 90 14.900 4.662 -1.948 1.00 0.00 C ATOM 1384 C ARG A 90 15.747 5.693 -1.249 1.00 0.00 C ATOM 1385 O ARG A 90 16.777 6.118 -1.786 1.00 0.00 O ATOM 1386 CB ARG A 90 15.682 3.356 -2.105 1.00 0.00 C ATOM 1387 CG ARG A 90 14.850 2.184 -2.600 1.00 0.00 C ATOM 1388 CD ARG A 90 13.848 1.742 -1.545 1.00 0.00 C ATOM 1389 NE ARG A 90 14.522 1.304 -0.315 1.00 0.00 N ATOM 1390 CZ ARG A 90 13.925 1.080 0.865 1.00 0.00 C ATOM 1391 NH1 ARG A 90 12.629 1.337 1.032 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 14.641 0.630 1.887 1.00 0.00 N ATOM 0 H ARG A 90 15.111 4.833 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 90 14.007 4.456 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.506 3.521 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.123 3.093 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.323 2.467 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.505 1.351 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.171 2.565 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.239 0.928 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 90 15.530 1.158 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.079 1.708 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.187 1.162 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.640 0.456 1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.193 0.458 2.787 1.00 0.00 H new ATOM 1406 N PRO A 91 15.321 6.152 -0.076 1.00 0.00 N ATOM 1407 CA PRO A 91 16.087 7.111 0.694 1.00 0.00 C ATOM 1408 C PRO A 91 17.415 6.491 1.122 1.00 0.00 C ATOM 1409 O PRO A 91 17.462 5.309 1.499 1.00 0.00 O ATOM 1410 CB PRO A 91 15.195 7.398 1.917 1.00 0.00 C ATOM 1411 CG PRO A 91 14.245 6.257 1.995 1.00 0.00 C ATOM 1412 CD PRO A 91 14.057 5.770 0.595 1.00 0.00 C ATOM 0 HA PRO A 91 16.331 8.016 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.790 7.475 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.664 8.343 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.640 5.466 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.295 6.571 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.895 4.693 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.194 6.236 0.120 1.00 0.00 H new ATOM 1420 N LYS A 92 18.491 7.240 1.015 1.00 0.00 N ATOM 1421 CA LYS A 92 19.784 6.721 1.400 1.00 0.00 C ATOM 1422 C LYS A 92 19.871 6.782 2.906 1.00 0.00 C ATOM 1423 O LYS A 92 19.531 7.803 3.494 1.00 0.00 O ATOM 1424 CB LYS A 92 20.908 7.593 0.813 1.00 0.00 C ATOM 1425 CG LYS A 92 20.842 7.808 -0.696 1.00 0.00 C ATOM 1426 CD LYS A 92 22.004 8.670 -1.201 1.00 0.00 C ATOM 1427 CE LYS A 92 23.345 7.970 -1.023 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.488 8.798 -1.466 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.497 8.199 0.669 1.00 0.00 H new ATOM 0 HA LYS A 92 19.896 5.702 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.885 8.566 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.867 7.135 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.860 6.842 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.897 8.286 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.853 8.903 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.014 9.618 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.477 7.709 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.339 7.036 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.354 8.222 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.308 9.153 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.607 9.602 -0.817 1.00 0.00 H new ATOM 1442 N ARG A 93 20.395 5.760 3.532 1.00 0.00 N ATOM 1443 CA ARG A 93 20.484 5.775 4.982 1.00 0.00 C ATOM 1444 C ARG A 93 21.604 6.698 5.422 1.00 0.00 C ATOM 1445 O ARG A 93 21.627 7.184 6.538 1.00 0.00 O ATOM 1446 CB ARG A 93 20.583 4.345 5.590 1.00 0.00 C ATOM 1447 CG ARG A 93 21.827 3.509 5.237 1.00 0.00 C ATOM 1448 CD ARG A 93 23.073 3.967 5.994 1.00 0.00 C ATOM 1449 NE ARG A 93 22.874 3.909 7.450 1.00 0.00 N ATOM 1450 CZ ARG A 93 23.846 3.943 8.371 1.00 0.00 C ATOM 1451 NH1 ARG A 93 25.130 4.031 8.006 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 23.527 3.883 9.657 1.00 0.00 N ATOM 0 H ARG A 93 20.761 4.922 3.080 1.00 0.00 H new ATOM 0 HA ARG A 93 19.553 6.177 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.536 4.436 6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 93 19.701 3.785 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.633 2.461 5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.013 3.574 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.919 3.339 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.323 4.987 5.701 1.00 0.00 H new ATOM 0 HE ARG A 93 21.914 3.837 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.377 4.073 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 93 25.862 4.056 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.549 3.812 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.260 3.908 10.366 1.00 0.00 H new ATOM 1466 N SER A 94 22.518 6.949 4.505 1.00 0.00 N ATOM 1467 CA SER A 94 23.615 7.855 4.733 1.00 0.00 C ATOM 1468 C SER A 94 23.102 9.301 4.758 1.00 0.00 C ATOM 1469 O SER A 94 23.767 10.196 5.255 1.00 0.00 O ATOM 1470 CB SER A 94 24.646 7.682 3.621 1.00 0.00 C ATOM 1471 OG SER A 94 25.040 6.316 3.513 1.00 0.00 O ATOM 0 H SER A 94 22.516 6.525 3.577 1.00 0.00 H new ATOM 0 HA SER A 94 24.079 7.634 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.228 8.022 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.518 8.303 3.826 1.00 0.00 H new ATOM 0 HG SER A 94 25.700 6.222 2.795 1.00 0.00 H new ATOM 1477 N LEU A 95 21.914 9.515 4.216 1.00 0.00 N ATOM 1478 CA LEU A 95 21.331 10.835 4.181 1.00 0.00 C ATOM 1479 C LEU A 95 20.122 10.937 5.091 1.00 0.00 C ATOM 1480 O LEU A 95 19.320 11.865 4.937 1.00 0.00 O ATOM 1481 CB LEU A 95 20.945 11.243 2.756 1.00 0.00 C ATOM 1482 CG LEU A 95 22.079 11.365 1.741 1.00 0.00 C ATOM 1483 CD1 LEU A 95 21.547 11.892 0.420 1.00 0.00 C ATOM 1484 CD2 LEU A 95 23.180 12.266 2.268 1.00 0.00 C ATOM 0 H LEU A 95 21.338 8.786 3.795 1.00 0.00 H new ATOM 0 HA LEU A 95 22.095 11.523 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.228 10.515 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.430 12.202 2.806 1.00 0.00 H new ATOM 0 HG LEU A 95 22.502 10.374 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.366 11.974 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.794 11.207 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.099 12.874 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 95 23.977 12.338 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 22.775 13.259 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 95 23.580 11.849 3.192 1.00 0.00 H new ATOM 1496 N GLN A 96 20.002 10.034 6.067 1.00 0.00 N ATOM 1497 CA GLN A 96 18.830 10.027 6.946 1.00 0.00 C ATOM 1498 C GLN A 96 18.678 11.356 7.687 1.00 0.00 C ATOM 1499 O GLN A 96 17.570 11.870 7.810 1.00 0.00 O ATOM 1500 CB GLN A 96 18.813 8.838 7.930 1.00 0.00 C ATOM 1501 CG GLN A 96 19.970 8.796 8.916 1.00 0.00 C ATOM 1502 CD GLN A 96 19.787 7.739 9.975 1.00 0.00 C ATOM 1503 OE1 GLN A 96 20.214 6.601 9.815 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.138 8.098 11.056 1.00 0.00 N ATOM 0 H GLN A 96 20.690 9.308 6.267 1.00 0.00 H new ATOM 0 HA GLN A 96 17.967 9.897 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.879 8.865 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.813 7.912 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.897 8.607 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.072 9.771 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.798 9.055 11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.973 7.421 11.800 1.00 0.00 H new ATOM 1513 N LYS A 97 19.813 11.950 8.102 1.00 0.00 N ATOM 1514 CA LYS A 97 19.798 13.238 8.807 1.00 0.00 C ATOM 1515 C LYS A 97 19.259 14.346 7.913 1.00 0.00 C ATOM 1516 O LYS A 97 18.631 15.276 8.379 1.00 0.00 O ATOM 1517 CB LYS A 97 21.192 13.624 9.346 1.00 0.00 C ATOM 1518 CG LYS A 97 21.786 12.640 10.355 1.00 0.00 C ATOM 1519 CD LYS A 97 20.868 12.410 11.556 1.00 0.00 C ATOM 1520 CE LYS A 97 20.550 13.703 12.309 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.665 13.464 13.477 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.744 11.559 7.961 1.00 0.00 H new ATOM 0 HA LYS A 97 19.132 13.118 9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.878 13.718 8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.126 14.606 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.977 11.688 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.748 13.017 10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.938 11.954 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.339 11.703 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.479 14.164 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.072 14.409 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.987 14.041 14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.689 13.726 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.699 12.458 13.738 1.00 0.00 H new ATOM 1535 N TYR A 98 19.490 14.218 6.623 1.00 0.00 N ATOM 1536 CA TYR A 98 19.006 15.185 5.658 1.00 0.00 C ATOM 1537 C TYR A 98 17.488 15.038 5.535 1.00 0.00 C ATOM 1538 O TYR A 98 16.756 16.017 5.598 1.00 0.00 O ATOM 1539 CB TYR A 98 19.734 14.984 4.283 1.00 0.00 C ATOM 1540 CG TYR A 98 19.217 15.818 3.100 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.095 15.415 2.385 1.00 0.00 C ATOM 1542 CD2 TYR A 98 19.853 16.992 2.693 1.00 0.00 C ATOM 1543 CE1 TYR A 98 17.621 16.143 1.315 1.00 0.00 C ATOM 1544 CE2 TYR A 98 19.374 17.724 1.615 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.257 17.288 0.929 1.00 0.00 C ATOM 1546 OH TYR A 98 17.768 18.007 -0.145 1.00 0.00 O ATOM 0 H TYR A 98 20.016 13.445 6.215 1.00 0.00 H new ATOM 0 HA TYR A 98 19.227 16.200 5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.791 15.209 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.665 13.930 4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.582 14.510 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 98 20.729 17.335 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.745 15.807 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 98 19.874 18.633 1.313 1.00 0.00 H new ATOM 0 HH TYR A 98 18.157 17.661 -0.975 1.00 0.00 H new ATOM 1556 N TYR A 99 17.037 13.798 5.442 1.00 0.00 N ATOM 1557 CA TYR A 99 15.620 13.482 5.244 1.00 0.00 C ATOM 1558 C TYR A 99 14.780 13.864 6.445 1.00 0.00 C ATOM 1559 O TYR A 99 13.661 14.411 6.295 1.00 0.00 O ATOM 1560 CB TYR A 99 15.431 12.001 4.956 1.00 0.00 C ATOM 1561 CG TYR A 99 16.193 11.499 3.752 1.00 0.00 C ATOM 1562 CD1 TYR A 99 16.274 12.247 2.594 1.00 0.00 C ATOM 1563 CD2 TYR A 99 16.816 10.276 3.771 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.960 11.792 1.489 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.502 9.817 2.676 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.573 10.574 1.539 1.00 0.00 C ATOM 1567 OH TYR A 99 18.272 10.102 0.437 1.00 0.00 O ATOM 0 H TYR A 99 17.639 12.976 5.501 1.00 0.00 H new ATOM 0 HA TYR A 99 15.286 14.068 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.741 11.430 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.369 11.804 4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.788 13.211 2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.765 9.667 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.012 12.393 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 99 17.988 8.853 2.711 1.00 0.00 H new ATOM 0 HH TYR A 99 19.201 9.923 0.691 1.00 0.00 H new ATOM 1577 N GLU A 100 15.283 13.557 7.632 1.00 0.00 N ATOM 1578 CA GLU A 100 14.579 13.909 8.836 1.00 0.00 C ATOM 1579 C GLU A 100 14.514 15.414 8.991 1.00 0.00 C ATOM 1580 O GLU A 100 13.448 15.944 9.224 1.00 0.00 O ATOM 1581 CB GLU A 100 15.131 13.204 10.097 1.00 0.00 C ATOM 1582 CG GLU A 100 16.615 13.372 10.328 1.00 0.00 C ATOM 1583 CD GLU A 100 17.101 12.755 11.620 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.116 13.436 12.658 1.00 0.00 O ATOM 1585 OE2 GLU A 100 17.517 11.582 11.612 1.00 0.00 O1- ATOM 0 H GLU A 100 16.167 13.070 7.777 1.00 0.00 H new ATOM 0 HA GLU A 100 13.560 13.537 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.598 13.583 10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.908 12.139 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.157 12.924 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.856 14.435 10.330 1.00 0.00 H new ATOM 1592 N ALA A 101 15.640 16.099 8.746 1.00 0.00 N ATOM 1593 CA ALA A 101 15.712 17.562 8.861 1.00 0.00 C ATOM 1594 C ALA A 101 14.698 18.253 7.945 1.00 0.00 C ATOM 1595 O ALA A 101 14.188 19.334 8.268 1.00 0.00 O ATOM 1596 CB ALA A 101 17.121 18.059 8.566 1.00 0.00 C ATOM 0 H ALA A 101 16.517 15.660 8.466 1.00 0.00 H new ATOM 0 HA ALA A 101 15.459 17.820 9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.150 19.145 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.819 17.616 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.403 17.772 7.553 1.00 0.00 H new ATOM 1602 N VAL A 102 14.429 17.630 6.801 1.00 0.00 N ATOM 1603 CA VAL A 102 13.434 18.124 5.861 1.00 0.00 C ATOM 1604 C VAL A 102 12.027 18.038 6.453 1.00 0.00 C ATOM 1605 O VAL A 102 11.350 19.060 6.656 1.00 0.00 O ATOM 1606 CB VAL A 102 13.461 17.340 4.517 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.276 17.718 3.640 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.756 17.597 3.769 1.00 0.00 C ATOM 0 H VAL A 102 14.894 16.772 6.503 1.00 0.00 H new ATOM 0 HA VAL A 102 13.688 19.166 5.665 1.00 0.00 H new ATOM 0 HB VAL A 102 13.395 16.278 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.320 17.156 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.348 17.484 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.311 18.785 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.752 17.039 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.848 18.662 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.599 17.275 4.380 1.00 0.00 H new ATOM 1618 N LYS A 103 11.597 16.820 6.764 1.00 0.00 N ATOM 1619 CA LYS A 103 10.239 16.607 7.246 1.00 0.00 C ATOM 1620 C LYS A 103 10.028 17.232 8.597 1.00 0.00 C ATOM 1621 O LYS A 103 8.930 17.600 8.926 1.00 0.00 O ATOM 1622 CB LYS A 103 9.846 15.133 7.239 1.00 0.00 C ATOM 1623 CG LYS A 103 10.747 14.245 8.071 1.00 0.00 C ATOM 1624 CD LYS A 103 10.421 12.755 7.897 1.00 0.00 C ATOM 1625 CE LYS A 103 10.275 12.334 6.419 1.00 0.00 C ATOM 1626 NZ LYS A 103 11.479 12.583 5.581 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.163 15.974 6.692 1.00 0.00 H new ATOM 0 HA LYS A 103 9.574 17.111 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.824 15.040 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.850 14.773 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.786 14.422 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.649 14.515 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.208 12.161 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.496 12.528 8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.035 11.271 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.430 12.868 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.353 12.136 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.611 13.607 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.316 12.179 6.048 1.00 0.00 H new ATOM 1640 N GLU A 104 11.097 17.392 9.351 1.00 0.00 N ATOM 1641 CA GLU A 104 11.044 18.063 10.635 1.00 0.00 C ATOM 1642 C GLU A 104 10.539 19.496 10.536 1.00 0.00 C ATOM 1643 O GLU A 104 10.166 20.083 11.528 1.00 0.00 O ATOM 1644 CB GLU A 104 12.363 17.988 11.373 1.00 0.00 C ATOM 1645 CG GLU A 104 12.583 16.662 12.068 1.00 0.00 C ATOM 1646 CD GLU A 104 11.688 16.495 13.267 1.00 0.00 C ATOM 1647 OE1 GLU A 104 10.500 16.120 13.122 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 12.164 16.728 14.390 1.00 0.00 O ATOM 0 H GLU A 104 12.026 17.061 9.092 1.00 0.00 H new ATOM 0 HA GLU A 104 10.309 17.516 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.176 18.161 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.405 18.789 12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.401 15.850 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.625 16.585 12.380 1.00 0.00 H new ATOM 1655 N GLU A 105 10.585 20.073 9.356 1.00 0.00 N ATOM 1656 CA GLU A 105 9.991 21.373 9.143 1.00 0.00 C ATOM 1657 C GLU A 105 8.531 21.223 8.726 1.00 0.00 C ATOM 1658 O GLU A 105 7.630 21.781 9.345 1.00 0.00 O ATOM 1659 CB GLU A 105 10.738 22.163 8.064 1.00 0.00 C ATOM 1660 CG GLU A 105 12.145 22.564 8.436 1.00 0.00 C ATOM 1661 CD GLU A 105 12.181 23.382 9.705 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.549 24.464 9.757 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.813 22.932 10.704 1.00 0.00 O ATOM 0 H GLU A 105 11.026 19.664 8.532 1.00 0.00 H new ATOM 0 HA GLU A 105 10.057 21.919 10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.774 21.564 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.168 23.062 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.756 21.670 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.586 23.138 7.621 1.00 0.00 H new ATOM 1670 N LEU A 106 8.314 20.415 7.705 1.00 0.00 N ATOM 1671 CA LEU A 106 7.005 20.273 7.055 1.00 0.00 C ATOM 1672 C LEU A 106 5.980 19.587 7.953 1.00 0.00 C ATOM 1673 O LEU A 106 4.850 20.064 8.115 1.00 0.00 O ATOM 1674 CB LEU A 106 7.157 19.470 5.760 1.00 0.00 C ATOM 1675 CG LEU A 106 8.263 19.925 4.800 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.246 19.093 3.538 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.149 21.406 4.470 1.00 0.00 C ATOM 0 H LEU A 106 9.041 19.830 7.293 1.00 0.00 H new ATOM 0 HA LEU A 106 6.640 21.278 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.341 18.429 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.207 19.501 5.226 1.00 0.00 H new ATOM 0 HG LEU A 106 9.218 19.776 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.038 19.430 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.407 18.045 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.281 19.203 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.950 21.689 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.185 21.601 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.230 21.990 5.387 1.00 0.00 H new ATOM 1689 N ASP A 107 6.406 18.501 8.568 1.00 0.00 N ATOM 1690 CA ASP A 107 5.558 17.643 9.402 1.00 0.00 C ATOM 1691 C ASP A 107 4.942 18.386 10.560 1.00 0.00 C ATOM 1692 O ASP A 107 3.861 18.066 10.977 1.00 0.00 O ATOM 1693 CB ASP A 107 6.364 16.435 9.907 1.00 0.00 C ATOM 1694 CG ASP A 107 5.698 15.621 10.986 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.849 14.756 10.676 1.00 0.00 O ATOM 1696 OD2 ASP A 107 6.097 15.762 12.146 1.00 0.00 O1- ATOM 0 H ASP A 107 7.371 18.176 8.506 1.00 0.00 H new ATOM 0 HA ASP A 107 4.736 17.297 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.576 15.782 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.323 16.791 10.283 1.00 0.00 H new ATOM 1701 N ARG A 108 5.576 19.449 11.007 1.00 0.00 N ATOM 1702 CA ARG A 108 5.094 20.140 12.195 1.00 0.00 C ATOM 1703 C ARG A 108 3.860 20.995 11.875 1.00 0.00 C ATOM 1704 O ARG A 108 3.198 21.510 12.775 1.00 0.00 O ATOM 1705 CB ARG A 108 6.180 21.007 12.854 1.00 0.00 C ATOM 1706 CG ARG A 108 7.580 20.392 12.905 1.00 0.00 C ATOM 1707 CD ARG A 108 7.631 18.915 13.334 1.00 0.00 C ATOM 1708 NE ARG A 108 7.140 18.659 14.684 1.00 0.00 N ATOM 1709 CZ ARG A 108 7.574 17.659 15.465 1.00 0.00 C ATOM 1710 NH1 ARG A 108 8.594 16.876 15.079 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 7.009 17.459 16.637 1.00 0.00 N ATOM 0 H ARG A 108 6.410 19.851 10.580 1.00 0.00 H new ATOM 0 HA ARG A 108 4.815 19.365 12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.238 21.954 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.867 21.237 13.872 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.036 20.483 11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.191 20.975 13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.044 18.325 12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.661 18.565 13.263 1.00 0.00 H new ATOM 0 HE ARG A 108 6.422 19.280 15.057 1.00 0.00 H new ATOM 0 HH11 ARG A 108 9.050 17.038 14.181 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.913 16.119 15.684 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.247 18.063 16.945 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.333 16.700 17.237 1.00 0.00 H new ATOM 1725 N ASP A 109 3.575 21.178 10.589 1.00 0.00 N ATOM 1726 CA ASP A 109 2.355 21.895 10.171 1.00 0.00 C ATOM 1727 C ASP A 109 1.232 20.891 10.042 1.00 0.00 C ATOM 1728 O ASP A 109 0.045 21.192 10.233 1.00 0.00 O ATOM 1729 CB ASP A 109 2.554 22.614 8.823 1.00 0.00 C ATOM 1730 CG ASP A 109 1.331 23.420 8.401 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.084 24.492 8.978 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 0.606 22.991 7.478 1.00 0.00 O ATOM 0 H ASP A 109 4.158 20.848 9.820 1.00 0.00 H new ATOM 0 HA ASP A 109 2.119 22.651 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.415 23.278 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.782 21.877 8.053 1.00 0.00 H new ATOM 1737 N ILE A 110 1.626 19.687 9.743 1.00 0.00 N ATOM 1738 CA ILE A 110 0.719 18.588 9.562 1.00 0.00 C ATOM 1739 C ILE A 110 0.334 18.038 10.923 1.00 0.00 C ATOM 1740 O ILE A 110 -0.855 17.922 11.256 1.00 0.00 O ATOM 1741 CB ILE A 110 1.389 17.469 8.724 1.00 0.00 C ATOM 1742 CG1 ILE A 110 1.916 18.048 7.403 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.399 16.331 8.455 1.00 0.00 C ATOM 1744 CD1 ILE A 110 2.712 17.070 6.574 1.00 0.00 C ATOM 0 H ILE A 110 2.606 19.435 9.615 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.168 18.938 9.034 1.00 0.00 H new ATOM 0 HB ILE A 110 2.228 17.063 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.072 18.405 6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.540 18.914 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.888 15.555 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.063 15.909 9.402 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.459 16.718 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.047 17.557 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.578 16.731 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.087 16.214 6.321 1.00 0.00 H new ATOM 1973 N ILE B 206 26.161 15.327 8.222 1.00 0.00 N ATOM 1974 CA ILE B 206 26.303 15.294 6.792 1.00 0.00 C ATOM 1975 C ILE B 206 26.654 16.698 6.390 1.00 0.00 C ATOM 1976 O ILE B 206 26.304 17.646 7.107 1.00 0.00 O ATOM 1977 CB ILE B 206 24.969 14.892 6.099 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.256 13.764 6.865 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.216 14.464 4.651 1.00 0.00 C ATOM 1980 CD1 ILE B 206 25.084 12.501 7.030 1.00 0.00 C ATOM 0 HA ILE B 206 27.057 14.564 6.498 1.00 0.00 H new ATOM 0 HB ILE B 206 24.323 15.770 6.103 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.975 14.132 7.852 1.00 0.00 H new ATOM 0 HG13 ILE B 206 23.332 13.514 6.343 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.269 14.187 4.187 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.663 15.290 4.099 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.892 13.609 4.635 1.00 0.00 H new ATOM 0 HD11 ILE B 206 24.508 11.757 7.580 1.00 0.00 H new ATOM 0 HD12 ILE B 206 25.343 12.105 6.048 1.00 0.00 H new ATOM 0 HD13 ILE B 206 25.996 12.733 7.580 1.00 0.00 H new ATOM 1992 N ASP B 207 27.289 16.864 5.277 1.00 0.00 N ATOM 1993 CA ASP B 207 27.764 18.180 4.913 1.00 0.00 C ATOM 1994 C ASP B 207 26.755 18.944 4.084 1.00 0.00 C ATOM 1995 O ASP B 207 26.875 20.153 3.901 1.00 0.00 O ATOM 1996 CB ASP B 207 29.071 18.056 4.202 1.00 0.00 C ATOM 1997 CG ASP B 207 29.805 19.371 4.061 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.081 20.025 5.087 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 30.136 19.763 2.924 1.00 0.00 O ATOM 0 H ASP B 207 27.494 16.124 4.605 1.00 0.00 H new ATOM 0 HA ASP B 207 27.906 18.758 5.826 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.704 17.351 4.741 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.899 17.636 3.211 1.00 0.00 H new ATOM 2004 N ILE B 208 25.749 18.255 3.594 1.00 0.00 N ATOM 2005 CA ILE B 208 24.732 18.917 2.815 1.00 0.00 C ATOM 2006 C ILE B 208 23.679 19.607 3.664 1.00 0.00 C ATOM 2007 O ILE B 208 23.778 20.809 3.874 1.00 0.00 O ATOM 2008 CB ILE B 208 24.103 18.049 1.690 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.256 16.546 1.959 1.00 0.00 C ATOM 2010 CG2 ILE B 208 24.701 18.417 0.361 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.613 15.659 0.907 1.00 0.00 C ATOM 0 H ILE B 208 25.615 17.252 3.719 1.00 0.00 H new ATOM 0 HA ILE B 208 25.279 19.701 2.292 1.00 0.00 H new ATOM 0 HB ILE B 208 23.033 18.258 1.672 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.317 16.305 2.022 1.00 0.00 H new ATOM 0 HG13 ILE B 208 23.818 16.315 2.930 1.00 0.00 H new ATOM 0 HG21 ILE B 208 24.254 17.804 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE B 208 24.506 19.469 0.153 1.00 0.00 H new ATOM 0 HG23 ILE B 208 25.777 18.246 0.386 1.00 0.00 H new ATOM 0 HD11 ILE B 208 23.766 14.612 1.171 1.00 0.00 H new ATOM 0 HD12 ILE B 208 22.544 15.869 0.858 1.00 0.00 H new ATOM 0 HD13 ILE B 208 24.067 15.859 -0.064 1.00 0.00 H new ATOM 2023 N MET B 209 22.701 18.833 4.184 1.00 0.00 N ATOM 2024 CA MET B 209 21.551 19.383 4.972 1.00 0.00 C ATOM 2025 C MET B 209 20.617 20.204 4.031 1.00 0.00 C ATOM 2026 O MET B 209 21.057 20.696 2.989 1.00 0.00 O ATOM 2027 CB MET B 209 22.032 20.276 6.167 1.00 0.00 C ATOM 2028 CG MET B 209 22.941 19.594 7.209 1.00 0.00 C ATOM 2029 SD MET B 209 22.094 18.798 8.618 1.00 0.00 S ATOM 2030 CE MET B 209 21.182 17.458 7.877 1.00 0.00 C ATOM 0 H MET B 209 22.676 17.819 4.077 1.00 0.00 H new ATOM 0 HA MET B 209 21.003 18.542 5.395 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.565 21.135 5.759 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.152 20.662 6.681 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.541 18.840 6.699 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.632 20.340 7.601 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.965 16.704 8.633 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.247 17.838 7.465 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.775 17.012 7.079 1.00 0.00 H new ATOM 2040 N PRO B 210 19.315 20.295 4.330 1.00 0.00 N ATOM 2041 CA PRO B 210 18.390 21.101 3.514 1.00 0.00 C ATOM 2042 C PRO B 210 18.589 22.604 3.765 1.00 0.00 C ATOM 2043 O PRO B 210 19.057 23.010 4.850 1.00 0.00 O ATOM 2044 CB PRO B 210 17.013 20.647 3.993 1.00 0.00 C ATOM 2045 CG PRO B 210 17.229 20.187 5.394 1.00 0.00 C ATOM 2046 CD PRO B 210 18.624 19.626 5.449 1.00 0.00 C ATOM 0 HA PRO B 210 18.540 20.962 2.443 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.291 21.463 3.951 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.622 19.843 3.369 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.115 21.013 6.096 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.495 19.430 5.671 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.105 19.842 6.403 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.625 18.543 5.330 1.00 0.00 H new ATOM 2054 N ASP B 211 18.251 23.422 2.789 1.00 0.00 N ATOM 2055 CA ASP B 211 18.448 24.858 2.905 1.00 0.00 C ATOM 2056 C ASP B 211 17.134 25.546 3.158 1.00 0.00 C ATOM 2057 O ASP B 211 17.031 26.367 4.072 1.00 0.00 O ATOM 2058 CB ASP B 211 19.108 25.482 1.652 1.00 0.00 C ATOM 2059 CG ASP B 211 20.531 25.023 1.378 1.00 0.00 C ATOM 2060 OD1 ASP B 211 21.376 25.022 2.298 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.828 24.652 0.225 1.00 0.00 O ATOM 0 H ASP B 211 17.839 23.120 1.906 1.00 0.00 H new ATOM 0 HA ASP B 211 19.126 25.006 3.745 1.00 0.00 H new ATOM 0 HB2 ASP B 211 18.494 25.249 0.782 1.00 0.00 H new ATOM 0 HB3 ASP B 211 19.107 26.566 1.762 1.00 0.00 H new ATOM 2066 N PHE B 212 16.125 25.185 2.357 1.00 0.00 N ATOM 2067 CA PHE B 212 14.779 25.790 2.407 1.00 0.00 C ATOM 2068 C PHE B 212 14.809 27.313 2.224 1.00 0.00 C ATOM 2069 O PHE B 212 14.852 28.083 3.193 1.00 0.00 O ATOM 2070 CB PHE B 212 14.011 25.453 3.688 1.00 0.00 C ATOM 2071 CG PHE B 212 13.675 24.012 3.883 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.767 23.383 3.054 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.237 23.295 4.925 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.429 22.067 3.256 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.903 21.977 5.128 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.997 21.365 4.291 1.00 0.00 C ATOM 0 H PHE B 212 16.216 24.458 1.647 1.00 0.00 H new ATOM 0 HA PHE B 212 14.250 25.343 1.565 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.600 25.788 4.541 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.084 26.027 3.695 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.318 23.931 2.239 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.944 23.775 5.585 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.718 21.585 2.602 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.350 21.424 5.941 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.732 20.330 4.449 1.00 0.00 H new ATOM 2086 N SER B 213 14.820 27.742 1.009 1.00 0.00 N ATOM 2087 CA SER B 213 14.826 29.150 0.686 1.00 0.00 C ATOM 2088 C SER B 213 14.025 29.316 -0.604 1.00 0.00 C ATOM 2089 O SER B 213 13.611 28.311 -1.176 1.00 0.00 O ATOM 2090 CB SER B 213 16.290 29.604 0.468 1.00 0.00 C ATOM 2091 OG SER B 213 17.112 29.263 1.587 1.00 0.00 O ATOM 0 H SER B 213 14.825 27.128 0.194 1.00 0.00 H new ATOM 0 HA SER B 213 14.389 29.750 1.484 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.687 29.137 -0.433 1.00 0.00 H new ATOM 0 HB3 SER B 213 16.319 30.682 0.308 1.00 0.00 H new ATOM 0 HG SER B 213 18.031 29.560 1.421 1.00 0.00 H new ATOM 2097 N PRO B 214 13.691 30.536 -1.029 1.00 0.00 N ATOM 2098 CA PRO B 214 13.148 30.745 -2.359 1.00 0.00 C ATOM 2099 C PRO B 214 14.234 31.105 -3.326 1.00 0.00 C ATOM 2100 O PRO B 214 15.360 31.473 -2.933 1.00 0.00 O ATOM 2101 CB PRO B 214 12.307 31.989 -2.212 1.00 0.00 C ATOM 2102 CG PRO B 214 13.002 32.788 -1.154 1.00 0.00 C ATOM 2103 CD PRO B 214 13.705 31.798 -0.241 1.00 0.00 C ATOM 0 HA PRO B 214 12.626 29.857 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO B 214 12.246 32.540 -3.150 1.00 0.00 H new ATOM 0 HB3 PRO B 214 11.286 31.745 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.719 33.478 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO B 214 12.287 33.390 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.721 32.116 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO B 214 13.182 31.685 0.709 1.00 0.00 H new ATOM 2111 N SER B 215 13.949 30.972 -4.547 1.00 0.00 N ATOM 2112 CA SER B 215 14.745 31.533 -5.523 1.00 0.00 C ATOM 2113 C SER B 215 14.190 32.923 -5.815 1.00 0.00 C ATOM 2114 O SER B 215 13.193 33.389 -5.223 1.00 0.00 O ATOM 2115 CB SER B 215 14.779 30.679 -6.802 1.00 0.00 C ATOM 2116 OG SER B 215 13.524 30.716 -7.470 1.00 0.00 O ATOM 0 H SER B 215 13.140 30.460 -4.897 1.00 0.00 H new ATOM 0 HA SER B 215 15.775 31.590 -5.170 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.561 31.045 -7.468 1.00 0.00 H new ATOM 0 HB3 SER B 215 15.031 29.649 -6.550 1.00 0.00 H new ATOM 0 HG SER B 215 12.914 30.071 -7.055 1.00 0.00 H new ATOM 2122 N GLY B 216 14.807 33.520 -6.692 1.00 0.00 N ATOM 2123 CA GLY B 216 14.472 34.806 -7.170 1.00 0.00 C ATOM 2124 C GLY B 216 13.991 34.684 -8.584 1.00 0.00 C ATOM 2125 O GLY B 216 13.632 35.666 -9.216 1.00 0.00 O ATOM 0 H GLY B 216 15.627 33.124 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.698 35.251 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.339 35.465 -7.122 1.00 0.00 H new ATOM 2129 N LEU B 217 13.996 33.455 -9.092 1.00 0.00 N ATOM 2130 CA LEU B 217 13.492 33.185 -10.427 1.00 0.00 C ATOM 2131 C LEU B 217 12.017 33.185 -10.306 1.00 0.00 C ATOM 2132 O LEU B 217 11.287 33.781 -11.085 1.00 0.00 O ATOM 2133 CB LEU B 217 13.854 31.760 -10.888 1.00 0.00 C ATOM 2134 CG LEU B 217 15.270 31.270 -10.682 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.420 29.878 -11.243 1.00 0.00 C ATOM 2136 CD2 LEU B 217 16.255 32.186 -11.314 1.00 0.00 C ATOM 0 H LEU B 217 14.344 32.634 -8.597 1.00 0.00 H new ATOM 0 HA LEU B 217 13.903 33.917 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU B 217 13.186 31.067 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.631 31.690 -11.953 1.00 0.00 H new ATOM 0 HG LEU B 217 15.470 31.250 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.443 29.533 -11.091 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.730 29.205 -10.735 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.196 29.890 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.263 31.806 -11.148 1.00 0.00 H new ATOM 0 HD22 LEU B 217 16.061 32.246 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU B 217 16.164 33.179 -10.873 1.00 0.00 H new ATOM 2148 N LEU B 218 11.614 32.544 -9.247 1.00 0.00 N ATOM 2149 CA LEU B 218 10.266 32.230 -8.949 1.00 0.00 C ATOM 2150 C LEU B 218 9.392 33.470 -8.841 1.00 0.00 C ATOM 2151 O LEU B 218 8.270 33.469 -9.295 1.00 0.00 O ATOM 2152 CB LEU B 218 10.254 31.426 -7.668 1.00 0.00 C ATOM 2153 CG LEU B 218 9.091 30.430 -7.519 1.00 0.00 C ATOM 2154 CD1 LEU B 218 8.947 29.571 -8.767 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.332 29.536 -6.346 1.00 0.00 C ATOM 0 H LEU B 218 12.263 32.212 -8.534 1.00 0.00 H new ATOM 0 HA LEU B 218 9.840 31.647 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU B 218 11.192 30.875 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU B 218 10.226 32.118 -6.826 1.00 0.00 H new ATOM 0 HG LEU B 218 8.176 31.003 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.118 28.875 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU B 218 8.752 30.210 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU B 218 9.868 29.011 -8.932 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.504 28.834 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.260 28.984 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU B 218 9.408 30.137 -5.440 1.00 0.00 H new ATOM 2167 N GLU B 219 9.936 34.534 -8.300 1.00 0.00 N ATOM 2168 CA GLU B 219 9.181 35.765 -8.132 1.00 0.00 C ATOM 2169 C GLU B 219 8.986 36.500 -9.466 1.00 0.00 C ATOM 2170 O GLU B 219 8.081 37.321 -9.603 1.00 0.00 O ATOM 2171 CB GLU B 219 9.858 36.666 -7.120 1.00 0.00 C ATOM 2172 CG GLU B 219 11.293 36.981 -7.461 1.00 0.00 C ATOM 2173 CD GLU B 219 11.912 37.915 -6.490 1.00 0.00 C ATOM 2174 OE1 GLU B 219 12.285 37.483 -5.395 1.00 0.00 O ATOM 2175 OE2 GLU B 219 12.040 39.100 -6.804 1.00 0.00 O1- ATOM 0 H GLU B 219 10.899 34.578 -7.967 1.00 0.00 H new ATOM 0 HA GLU B 219 8.192 35.498 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.298 37.598 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.822 36.190 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.869 36.056 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.340 37.416 -8.460 1.00 0.00 H new ATOM 2182 N LEU B 220 9.823 36.191 -10.439 1.00 0.00 N ATOM 2183 CA LEU B 220 9.738 36.810 -11.750 1.00 0.00 C ATOM 2184 C LEU B 220 8.706 36.060 -12.564 1.00 0.00 C ATOM 2185 O LEU B 220 7.772 36.647 -13.122 1.00 0.00 O ATOM 2186 CB LEU B 220 11.094 36.735 -12.464 1.00 0.00 C ATOM 2187 CG LEU B 220 12.300 37.300 -11.711 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.566 37.073 -12.510 1.00 0.00 C ATOM 2189 CD2 LEU B 220 12.120 38.782 -11.413 1.00 0.00 C ATOM 0 H LEU B 220 10.576 35.509 -10.345 1.00 0.00 H new ATOM 0 HA LEU B 220 9.457 37.858 -11.642 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.298 35.690 -12.698 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.008 37.263 -13.414 1.00 0.00 H new ATOM 0 HG LEU B 220 12.381 36.775 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.418 37.479 -11.965 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.711 36.004 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.482 37.572 -13.475 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.993 39.154 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU B 220 12.007 39.330 -12.348 1.00 0.00 H new ATOM 0 HD23 LEU B 220 11.230 38.924 -10.800 1.00 0.00 H new ATOM 2201 N GLU B 221 8.864 34.749 -12.574 1.00 0.00 N ATOM 2202 CA GLU B 221 7.990 33.840 -13.298 1.00 0.00 C ATOM 2203 C GLU B 221 6.588 33.909 -12.711 1.00 0.00 C ATOM 2204 O GLU B 221 5.589 33.946 -13.446 1.00 0.00 O ATOM 2205 CB GLU B 221 8.530 32.411 -13.175 1.00 0.00 C ATOM 2206 CG GLU B 221 10.011 32.272 -13.523 1.00 0.00 C ATOM 2207 CD GLU B 221 10.342 32.680 -14.934 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.273 31.834 -15.838 1.00 0.00 O ATOM 2209 OE2 GLU B 221 10.695 33.844 -15.157 1.00 0.00 O1- ATOM 0 H GLU B 221 9.615 34.277 -12.071 1.00 0.00 H new ATOM 0 HA GLU B 221 7.955 34.126 -14.349 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.373 32.061 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.951 31.758 -13.828 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.596 32.879 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.315 31.236 -13.373 1.00 0.00 H new ATOM 2461 N PRO C 315 -5.129 23.833 -0.332 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.743 24.349 -0.337 1.00 0.00 C ATOM 2463 C PRO C 315 -2.991 24.059 0.977 1.00 0.00 C ATOM 2464 O PRO C 315 -3.598 23.680 2.002 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.923 25.868 -0.520 1.00 0.00 C ATOM 2466 CG PRO C 315 -5.339 26.139 -0.155 1.00 0.00 C ATOM 2467 CD PRO C 315 -6.104 24.917 -0.556 1.00 0.00 C ATOM 0 HA PRO C 315 -3.145 23.875 -1.115 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -3.238 26.426 0.119 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.717 26.168 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -5.438 26.329 0.914 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.714 27.022 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -7.001 24.785 0.048 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -6.425 24.964 -1.597 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.692 24.250 0.949 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.877 23.957 2.099 1.00 0.00 C ATOM 2477 C GLY C 316 -0.318 25.190 2.796 1.00 0.00 C ATOM 2478 O GLY C 316 -0.784 26.325 2.588 1.00 0.00 O ATOM 0 H GLY C 316 -1.180 24.607 0.142 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.469 23.386 2.814 1.00 0.00 H new ATOM 0 HA3 GLY C 316 -0.048 23.320 1.791 1.00 0.00 H new ATOM 2482 N SER C 317 0.683 24.957 3.606 1.00 0.00 N ATOM 2483 CA SER C 317 1.317 25.965 4.417 1.00 0.00 C ATOM 2484 C SER C 317 2.211 26.911 3.607 1.00 0.00 C ATOM 2485 O SER C 317 1.920 28.113 3.513 1.00 0.00 O ATOM 2486 CB SER C 317 2.126 25.270 5.530 1.00 0.00 C ATOM 2487 OG SER C 317 2.804 26.186 6.376 1.00 0.00 O ATOM 0 H SER C 317 1.093 24.030 3.723 1.00 0.00 H new ATOM 0 HA SER C 317 0.535 26.589 4.849 1.00 0.00 H new ATOM 0 HB2 SER C 317 1.454 24.657 6.131 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.853 24.596 5.077 1.00 0.00 H new ATOM 0 HG SER C 317 3.298 25.692 7.063 1.00 0.00 H new ATOM 2493 N ARG C 318 3.239 26.358 2.959 1.00 0.00 N ATOM 2494 CA ARG C 318 4.303 27.162 2.324 1.00 0.00 C ATOM 2495 C ARG C 318 3.949 27.667 0.931 1.00 0.00 C ATOM 2496 O ARG C 318 4.818 27.960 0.114 1.00 0.00 O ATOM 2497 CB ARG C 318 5.646 26.413 2.336 1.00 0.00 C ATOM 2498 CG ARG C 318 6.190 26.181 3.742 1.00 0.00 C ATOM 2499 CD ARG C 318 7.587 25.579 3.735 1.00 0.00 C ATOM 2500 NE ARG C 318 8.119 25.406 5.103 1.00 0.00 N ATOM 2501 CZ ARG C 318 9.427 25.457 5.457 1.00 0.00 C ATOM 2502 NH1 ARG C 318 10.371 25.686 4.548 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.776 25.316 6.736 1.00 0.00 N ATOM 0 H ARG C 318 3.363 25.351 2.856 1.00 0.00 H new ATOM 0 HA ARG C 318 4.405 28.059 2.935 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.523 25.452 1.837 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.377 26.980 1.759 1.00 0.00 H new ATOM 0 HG2 ARG C 318 6.209 27.128 4.281 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.515 25.519 4.284 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.564 24.614 3.230 1.00 0.00 H new ATOM 0 HD3 ARG C 318 8.257 26.222 3.164 1.00 0.00 H new ATOM 0 HE ARG C 318 7.443 25.233 5.847 1.00 0.00 H new ATOM 0 HH11 ARG C 318 10.115 25.826 3.571 1.00 0.00 H new ATOM 0 HH12 ARG C 318 11.351 25.722 4.828 1.00 0.00 H new ATOM 0 HH21 ARG C 318 9.059 25.170 7.447 1.00 0.00 H new ATOM 0 HH22 ARG C 318 10.760 25.354 7.003 1.00 0.00 H new ATOM 2517 N TRP C 319 2.688 27.806 0.692 1.00 0.00 N ATOM 2518 CA TRP C 319 2.201 28.380 -0.512 1.00 0.00 C ATOM 2519 C TRP C 319 1.908 29.833 -0.241 1.00 0.00 C ATOM 2520 O TRP C 319 1.184 30.152 0.699 1.00 0.00 O ATOM 2521 CB TRP C 319 0.948 27.659 -0.962 1.00 0.00 C ATOM 2522 CG TRP C 319 0.277 28.291 -2.124 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.787 28.473 -3.373 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -1.044 28.814 -2.145 1.00 0.00 C ATOM 2525 NE1 TRP C 319 -0.143 29.087 -4.163 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.279 29.297 -3.434 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.051 28.914 -1.192 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.485 29.876 -3.802 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.243 29.484 -1.555 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.452 29.959 -2.848 1.00 0.00 C ATOM 0 H TRP C 319 1.956 27.518 1.341 1.00 0.00 H new ATOM 0 HA TRP C 319 2.940 28.289 -1.308 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.204 26.631 -1.217 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.246 27.615 -0.129 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.776 28.177 -3.691 1.00 0.00 H new ATOM 0 HE1 TRP C 319 -0.010 29.347 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.897 28.550 -0.187 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.649 30.245 -4.803 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.035 29.567 -0.825 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.404 30.403 -3.099 1.00 0.00 H new ATOM 2541 N ASP C 320 2.494 30.704 -1.019 1.00 0.00 N ATOM 2542 CA ASP C 320 2.307 32.132 -0.821 1.00 0.00 C ATOM 2543 C ASP C 320 0.896 32.577 -1.222 1.00 0.00 C ATOM 2544 O ASP C 320 0.056 32.853 -0.364 1.00 0.00 O ATOM 2545 CB ASP C 320 3.363 32.939 -1.573 1.00 0.00 C ATOM 2546 CG ASP C 320 3.274 34.410 -1.258 1.00 0.00 C ATOM 2547 OD1 ASP C 320 3.883 34.845 -0.251 1.00 0.00 O ATOM 2548 OD2 ASP C 320 2.598 35.150 -1.995 1.00 0.00 O1- ATOM 0 H ASP C 320 3.106 30.458 -1.797 1.00 0.00 H new ATOM 0 HA ASP C 320 2.427 32.328 0.245 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.355 32.571 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP C 320 3.239 32.789 -2.646 1.00 0.00 H new ATOM 2553 N GLY C 321 0.643 32.651 -2.512 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.669 33.036 -2.985 1.00 0.00 C ATOM 2555 C GLY C 321 -0.710 33.118 -4.486 1.00 0.00 C ATOM 2556 O GLY C 321 -1.257 34.058 -5.056 1.00 0.00 O ATOM 0 H GLY C 321 1.323 32.451 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -1.408 32.314 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.942 34.001 -2.559 1.00 0.00 H new