USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 717 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 96 GLN :FLIP amide:sc= -0.117 F(o=-1,f=-0.29) USER MOD Set 1.2: A 106 SER OG : rot 177:sc= -0.172 USER MOD Set 2.1: A 90 GLN : amide:sc= -0.0121 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= -1.16 USER MOD Set 3.1: A 28 THR OG1 : rot -129:sc= -2.31! USER MOD Set 3.2: A 31 SER OG : rot -67:sc= -0.311 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 33 GLN : amide:sc=-0.000924 X(o=-0.00092,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.215) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0635 X(o=-0.064,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.1 K(o=1.1,f=-1.5!) USER MOD Single : A 51 TYR OH : rot 78:sc= -1.93 USER MOD Single : A 52 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 148:sc= -0.406 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -112:sc= -2.32 (180deg=-5.95!) USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= -0.941 (180deg=-2.86!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -170:sc= -0.776 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.928 F(o=-2!,f=-0.93) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 15:sc= -0.346 USER MOD Single : A 99 ASN : amide:sc= -4.29 K(o=-4.3,f=-16!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 80:sc= -2.85! USER MOD Single : A 108 SER OG : rot 180:sc= 0.144 USER MOD Single : A 111 ASN : amide:sc= -0.0646 K(o=-0.065,f=-0.67) USER MOD Single : A 114 THR OG1 : rot -149:sc= 0.0185 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 12.012 11.880 -3.623 1.00 0.00 N ATOM 151 CA ALA A 14 10.853 11.005 -3.580 1.00 0.00 C ATOM 152 C ALA A 14 10.953 9.978 -4.710 1.00 0.00 C ATOM 153 O ALA A 14 11.728 10.155 -5.648 1.00 0.00 O ATOM 154 CB ALA A 14 9.576 11.843 -3.666 1.00 0.00 C ATOM 0 HA ALA A 14 10.821 10.458 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.707 11.186 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.538 12.536 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.572 12.405 -4.600 1.00 0.00 H new ATOM 160 N PRO A 15 10.137 8.898 -4.579 1.00 0.00 N ATOM 161 CA PRO A 15 10.126 7.842 -5.578 1.00 0.00 C ATOM 162 C PRO A 15 9.388 8.290 -6.841 1.00 0.00 C ATOM 163 O PRO A 15 8.460 9.094 -6.770 1.00 0.00 O ATOM 164 CB PRO A 15 9.464 6.658 -4.891 1.00 0.00 C ATOM 165 CG PRO A 15 8.713 7.233 -3.701 1.00 0.00 C ATOM 166 CD PRO A 15 9.206 8.654 -3.481 1.00 0.00 C ATOM 0 HA PRO A 15 11.126 7.578 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.784 6.143 -5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.207 5.928 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.639 7.226 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.886 6.627 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.381 9.366 -3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.698 8.757 -2.514 1.00 0.00 H new ATOM 174 N ASP A 16 9.829 7.751 -7.968 1.00 0.00 N ATOM 175 CA ASP A 16 9.222 8.085 -9.245 1.00 0.00 C ATOM 176 C ASP A 16 8.642 6.817 -9.876 1.00 0.00 C ATOM 177 O ASP A 16 8.817 6.578 -11.070 1.00 0.00 O ATOM 178 CB ASP A 16 10.258 8.663 -10.212 1.00 0.00 C ATOM 179 CG ASP A 16 10.569 10.148 -10.015 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.174 10.674 -8.952 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.194 10.723 -10.931 1.00 0.00 O ATOM 0 H ASP A 16 10.600 7.085 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 16 8.443 8.826 -9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.184 8.097 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.904 8.514 -11.232 1.00 0.00 H new ATOM 186 N GLY A 17 7.963 6.039 -9.046 1.00 0.00 N ATOM 187 CA GLY A 17 7.355 4.803 -9.508 1.00 0.00 C ATOM 188 C GLY A 17 6.822 3.981 -8.332 1.00 0.00 C ATOM 189 O GLY A 17 7.402 3.994 -7.248 1.00 0.00 O ATOM 0 H GLY A 17 7.820 6.241 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.541 5.029 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.089 4.218 -10.063 1.00 0.00 H new ATOM 193 N PRO A 18 5.694 3.269 -8.594 1.00 0.00 N ATOM 194 CA PRO A 18 5.076 2.443 -7.570 1.00 0.00 C ATOM 195 C PRO A 18 5.876 1.159 -7.344 1.00 0.00 C ATOM 196 O PRO A 18 6.827 0.880 -8.072 1.00 0.00 O ATOM 197 CB PRO A 18 3.665 2.183 -8.073 1.00 0.00 C ATOM 198 CG PRO A 18 3.693 2.478 -9.564 1.00 0.00 C ATOM 199 CD PRO A 18 4.979 3.230 -9.866 1.00 0.00 C ATOM 0 HA PRO A 18 5.054 2.929 -6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.367 1.152 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.944 2.821 -7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.649 1.552 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.826 3.073 -9.852 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.564 2.722 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.773 4.235 -10.235 1.00 0.00 H new ATOM 207 N PRO A 19 5.450 0.391 -6.305 1.00 0.00 N ATOM 208 CA PRO A 19 6.117 -0.857 -5.975 1.00 0.00 C ATOM 209 C PRO A 19 5.756 -1.954 -6.978 1.00 0.00 C ATOM 210 O PRO A 19 4.810 -1.807 -7.751 1.00 0.00 O ATOM 211 CB PRO A 19 5.670 -1.178 -4.558 1.00 0.00 C ATOM 212 CG PRO A 19 4.416 -0.352 -4.319 1.00 0.00 C ATOM 213 CD PRO A 19 4.327 0.690 -5.422 1.00 0.00 C ATOM 0 HA PRO A 19 7.203 -0.781 -6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.464 -2.242 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.447 -0.926 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.532 -0.990 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.456 0.129 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.377 0.625 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.398 1.700 -5.019 1.00 0.00 H new ATOM 221 N MET A 20 6.528 -3.029 -6.934 1.00 0.00 N ATOM 222 CA MET A 20 6.302 -4.150 -7.830 1.00 0.00 C ATOM 223 C MET A 20 5.621 -5.308 -7.098 1.00 0.00 C ATOM 224 O MET A 20 5.364 -5.223 -5.898 1.00 0.00 O ATOM 225 CB MET A 20 7.639 -4.624 -8.403 1.00 0.00 C ATOM 226 CG MET A 20 8.349 -3.492 -9.147 1.00 0.00 C ATOM 227 SD MET A 20 9.741 -4.138 -10.060 1.00 0.00 S ATOM 228 CE MET A 20 8.949 -4.499 -11.618 1.00 0.00 C ATOM 0 H MET A 20 7.311 -3.148 -6.292 1.00 0.00 H new ATOM 0 HA MET A 20 5.648 -3.820 -8.637 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.275 -4.989 -7.597 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.472 -5.461 -9.081 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.654 -3.001 -9.828 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.688 -2.736 -8.438 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.681 -4.913 -12.311 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.149 -5.222 -11.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.533 -3.582 -12.036 1.00 0.00 H new ATOM 238 N ASP A 21 5.349 -6.364 -7.851 1.00 0.00 N ATOM 239 CA ASP A 21 4.702 -7.538 -7.288 1.00 0.00 C ATOM 240 C ASP A 21 3.491 -7.101 -6.462 1.00 0.00 C ATOM 241 O ASP A 21 3.148 -7.742 -5.470 1.00 0.00 O ATOM 242 CB ASP A 21 5.654 -8.301 -6.365 1.00 0.00 C ATOM 243 CG ASP A 21 5.170 -9.690 -5.943 1.00 0.00 C ATOM 244 OD1 ASP A 21 5.328 -10.620 -6.763 1.00 0.00 O ATOM 245 OD2 ASP A 21 4.652 -9.789 -4.809 1.00 0.00 O ATOM 0 H ASP A 21 5.565 -6.431 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 21 4.402 -8.186 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.616 -8.405 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.824 -7.704 -5.469 1.00 0.00 H new ATOM 250 N VAL A 22 2.877 -6.012 -6.901 1.00 0.00 N ATOM 251 CA VAL A 22 1.712 -5.482 -6.214 1.00 0.00 C ATOM 252 C VAL A 22 0.488 -6.330 -6.566 1.00 0.00 C ATOM 253 O VAL A 22 -0.012 -6.270 -7.688 1.00 0.00 O ATOM 254 CB VAL A 22 1.531 -4.001 -6.556 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.364 -3.396 -5.773 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.823 -3.220 -6.307 1.00 0.00 C ATOM 0 H VAL A 22 3.165 -5.482 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 22 1.847 -5.538 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 22 1.295 -3.928 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.257 -2.343 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.555 -3.927 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.557 -3.486 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.668 -2.171 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.103 -3.305 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.620 -3.628 -6.929 1.00 0.00 H new ATOM 266 N THR A 23 0.040 -7.101 -5.586 1.00 0.00 N ATOM 267 CA THR A 23 -1.116 -7.960 -5.778 1.00 0.00 C ATOM 268 C THR A 23 -1.883 -8.124 -4.464 1.00 0.00 C ATOM 269 O THR A 23 -1.330 -7.907 -3.387 1.00 0.00 O ATOM 270 CB THR A 23 -0.627 -9.286 -6.365 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.804 -9.882 -6.903 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.169 -10.270 -5.287 1.00 0.00 C ATOM 0 H THR A 23 0.457 -7.149 -4.656 1.00 0.00 H new ATOM 0 HA THR A 23 -1.825 -7.519 -6.479 1.00 0.00 H new ATOM 0 HB THR A 23 0.195 -9.097 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.578 -10.746 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.168 -11.194 -5.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.652 -9.832 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.000 -10.487 -4.615 1.00 0.00 H new ATOM 280 N LEU A 24 -3.144 -8.506 -4.596 1.00 0.00 N ATOM 281 CA LEU A 24 -3.993 -8.701 -3.433 1.00 0.00 C ATOM 282 C LEU A 24 -4.289 -10.194 -3.268 1.00 0.00 C ATOM 283 O LEU A 24 -4.060 -10.981 -4.185 1.00 0.00 O ATOM 284 CB LEU A 24 -5.249 -7.833 -3.534 1.00 0.00 C ATOM 285 CG LEU A 24 -5.014 -6.327 -3.669 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.325 -5.591 -3.950 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.297 -5.772 -2.437 1.00 0.00 C ATOM 0 H LEU A 24 -3.599 -8.686 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.480 -8.375 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.830 -8.168 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.859 -8.007 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.361 -6.158 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.130 -4.522 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.758 -5.962 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.022 -5.764 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.142 -4.700 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.905 -5.953 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.333 -6.267 -2.323 1.00 0.00 H new ATOM 299 N GLN A 25 -4.793 -10.537 -2.092 1.00 0.00 N ATOM 300 CA GLN A 25 -5.123 -11.921 -1.795 1.00 0.00 C ATOM 301 C GLN A 25 -5.979 -12.003 -0.530 1.00 0.00 C ATOM 302 O GLN A 25 -5.538 -11.607 0.549 1.00 0.00 O ATOM 303 CB GLN A 25 -3.856 -12.768 -1.656 1.00 0.00 C ATOM 304 CG GLN A 25 -4.116 -14.216 -2.079 1.00 0.00 C ATOM 305 CD GLN A 25 -2.813 -14.914 -2.474 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.407 -14.922 -3.624 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.182 -15.497 -1.459 1.00 0.00 N ATOM 0 H GLN A 25 -4.981 -9.881 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.701 -12.324 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.061 -12.343 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.509 -12.744 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.590 -14.758 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.811 -14.234 -2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.577 -15.453 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.303 -15.989 -1.620 1.00 0.00 H new ATOM 316 N PRO A 26 -7.219 -12.533 -0.708 1.00 0.00 N ATOM 317 CA PRO A 26 -8.140 -12.671 0.407 1.00 0.00 C ATOM 318 C PRO A 26 -7.735 -13.836 1.312 1.00 0.00 C ATOM 319 O PRO A 26 -7.850 -14.998 0.924 1.00 0.00 O ATOM 320 CB PRO A 26 -9.505 -12.864 -0.233 1.00 0.00 C ATOM 321 CG PRO A 26 -9.237 -13.290 -1.667 1.00 0.00 C ATOM 322 CD PRO A 26 -7.774 -13.012 -1.970 1.00 0.00 C ATOM 0 HA PRO A 26 -8.141 -11.800 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.082 -13.621 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.085 -11.942 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.460 -14.349 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.880 -12.741 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.262 -13.912 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.667 -12.266 -2.758 1.00 0.00 H new ATOM 330 N VAL A 27 -7.268 -13.485 2.501 1.00 0.00 N ATOM 331 CA VAL A 27 -6.845 -14.487 3.465 1.00 0.00 C ATOM 332 C VAL A 27 -7.979 -14.744 4.459 1.00 0.00 C ATOM 333 O VAL A 27 -8.146 -15.864 4.941 1.00 0.00 O ATOM 334 CB VAL A 27 -5.545 -14.047 4.141 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.335 -14.359 3.260 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.592 -12.561 4.502 1.00 0.00 C ATOM 0 H VAL A 27 -7.173 -12.521 2.819 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.632 -15.432 2.965 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.440 -14.614 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.424 -14.036 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.286 -15.432 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.430 -13.832 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.656 -12.273 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.732 -11.971 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.421 -12.379 5.186 1.00 0.00 H new ATOM 346 N THR A 28 -8.730 -13.688 4.736 1.00 0.00 N ATOM 347 CA THR A 28 -9.844 -13.785 5.664 1.00 0.00 C ATOM 348 C THR A 28 -11.105 -13.174 5.050 1.00 0.00 C ATOM 349 O THR A 28 -11.048 -12.571 3.980 1.00 0.00 O ATOM 350 CB THR A 28 -9.425 -13.122 6.977 1.00 0.00 C ATOM 351 OG1 THR A 28 -8.501 -12.114 6.577 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.598 -14.053 7.867 1.00 0.00 C ATOM 0 H THR A 28 -8.589 -12.761 4.334 1.00 0.00 H new ATOM 0 HA THR A 28 -10.094 -14.825 5.874 1.00 0.00 H new ATOM 0 HB THR A 28 -10.313 -12.797 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.680 -12.194 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.327 -13.532 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.185 -14.939 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.693 -14.352 7.339 1.00 0.00 H new ATOM 360 N SER A 29 -12.213 -13.351 5.754 1.00 0.00 N ATOM 361 CA SER A 29 -13.486 -12.824 5.291 1.00 0.00 C ATOM 362 C SER A 29 -13.589 -11.335 5.627 1.00 0.00 C ATOM 363 O SER A 29 -14.470 -10.641 5.122 1.00 0.00 O ATOM 364 CB SER A 29 -14.657 -13.590 5.911 1.00 0.00 C ATOM 365 OG SER A 29 -14.936 -14.798 5.209 1.00 0.00 O ATOM 0 H SER A 29 -12.256 -13.852 6.642 1.00 0.00 H new ATOM 0 HA SER A 29 -13.536 -12.950 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.429 -13.820 6.952 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.545 -12.957 5.911 1.00 0.00 H new ATOM 0 HG SER A 29 -15.688 -15.258 5.636 1.00 0.00 H new ATOM 371 N GLN A 30 -12.676 -10.888 6.476 1.00 0.00 N ATOM 372 CA GLN A 30 -12.653 -9.494 6.885 1.00 0.00 C ATOM 373 C GLN A 30 -11.224 -8.948 6.829 1.00 0.00 C ATOM 374 O GLN A 30 -10.812 -8.187 7.704 1.00 0.00 O ATOM 375 CB GLN A 30 -13.251 -9.322 8.282 1.00 0.00 C ATOM 376 CG GLN A 30 -14.750 -9.625 8.278 1.00 0.00 C ATOM 377 CD GLN A 30 -15.110 -10.628 9.376 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.876 -10.410 10.553 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.691 -11.737 8.926 1.00 0.00 N ATOM 0 H GLN A 30 -11.946 -11.467 6.892 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.268 -8.922 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.744 -9.986 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.083 -8.303 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.311 -8.702 8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.041 -10.024 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.858 -11.856 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.970 -12.468 9.580 1.00 0.00 H new ATOM 388 N SER A 31 -10.509 -9.357 5.792 1.00 0.00 N ATOM 389 CA SER A 31 -9.135 -8.918 5.610 1.00 0.00 C ATOM 390 C SER A 31 -8.623 -9.356 4.237 1.00 0.00 C ATOM 391 O SER A 31 -9.264 -10.158 3.558 1.00 0.00 O ATOM 392 CB SER A 31 -8.231 -9.470 6.714 1.00 0.00 C ATOM 393 OG SER A 31 -7.130 -10.204 6.185 1.00 0.00 O ATOM 0 H SER A 31 -10.855 -9.988 5.069 1.00 0.00 H new ATOM 0 HA SER A 31 -9.113 -7.830 5.668 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.859 -8.646 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.814 -10.115 7.372 1.00 0.00 H new ATOM 0 HG SER A 31 -7.458 -11.023 5.758 1.00 0.00 H new ATOM 399 N ILE A 32 -7.474 -8.811 3.867 1.00 0.00 N ATOM 400 CA ILE A 32 -6.868 -9.135 2.587 1.00 0.00 C ATOM 401 C ILE A 32 -5.354 -8.935 2.678 1.00 0.00 C ATOM 402 O ILE A 32 -4.887 -7.987 3.307 1.00 0.00 O ATOM 403 CB ILE A 32 -7.528 -8.332 1.464 1.00 0.00 C ATOM 404 CG1 ILE A 32 -9.014 -8.675 1.345 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.786 -8.529 0.140 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.649 -7.957 0.152 1.00 0.00 C ATOM 0 H ILE A 32 -6.946 -8.146 4.432 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.036 -10.183 2.340 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.461 -7.274 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.134 -9.752 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.531 -8.391 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.275 -7.948 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.754 -8.195 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.799 -9.585 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.705 -8.218 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.549 -6.879 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.146 -8.261 -0.766 1.00 0.00 H new ATOM 418 N GLN A 33 -4.630 -9.844 2.042 1.00 0.00 N ATOM 419 CA GLN A 33 -3.179 -9.779 2.043 1.00 0.00 C ATOM 420 C GLN A 33 -2.681 -8.990 0.830 1.00 0.00 C ATOM 421 O GLN A 33 -3.123 -9.228 -0.293 1.00 0.00 O ATOM 422 CB GLN A 33 -2.567 -11.181 2.074 1.00 0.00 C ATOM 423 CG GLN A 33 -1.093 -11.146 1.665 1.00 0.00 C ATOM 424 CD GLN A 33 -0.342 -12.359 2.216 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.257 -13.405 1.593 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.196 -12.162 3.416 1.00 0.00 N ATOM 0 H GLN A 33 -5.021 -10.630 1.522 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.859 -9.259 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.660 -11.600 3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.119 -11.837 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.014 -11.128 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.631 -10.230 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.087 -11.261 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.718 -12.912 3.870 1.00 0.00 H new ATOM 435 N VAL A 34 -1.768 -8.068 1.097 1.00 0.00 N ATOM 436 CA VAL A 34 -1.206 -7.243 0.041 1.00 0.00 C ATOM 437 C VAL A 34 0.317 -7.381 0.049 1.00 0.00 C ATOM 438 O VAL A 34 0.977 -6.972 1.003 1.00 0.00 O ATOM 439 CB VAL A 34 -1.676 -5.796 0.201 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.071 -4.900 -0.881 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.204 -5.711 0.192 1.00 0.00 C ATOM 0 H VAL A 34 -1.403 -7.874 2.030 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.558 -7.579 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.326 -5.436 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.421 -3.877 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.016 -4.924 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.376 -5.260 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.511 -4.672 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.584 -6.099 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.606 -6.302 1.015 1.00 0.00 H new ATOM 451 N THR A 35 0.833 -7.959 -1.026 1.00 0.00 N ATOM 452 CA THR A 35 2.266 -8.156 -1.156 1.00 0.00 C ATOM 453 C THR A 35 2.811 -7.349 -2.335 1.00 0.00 C ATOM 454 O THR A 35 2.147 -7.217 -3.362 1.00 0.00 O ATOM 455 CB THR A 35 2.528 -9.659 -1.275 1.00 0.00 C ATOM 456 OG1 THR A 35 1.445 -10.138 -2.068 1.00 0.00 O ATOM 457 CG2 THR A 35 2.365 -10.390 0.059 1.00 0.00 C ATOM 0 H THR A 35 0.283 -8.297 -1.816 1.00 0.00 H new ATOM 0 HA THR A 35 2.797 -7.787 -0.278 1.00 0.00 H new ATOM 0 HB THR A 35 3.536 -9.822 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.536 -11.105 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.562 -11.453 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.069 -9.984 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.347 -10.255 0.426 1.00 0.00 H new ATOM 465 N TRP A 36 4.016 -6.829 -2.149 1.00 0.00 N ATOM 466 CA TRP A 36 4.658 -6.038 -3.185 1.00 0.00 C ATOM 467 C TRP A 36 6.170 -6.106 -2.963 1.00 0.00 C ATOM 468 O TRP A 36 6.626 -6.456 -1.875 1.00 0.00 O ATOM 469 CB TRP A 36 4.119 -4.607 -3.196 1.00 0.00 C ATOM 470 CG TRP A 36 4.520 -3.782 -1.971 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.675 -3.139 -1.752 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.714 -3.535 -0.799 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.673 -2.499 -0.529 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.443 -2.747 0.068 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.413 -3.963 -0.483 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.955 -2.320 1.309 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.940 -3.527 0.760 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.661 -2.734 1.645 1.00 0.00 C ATOM 0 H TRP A 36 4.564 -6.940 -1.296 1.00 0.00 H new ATOM 0 HA TRP A 36 4.433 -6.441 -4.173 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.475 -4.102 -4.094 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.031 -4.640 -3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.503 -3.123 -2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.434 -1.946 -0.136 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.825 -4.579 -1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.545 -1.704 1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.945 -3.828 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.225 -2.439 2.588 1.00 0.00 H new ATOM 489 N LYS A 37 6.906 -5.765 -4.011 1.00 0.00 N ATOM 490 CA LYS A 37 8.358 -5.783 -3.943 1.00 0.00 C ATOM 491 C LYS A 37 8.888 -4.355 -4.089 1.00 0.00 C ATOM 492 O LYS A 37 8.122 -3.428 -4.349 1.00 0.00 O ATOM 493 CB LYS A 37 8.930 -6.759 -4.973 1.00 0.00 C ATOM 494 CG LYS A 37 8.819 -8.204 -4.480 1.00 0.00 C ATOM 495 CD LYS A 37 9.651 -9.146 -5.352 1.00 0.00 C ATOM 496 CE LYS A 37 10.967 -9.511 -4.662 1.00 0.00 C ATOM 497 NZ LYS A 37 12.051 -9.658 -5.659 1.00 0.00 N ATOM 0 H LYS A 37 6.524 -5.475 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 37 8.690 -6.150 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.396 -6.651 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.975 -6.517 -5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.157 -8.266 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.775 -8.517 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.082 -10.052 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.858 -8.672 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.232 -8.739 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.847 -10.441 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.937 -9.906 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.803 -10.410 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.176 -8.761 -6.171 1.00 0.00 H new ATOM 511 N ALA A 38 10.195 -4.223 -3.913 1.00 0.00 N ATOM 512 CA ALA A 38 10.836 -2.923 -4.022 1.00 0.00 C ATOM 513 C ALA A 38 10.546 -2.330 -5.402 1.00 0.00 C ATOM 514 O ALA A 38 10.585 -3.038 -6.407 1.00 0.00 O ATOM 515 CB ALA A 38 12.335 -3.070 -3.753 1.00 0.00 C ATOM 0 H ALA A 38 10.827 -4.994 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 38 10.437 -2.234 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.817 -2.096 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.487 -3.467 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.771 -3.752 -4.483 1.00 0.00 H new ATOM 521 N PRO A 39 10.254 -1.001 -5.406 1.00 0.00 N ATOM 522 CA PRO A 39 9.958 -0.305 -6.647 1.00 0.00 C ATOM 523 C PRO A 39 11.233 -0.063 -7.457 1.00 0.00 C ATOM 524 O PRO A 39 11.963 0.894 -7.202 1.00 0.00 O ATOM 525 CB PRO A 39 9.272 0.983 -6.220 1.00 0.00 C ATOM 526 CG PRO A 39 9.624 1.177 -4.754 1.00 0.00 C ATOM 527 CD PRO A 39 10.199 -0.131 -4.236 1.00 0.00 C ATOM 0 HA PRO A 39 9.315 -0.883 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.616 1.826 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.193 0.915 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.347 1.984 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.739 1.458 -4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.189 0.015 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.570 -0.558 -3.454 1.00 0.00 H new ATOM 535 N LYS A 40 11.461 -0.946 -8.418 1.00 0.00 N ATOM 536 CA LYS A 40 12.635 -0.840 -9.268 1.00 0.00 C ATOM 537 C LYS A 40 13.859 -0.533 -8.403 1.00 0.00 C ATOM 538 O LYS A 40 13.802 -0.642 -7.179 1.00 0.00 O ATOM 539 CB LYS A 40 12.399 0.180 -10.384 1.00 0.00 C ATOM 540 CG LYS A 40 12.056 -0.518 -11.701 1.00 0.00 C ATOM 541 CD LYS A 40 10.667 -1.155 -11.640 1.00 0.00 C ATOM 542 CE LYS A 40 9.859 -0.831 -12.898 1.00 0.00 C ATOM 543 NZ LYS A 40 10.575 -1.294 -14.107 1.00 0.00 N ATOM 0 H LYS A 40 10.853 -1.738 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 40 12.828 -1.788 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.588 0.852 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.290 0.794 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.094 0.202 -12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.802 -1.284 -11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.763 -2.236 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.136 -0.794 -10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.881 -1.309 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.686 0.243 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.900 -1.400 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.302 -0.598 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.027 -2.210 -13.913 1.00 0.00 H new ATOM 557 N LYS A 41 14.938 -0.157 -9.074 1.00 0.00 N ATOM 558 CA LYS A 41 16.174 0.167 -8.382 1.00 0.00 C ATOM 559 C LYS A 41 16.518 1.638 -8.621 1.00 0.00 C ATOM 560 O LYS A 41 16.868 2.357 -7.687 1.00 0.00 O ATOM 561 CB LYS A 41 17.287 -0.799 -8.794 1.00 0.00 C ATOM 562 CG LYS A 41 18.663 -0.241 -8.424 1.00 0.00 C ATOM 563 CD LYS A 41 18.883 -0.286 -6.910 1.00 0.00 C ATOM 564 CE LYS A 41 19.761 0.880 -6.450 1.00 0.00 C ATOM 565 NZ LYS A 41 19.412 1.277 -5.067 1.00 0.00 N ATOM 0 H LYS A 41 14.982 -0.070 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 41 16.053 0.039 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.137 -1.761 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.240 -0.977 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.440 -0.818 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.750 0.786 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.922 -0.247 -6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.352 -1.230 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.811 0.593 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.631 1.728 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.017 2.069 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.415 1.570 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.559 0.471 -4.427 1.00 0.00 H new ATOM 579 N GLU A 42 16.406 2.042 -9.878 1.00 0.00 N ATOM 580 CA GLU A 42 16.700 3.415 -10.252 1.00 0.00 C ATOM 581 C GLU A 42 15.555 4.338 -9.828 1.00 0.00 C ATOM 582 O GLU A 42 15.743 5.547 -9.701 1.00 0.00 O ATOM 583 CB GLU A 42 16.969 3.529 -11.754 1.00 0.00 C ATOM 584 CG GLU A 42 15.664 3.463 -12.551 1.00 0.00 C ATOM 585 CD GLU A 42 15.940 3.483 -14.056 1.00 0.00 C ATOM 586 OE1 GLU A 42 16.785 2.671 -14.489 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.299 4.311 -14.739 1.00 0.00 O ATOM 0 H GLU A 42 16.116 1.442 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 42 17.604 3.727 -9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.481 4.468 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.634 2.725 -12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.119 2.556 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.027 4.306 -12.283 1.00 0.00 H new ATOM 594 N LEU A 43 14.395 3.732 -9.622 1.00 0.00 N ATOM 595 CA LEU A 43 13.220 4.484 -9.215 1.00 0.00 C ATOM 596 C LEU A 43 13.265 4.713 -7.703 1.00 0.00 C ATOM 597 O LEU A 43 12.753 5.716 -7.208 1.00 0.00 O ATOM 598 CB LEU A 43 11.946 3.787 -9.694 1.00 0.00 C ATOM 599 CG LEU A 43 11.852 3.519 -11.198 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.545 2.804 -11.547 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.030 4.811 -11.997 1.00 0.00 C ATOM 0 H LEU A 43 14.244 2.729 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 43 13.214 5.467 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.857 2.836 -9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.090 4.395 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 43 12.668 2.853 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.504 2.626 -12.622 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.499 1.852 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.700 3.425 -11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.959 4.593 -13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.251 5.521 -11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.007 5.242 -11.779 1.00 0.00 H new ATOM 613 N GLN A 44 13.882 3.766 -7.011 1.00 0.00 N ATOM 614 CA GLN A 44 14.000 3.852 -5.566 1.00 0.00 C ATOM 615 C GLN A 44 14.357 5.280 -5.146 1.00 0.00 C ATOM 616 O GLN A 44 13.882 5.767 -4.121 1.00 0.00 O ATOM 617 CB GLN A 44 15.031 2.852 -5.039 1.00 0.00 C ATOM 618 CG GLN A 44 14.364 1.529 -4.654 1.00 0.00 C ATOM 619 CD GLN A 44 15.292 0.681 -3.783 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.538 0.973 -2.624 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.793 -0.384 -4.403 1.00 0.00 N ATOM 0 H GLN A 44 14.305 2.935 -7.425 1.00 0.00 H new ATOM 0 HA GLN A 44 13.036 3.595 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.791 2.673 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.541 3.272 -4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.436 1.728 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.099 0.976 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.547 -0.571 -5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.424 -1.013 -3.906 1.00 0.00 H new ATOM 630 N ASN A 45 15.192 5.910 -5.960 1.00 0.00 N ATOM 631 CA ASN A 45 15.619 7.271 -5.686 1.00 0.00 C ATOM 632 C ASN A 45 16.000 7.394 -4.209 1.00 0.00 C ATOM 633 O ASN A 45 15.625 8.360 -3.546 1.00 0.00 O ATOM 634 CB ASN A 45 14.493 8.269 -5.967 1.00 0.00 C ATOM 635 CG ASN A 45 14.377 8.556 -7.466 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.137 8.057 -8.280 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.387 9.385 -7.783 1.00 0.00 N ATOM 0 H ASN A 45 15.584 5.503 -6.809 1.00 0.00 H new ATOM 0 HA ASN A 45 16.469 7.494 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.549 7.872 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.682 9.198 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.227 9.639 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.788 9.767 -7.051 1.00 0.00 H new ATOM 644 N GLY A 46 16.742 6.403 -3.738 1.00 0.00 N ATOM 645 CA GLY A 46 17.179 6.388 -2.352 1.00 0.00 C ATOM 646 C GLY A 46 16.377 5.372 -1.536 1.00 0.00 C ATOM 647 O GLY A 46 15.269 4.999 -1.918 1.00 0.00 O ATOM 0 H GLY A 46 17.052 5.604 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.240 6.142 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.062 7.381 -1.919 1.00 0.00 H new ATOM 651 N VAL A 47 16.969 4.953 -0.427 1.00 0.00 N ATOM 652 CA VAL A 47 16.324 3.988 0.447 1.00 0.00 C ATOM 653 C VAL A 47 14.887 4.436 0.721 1.00 0.00 C ATOM 654 O VAL A 47 14.567 5.617 0.600 1.00 0.00 O ATOM 655 CB VAL A 47 17.148 3.806 1.724 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.332 3.093 2.805 1.00 0.00 C ATOM 657 CG2 VAL A 47 18.449 3.055 1.434 1.00 0.00 C ATOM 0 H VAL A 47 17.888 5.264 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 47 16.274 3.011 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 47 17.409 4.796 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.940 2.976 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.447 3.683 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.027 2.111 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 47 19.016 2.939 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.218 2.072 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 47 19.041 3.618 0.713 1.00 0.00 H new ATOM 667 N ILE A 48 14.059 3.468 1.086 1.00 0.00 N ATOM 668 CA ILE A 48 12.664 3.747 1.379 1.00 0.00 C ATOM 669 C ILE A 48 12.435 3.652 2.889 1.00 0.00 C ATOM 670 O ILE A 48 13.118 2.896 3.577 1.00 0.00 O ATOM 671 CB ILE A 48 11.751 2.833 0.560 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.303 2.629 -0.853 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.316 3.362 0.544 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.110 3.887 -1.703 1.00 0.00 C ATOM 0 H ILE A 48 14.328 2.489 1.185 1.00 0.00 H new ATOM 0 HA ILE A 48 12.409 4.764 1.081 1.00 0.00 H new ATOM 0 HB ILE A 48 11.728 1.855 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.363 2.380 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.800 1.785 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.688 2.693 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.935 3.412 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.300 4.358 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.511 3.716 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.047 4.119 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.634 4.723 -1.240 1.00 0.00 H new ATOM 686 N ARG A 49 11.471 4.430 3.359 1.00 0.00 N ATOM 687 CA ARG A 49 11.143 4.442 4.775 1.00 0.00 C ATOM 688 C ARG A 49 9.904 3.585 5.041 1.00 0.00 C ATOM 689 O ARG A 49 9.794 2.956 6.092 1.00 0.00 O ATOM 690 CB ARG A 49 10.884 5.868 5.267 1.00 0.00 C ATOM 691 CG ARG A 49 12.164 6.705 5.222 1.00 0.00 C ATOM 692 CD ARG A 49 12.709 6.951 6.630 1.00 0.00 C ATOM 693 NE ARG A 49 14.188 6.905 6.616 1.00 0.00 N ATOM 694 CZ ARG A 49 14.950 6.909 7.718 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.377 6.957 8.929 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.285 6.866 7.610 1.00 0.00 N ATOM 0 H ARG A 49 10.907 5.056 2.785 1.00 0.00 H new ATOM 0 HA ARG A 49 11.995 4.031 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.117 6.336 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.499 5.840 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.916 6.193 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.962 7.659 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.371 7.921 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.320 6.198 7.316 1.00 0.00 H new ATOM 0 HE ARG A 49 14.657 6.868 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.361 6.990 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.957 6.960 9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.721 6.830 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.865 6.869 8.449 1.00 0.00 H new ATOM 710 N GLY A 50 9.003 3.588 4.070 1.00 0.00 N ATOM 711 CA GLY A 50 7.776 2.818 4.186 1.00 0.00 C ATOM 712 C GLY A 50 6.858 3.064 2.987 1.00 0.00 C ATOM 713 O GLY A 50 7.169 3.880 2.120 1.00 0.00 O ATOM 0 H GLY A 50 9.098 4.111 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.014 1.756 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.258 3.089 5.106 1.00 0.00 H new ATOM 717 N TYR A 51 5.747 2.343 2.975 1.00 0.00 N ATOM 718 CA TYR A 51 4.782 2.473 1.896 1.00 0.00 C ATOM 719 C TYR A 51 3.363 2.630 2.445 1.00 0.00 C ATOM 720 O TYR A 51 3.021 2.040 3.469 1.00 0.00 O ATOM 721 CB TYR A 51 4.866 1.172 1.096 1.00 0.00 C ATOM 722 CG TYR A 51 6.211 0.956 0.398 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.361 0.807 1.147 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.274 0.911 -0.980 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.626 0.604 0.490 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.539 0.708 -1.637 1.00 0.00 C ATOM 727 CZ TYR A 51 8.653 0.564 -0.869 1.00 0.00 C ATOM 728 OH TYR A 51 9.848 0.372 -1.490 1.00 0.00 O ATOM 0 H TYR A 51 5.493 1.667 3.695 1.00 0.00 H new ATOM 0 HA TYR A 51 5.001 3.352 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.677 0.333 1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.074 1.167 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.312 0.843 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.374 1.028 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.533 0.486 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.602 0.671 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 51 10.092 -0.576 -1.444 1.00 0.00 H new ATOM 738 N GLN A 52 2.574 3.427 1.740 1.00 0.00 N ATOM 739 CA GLN A 52 1.199 3.668 2.144 1.00 0.00 C ATOM 740 C GLN A 52 0.258 2.693 1.433 1.00 0.00 C ATOM 741 O GLN A 52 0.257 2.610 0.205 1.00 0.00 O ATOM 742 CB GLN A 52 0.794 5.118 1.872 1.00 0.00 C ATOM 743 CG GLN A 52 1.172 6.022 3.047 1.00 0.00 C ATOM 744 CD GLN A 52 0.850 7.486 2.738 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.965 7.950 1.616 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.441 8.184 3.794 1.00 0.00 N ATOM 0 H GLN A 52 2.861 3.914 0.891 1.00 0.00 H new ATOM 0 HA GLN A 52 1.121 3.499 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.283 5.472 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.281 5.173 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.632 5.708 3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.235 5.918 3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.367 7.733 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.201 9.170 3.692 1.00 0.00 H new ATOM 755 N ILE A 53 -0.520 1.981 2.234 1.00 0.00 N ATOM 756 CA ILE A 53 -1.464 1.016 1.697 1.00 0.00 C ATOM 757 C ILE A 53 -2.882 1.579 1.806 1.00 0.00 C ATOM 758 O ILE A 53 -3.519 1.467 2.853 1.00 0.00 O ATOM 759 CB ILE A 53 -1.288 -0.343 2.379 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.103 -0.919 2.102 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.400 -1.310 1.970 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.139 -0.336 3.065 1.00 0.00 C ATOM 0 H ILE A 53 -0.516 2.053 3.251 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.270 0.843 0.638 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.368 -0.198 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.078 -2.004 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.393 -0.701 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.251 -2.268 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.366 -0.897 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.376 -1.456 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.119 -0.762 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.179 0.747 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.859 -0.577 4.090 1.00 0.00 H new ATOM 774 N GLY A 54 -3.334 2.174 0.712 1.00 0.00 N ATOM 775 CA GLY A 54 -4.665 2.755 0.673 1.00 0.00 C ATOM 776 C GLY A 54 -5.702 1.723 0.225 1.00 0.00 C ATOM 777 O GLY A 54 -5.542 1.089 -0.817 1.00 0.00 O ATOM 0 H GLY A 54 -2.802 2.266 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.928 3.135 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.675 3.605 -0.009 1.00 0.00 H new ATOM 781 N TYR A 55 -6.742 1.586 1.034 1.00 0.00 N ATOM 782 CA TYR A 55 -7.804 0.641 0.734 1.00 0.00 C ATOM 783 C TYR A 55 -9.173 1.221 1.097 1.00 0.00 C ATOM 784 O TYR A 55 -9.321 1.871 2.131 1.00 0.00 O ATOM 785 CB TYR A 55 -7.536 -0.586 1.608 1.00 0.00 C ATOM 786 CG TYR A 55 -7.619 -0.311 3.110 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.510 0.149 3.790 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.804 -0.521 3.786 1.00 0.00 C ATOM 789 CE1 TYR A 55 -6.588 0.408 5.204 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.883 -0.262 5.200 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.771 0.190 5.840 1.00 0.00 C ATOM 792 OH TYR A 55 -7.845 0.435 7.175 1.00 0.00 O ATOM 0 H TYR A 55 -6.872 2.114 1.897 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.816 0.403 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.254 -1.365 1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.545 -0.976 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.583 0.315 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.673 -0.880 3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.727 0.767 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.804 -0.423 5.740 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.750 0.236 7.494 1.00 0.00 H new ATOM 802 N ARG A 56 -10.138 0.966 0.226 1.00 0.00 N ATOM 803 CA ARG A 56 -11.489 1.455 0.442 1.00 0.00 C ATOM 804 C ARG A 56 -12.494 0.591 -0.323 1.00 0.00 C ATOM 805 O ARG A 56 -12.145 -0.040 -1.319 1.00 0.00 O ATOM 806 CB ARG A 56 -11.627 2.909 -0.012 1.00 0.00 C ATOM 807 CG ARG A 56 -10.983 3.119 -1.384 1.00 0.00 C ATOM 808 CD ARG A 56 -11.888 3.955 -2.293 1.00 0.00 C ATOM 809 NE ARG A 56 -12.089 5.299 -1.708 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.117 6.104 -2.009 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.045 5.704 -2.890 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.219 7.308 -1.430 1.00 0.00 N ATOM 0 H ARG A 56 -10.011 0.427 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.696 1.399 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.682 3.181 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.158 3.568 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.021 3.617 -1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.787 2.153 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.441 4.043 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.849 3.457 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.402 5.634 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.968 4.787 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.828 6.316 -3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.514 7.613 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.002 7.920 -1.660 1.00 0.00 H new ATOM 826 N GLU A 57 -13.723 0.592 0.172 1.00 0.00 N ATOM 827 CA GLU A 57 -14.782 -0.184 -0.452 1.00 0.00 C ATOM 828 C GLU A 57 -14.932 0.210 -1.922 1.00 0.00 C ATOM 829 O GLU A 57 -15.038 1.392 -2.245 1.00 0.00 O ATOM 830 CB GLU A 57 -16.103 -0.012 0.300 1.00 0.00 C ATOM 831 CG GLU A 57 -16.884 -1.327 0.345 1.00 0.00 C ATOM 832 CD GLU A 57 -18.392 -1.072 0.297 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.816 -0.067 0.907 1.00 0.00 O ATOM 834 OE2 GLU A 57 -19.085 -1.888 -0.347 1.00 0.00 O ATOM 0 H GLU A 57 -14.009 1.118 0.998 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.510 -1.238 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.905 0.333 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.705 0.756 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.591 -1.957 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.633 -1.872 1.255 1.00 0.00 H new ATOM 936 N TYR A 66 -9.726 6.699 0.585 1.00 0.00 N ATOM 937 CA TYR A 66 -8.868 5.530 0.669 1.00 0.00 C ATOM 938 C TYR A 66 -8.174 5.455 2.030 1.00 0.00 C ATOM 939 O TYR A 66 -7.370 6.322 2.370 1.00 0.00 O ATOM 940 CB TYR A 66 -7.808 5.705 -0.421 1.00 0.00 C ATOM 941 CG TYR A 66 -8.192 5.087 -1.767 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.906 5.828 -2.688 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.824 3.790 -2.061 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.267 5.246 -3.955 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.186 3.209 -3.328 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.889 3.966 -4.212 1.00 0.00 C ATOM 947 OH TYR A 66 -9.230 3.417 -5.409 1.00 0.00 O ATOM 0 HA TYR A 66 -9.451 4.617 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.619 6.769 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.874 5.258 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.194 6.843 -2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.265 3.211 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.825 5.814 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.905 2.195 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.538 2.781 -5.686 1.00 0.00 H new ATOM 957 N SER A 67 -8.511 4.411 2.773 1.00 0.00 N ATOM 958 CA SER A 67 -7.930 4.212 4.091 1.00 0.00 C ATOM 959 C SER A 67 -6.424 3.973 3.968 1.00 0.00 C ATOM 960 O SER A 67 -5.995 2.896 3.556 1.00 0.00 O ATOM 961 CB SER A 67 -8.597 3.041 4.815 1.00 0.00 C ATOM 962 OG SER A 67 -9.998 3.241 4.978 1.00 0.00 O ATOM 0 H SER A 67 -9.178 3.694 2.488 1.00 0.00 H new ATOM 0 HA SER A 67 -8.101 5.113 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.425 2.123 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.134 2.908 5.793 1.00 0.00 H new ATOM 0 HG SER A 67 -10.387 2.471 5.443 1.00 0.00 H new ATOM 968 N ILE A 68 -5.663 4.994 4.333 1.00 0.00 N ATOM 969 CA ILE A 68 -4.214 4.908 4.269 1.00 0.00 C ATOM 970 C ILE A 68 -3.688 4.267 5.555 1.00 0.00 C ATOM 971 O ILE A 68 -4.318 4.370 6.607 1.00 0.00 O ATOM 972 CB ILE A 68 -3.608 6.282 3.975 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.971 6.750 2.564 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.096 6.275 4.205 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.486 5.751 1.513 1.00 0.00 C ATOM 0 H ILE A 68 -6.023 5.885 4.674 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.907 4.266 3.443 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.036 7.001 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.051 6.871 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.526 7.727 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.691 7.263 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.887 6.016 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.631 5.540 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.757 6.108 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.403 5.650 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.952 4.782 1.690 1.00 0.00 H new ATOM 987 N VAL A 69 -2.540 3.619 5.429 1.00 0.00 N ATOM 988 CA VAL A 69 -1.922 2.961 6.568 1.00 0.00 C ATOM 989 C VAL A 69 -0.401 3.085 6.460 1.00 0.00 C ATOM 990 O VAL A 69 0.202 2.568 5.521 1.00 0.00 O ATOM 991 CB VAL A 69 -2.399 1.510 6.655 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.621 1.388 7.568 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.695 0.945 5.265 1.00 0.00 C ATOM 0 H VAL A 69 -2.021 3.535 4.555 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.222 3.444 7.498 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.594 0.919 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.940 0.347 7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.362 1.731 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.433 1.999 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.032 -0.088 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.474 1.540 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.790 0.979 4.658 1.00 0.00 H new ATOM 1003 N GLU A 70 0.175 3.773 7.434 1.00 0.00 N ATOM 1004 CA GLU A 70 1.614 3.972 7.460 1.00 0.00 C ATOM 1005 C GLU A 70 2.311 2.731 8.022 1.00 0.00 C ATOM 1006 O GLU A 70 1.827 2.119 8.972 1.00 0.00 O ATOM 1007 CB GLU A 70 1.981 5.219 8.268 1.00 0.00 C ATOM 1008 CG GLU A 70 3.428 5.148 8.758 1.00 0.00 C ATOM 1009 CD GLU A 70 4.040 6.546 8.864 1.00 0.00 C ATOM 1010 OE1 GLU A 70 4.057 7.239 7.824 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.478 6.891 9.983 1.00 0.00 O ATOM 0 H GLU A 70 -0.329 4.200 8.211 1.00 0.00 H new ATOM 0 HA GLU A 70 1.958 4.127 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.845 6.108 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.309 5.315 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.463 4.657 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.018 4.540 8.073 1.00 0.00 H new ATOM 1018 N MET A 71 3.437 2.396 7.409 1.00 0.00 N ATOM 1019 CA MET A 71 4.205 1.238 7.835 1.00 0.00 C ATOM 1020 C MET A 71 5.701 1.457 7.601 1.00 0.00 C ATOM 1021 O MET A 71 6.116 2.533 7.173 1.00 0.00 O ATOM 1022 CB MET A 71 3.742 0.004 7.060 1.00 0.00 C ATOM 1023 CG MET A 71 4.044 0.148 5.567 1.00 0.00 C ATOM 1024 SD MET A 71 5.699 -0.424 5.222 1.00 0.00 S ATOM 1025 CE MET A 71 5.330 -1.992 4.451 1.00 0.00 C ATOM 0 H MET A 71 3.836 2.906 6.621 1.00 0.00 H new ATOM 0 HA MET A 71 4.041 1.089 8.902 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.240 -0.883 7.451 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.672 -0.141 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.323 -0.426 4.985 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.940 1.190 5.265 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.661 -2.803 5.099 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.255 -2.074 4.288 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.848 -2.058 3.494 1.00 0.00 H new ATOM 1035 N LYS A 72 6.471 0.418 7.890 1.00 0.00 N ATOM 1036 CA LYS A 72 7.912 0.483 7.716 1.00 0.00 C ATOM 1037 C LYS A 72 8.352 -0.605 6.734 1.00 0.00 C ATOM 1038 O LYS A 72 7.740 -1.670 6.667 1.00 0.00 O ATOM 1039 CB LYS A 72 8.620 0.411 9.071 1.00 0.00 C ATOM 1040 CG LYS A 72 8.460 -0.975 9.699 1.00 0.00 C ATOM 1041 CD LYS A 72 9.824 -1.602 9.997 1.00 0.00 C ATOM 1042 CE LYS A 72 9.669 -2.898 10.796 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.892 -4.073 9.925 1.00 0.00 N ATOM 0 H LYS A 72 6.124 -0.474 8.244 1.00 0.00 H new ATOM 0 HA LYS A 72 8.200 1.441 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.679 0.637 8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.210 1.167 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.883 -0.896 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.898 -1.621 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.346 -1.807 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.438 -0.897 10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.380 -2.910 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.672 -2.946 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.126 -4.762 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.903 -3.770 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.803 -4.514 10.163 1.00 0.00 H new ATOM 1057 N ALA A 73 9.409 -0.300 5.996 1.00 0.00 N ATOM 1058 CA ALA A 73 9.938 -1.238 5.021 1.00 0.00 C ATOM 1059 C ALA A 73 10.756 -2.310 5.743 1.00 0.00 C ATOM 1060 O ALA A 73 11.824 -2.023 6.283 1.00 0.00 O ATOM 1061 CB ALA A 73 10.762 -0.480 3.978 1.00 0.00 C ATOM 0 H ALA A 73 9.914 0.584 6.054 1.00 0.00 H new ATOM 0 HA ALA A 73 9.128 -1.741 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.159 -1.184 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.128 0.249 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.587 0.035 4.470 1.00 0.00 H new ATOM 1067 N THR A 74 10.225 -3.524 5.730 1.00 0.00 N ATOM 1068 CA THR A 74 10.893 -4.640 6.377 1.00 0.00 C ATOM 1069 C THR A 74 12.184 -4.992 5.635 1.00 0.00 C ATOM 1070 O THR A 74 13.194 -5.315 6.258 1.00 0.00 O ATOM 1071 CB THR A 74 9.901 -5.803 6.456 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.629 -6.120 5.094 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.543 -5.377 7.018 1.00 0.00 C ATOM 0 H THR A 74 9.340 -3.759 5.281 1.00 0.00 H new ATOM 0 HA THR A 74 11.198 -4.384 7.392 1.00 0.00 H new ATOM 0 HB THR A 74 10.319 -6.595 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.995 -6.866 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.877 -6.239 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.674 -4.979 8.024 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.109 -4.609 6.378 1.00 0.00 H new ATOM 1081 N GLY A 75 12.109 -4.917 4.314 1.00 0.00 N ATOM 1082 CA GLY A 75 13.259 -5.224 3.481 1.00 0.00 C ATOM 1083 C GLY A 75 12.979 -4.886 2.015 1.00 0.00 C ATOM 1084 O GLY A 75 12.350 -3.871 1.717 1.00 0.00 O ATOM 0 H GLY A 75 11.270 -4.648 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.125 -4.661 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.508 -6.281 3.573 1.00 0.00 H new ATOM 1088 N ASP A 76 13.460 -5.755 1.138 1.00 0.00 N ATOM 1089 CA ASP A 76 13.270 -5.561 -0.289 1.00 0.00 C ATOM 1090 C ASP A 76 11.809 -5.840 -0.647 1.00 0.00 C ATOM 1091 O ASP A 76 11.325 -5.397 -1.688 1.00 0.00 O ATOM 1092 CB ASP A 76 14.146 -6.521 -1.097 1.00 0.00 C ATOM 1093 CG ASP A 76 15.466 -6.910 -0.428 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.426 -6.122 -0.565 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.484 -7.987 0.206 1.00 0.00 O ATOM 0 H ASP A 76 13.981 -6.595 1.388 1.00 0.00 H new ATOM 0 HA ASP A 76 13.544 -4.534 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.576 -7.428 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.366 -6.064 -2.062 1.00 0.00 H new ATOM 1100 N SER A 77 11.146 -6.573 0.236 1.00 0.00 N ATOM 1101 CA SER A 77 9.750 -6.916 0.026 1.00 0.00 C ATOM 1102 C SER A 77 8.933 -6.570 1.272 1.00 0.00 C ATOM 1103 O SER A 77 9.413 -6.718 2.395 1.00 0.00 O ATOM 1104 CB SER A 77 9.592 -8.398 -0.317 1.00 0.00 C ATOM 1105 OG SER A 77 10.077 -9.242 0.725 1.00 0.00 O ATOM 0 H SER A 77 11.550 -6.939 1.098 1.00 0.00 H new ATOM 0 HA SER A 77 9.379 -6.334 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.540 -8.617 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.130 -8.616 -1.240 1.00 0.00 H new ATOM 0 HG SER A 77 9.957 -10.180 0.469 1.00 0.00 H new ATOM 1111 N GLU A 78 7.712 -6.114 1.033 1.00 0.00 N ATOM 1112 CA GLU A 78 6.823 -5.746 2.122 1.00 0.00 C ATOM 1113 C GLU A 78 5.424 -6.315 1.881 1.00 0.00 C ATOM 1114 O GLU A 78 5.027 -6.533 0.738 1.00 0.00 O ATOM 1115 CB GLU A 78 6.775 -4.227 2.300 1.00 0.00 C ATOM 1116 CG GLU A 78 8.185 -3.640 2.394 1.00 0.00 C ATOM 1117 CD GLU A 78 8.690 -3.203 1.017 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.359 -3.911 0.041 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.395 -2.172 0.972 1.00 0.00 O ATOM 0 H GLU A 78 7.317 -5.991 0.101 1.00 0.00 H new ATOM 0 HA GLU A 78 7.213 -6.175 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.245 -3.776 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.214 -3.981 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.183 -2.787 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.864 -4.381 2.816 1.00 0.00 H new ATOM 1126 N VAL A 79 4.714 -6.539 2.978 1.00 0.00 N ATOM 1127 CA VAL A 79 3.367 -7.078 2.900 1.00 0.00 C ATOM 1128 C VAL A 79 2.503 -6.438 3.988 1.00 0.00 C ATOM 1129 O VAL A 79 3.008 -6.056 5.043 1.00 0.00 O ATOM 1130 CB VAL A 79 3.409 -8.605 2.990 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.025 -9.059 4.315 1.00 0.00 C ATOM 1132 CG2 VAL A 79 2.014 -9.204 2.800 1.00 0.00 C ATOM 0 H VAL A 79 5.047 -6.357 3.925 1.00 0.00 H new ATOM 0 HA VAL A 79 2.913 -6.835 1.940 1.00 0.00 H new ATOM 0 HB VAL A 79 4.043 -8.971 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.043 -10.148 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.043 -8.676 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.429 -8.676 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.072 -10.290 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.347 -8.827 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.627 -8.922 1.821 1.00 0.00 H new ATOM 1142 N TYR A 80 1.214 -6.341 3.695 1.00 0.00 N ATOM 1143 CA TYR A 80 0.275 -5.754 4.635 1.00 0.00 C ATOM 1144 C TYR A 80 -1.094 -6.430 4.537 1.00 0.00 C ATOM 1145 O TYR A 80 -1.529 -6.805 3.449 1.00 0.00 O ATOM 1146 CB TYR A 80 0.135 -4.285 4.230 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.314 -3.366 5.368 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.627 -3.385 5.793 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.594 -2.518 5.969 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.049 -2.520 6.864 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.172 -1.653 7.040 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.129 -1.697 7.435 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.527 -0.880 8.446 1.00 0.00 O ATOM 0 H TYR A 80 0.798 -6.659 2.820 1.00 0.00 H new ATOM 0 HA TYR A 80 0.631 -5.874 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.092 -3.931 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.582 -4.211 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.338 -4.048 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.621 -2.503 5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.073 -2.525 7.206 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.872 -0.985 7.519 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.813 -0.240 8.650 1.00 0.00 H new ATOM 1163 N THR A 81 -1.735 -6.566 5.688 1.00 0.00 N ATOM 1164 CA THR A 81 -3.046 -7.191 5.746 1.00 0.00 C ATOM 1165 C THR A 81 -4.096 -6.184 6.218 1.00 0.00 C ATOM 1166 O THR A 81 -4.190 -5.891 7.409 1.00 0.00 O ATOM 1167 CB THR A 81 -2.942 -8.426 6.642 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.305 -9.399 5.820 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.309 -9.039 6.955 1.00 0.00 C ATOM 0 H THR A 81 -1.371 -6.254 6.588 1.00 0.00 H new ATOM 0 HA THR A 81 -3.374 -7.516 4.758 1.00 0.00 H new ATOM 0 HB THR A 81 -2.443 -8.158 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.196 -10.232 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.178 -9.912 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.929 -8.304 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.795 -9.338 6.026 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.861 -5.681 5.260 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.901 -4.713 5.563 1.00 0.00 C ATOM 1179 C LEU A 82 -7.085 -5.430 6.214 1.00 0.00 C ATOM 1180 O LEU A 82 -7.833 -6.139 5.542 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.277 -3.920 4.309 1.00 0.00 C ATOM 1182 CG LEU A 82 -5.206 -2.968 3.772 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.579 -2.152 4.904 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.153 -3.728 2.963 1.00 0.00 C ATOM 0 H LEU A 82 -4.781 -5.926 4.273 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.539 -3.977 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.536 -4.626 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.175 -3.341 4.525 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.686 -2.262 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.821 -1.484 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.351 -1.564 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.117 -2.826 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.404 -3.028 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.672 -4.472 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.632 -4.226 2.120 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.220 -5.221 7.516 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.300 -5.838 8.265 1.00 0.00 C ATOM 1198 C ASP A 83 -9.519 -4.913 8.251 1.00 0.00 C ATOM 1199 O ASP A 83 -9.436 -3.779 7.783 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.898 -6.068 9.723 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.010 -4.979 10.329 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.569 -3.910 10.659 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.794 -5.239 10.448 1.00 0.00 O ATOM 0 H ASP A 83 -6.598 -4.632 8.071 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.529 -6.796 7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.803 -6.154 10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.376 -7.022 9.794 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.622 -5.432 8.770 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.856 -4.667 8.824 1.00 0.00 C ATOM 1210 C ASN A 84 -12.370 -4.438 7.401 1.00 0.00 C ATOM 1211 O ASN A 84 -12.508 -3.297 6.963 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.628 -3.299 9.470 1.00 0.00 C ATOM 1213 CG ASN A 84 -10.921 -3.441 10.819 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -9.779 -2.765 10.905 1.00 0.00 O flip ATOM 1215 ND2 ASN A 84 -11.382 -4.119 11.722 1.00 0.00 N flip ATOM 0 H ASN A 84 -10.687 -6.373 9.157 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.577 -5.230 9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.030 -2.674 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.584 -2.794 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.265 -4.613 11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.885 -4.192 12.610 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.641 -5.541 6.719 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.138 -5.475 5.355 1.00 0.00 C ATOM 1224 C LEU A 85 -14.505 -6.159 5.281 1.00 0.00 C ATOM 1225 O LEU A 85 -14.753 -7.136 5.986 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.108 -6.052 4.382 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.692 -5.482 4.488 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.760 -6.136 3.467 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.704 -3.957 4.360 1.00 0.00 C ATOM 0 H LEU A 85 -12.526 -6.486 7.086 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.283 -4.438 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.057 -7.130 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.468 -5.891 3.366 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.301 -5.719 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.760 -5.713 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.719 -7.210 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.136 -5.952 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.685 -3.577 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.122 -3.676 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.313 -3.530 5.157 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.355 -5.619 4.421 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.690 -6.165 4.245 1.00 0.00 C ATOM 1243 C LYS A 86 -16.585 -7.634 3.833 1.00 0.00 C ATOM 1244 O LYS A 86 -15.486 -8.172 3.713 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.495 -5.308 3.266 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.324 -4.258 4.009 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.696 -4.815 4.395 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.718 -4.573 3.283 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.644 -5.722 3.170 1.00 0.00 N ATOM 0 H LYS A 86 -15.145 -4.809 3.838 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.240 -6.136 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.819 -4.815 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.153 -5.945 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.793 -3.937 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.449 -3.377 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.616 -5.884 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.038 -4.344 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.282 -3.663 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.203 -4.419 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.331 -5.541 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.104 -6.583 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.149 -5.851 4.070 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.745 -8.243 3.629 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.797 -9.640 3.233 1.00 0.00 C ATOM 1265 C LYS A 87 -18.132 -9.731 1.743 1.00 0.00 C ATOM 1266 O LYS A 87 -18.950 -8.963 1.239 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.765 -10.414 4.129 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.346 -10.323 5.598 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.465 -10.811 6.519 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.467 -12.337 6.619 1.00 0.00 C ATOM 1271 NZ LYS A 87 -20.115 -12.774 7.875 1.00 0.00 N ATOM 0 H LYS A 87 -18.655 -7.794 3.731 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.824 -10.112 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.773 -10.017 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.795 -11.459 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.449 -10.920 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.091 -9.292 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.339 -10.378 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.428 -10.467 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.993 -12.762 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.444 -12.711 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.108 -13.813 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.596 -12.383 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.097 -12.433 7.895 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.483 -10.677 1.080 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.701 -10.878 -0.342 1.00 0.00 C ATOM 1287 C PHE A 88 -17.955 -9.547 -1.052 1.00 0.00 C ATOM 1288 O PHE A 88 -18.816 -9.459 -1.926 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.942 -11.762 -0.484 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.039 -12.488 -1.827 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.036 -13.315 -2.227 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.129 -12.307 -2.620 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.126 -13.989 -3.474 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.219 -12.981 -3.867 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.216 -13.808 -4.267 1.00 0.00 C ATOM 0 H PHE A 88 -16.806 -11.313 1.502 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.820 -11.337 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.943 -12.501 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.831 -11.146 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.171 -13.459 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.926 -11.651 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.329 -14.645 -3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.084 -12.837 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.285 -14.321 -5.215 1.00 0.00 H new ATOM 1305 N ALA A 89 -17.189 -8.543 -0.650 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.320 -7.220 -1.237 1.00 0.00 C ATOM 1307 C ALA A 89 -16.039 -6.876 -2.000 1.00 0.00 C ATOM 1308 O ALA A 89 -14.940 -7.203 -1.554 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.635 -6.203 -0.138 1.00 0.00 C ATOM 0 H ALA A 89 -16.476 -8.619 0.075 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.144 -7.196 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.733 -5.211 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.569 -6.476 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.828 -6.197 0.594 1.00 0.00 H new ATOM 1315 N GLN A 90 -16.224 -6.222 -3.137 1.00 0.00 N ATOM 1316 CA GLN A 90 -15.097 -5.830 -3.966 1.00 0.00 C ATOM 1317 C GLN A 90 -14.364 -4.642 -3.340 1.00 0.00 C ATOM 1318 O GLN A 90 -14.985 -3.637 -2.995 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.551 -5.505 -5.391 1.00 0.00 C ATOM 1320 CG GLN A 90 -14.365 -5.089 -6.263 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.554 -5.560 -7.706 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.562 -6.743 -8.005 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.704 -4.571 -8.583 1.00 0.00 N ATOM 0 H GLN A 90 -17.137 -5.954 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.404 -6.670 -4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.040 -6.375 -5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.289 -4.703 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.256 -4.005 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.445 -5.510 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.687 -3.602 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.836 -4.782 -9.572 1.00 0.00 H new ATOM 1332 N TYR A 91 -13.055 -4.795 -3.212 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.231 -3.748 -2.633 1.00 0.00 C ATOM 1334 C TYR A 91 -11.004 -3.470 -3.504 1.00 0.00 C ATOM 1335 O TYR A 91 -10.450 -4.385 -4.112 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.767 -4.278 -1.275 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.740 -3.988 -0.129 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.815 -2.720 0.408 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.541 -4.997 0.367 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.730 -2.447 1.486 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.456 -4.725 1.445 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.505 -3.463 1.952 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.369 -3.206 2.970 1.00 0.00 O ATOM 0 H TYR A 91 -12.544 -5.629 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.795 -2.819 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.618 -5.355 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.799 -3.838 -1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.187 -1.931 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.481 -5.990 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.799 -1.458 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.089 -5.505 1.842 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.475 -2.237 3.072 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.616 -2.204 -3.538 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.465 -1.794 -4.324 1.00 0.00 C ATOM 1355 C GLY A 92 -8.400 -1.142 -3.440 1.00 0.00 C ATOM 1356 O GLY A 92 -8.597 -0.037 -2.937 1.00 0.00 O ATOM 0 H GLY A 92 -11.079 -1.448 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.040 -2.660 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.779 -1.093 -5.097 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.295 -1.855 -3.277 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.199 -1.360 -2.462 1.00 0.00 C ATOM 1362 C VAL A 93 -5.097 -0.816 -3.374 1.00 0.00 C ATOM 1363 O VAL A 93 -4.991 -1.215 -4.532 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.707 -2.462 -1.522 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -4.534 -1.972 -0.670 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -6.846 -2.979 -0.640 1.00 0.00 C ATOM 0 H VAL A 93 -7.135 -2.771 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.534 -0.538 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.354 -3.292 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.203 -2.774 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.711 -1.674 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.851 -1.118 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.470 -3.762 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.243 -2.160 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.638 -3.385 -1.269 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.304 0.088 -2.816 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.214 0.691 -3.564 1.00 0.00 C ATOM 1378 C VAL A 94 -1.971 0.763 -2.676 1.00 0.00 C ATOM 1379 O VAL A 94 -2.075 1.004 -1.474 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.643 2.056 -4.105 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.842 1.920 -5.046 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.950 3.027 -2.963 1.00 0.00 C ATOM 0 H VAL A 94 -4.395 0.417 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.960 0.079 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.811 2.466 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.127 2.905 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.574 1.279 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.680 1.479 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.252 3.990 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.757 2.625 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.059 3.159 -2.349 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.822 0.552 -3.301 1.00 0.00 N ATOM 1393 CA VAL A 95 0.440 0.590 -2.582 1.00 0.00 C ATOM 1394 C VAL A 95 1.350 1.645 -3.215 1.00 0.00 C ATOM 1395 O VAL A 95 1.328 1.841 -4.429 1.00 0.00 O ATOM 1396 CB VAL A 95 1.069 -0.804 -2.555 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.255 -0.851 -1.589 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.029 -1.868 -2.200 1.00 0.00 C ATOM 0 H VAL A 95 -0.739 0.354 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 95 0.280 0.879 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 95 1.443 -1.023 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.684 -1.853 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.011 -0.132 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.916 -0.601 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.502 -2.850 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.389 -1.654 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.769 -1.859 -2.943 1.00 0.00 H new ATOM 1408 N GLN A 96 2.129 2.296 -2.364 1.00 0.00 N ATOM 1409 CA GLN A 96 3.045 3.325 -2.824 1.00 0.00 C ATOM 1410 C GLN A 96 4.235 3.442 -1.870 1.00 0.00 C ATOM 1411 O GLN A 96 4.084 3.276 -0.661 1.00 0.00 O ATOM 1412 CB GLN A 96 2.329 4.669 -2.975 1.00 0.00 C ATOM 1413 CG GLN A 96 1.377 4.917 -1.804 1.00 0.00 C ATOM 1414 CD GLN A 96 0.635 6.245 -1.972 1.00 0.00 C ATOM 1415 OE1 GLN A 96 1.430 7.282 -2.216 1.00 0.00 O flip ATOM 1416 NE2 GLN A 96 -0.580 6.322 -1.886 1.00 0.00 N flip ATOM 0 H GLN A 96 2.145 2.130 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 96 3.419 3.038 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.064 5.473 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.771 4.685 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.658 4.101 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.938 4.926 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.132 5.485 -1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.044 7.223 -2.004 1.00 0.00 H new ATOM 1425 N ALA A 97 5.392 3.728 -2.450 1.00 0.00 N ATOM 1426 CA ALA A 97 6.607 3.869 -1.666 1.00 0.00 C ATOM 1427 C ALA A 97 6.778 5.334 -1.257 1.00 0.00 C ATOM 1428 O ALA A 97 6.836 6.218 -2.111 1.00 0.00 O ATOM 1429 CB ALA A 97 7.798 3.347 -2.472 1.00 0.00 C ATOM 0 H ALA A 97 5.513 3.866 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 97 6.545 3.276 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.710 3.453 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.641 2.296 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.893 3.920 -3.394 1.00 0.00 H new ATOM 1435 N PHE A 98 6.853 5.545 0.049 1.00 0.00 N ATOM 1436 CA PHE A 98 7.016 6.887 0.581 1.00 0.00 C ATOM 1437 C PHE A 98 8.266 6.981 1.458 1.00 0.00 C ATOM 1438 O PHE A 98 8.467 6.158 2.349 1.00 0.00 O ATOM 1439 CB PHE A 98 5.783 7.181 1.439 1.00 0.00 C ATOM 1440 CG PHE A 98 5.863 6.614 2.858 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.658 7.212 3.785 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.139 5.513 3.192 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.732 6.686 5.102 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.213 4.987 4.509 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.008 5.585 5.436 1.00 0.00 C ATOM 0 H PHE A 98 6.804 4.809 0.754 1.00 0.00 H new ATOM 0 HA PHE A 98 7.123 7.600 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.643 8.260 1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.902 6.771 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.233 8.087 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.507 5.038 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.364 7.161 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.638 4.112 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.064 5.185 6.438 1.00 0.00 H new ATOM 1455 N ASN A 99 9.074 7.992 1.174 1.00 0.00 N ATOM 1456 CA ASN A 99 10.300 8.205 1.925 1.00 0.00 C ATOM 1457 C ASN A 99 10.300 9.621 2.503 1.00 0.00 C ATOM 1458 O ASN A 99 9.420 10.422 2.191 1.00 0.00 O ATOM 1459 CB ASN A 99 11.529 8.061 1.026 1.00 0.00 C ATOM 1460 CG ASN A 99 11.373 8.888 -0.252 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.922 10.022 -0.238 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.771 8.260 -1.355 1.00 0.00 N ATOM 0 H ASN A 99 8.904 8.673 0.434 1.00 0.00 H new ATOM 0 HA ASN A 99 10.344 7.458 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.419 8.384 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.675 7.012 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.708 8.728 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.139 7.311 -1.297 1.00 0.00 H new ATOM 1469 N ARG A 100 11.296 9.887 3.335 1.00 0.00 N ATOM 1470 CA ARG A 100 11.421 11.193 3.960 1.00 0.00 C ATOM 1471 C ARG A 100 11.550 12.281 2.893 1.00 0.00 C ATOM 1472 O ARG A 100 11.201 13.436 3.133 1.00 0.00 O ATOM 1473 CB ARG A 100 12.640 11.247 4.883 1.00 0.00 C ATOM 1474 CG ARG A 100 12.429 10.372 6.121 1.00 0.00 C ATOM 1475 CD ARG A 100 12.252 11.231 7.375 1.00 0.00 C ATOM 1476 NE ARG A 100 13.058 10.678 8.486 1.00 0.00 N ATOM 1477 CZ ARG A 100 12.681 9.637 9.241 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.509 9.031 9.010 1.00 0.00 N ATOM 1479 NH2 ARG A 100 13.477 9.202 10.228 1.00 0.00 N ATOM 0 H ARG A 100 12.024 9.220 3.591 1.00 0.00 H new ATOM 0 HA ARG A 100 10.522 11.365 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.525 10.911 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.824 12.277 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.551 9.742 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.282 9.706 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.557 12.257 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.200 11.262 7.659 1.00 0.00 H new ATOM 0 HE ARG A 100 13.956 11.116 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.903 9.362 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.223 8.239 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.369 9.663 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.190 8.410 10.803 1.00 0.00 H new ATOM 1493 N ALA A 101 12.053 11.875 1.736 1.00 0.00 N ATOM 1494 CA ALA A 101 12.232 12.801 0.631 1.00 0.00 C ATOM 1495 C ALA A 101 10.863 13.199 0.078 1.00 0.00 C ATOM 1496 O ALA A 101 10.717 14.265 -0.519 1.00 0.00 O ATOM 1497 CB ALA A 101 13.127 12.160 -0.432 1.00 0.00 C ATOM 0 H ALA A 101 12.342 10.917 1.540 1.00 0.00 H new ATOM 0 HA ALA A 101 12.728 13.711 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.262 12.854 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.097 11.923 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.660 11.245 -0.797 1.00 0.00 H new ATOM 1503 N GLY A 102 9.894 12.322 0.296 1.00 0.00 N ATOM 1504 CA GLY A 102 8.541 12.569 -0.173 1.00 0.00 C ATOM 1505 C GLY A 102 7.836 11.259 -0.529 1.00 0.00 C ATOM 1506 O GLY A 102 8.342 10.177 -0.232 1.00 0.00 O ATOM 0 H GLY A 102 10.019 11.439 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.975 13.093 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.568 13.220 -1.047 1.00 0.00 H new ATOM 1510 N THR A 103 6.680 11.398 -1.160 1.00 0.00 N ATOM 1511 CA THR A 103 5.900 10.239 -1.560 1.00 0.00 C ATOM 1512 C THR A 103 5.868 10.117 -3.085 1.00 0.00 C ATOM 1513 O THR A 103 6.046 11.107 -3.794 1.00 0.00 O ATOM 1514 CB THR A 103 4.511 10.364 -0.931 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.773 10.757 0.414 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.808 9.012 -0.793 1.00 0.00 C ATOM 0 H THR A 103 6.264 12.297 -1.405 1.00 0.00 H new ATOM 0 HA THR A 103 6.353 9.315 -1.201 1.00 0.00 H new ATOM 0 HB THR A 103 3.898 11.033 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.926 10.863 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.827 9.157 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.691 8.560 -1.778 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.405 8.354 -0.161 1.00 0.00 H new ATOM 1524 N GLY A 104 5.640 8.896 -3.544 1.00 0.00 N ATOM 1525 CA GLY A 104 5.582 8.632 -4.972 1.00 0.00 C ATOM 1526 C GLY A 104 4.190 8.151 -5.385 1.00 0.00 C ATOM 1527 O GLY A 104 3.268 8.135 -4.571 1.00 0.00 O ATOM 0 H GLY A 104 5.493 8.078 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.836 9.537 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.324 7.879 -5.237 1.00 0.00 H new ATOM 1531 N PRO A 105 4.078 7.760 -6.682 1.00 0.00 N ATOM 1532 CA PRO A 105 2.814 7.279 -7.213 1.00 0.00 C ATOM 1533 C PRO A 105 2.518 5.860 -6.724 1.00 0.00 C ATOM 1534 O PRO A 105 3.430 5.128 -6.344 1.00 0.00 O ATOM 1535 CB PRO A 105 2.962 7.368 -8.723 1.00 0.00 C ATOM 1536 CG PRO A 105 4.456 7.453 -8.991 1.00 0.00 C ATOM 1537 CD PRO A 105 5.149 7.765 -7.675 1.00 0.00 C ATOM 0 HA PRO A 105 1.963 7.870 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.527 6.495 -9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.444 8.243 -9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.824 6.513 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.668 8.228 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.909 7.020 -7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.651 8.732 -7.711 1.00 0.00 H new ATOM 1545 N SER A 106 1.239 5.514 -6.750 1.00 0.00 N ATOM 1546 CA SER A 106 0.812 4.196 -6.313 1.00 0.00 C ATOM 1547 C SER A 106 0.590 3.290 -7.526 1.00 0.00 C ATOM 1548 O SER A 106 0.650 3.747 -8.666 1.00 0.00 O ATOM 1549 CB SER A 106 -0.465 4.281 -5.474 1.00 0.00 C ATOM 1550 OG SER A 106 -0.485 5.441 -4.648 1.00 0.00 O ATOM 0 H SER A 106 0.485 6.124 -7.067 1.00 0.00 H new ATOM 0 HA SER A 106 1.598 3.771 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.332 4.291 -6.134 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.549 3.391 -4.851 1.00 0.00 H new ATOM 0 HG SER A 106 -1.337 5.484 -4.166 1.00 0.00 H new ATOM 1556 N SER A 107 0.339 2.021 -7.239 1.00 0.00 N ATOM 1557 CA SER A 107 0.108 1.047 -8.292 1.00 0.00 C ATOM 1558 C SER A 107 -1.351 1.106 -8.749 1.00 0.00 C ATOM 1559 O SER A 107 -2.211 1.609 -8.028 1.00 0.00 O ATOM 1560 CB SER A 107 0.461 -0.366 -7.822 1.00 0.00 C ATOM 1561 OG SER A 107 0.577 -0.443 -6.404 1.00 0.00 O ATOM 0 H SER A 107 0.291 1.645 -6.292 1.00 0.00 H new ATOM 0 HA SER A 107 0.755 1.293 -9.134 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.305 -1.063 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.400 -0.677 -8.280 1.00 0.00 H new ATOM 0 HG SER A 107 -0.316 -0.504 -6.006 1.00 0.00 H new ATOM 1567 N SER A 108 -1.584 0.584 -9.944 1.00 0.00 N ATOM 1568 CA SER A 108 -2.924 0.571 -10.506 1.00 0.00 C ATOM 1569 C SER A 108 -3.879 -0.165 -9.565 1.00 0.00 C ATOM 1570 O SER A 108 -3.730 -1.365 -9.337 1.00 0.00 O ATOM 1571 CB SER A 108 -2.935 -0.082 -11.890 1.00 0.00 C ATOM 1572 OG SER A 108 -1.645 -0.556 -12.266 1.00 0.00 O ATOM 0 H SER A 108 -0.868 0.167 -10.539 1.00 0.00 H new ATOM 0 HA SER A 108 -3.257 1.603 -10.618 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.642 -0.912 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.286 0.639 -12.628 1.00 0.00 H new ATOM 0 HG SER A 108 -1.694 -0.967 -13.154 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.839 0.584 -9.042 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.818 0.017 -8.130 1.00 0.00 C ATOM 1580 C GLU A 109 -6.205 -1.394 -8.577 1.00 0.00 C ATOM 1581 O GLU A 109 -6.668 -1.589 -9.700 1.00 0.00 O ATOM 1582 CB GLU A 109 -7.052 0.915 -8.023 1.00 0.00 C ATOM 1583 CG GLU A 109 -8.082 0.321 -7.060 1.00 0.00 C ATOM 1584 CD GLU A 109 -9.478 0.882 -7.335 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.557 2.101 -7.604 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.435 0.081 -7.270 1.00 0.00 O ATOM 0 H GLU A 109 -4.960 1.579 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.368 -0.047 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.756 1.906 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.501 1.041 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.096 -0.764 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.794 0.542 -6.032 1.00 0.00 H new ATOM 1593 N ILE A 110 -6.001 -2.343 -7.674 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.323 -3.730 -7.961 1.00 0.00 C ATOM 1595 C ILE A 110 -7.722 -4.046 -7.429 1.00 0.00 C ATOM 1596 O ILE A 110 -8.477 -3.139 -7.081 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.233 -4.656 -7.416 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.979 -3.865 -7.039 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -4.925 -5.782 -8.406 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.762 -4.786 -6.932 1.00 0.00 C ATOM 0 H ILE A 110 -5.617 -2.178 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.346 -3.901 -9.037 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.605 -5.122 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.792 -3.095 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.138 -3.355 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.147 -6.426 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.827 -6.369 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.581 -5.354 -9.348 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.884 -4.199 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.943 -5.540 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.591 -5.276 -7.891 1.00 0.00 H new ATOM 1612 N ASN A 111 -8.025 -5.335 -7.381 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.320 -5.781 -6.896 1.00 0.00 C ATOM 1614 C ASN A 111 -9.178 -7.178 -6.288 1.00 0.00 C ATOM 1615 O ASN A 111 -8.373 -7.983 -6.754 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.337 -5.863 -8.037 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.800 -6.713 -9.190 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -8.873 -6.340 -9.891 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.431 -7.873 -9.347 1.00 0.00 N ATOM 0 H ASN A 111 -7.396 -6.084 -7.670 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.668 -5.063 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.269 -6.291 -7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.567 -4.860 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.146 -8.512 -10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.199 -8.124 -8.725 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.973 -7.423 -5.257 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.946 -8.708 -4.580 1.00 0.00 C ATOM 1628 C ALA A 112 -11.137 -8.802 -3.624 1.00 0.00 C ATOM 1629 O ALA A 112 -11.037 -8.409 -2.462 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.606 -8.879 -3.861 1.00 0.00 C ATOM 0 H ALA A 112 -10.640 -6.753 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.036 -9.522 -5.299 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.586 -9.843 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.795 -8.835 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.481 -8.081 -3.129 1.00 0.00 H new ATOM 1636 N THR A 113 -12.236 -9.323 -4.148 1.00 0.00 N ATOM 1637 CA THR A 113 -13.445 -9.473 -3.355 1.00 0.00 C ATOM 1638 C THR A 113 -13.249 -10.546 -2.282 1.00 0.00 C ATOM 1639 O THR A 113 -13.189 -11.735 -2.591 1.00 0.00 O ATOM 1640 CB THR A 113 -14.602 -9.772 -4.310 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.732 -8.582 -5.082 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.943 -9.894 -3.584 1.00 0.00 C ATOM 0 H THR A 113 -12.315 -9.647 -5.112 1.00 0.00 H new ATOM 0 HA THR A 113 -13.680 -8.556 -2.814 1.00 0.00 H new ATOM 0 HB THR A 113 -14.397 -10.696 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.460 -8.690 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.730 -10.106 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.890 -10.704 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 113 -16.165 -8.959 -3.070 1.00 0.00 H new ATOM 1650 N THR A 114 -13.156 -10.087 -1.042 1.00 0.00 N ATOM 1651 CA THR A 114 -12.969 -10.993 0.078 1.00 0.00 C ATOM 1652 C THR A 114 -13.799 -12.263 -0.118 1.00 0.00 C ATOM 1653 O THR A 114 -14.765 -12.266 -0.879 1.00 0.00 O ATOM 1654 CB THR A 114 -13.313 -10.235 1.362 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.661 -9.815 1.166 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.531 -8.927 1.497 1.00 0.00 C ATOM 0 H THR A 114 -13.207 -9.100 -0.789 1.00 0.00 H new ATOM 0 HA THR A 114 -11.934 -11.327 0.147 1.00 0.00 H new ATOM 0 HB THR A 114 -13.109 -10.870 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.812 -8.969 1.637 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.813 -8.429 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.462 -9.142 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.760 -8.277 0.652 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.391 -13.312 0.582 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.085 -14.586 0.494 1.00 0.00 C ATOM 1666 C LEU A 115 -15.594 -14.346 0.571 1.00 0.00 C ATOM 1667 O LEU A 115 -16.035 -13.245 0.895 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.561 -15.555 1.555 1.00 0.00 C ATOM 1669 CG LEU A 115 -12.042 -15.736 1.608 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.425 -15.599 0.215 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.410 -14.770 2.612 1.00 0.00 C ATOM 0 H LEU A 115 -12.589 -13.306 1.212 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.887 -15.063 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.900 -15.211 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.017 -16.530 1.385 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.830 -16.747 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.345 -15.732 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.845 -16.358 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.645 -14.609 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.330 -14.919 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.630 -13.744 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.819 -14.958 3.605 1.00 0.00 H new