USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -73:sc= 1.14 USER MOD Set 1.2: A 97 THR OG1 : rot -175:sc= 1.49 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -170:sc=-0.00842 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 11:sc= 0.176 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.0412 USER MOD Single : A 27 THR OG1 : rot -60:sc= 1.27 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.242 K(o=-0.24,f=-7.5!) USER MOD Single : A 37 THR OG1 : rot 172:sc= -0.897 USER MOD Single : A 38 TYR OH : rot -140:sc= 0.174 USER MOD Single : A 39 TYR OH : rot 163:sc= -0.381 USER MOD Single : A 42 GLN : amide:sc= -6.43! C(o=-6.4!,f=-22!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.9!) USER MOD Single : A 60 THR OG1 : rot 111:sc= 0.305 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -170:sc= -1.04! USER MOD Single : A 82 ASN : amide:sc= -1.33 K(o=-1.3,f=-12!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 123:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.880 -15.024 2.326 1.00 0.00 N ATOM 60 CA GLY A 7 16.641 -13.863 1.490 1.00 0.00 C ATOM 61 C GLY A 7 16.855 -12.559 2.233 1.00 0.00 C ATOM 62 O GLY A 7 17.409 -12.530 3.332 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.305 -13.898 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.620 -13.897 1.109 1.00 0.00 H new ATOM 66 N PRO A 8 16.411 -11.448 1.627 1.00 0.00 N ATOM 67 CA PRO A 8 16.546 -10.115 2.221 1.00 0.00 C ATOM 68 C PRO A 8 15.648 -9.928 3.439 1.00 0.00 C ATOM 69 O PRO A 8 14.833 -10.793 3.761 1.00 0.00 O ATOM 70 CB PRO A 8 16.115 -9.178 1.090 1.00 0.00 C ATOM 71 CG PRO A 8 15.214 -10.002 0.237 1.00 0.00 C ATOM 72 CD PRO A 8 15.741 -11.408 0.317 1.00 0.00 C ATOM 0 HA PRO A 8 17.557 -9.931 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.599 -8.300 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.975 -8.818 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.185 -9.950 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.214 -9.643 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.938 -12.142 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.435 -11.624 -0.496 1.00 0.00 H new ATOM 80 N LYS A 9 15.800 -8.793 4.112 1.00 0.00 N ATOM 81 CA LYS A 9 15.002 -8.491 5.294 1.00 0.00 C ATOM 82 C LYS A 9 13.850 -7.553 4.947 1.00 0.00 C ATOM 83 O LYS A 9 13.903 -6.798 3.976 1.00 0.00 O ATOM 84 CB LYS A 9 15.878 -7.860 6.379 1.00 0.00 C ATOM 85 CG LYS A 9 16.683 -8.873 7.175 1.00 0.00 C ATOM 86 CD LYS A 9 16.968 -8.377 8.583 1.00 0.00 C ATOM 87 CE LYS A 9 17.784 -7.093 8.567 1.00 0.00 C ATOM 88 NZ LYS A 9 18.065 -6.598 9.943 1.00 0.00 N ATOM 0 H LYS A 9 16.469 -8.066 3.859 1.00 0.00 H new ATOM 0 HA LYS A 9 14.586 -9.426 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.561 -7.149 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.245 -7.294 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.137 -9.815 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.623 -9.075 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.028 -8.205 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.507 -9.145 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.725 -7.267 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.246 -6.327 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.623 -5.722 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.168 -6.408 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.601 -7.318 10.468 1.00 0.00 H new ATOM 102 N PRO A 10 12.783 -7.598 5.760 1.00 0.00 N ATOM 103 CA PRO A 10 11.600 -6.757 5.560 1.00 0.00 C ATOM 104 C PRO A 10 11.878 -5.286 5.846 1.00 0.00 C ATOM 105 O PRO A 10 12.696 -4.939 6.699 1.00 0.00 O ATOM 106 CB PRO A 10 10.592 -7.317 6.567 1.00 0.00 C ATOM 107 CG PRO A 10 11.428 -7.942 7.630 1.00 0.00 C ATOM 108 CD PRO A 10 12.652 -8.473 6.936 1.00 0.00 C ATOM 0 HA PRO A 10 11.252 -6.784 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.959 -6.529 6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.931 -8.048 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.698 -7.212 8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.886 -8.743 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.532 -8.420 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.530 -9.517 6.648 1.00 0.00 H new ATOM 116 N PRO A 11 11.183 -4.398 5.120 1.00 0.00 N ATOM 117 CA PRO A 11 11.338 -2.949 5.280 1.00 0.00 C ATOM 118 C PRO A 11 10.778 -2.449 6.607 1.00 0.00 C ATOM 119 O PRO A 11 9.879 -3.063 7.183 1.00 0.00 O ATOM 120 CB PRO A 11 10.535 -2.376 4.110 1.00 0.00 C ATOM 121 CG PRO A 11 9.526 -3.425 3.792 1.00 0.00 C ATOM 122 CD PRO A 11 10.191 -4.741 4.087 1.00 0.00 C ATOM 0 HA PRO A 11 12.386 -2.649 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.056 -1.436 4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.176 -2.171 3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.627 -3.298 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.219 -3.368 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.476 -5.481 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.664 -5.160 3.199 1.00 0.00 H new ATOM 130 N ILE A 12 11.314 -1.332 7.087 1.00 0.00 N ATOM 131 CA ILE A 12 10.866 -0.750 8.345 1.00 0.00 C ATOM 132 C ILE A 12 10.339 0.666 8.139 1.00 0.00 C ATOM 133 O ILE A 12 10.358 1.190 7.025 1.00 0.00 O ATOM 134 CB ILE A 12 12.001 -0.717 9.386 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.198 0.067 8.843 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.414 -2.132 9.764 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.187 0.476 9.912 1.00 0.00 C ATOM 0 H ILE A 12 12.059 -0.812 6.623 1.00 0.00 H new ATOM 0 HA ILE A 12 10.061 -1.384 8.717 1.00 0.00 H new ATOM 0 HB ILE A 12 11.638 -0.214 10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.712 -0.540 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.836 0.960 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.217 -2.092 10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.559 -2.660 10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.762 -2.659 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.009 1.027 9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.688 1.109 10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.577 -0.414 10.406 1.00 0.00 H new ATOM 149 N ASP A 13 9.872 1.281 9.220 1.00 0.00 N ATOM 150 CA ASP A 13 9.343 2.638 9.159 1.00 0.00 C ATOM 151 C ASP A 13 8.181 2.725 8.173 1.00 0.00 C ATOM 152 O ASP A 13 7.979 3.752 7.524 1.00 0.00 O ATOM 153 CB ASP A 13 10.444 3.620 8.756 1.00 0.00 C ATOM 154 CG ASP A 13 11.422 3.889 9.883 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.979 3.949 11.049 1.00 0.00 O ATOM 156 OD2 ASP A 13 12.629 4.039 9.599 1.00 0.00 O ATOM 0 H ASP A 13 9.849 0.861 10.149 1.00 0.00 H new ATOM 0 HA ASP A 13 8.976 2.903 10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.985 3.222 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.991 4.560 8.440 1.00 0.00 H new ATOM 161 N LEU A 14 7.422 1.641 8.066 1.00 0.00 N ATOM 162 CA LEU A 14 6.280 1.593 7.158 1.00 0.00 C ATOM 163 C LEU A 14 5.149 2.485 7.660 1.00 0.00 C ATOM 164 O LEU A 14 4.394 2.104 8.555 1.00 0.00 O ATOM 165 CB LEU A 14 5.783 0.154 7.008 1.00 0.00 C ATOM 166 CG LEU A 14 5.033 -0.165 5.714 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.953 -0.014 4.513 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.450 -1.569 5.768 1.00 0.00 C ATOM 0 H LEU A 14 7.576 0.783 8.596 1.00 0.00 H new ATOM 0 HA LEU A 14 6.604 1.962 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.640 -0.515 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.128 -0.073 7.849 1.00 0.00 H new ATOM 0 HG LEU A 14 4.212 0.544 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.402 -0.245 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.322 1.010 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.795 -0.699 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.920 -1.779 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.255 -2.292 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.757 -1.643 6.606 1.00 0.00 H new ATOM 180 N VAL A 15 5.035 3.673 7.075 1.00 0.00 N ATOM 181 CA VAL A 15 3.993 4.618 7.459 1.00 0.00 C ATOM 182 C VAL A 15 3.522 5.434 6.261 1.00 0.00 C ATOM 183 O VAL A 15 4.290 5.699 5.336 1.00 0.00 O ATOM 184 CB VAL A 15 4.485 5.578 8.559 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.322 6.036 9.426 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.561 4.914 9.404 1.00 0.00 C ATOM 0 H VAL A 15 5.652 4.004 6.333 1.00 0.00 H new ATOM 0 HA VAL A 15 3.159 4.031 7.845 1.00 0.00 H new ATOM 0 HB VAL A 15 4.921 6.456 8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.688 6.713 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.589 6.553 8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.855 5.170 9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.897 5.607 10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.154 4.018 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.404 4.641 8.770 1.00 0.00 H new ATOM 196 N VAL A 16 2.253 5.831 6.284 1.00 0.00 N ATOM 197 CA VAL A 16 1.679 6.618 5.200 1.00 0.00 C ATOM 198 C VAL A 16 1.527 8.081 5.604 1.00 0.00 C ATOM 199 O VAL A 16 1.044 8.389 6.695 1.00 0.00 O ATOM 200 CB VAL A 16 0.304 6.070 4.775 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.557 5.781 5.996 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.393 7.046 3.840 1.00 0.00 C ATOM 0 H VAL A 16 1.604 5.620 7.042 1.00 0.00 H new ATOM 0 HA VAL A 16 2.367 6.545 4.358 1.00 0.00 H new ATOM 0 HB VAL A 16 0.456 5.134 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.525 5.395 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.061 5.041 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.703 6.700 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.363 6.642 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.534 8.000 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.218 7.197 2.950 1.00 0.00 H new ATOM 212 N THR A 17 1.943 8.980 4.718 1.00 0.00 N ATOM 213 CA THR A 17 1.854 10.411 4.981 1.00 0.00 C ATOM 214 C THR A 17 0.657 11.028 4.267 1.00 0.00 C ATOM 215 O THR A 17 -0.036 11.879 4.823 1.00 0.00 O ATOM 216 CB THR A 17 3.135 11.144 4.541 1.00 0.00 C ATOM 217 OG1 THR A 17 3.103 12.502 4.993 1.00 0.00 O ATOM 218 CG2 THR A 17 3.284 11.111 3.027 1.00 0.00 C ATOM 0 H THR A 17 2.345 8.742 3.811 1.00 0.00 H new ATOM 0 HA THR A 17 1.730 10.527 6.058 1.00 0.00 H new ATOM 0 HB THR A 17 3.990 10.634 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.922 12.960 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.196 11.635 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.338 10.076 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.425 11.598 2.566 1.00 0.00 H new ATOM 226 N GLU A 18 0.421 10.593 3.033 1.00 0.00 N ATOM 227 CA GLU A 18 -0.692 11.105 2.244 1.00 0.00 C ATOM 228 C GLU A 18 -1.691 9.995 1.929 1.00 0.00 C ATOM 229 O GLU A 18 -1.309 8.852 1.677 1.00 0.00 O ATOM 230 CB GLU A 18 -0.181 11.730 0.944 1.00 0.00 C ATOM 231 CG GLU A 18 0.308 13.159 1.107 1.00 0.00 C ATOM 232 CD GLU A 18 1.008 13.681 -0.133 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.311 13.975 -1.127 1.00 0.00 O ATOM 234 OE2 GLU A 18 2.251 13.796 -0.110 1.00 0.00 O ATOM 0 H GLU A 18 0.985 9.888 2.559 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.198 11.871 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.632 11.119 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.980 11.711 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.539 13.804 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.991 13.211 1.954 1.00 0.00 H new ATOM 241 N THR A 19 -2.975 10.340 1.945 1.00 0.00 N ATOM 242 CA THR A 19 -4.030 9.374 1.664 1.00 0.00 C ATOM 243 C THR A 19 -5.136 9.999 0.822 1.00 0.00 C ATOM 244 O THR A 19 -5.879 10.860 1.293 1.00 0.00 O ATOM 245 CB THR A 19 -4.642 8.816 2.962 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.566 9.798 4.002 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.920 7.551 3.400 1.00 0.00 C ATOM 0 H THR A 19 -3.309 11.282 2.150 1.00 0.00 H new ATOM 0 HA THR A 19 -3.570 8.557 1.108 1.00 0.00 H new ATOM 0 HB THR A 19 -5.687 8.572 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.959 9.436 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.370 7.175 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.004 6.795 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.868 7.775 3.576 1.00 0.00 H new ATOM 255 N THR A 20 -5.242 9.559 -0.429 1.00 0.00 N ATOM 256 CA THR A 20 -6.258 10.075 -1.337 1.00 0.00 C ATOM 257 C THR A 20 -7.502 9.193 -1.329 1.00 0.00 C ATOM 258 O THR A 20 -7.510 8.121 -0.725 1.00 0.00 O ATOM 259 CB THR A 20 -5.724 10.176 -2.778 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.304 10.356 -2.763 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.379 11.333 -3.518 1.00 0.00 C ATOM 0 H THR A 20 -4.636 8.846 -0.836 1.00 0.00 H new ATOM 0 HA THR A 20 -6.521 11.072 -0.984 1.00 0.00 H new ATOM 0 HB THR A 20 -5.967 9.249 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.993 10.576 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.986 11.384 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.457 11.178 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.163 12.266 -2.998 1.00 0.00 H new ATOM 269 N ALA A 21 -8.551 9.651 -2.004 1.00 0.00 N ATOM 270 CA ALA A 21 -9.799 8.903 -2.077 1.00 0.00 C ATOM 271 C ALA A 21 -9.631 7.635 -2.907 1.00 0.00 C ATOM 272 O ALA A 21 -10.298 6.628 -2.665 1.00 0.00 O ATOM 273 CB ALA A 21 -10.904 9.773 -2.657 1.00 0.00 C ATOM 0 H ALA A 21 -8.561 10.537 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.077 8.610 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.830 9.200 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.050 10.647 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.624 10.096 -3.660 1.00 0.00 H new ATOM 279 N THR A 22 -8.736 7.690 -3.889 1.00 0.00 N ATOM 280 CA THR A 22 -8.482 6.547 -4.756 1.00 0.00 C ATOM 281 C THR A 22 -6.991 6.237 -4.836 1.00 0.00 C ATOM 282 O THR A 22 -6.554 5.454 -5.679 1.00 0.00 O ATOM 283 CB THR A 22 -9.021 6.790 -6.179 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.303 7.865 -6.797 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.506 7.117 -6.147 1.00 0.00 C ATOM 0 H THR A 22 -8.175 8.515 -4.103 1.00 0.00 H new ATOM 0 HA THR A 22 -9.004 5.696 -4.318 1.00 0.00 H new ATOM 0 HB THR A 22 -8.879 5.878 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.650 8.013 -7.702 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.864 7.284 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.052 6.285 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.668 8.016 -5.553 1.00 0.00 H new ATOM 293 N SER A 23 -6.216 6.856 -3.951 1.00 0.00 N ATOM 294 CA SER A 23 -4.772 6.648 -3.924 1.00 0.00 C ATOM 295 C SER A 23 -4.238 6.741 -2.498 1.00 0.00 C ATOM 296 O SER A 23 -4.948 7.155 -1.582 1.00 0.00 O ATOM 297 CB SER A 23 -4.071 7.678 -4.811 1.00 0.00 C ATOM 298 OG SER A 23 -4.184 7.332 -6.181 1.00 0.00 O ATOM 0 H SER A 23 -6.563 7.505 -3.244 1.00 0.00 H new ATOM 0 HA SER A 23 -4.565 5.649 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.507 8.663 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.019 7.744 -4.535 1.00 0.00 H new ATOM 0 HG SER A 23 -4.832 6.604 -6.282 1.00 0.00 H new ATOM 304 N VAL A 24 -2.980 6.351 -2.318 1.00 0.00 N ATOM 305 CA VAL A 24 -2.348 6.390 -1.005 1.00 0.00 C ATOM 306 C VAL A 24 -0.830 6.474 -1.127 1.00 0.00 C ATOM 307 O VAL A 24 -0.240 5.930 -2.061 1.00 0.00 O ATOM 308 CB VAL A 24 -2.716 5.151 -0.167 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.321 5.353 1.288 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.202 4.850 -0.288 1.00 0.00 C ATOM 0 H VAL A 24 -2.379 6.004 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.719 7.283 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.162 4.295 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.589 4.467 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.245 5.517 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.845 6.220 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.445 3.972 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.777 5.704 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.451 4.658 -1.332 1.00 0.00 H new ATOM 320 N THR A 25 -0.202 7.160 -0.177 1.00 0.00 N ATOM 321 CA THR A 25 1.247 7.317 -0.178 1.00 0.00 C ATOM 322 C THR A 25 1.876 6.623 1.024 1.00 0.00 C ATOM 323 O THR A 25 1.637 7.007 2.170 1.00 0.00 O ATOM 324 CB THR A 25 1.651 8.803 -0.169 1.00 0.00 C ATOM 325 OG1 THR A 25 1.067 9.477 -1.289 1.00 0.00 O ATOM 326 CG2 THR A 25 3.165 8.952 -0.214 1.00 0.00 C ATOM 0 H THR A 25 -0.675 7.616 0.603 1.00 0.00 H new ATOM 0 HA THR A 25 1.614 6.854 -1.094 1.00 0.00 H new ATOM 0 HB THR A 25 1.284 9.251 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.451 10.375 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.427 10.010 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.605 8.463 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.549 8.489 -1.123 1.00 0.00 H new ATOM 334 N LEU A 26 2.681 5.601 0.758 1.00 0.00 N ATOM 335 CA LEU A 26 3.346 4.853 1.819 1.00 0.00 C ATOM 336 C LEU A 26 4.848 5.117 1.813 1.00 0.00 C ATOM 337 O LEU A 26 5.448 5.332 0.759 1.00 0.00 O ATOM 338 CB LEU A 26 3.079 3.355 1.659 1.00 0.00 C ATOM 339 CG LEU A 26 3.275 2.501 2.912 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.103 2.676 3.866 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.446 1.036 2.538 1.00 0.00 C ATOM 0 H LEU A 26 2.889 5.271 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 26 2.941 5.188 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.054 3.224 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.733 2.971 0.876 1.00 0.00 H new ATOM 0 HG LEU A 26 4.181 2.834 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.260 2.061 4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.026 3.723 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.182 2.370 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.584 0.443 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.558 0.689 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.318 0.924 1.894 1.00 0.00 H new ATOM 353 N THR A 27 5.452 5.099 2.997 1.00 0.00 N ATOM 354 CA THR A 27 6.884 5.335 3.128 1.00 0.00 C ATOM 355 C THR A 27 7.541 4.268 3.996 1.00 0.00 C ATOM 356 O THR A 27 6.901 3.689 4.874 1.00 0.00 O ATOM 357 CB THR A 27 7.172 6.722 3.734 1.00 0.00 C ATOM 358 OG1 THR A 27 6.634 6.798 5.059 1.00 0.00 O ATOM 359 CG2 THR A 27 6.572 7.823 2.874 1.00 0.00 C ATOM 0 H THR A 27 4.971 4.923 3.879 1.00 0.00 H new ATOM 0 HA THR A 27 7.304 5.291 2.123 1.00 0.00 H new ATOM 0 HB THR A 27 8.252 6.861 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.665 6.652 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.788 8.793 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.004 7.780 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.493 7.686 2.809 1.00 0.00 H new ATOM 367 N TRP A 28 8.820 4.012 3.745 1.00 0.00 N ATOM 368 CA TRP A 28 9.563 3.014 4.506 1.00 0.00 C ATOM 369 C TRP A 28 11.064 3.171 4.290 1.00 0.00 C ATOM 370 O TRP A 28 11.502 4.008 3.500 1.00 0.00 O ATOM 371 CB TRP A 28 9.122 1.605 4.105 1.00 0.00 C ATOM 372 CG TRP A 28 9.476 1.252 2.692 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.624 0.652 2.260 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.676 1.480 1.526 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.586 0.492 0.895 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.402 0.991 0.421 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.418 2.046 1.307 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.909 1.055 -0.879 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.931 2.109 0.016 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.675 1.615 -1.064 1.00 0.00 C ATOM 0 H TRP A 28 9.364 4.481 3.021 1.00 0.00 H new ATOM 0 HA TRP A 28 9.349 3.167 5.564 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.582 0.882 4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.043 1.519 4.234 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.442 0.348 2.897 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.321 0.070 0.327 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.836 2.428 2.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.481 0.676 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.960 2.546 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.266 1.678 -2.062 1.00 0.00 H new ATOM 391 N ASP A 29 11.847 2.362 4.995 1.00 0.00 N ATOM 392 CA ASP A 29 13.299 2.411 4.879 1.00 0.00 C ATOM 393 C ASP A 29 13.844 1.102 4.316 1.00 0.00 C ATOM 394 O ASP A 29 13.220 0.050 4.450 1.00 0.00 O ATOM 395 CB ASP A 29 13.932 2.697 6.242 1.00 0.00 C ATOM 396 CG ASP A 29 15.389 3.101 6.130 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.687 4.042 5.364 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.231 2.477 6.809 1.00 0.00 O ATOM 0 H ASP A 29 11.500 1.664 5.653 1.00 0.00 H new ATOM 0 HA ASP A 29 13.556 3.217 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.375 3.491 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.851 1.810 6.870 1.00 0.00 H new ATOM 403 N SER A 30 15.011 1.175 3.683 1.00 0.00 N ATOM 404 CA SER A 30 15.637 -0.003 3.095 1.00 0.00 C ATOM 405 C SER A 30 15.630 -1.170 4.078 1.00 0.00 C ATOM 406 O SER A 30 15.213 -2.277 3.741 1.00 0.00 O ATOM 407 CB SER A 30 17.073 0.314 2.673 1.00 0.00 C ATOM 408 OG SER A 30 17.111 1.409 1.774 1.00 0.00 O ATOM 0 H SER A 30 15.542 2.038 3.564 1.00 0.00 H new ATOM 0 HA SER A 30 15.061 -0.289 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.672 0.542 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.519 -0.562 2.203 1.00 0.00 H new ATOM 0 HG SER A 30 18.040 1.592 1.521 1.00 0.00 H new ATOM 414 N GLY A 31 16.095 -0.912 5.297 1.00 0.00 N ATOM 415 CA GLY A 31 16.133 -1.950 6.311 1.00 0.00 C ATOM 416 C GLY A 31 17.332 -2.865 6.158 1.00 0.00 C ATOM 417 O GLY A 31 17.938 -3.275 7.147 1.00 0.00 O ATOM 0 H GLY A 31 16.446 -0.003 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.155 -1.489 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.219 -2.541 6.256 1.00 0.00 H new ATOM 421 N ASN A 32 17.673 -3.188 4.915 1.00 0.00 N ATOM 422 CA ASN A 32 18.806 -4.063 4.636 1.00 0.00 C ATOM 423 C ASN A 32 20.088 -3.255 4.461 1.00 0.00 C ATOM 424 O ASN A 32 20.046 -2.062 4.161 1.00 0.00 O ATOM 425 CB ASN A 32 18.538 -4.894 3.379 1.00 0.00 C ATOM 426 CG ASN A 32 17.601 -6.056 3.643 1.00 0.00 C ATOM 427 OD1 ASN A 32 18.041 -7.187 3.855 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.302 -5.783 3.632 1.00 0.00 N ATOM 0 H ASN A 32 17.181 -2.857 4.085 1.00 0.00 H new ATOM 0 HA ASN A 32 18.933 -4.733 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.110 -4.254 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.483 -5.274 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.623 -6.525 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.982 -4.831 3.452 1.00 0.00 H new ATOM 475 N VAL A 36 19.650 -4.034 -2.505 1.00 0.00 N ATOM 476 CA VAL A 36 18.504 -4.821 -2.944 1.00 0.00 C ATOM 477 C VAL A 36 18.093 -4.450 -4.364 1.00 0.00 C ATOM 478 O VAL A 36 18.334 -3.331 -4.820 1.00 0.00 O ATOM 479 CB VAL A 36 17.298 -4.627 -2.005 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.185 -5.603 -2.357 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.722 -4.790 -0.553 1.00 0.00 C ATOM 0 HA VAL A 36 18.810 -5.867 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 36 16.916 -3.615 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.342 -5.451 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.864 -5.433 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.551 -6.625 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.858 -4.650 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.130 -5.790 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.482 -4.048 -0.310 1.00 0.00 H new ATOM 491 N THR A 37 17.471 -5.395 -5.061 1.00 0.00 N ATOM 492 CA THR A 37 17.027 -5.169 -6.430 1.00 0.00 C ATOM 493 C THR A 37 15.792 -4.276 -6.467 1.00 0.00 C ATOM 494 O THR A 37 15.749 -3.289 -7.202 1.00 0.00 O ATOM 495 CB THR A 37 16.709 -6.496 -7.145 1.00 0.00 C ATOM 496 OG1 THR A 37 17.851 -7.358 -7.109 1.00 0.00 O ATOM 497 CG2 THR A 37 16.299 -6.248 -8.589 1.00 0.00 C ATOM 0 H THR A 37 17.263 -6.326 -4.699 1.00 0.00 H new ATOM 0 HA THR A 37 17.847 -4.673 -6.950 1.00 0.00 H new ATOM 0 HB THR A 37 15.878 -6.973 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.603 -8.243 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.079 -7.199 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.411 -5.616 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.112 -5.751 -9.118 1.00 0.00 H new ATOM 505 N TYR A 38 14.790 -4.627 -5.670 1.00 0.00 N ATOM 506 CA TYR A 38 13.552 -3.858 -5.613 1.00 0.00 C ATOM 507 C TYR A 38 12.698 -4.288 -4.424 1.00 0.00 C ATOM 508 O TYR A 38 13.003 -5.271 -3.749 1.00 0.00 O ATOM 509 CB TYR A 38 12.762 -4.027 -6.911 1.00 0.00 C ATOM 510 CG TYR A 38 12.001 -5.332 -6.991 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.638 -6.508 -7.365 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.645 -5.387 -6.692 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.946 -7.702 -7.441 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.946 -6.576 -6.763 1.00 0.00 C ATOM 515 CZ TYR A 38 10.601 -7.731 -7.138 1.00 0.00 C ATOM 516 OH TYR A 38 9.909 -8.918 -7.211 1.00 0.00 O ATOM 0 H TYR A 38 14.810 -5.440 -5.054 1.00 0.00 H new ATOM 0 HA TYR A 38 13.812 -2.807 -5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.059 -3.200 -7.009 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.449 -3.964 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.692 -6.489 -7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.129 -4.485 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.456 -8.607 -7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.893 -6.602 -6.526 1.00 0.00 H new ATOM 0 HH TYR A 38 9.023 -8.757 -7.599 1.00 0.00 H new ATOM 526 N TYR A 39 11.626 -3.545 -4.175 1.00 0.00 N ATOM 527 CA TYR A 39 10.727 -3.846 -3.068 1.00 0.00 C ATOM 528 C TYR A 39 9.285 -3.965 -3.553 1.00 0.00 C ATOM 529 O TYR A 39 8.705 -3.003 -4.053 1.00 0.00 O ATOM 530 CB TYR A 39 10.826 -2.763 -1.993 1.00 0.00 C ATOM 531 CG TYR A 39 12.175 -2.708 -1.311 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.328 -2.419 -2.031 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.297 -2.947 0.052 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.562 -2.369 -1.413 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.527 -2.897 0.679 1.00 0.00 C ATOM 536 CZ TYR A 39 14.656 -2.609 -0.058 1.00 0.00 C ATOM 537 OH TYR A 39 15.884 -2.560 0.563 1.00 0.00 O ATOM 0 H TYR A 39 11.358 -2.729 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 39 11.028 -4.802 -2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.617 -1.794 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.055 -2.937 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.258 -2.230 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.415 -3.176 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.448 -2.143 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.604 -3.082 1.740 1.00 0.00 H new ATOM 0 HH TYR A 39 15.758 -2.479 1.531 1.00 0.00 H new ATOM 547 N GLY A 40 8.713 -5.156 -3.401 1.00 0.00 N ATOM 548 CA GLY A 40 7.344 -5.381 -3.828 1.00 0.00 C ATOM 549 C GLY A 40 6.333 -4.778 -2.873 1.00 0.00 C ATOM 550 O GLY A 40 6.681 -4.373 -1.764 1.00 0.00 O ATOM 0 H GLY A 40 9.173 -5.968 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.201 -4.954 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.165 -6.453 -3.913 1.00 0.00 H new ATOM 554 N ILE A 41 5.077 -4.717 -3.305 1.00 0.00 N ATOM 555 CA ILE A 41 4.013 -4.159 -2.480 1.00 0.00 C ATOM 556 C ILE A 41 2.708 -4.922 -2.676 1.00 0.00 C ATOM 557 O ILE A 41 2.331 -5.246 -3.802 1.00 0.00 O ATOM 558 CB ILE A 41 3.777 -2.670 -2.798 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.069 -1.873 -2.604 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.667 -2.111 -1.921 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.925 -0.402 -2.925 1.00 0.00 C ATOM 0 H ILE A 41 4.772 -5.047 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 41 4.334 -4.255 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 41 3.470 -2.581 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.401 -1.980 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.848 -2.300 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.512 -1.058 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.745 -2.664 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.947 -2.210 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.879 0.100 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.623 -0.285 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.169 0.040 -2.276 1.00 0.00 H new ATOM 573 N GLN A 42 2.022 -5.204 -1.573 1.00 0.00 N ATOM 574 CA GLN A 42 0.758 -5.929 -1.624 1.00 0.00 C ATOM 575 C GLN A 42 -0.308 -5.222 -0.794 1.00 0.00 C ATOM 576 O GLN A 42 -0.036 -4.742 0.306 1.00 0.00 O ATOM 577 CB GLN A 42 0.946 -7.361 -1.121 1.00 0.00 C ATOM 578 CG GLN A 42 1.697 -8.255 -2.095 1.00 0.00 C ATOM 579 CD GLN A 42 3.200 -8.189 -1.907 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.797 -7.113 -1.957 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.821 -9.342 -1.689 1.00 0.00 N ATOM 0 H GLN A 42 2.320 -4.942 -0.634 1.00 0.00 H new ATOM 0 HA GLN A 42 0.426 -5.957 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.485 -7.337 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.032 -7.798 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.364 -9.285 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.449 -7.963 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.287 -10.210 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.832 -9.359 -1.555 1.00 0.00 H new ATOM 590 N TYR A 43 -1.523 -5.162 -1.329 1.00 0.00 N ATOM 591 CA TYR A 43 -2.630 -4.511 -0.639 1.00 0.00 C ATOM 592 C TYR A 43 -3.963 -5.140 -1.032 1.00 0.00 C ATOM 593 O TYR A 43 -4.117 -5.650 -2.142 1.00 0.00 O ATOM 594 CB TYR A 43 -2.647 -3.014 -0.956 1.00 0.00 C ATOM 595 CG TYR A 43 -2.762 -2.709 -2.432 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.632 -2.638 -3.237 1.00 0.00 C ATOM 597 CD2 TYR A 43 -4.001 -2.491 -3.022 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.732 -2.359 -4.586 1.00 0.00 C ATOM 599 CE2 TYR A 43 -4.111 -2.213 -4.371 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.974 -2.148 -5.148 1.00 0.00 C ATOM 601 OH TYR A 43 -3.079 -1.869 -6.492 1.00 0.00 O ATOM 0 H TYR A 43 -1.766 -5.556 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.486 -4.647 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.482 -2.550 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.735 -2.559 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.658 -2.804 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.893 -2.540 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.843 -2.306 -5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.082 -2.048 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.022 -1.748 -6.728 1.00 0.00 H new ATOM 611 N ARG A 44 -4.923 -5.099 -0.114 1.00 0.00 N ATOM 612 CA ARG A 44 -6.243 -5.666 -0.364 1.00 0.00 C ATOM 613 C ARG A 44 -7.283 -5.053 0.570 1.00 0.00 C ATOM 614 O ARG A 44 -6.996 -4.768 1.733 1.00 0.00 O ATOM 615 CB ARG A 44 -6.212 -7.185 -0.184 1.00 0.00 C ATOM 616 CG ARG A 44 -7.590 -7.810 -0.044 1.00 0.00 C ATOM 617 CD ARG A 44 -8.312 -7.873 -1.381 1.00 0.00 C ATOM 618 NE ARG A 44 -9.764 -7.848 -1.221 1.00 0.00 N ATOM 619 CZ ARG A 44 -10.616 -7.972 -2.232 1.00 0.00 C ATOM 620 NH1 ARG A 44 -10.165 -8.129 -3.469 1.00 0.00 N ATOM 621 NH2 ARG A 44 -11.924 -7.940 -2.007 1.00 0.00 N ATOM 0 H ARG A 44 -4.812 -4.679 0.809 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.522 -5.435 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.704 -7.633 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.622 -7.426 0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.495 -8.815 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.183 -7.231 0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.001 -7.032 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.021 -8.782 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.144 -7.729 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.161 -8.155 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.822 -8.224 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.275 -7.820 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.578 -8.035 -2.784 1.00 0.00 H new ATOM 635 N ALA A 45 -8.491 -4.854 0.053 1.00 0.00 N ATOM 636 CA ALA A 45 -9.573 -4.277 0.841 1.00 0.00 C ATOM 637 C ALA A 45 -9.818 -5.085 2.111 1.00 0.00 C ATOM 638 O ALA A 45 -10.315 -6.209 2.057 1.00 0.00 O ATOM 639 CB ALA A 45 -10.845 -4.197 0.010 1.00 0.00 C ATOM 0 H ALA A 45 -8.745 -5.084 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.279 -3.269 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.645 -3.764 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.669 -3.572 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.133 -5.198 -0.311 1.00 0.00 H new ATOM 732 N GLN A 53 -3.335 -7.904 -3.861 1.00 0.00 N ATOM 733 CA GLN A 53 -2.684 -7.334 -5.035 1.00 0.00 C ATOM 734 C GLN A 53 -1.167 -7.387 -4.896 1.00 0.00 C ATOM 735 O GLN A 53 -0.640 -7.508 -3.790 1.00 0.00 O ATOM 736 CB GLN A 53 -3.139 -5.889 -5.246 1.00 0.00 C ATOM 737 CG GLN A 53 -4.587 -5.766 -5.691 1.00 0.00 C ATOM 738 CD GLN A 53 -4.802 -6.235 -7.117 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.715 -7.428 -7.409 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.084 -5.296 -8.013 1.00 0.00 N ATOM 0 HA GLN A 53 -2.972 -7.928 -5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.005 -5.335 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.497 -5.420 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.219 -6.349 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.903 -4.727 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.146 -4.319 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.238 -5.552 -8.988 1.00 0.00 H new ATOM 749 N GLU A 54 -0.470 -7.297 -6.025 1.00 0.00 N ATOM 750 CA GLU A 54 0.988 -7.336 -6.027 1.00 0.00 C ATOM 751 C GLU A 54 1.558 -6.286 -6.976 1.00 0.00 C ATOM 752 O GLU A 54 1.053 -6.093 -8.082 1.00 0.00 O ATOM 753 CB GLU A 54 1.482 -8.726 -6.430 1.00 0.00 C ATOM 754 CG GLU A 54 2.978 -8.789 -6.688 1.00 0.00 C ATOM 755 CD GLU A 54 3.337 -8.459 -8.124 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.961 -9.237 -9.024 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.995 -7.420 -8.346 1.00 0.00 O ATOM 0 H GLU A 54 -0.891 -7.197 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 54 1.334 -7.114 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.227 -9.435 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.953 -9.044 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.487 -8.093 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.343 -9.787 -6.446 1.00 0.00 H new ATOM 764 N VAL A 55 2.614 -5.610 -6.536 1.00 0.00 N ATOM 765 CA VAL A 55 3.255 -4.580 -7.345 1.00 0.00 C ATOM 766 C VAL A 55 4.773 -4.647 -7.219 1.00 0.00 C ATOM 767 O VAL A 55 5.320 -4.541 -6.121 1.00 0.00 O ATOM 768 CB VAL A 55 2.779 -3.172 -6.941 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.453 -2.113 -7.800 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.265 -3.071 -7.047 1.00 0.00 C ATOM 0 H VAL A 55 3.044 -5.757 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 55 2.971 -4.769 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 55 3.061 -2.997 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.104 -1.125 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.533 -2.172 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.205 -2.282 -8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.946 -2.070 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.958 -3.267 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.804 -3.804 -6.385 1.00 0.00 H new ATOM 780 N ASP A 56 5.448 -4.822 -8.349 1.00 0.00 N ATOM 781 CA ASP A 56 6.904 -4.901 -8.366 1.00 0.00 C ATOM 782 C ASP A 56 7.495 -3.834 -9.283 1.00 0.00 C ATOM 783 O ASP A 56 6.828 -3.342 -10.191 1.00 0.00 O ATOM 784 CB ASP A 56 7.355 -6.290 -8.822 1.00 0.00 C ATOM 785 CG ASP A 56 6.796 -7.395 -7.947 1.00 0.00 C ATOM 786 OD1 ASP A 56 6.167 -7.076 -6.917 1.00 0.00 O ATOM 787 OD2 ASP A 56 6.988 -8.579 -8.294 1.00 0.00 O ATOM 0 H ASP A 56 5.010 -4.912 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 56 7.265 -4.725 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.039 -6.451 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.444 -6.337 -8.811 1.00 0.00 H new ATOM 792 N GLY A 57 8.754 -3.482 -9.037 1.00 0.00 N ATOM 793 CA GLY A 57 9.414 -2.475 -9.847 1.00 0.00 C ATOM 794 C GLY A 57 9.606 -1.168 -9.105 1.00 0.00 C ATOM 795 O GLY A 57 9.698 -0.104 -9.718 1.00 0.00 O ATOM 0 H GLY A 57 9.328 -3.876 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.385 -2.852 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.826 -2.295 -10.747 1.00 0.00 H new ATOM 799 N VAL A 58 9.666 -1.245 -7.779 1.00 0.00 N ATOM 800 CA VAL A 58 9.848 -0.059 -6.951 1.00 0.00 C ATOM 801 C VAL A 58 11.286 0.050 -6.455 1.00 0.00 C ATOM 802 O VAL A 58 11.622 -0.450 -5.382 1.00 0.00 O ATOM 803 CB VAL A 58 8.898 -0.068 -5.739 1.00 0.00 C ATOM 804 CG1 VAL A 58 9.013 1.233 -4.960 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.464 -0.305 -6.189 1.00 0.00 C ATOM 0 H VAL A 58 9.591 -2.117 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 58 9.616 0.802 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 58 9.187 -0.885 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.334 1.208 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.036 1.356 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.751 2.069 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.806 -0.308 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.161 0.489 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.397 -1.266 -6.699 1.00 0.00 H new ATOM 815 N ALA A 59 12.130 0.708 -7.243 1.00 0.00 N ATOM 816 CA ALA A 59 13.531 0.885 -6.883 1.00 0.00 C ATOM 817 C ALA A 59 13.719 2.109 -5.994 1.00 0.00 C ATOM 818 O ALA A 59 14.742 2.791 -6.064 1.00 0.00 O ATOM 819 CB ALA A 59 14.387 1.004 -8.135 1.00 0.00 C ATOM 0 H ALA A 59 11.868 1.127 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 59 13.849 0.007 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.431 1.136 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.285 0.098 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.059 1.863 -8.720 1.00 0.00 H new ATOM 825 N THR A 60 12.724 2.384 -5.156 1.00 0.00 N ATOM 826 CA THR A 60 12.779 3.528 -4.253 1.00 0.00 C ATOM 827 C THR A 60 12.203 3.177 -2.886 1.00 0.00 C ATOM 828 O THR A 60 11.495 2.181 -2.735 1.00 0.00 O ATOM 829 CB THR A 60 12.011 4.733 -4.827 1.00 0.00 C ATOM 830 OG1 THR A 60 10.790 4.294 -5.433 1.00 0.00 O ATOM 831 CG2 THR A 60 12.855 5.473 -5.854 1.00 0.00 C ATOM 0 H THR A 60 11.870 1.830 -5.084 1.00 0.00 H new ATOM 0 HA THR A 60 13.830 3.795 -4.144 1.00 0.00 H new ATOM 0 HB THR A 60 11.784 5.414 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.029 4.604 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.292 6.320 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.770 5.832 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.109 4.798 -6.671 1.00 0.00 H new ATOM 839 N THR A 61 12.510 4.003 -1.890 1.00 0.00 N ATOM 840 CA THR A 61 12.024 3.780 -0.535 1.00 0.00 C ATOM 841 C THR A 61 10.672 4.451 -0.318 1.00 0.00 C ATOM 842 O THR A 61 10.242 4.648 0.818 1.00 0.00 O ATOM 843 CB THR A 61 13.020 4.308 0.514 1.00 0.00 C ATOM 844 OG1 THR A 61 13.228 5.712 0.329 1.00 0.00 O ATOM 845 CG2 THR A 61 14.351 3.576 0.413 1.00 0.00 C ATOM 0 H THR A 61 13.093 4.833 -1.997 1.00 0.00 H new ATOM 0 HA THR A 61 11.916 2.702 -0.412 1.00 0.00 H new ATOM 0 HB THR A 61 12.599 4.131 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.861 6.040 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.039 3.966 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.194 2.511 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.775 3.727 -0.580 1.00 0.00 H new ATOM 853 N ARG A 62 10.007 4.799 -1.415 1.00 0.00 N ATOM 854 CA ARG A 62 8.704 5.449 -1.344 1.00 0.00 C ATOM 855 C ARG A 62 7.903 5.200 -2.619 1.00 0.00 C ATOM 856 O ARG A 62 8.433 5.293 -3.726 1.00 0.00 O ATOM 857 CB ARG A 62 8.872 6.953 -1.120 1.00 0.00 C ATOM 858 CG ARG A 62 7.611 7.639 -0.623 1.00 0.00 C ATOM 859 CD ARG A 62 7.879 9.084 -0.233 1.00 0.00 C ATOM 860 NE ARG A 62 8.948 9.194 0.757 1.00 0.00 N ATOM 861 CZ ARG A 62 9.578 10.330 1.035 1.00 0.00 C ATOM 862 NH1 ARG A 62 9.248 11.447 0.401 1.00 0.00 N ATOM 863 NH2 ARG A 62 10.540 10.351 1.948 1.00 0.00 N ATOM 0 H ARG A 62 10.349 4.642 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 62 8.158 5.022 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.673 7.117 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.184 7.418 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.848 7.607 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.215 7.097 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.147 9.656 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.967 9.527 0.167 1.00 0.00 H new ATOM 0 HE ARG A 62 9.226 8.353 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.509 11.435 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.733 12.318 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.797 9.494 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.023 11.224 2.160 1.00 0.00 H new ATOM 877 N TYR A 63 6.623 4.883 -2.454 1.00 0.00 N ATOM 878 CA TYR A 63 5.749 4.618 -3.590 1.00 0.00 C ATOM 879 C TYR A 63 4.288 4.859 -3.222 1.00 0.00 C ATOM 880 O TYR A 63 3.869 4.596 -2.095 1.00 0.00 O ATOM 881 CB TYR A 63 5.933 3.180 -4.077 1.00 0.00 C ATOM 882 CG TYR A 63 4.957 2.777 -5.160 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.729 2.211 -4.840 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.263 2.964 -6.502 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.835 1.841 -5.826 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.374 2.599 -7.495 1.00 0.00 C ATOM 887 CZ TYR A 63 3.162 2.038 -7.152 1.00 0.00 C ATOM 888 OH TYR A 63 2.273 1.672 -8.137 1.00 0.00 O ATOM 0 H TYR A 63 6.168 4.803 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 63 6.020 5.304 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.949 3.060 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.824 2.502 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.469 2.058 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.212 3.402 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.886 1.400 -5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.627 2.752 -8.534 1.00 0.00 H new ATOM 0 HH TYR A 63 2.655 1.879 -9.016 1.00 0.00 H new ATOM 898 N SER A 64 3.518 5.362 -4.182 1.00 0.00 N ATOM 899 CA SER A 64 2.105 5.642 -3.960 1.00 0.00 C ATOM 900 C SER A 64 1.228 4.630 -4.691 1.00 0.00 C ATOM 901 O SER A 64 1.481 4.297 -5.849 1.00 0.00 O ATOM 902 CB SER A 64 1.765 7.059 -4.426 1.00 0.00 C ATOM 903 OG SER A 64 1.979 7.203 -5.819 1.00 0.00 O ATOM 0 H SER A 64 3.849 5.584 -5.121 1.00 0.00 H new ATOM 0 HA SER A 64 1.908 5.561 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.725 7.283 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.377 7.780 -3.884 1.00 0.00 H new ATOM 0 HG SER A 64 1.753 8.117 -6.092 1.00 0.00 H new ATOM 909 N ILE A 65 0.198 4.146 -4.007 1.00 0.00 N ATOM 910 CA ILE A 65 -0.717 3.173 -4.591 1.00 0.00 C ATOM 911 C ILE A 65 -1.961 3.855 -5.151 1.00 0.00 C ATOM 912 O ILE A 65 -2.449 4.835 -4.591 1.00 0.00 O ATOM 913 CB ILE A 65 -1.147 2.114 -3.559 1.00 0.00 C ATOM 914 CG1 ILE A 65 0.081 1.411 -2.977 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.089 1.104 -4.198 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.637 2.088 -1.744 1.00 0.00 C ATOM 0 H ILE A 65 -0.024 4.411 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.179 2.681 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.677 2.612 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.182 0.383 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.859 1.366 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.384 0.362 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.975 1.618 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.583 0.608 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.506 1.535 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.932 3.108 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.126 2.109 -0.965 1.00 0.00 H new ATOM 928 N GLY A 66 -2.470 3.327 -6.260 1.00 0.00 N ATOM 929 CA GLY A 66 -3.654 3.897 -6.877 1.00 0.00 C ATOM 930 C GLY A 66 -4.613 2.836 -7.380 1.00 0.00 C ATOM 931 O GLY A 66 -4.203 1.721 -7.700 1.00 0.00 O ATOM 0 H GLY A 66 -2.084 2.515 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.166 4.532 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.355 4.536 -7.708 1.00 0.00 H new ATOM 935 N GLY A 67 -5.895 3.183 -7.450 1.00 0.00 N ATOM 936 CA GLY A 67 -6.894 2.241 -7.917 1.00 0.00 C ATOM 937 C GLY A 67 -7.742 1.688 -6.788 1.00 0.00 C ATOM 938 O GLY A 67 -8.261 0.574 -6.880 1.00 0.00 O ATOM 0 H GLY A 67 -6.259 4.100 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.540 2.732 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.400 1.418 -8.433 1.00 0.00 H new ATOM 942 N LEU A 68 -7.882 2.465 -5.720 1.00 0.00 N ATOM 943 CA LEU A 68 -8.671 2.046 -4.568 1.00 0.00 C ATOM 944 C LEU A 68 -9.978 2.829 -4.488 1.00 0.00 C ATOM 945 O LEU A 68 -10.157 3.829 -5.184 1.00 0.00 O ATOM 946 CB LEU A 68 -7.870 2.237 -3.279 1.00 0.00 C ATOM 947 CG LEU A 68 -6.469 1.623 -3.262 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.673 2.142 -2.075 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.553 0.104 -3.228 1.00 0.00 C ATOM 0 H LEU A 68 -7.459 3.389 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.909 0.989 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.779 3.306 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.441 1.812 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.953 1.918 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.679 1.694 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.583 3.226 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.186 1.878 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.547 -0.316 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.088 -0.211 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.084 -0.251 -4.111 1.00 0.00 H new ATOM 961 N SER A 69 -10.886 2.370 -3.634 1.00 0.00 N ATOM 962 CA SER A 69 -12.177 3.027 -3.464 1.00 0.00 C ATOM 963 C SER A 69 -12.125 4.040 -2.325 1.00 0.00 C ATOM 964 O SER A 69 -11.372 3.892 -1.362 1.00 0.00 O ATOM 965 CB SER A 69 -13.269 1.990 -3.191 1.00 0.00 C ATOM 966 OG SER A 69 -13.641 1.315 -4.380 1.00 0.00 O ATOM 0 H SER A 69 -10.752 1.546 -3.049 1.00 0.00 H new ATOM 0 HA SER A 69 -12.412 3.557 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.914 1.268 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.141 2.481 -2.760 1.00 0.00 H new ATOM 0 HG SER A 69 -14.339 0.657 -4.178 1.00 0.00 H new ATOM 972 N PRO A 70 -12.945 5.096 -2.435 1.00 0.00 N ATOM 973 CA PRO A 70 -13.013 6.155 -1.424 1.00 0.00 C ATOM 974 C PRO A 70 -13.647 5.675 -0.123 1.00 0.00 C ATOM 975 O PRO A 70 -14.547 4.835 -0.132 1.00 0.00 O ATOM 976 CB PRO A 70 -13.891 7.221 -2.085 1.00 0.00 C ATOM 977 CG PRO A 70 -14.727 6.470 -3.063 1.00 0.00 C ATOM 978 CD PRO A 70 -13.870 5.336 -3.556 1.00 0.00 C ATOM 0 HA PRO A 70 -12.023 6.513 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.509 7.737 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.286 7.980 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.636 6.096 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.036 7.113 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.465 4.451 -3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.336 5.603 -4.468 1.00 0.00 H new ATOM 986 N PHE A 71 -13.171 6.213 0.995 1.00 0.00 N ATOM 987 CA PHE A 71 -13.691 5.839 2.305 1.00 0.00 C ATOM 988 C PHE A 71 -13.625 4.327 2.505 1.00 0.00 C ATOM 989 O PHE A 71 -14.595 3.704 2.937 1.00 0.00 O ATOM 990 CB PHE A 71 -15.134 6.322 2.461 1.00 0.00 C ATOM 991 CG PHE A 71 -15.520 6.609 3.885 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.782 7.497 4.651 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.620 5.991 4.456 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.134 7.761 5.961 1.00 0.00 C ATOM 995 CE2 PHE A 71 -16.977 6.251 5.766 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.233 7.139 6.519 1.00 0.00 C ATOM 0 H PHE A 71 -12.426 6.909 1.020 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.071 6.316 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.273 7.225 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.807 5.567 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.922 7.988 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.206 5.298 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.549 8.454 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.836 5.761 6.200 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.511 7.346 7.542 1.00 0.00 H new ATOM 1006 N SER A 72 -12.474 3.744 2.186 1.00 0.00 N ATOM 1007 CA SER A 72 -12.282 2.305 2.326 1.00 0.00 C ATOM 1008 C SER A 72 -10.997 2.001 3.090 1.00 0.00 C ATOM 1009 O SER A 72 -10.070 2.810 3.114 1.00 0.00 O ATOM 1010 CB SER A 72 -12.240 1.639 0.950 1.00 0.00 C ATOM 1011 OG SER A 72 -11.090 2.036 0.225 1.00 0.00 O ATOM 0 H SER A 72 -11.661 4.245 1.829 1.00 0.00 H new ATOM 0 HA SER A 72 -13.124 1.904 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.243 0.555 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.136 1.902 0.388 1.00 0.00 H new ATOM 0 HG SER A 72 -11.198 2.962 -0.078 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.950 0.828 3.714 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.779 0.416 4.480 1.00 0.00 C ATOM 1019 C GLU A 73 -8.987 -0.651 3.730 1.00 0.00 C ATOM 1020 O GLU A 73 -9.558 -1.597 3.188 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.200 -0.114 5.852 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.146 0.078 6.928 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.742 0.164 8.320 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.834 -0.402 8.534 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.115 0.797 9.195 1.00 0.00 O ATOM 0 H GLU A 73 -11.709 0.146 3.704 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.140 1.288 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.117 0.388 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.431 -1.176 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.439 -0.750 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.583 0.988 6.721 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.668 -0.491 3.705 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.797 -1.438 3.020 1.00 0.00 C ATOM 1034 C TYR A 74 -5.516 -1.674 3.816 1.00 0.00 C ATOM 1035 O TYR A 74 -5.041 -0.788 4.526 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.453 -0.928 1.620 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.523 -1.216 0.591 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.719 -0.510 0.587 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.337 -2.196 -0.377 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.700 -0.771 -0.351 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.311 -2.462 -1.319 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.491 -1.747 -1.302 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.464 -2.011 -2.238 1.00 0.00 O ATOM 0 H TYR A 74 -7.179 0.285 4.151 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.330 -2.385 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.285 0.148 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.517 -1.384 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.885 0.256 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.415 -2.759 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.625 -0.214 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.150 -3.226 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.232 -2.826 -2.731 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.963 -2.876 3.691 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.736 -3.229 4.395 1.00 0.00 C ATOM 1055 C ALA A 75 -2.546 -3.261 3.443 1.00 0.00 C ATOM 1056 O ALA A 75 -2.458 -4.128 2.573 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.895 -4.573 5.090 1.00 0.00 C ATOM 0 H ALA A 75 -5.345 -3.622 3.109 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.545 -2.463 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.972 -4.824 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.713 -4.517 5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.114 -5.342 4.349 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.633 -2.311 3.612 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.448 -2.230 2.765 1.00 0.00 C ATOM 1065 C PHE A 76 0.743 -2.914 3.430 1.00 0.00 C ATOM 1066 O PHE A 76 0.884 -2.888 4.653 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.109 -0.768 2.465 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.227 -0.018 1.799 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.385 -0.061 0.424 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.120 0.731 2.549 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.413 0.628 -0.192 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.150 1.421 1.939 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.296 1.371 0.567 1.00 0.00 C ATOM 0 H PHE A 76 -1.690 -1.586 4.327 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.664 -2.745 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.151 -0.265 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.773 -0.732 1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.697 -0.640 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.010 0.776 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.526 0.585 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.841 1.999 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.099 1.912 0.088 1.00 0.00 H new ATOM 1083 N ARG A 77 1.597 -3.525 2.616 1.00 0.00 N ATOM 1084 CA ARG A 77 2.775 -4.217 3.124 1.00 0.00 C ATOM 1085 C ARG A 77 3.876 -4.264 2.068 1.00 0.00 C ATOM 1086 O ARG A 77 3.641 -4.666 0.928 1.00 0.00 O ATOM 1087 CB ARG A 77 2.410 -5.638 3.558 1.00 0.00 C ATOM 1088 CG ARG A 77 1.871 -6.501 2.429 1.00 0.00 C ATOM 1089 CD ARG A 77 1.491 -7.889 2.921 1.00 0.00 C ATOM 1090 NE ARG A 77 1.604 -8.893 1.867 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.927 -10.036 1.865 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.093 -10.318 2.857 1.00 0.00 N ATOM 1093 NH2 ARG A 77 1.082 -10.899 0.870 1.00 0.00 N ATOM 0 H ARG A 77 1.495 -3.555 1.602 1.00 0.00 H new ATOM 0 HA ARG A 77 3.146 -3.664 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.293 -6.118 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.665 -5.586 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.999 -6.020 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.622 -6.585 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.134 -8.166 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.468 -7.873 3.298 1.00 0.00 H new ATOM 0 HE ARG A 77 2.237 -8.707 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.030 -9.657 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.426 -11.196 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.722 -10.686 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.561 -11.776 0.870 1.00 0.00 H new ATOM 1107 N VAL A 78 5.078 -3.850 2.455 1.00 0.00 N ATOM 1108 CA VAL A 78 6.215 -3.845 1.543 1.00 0.00 C ATOM 1109 C VAL A 78 7.190 -4.969 1.874 1.00 0.00 C ATOM 1110 O VAL A 78 7.291 -5.400 3.023 1.00 0.00 O ATOM 1111 CB VAL A 78 6.965 -2.500 1.588 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.010 -2.434 0.484 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.986 -1.341 1.477 1.00 0.00 C ATOM 0 H VAL A 78 5.290 -3.514 3.394 1.00 0.00 H new ATOM 0 HA VAL A 78 5.817 -3.997 0.540 1.00 0.00 H new ATOM 0 HB VAL A 78 7.479 -2.422 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.530 -1.477 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.728 -3.244 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.522 -2.534 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.533 -0.399 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.443 -1.412 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.280 -1.381 2.306 1.00 0.00 H new ATOM 1123 N LEU A 79 7.907 -5.441 0.860 1.00 0.00 N ATOM 1124 CA LEU A 79 8.876 -6.516 1.043 1.00 0.00 C ATOM 1125 C LEU A 79 10.065 -6.342 0.103 1.00 0.00 C ATOM 1126 O LEU A 79 9.899 -6.002 -1.068 1.00 0.00 O ATOM 1127 CB LEU A 79 8.213 -7.873 0.800 1.00 0.00 C ATOM 1128 CG LEU A 79 7.696 -8.123 -0.617 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.741 -9.607 -0.948 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.282 -7.583 -0.772 1.00 0.00 C ATOM 0 H LEU A 79 7.836 -5.096 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 79 9.239 -6.475 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.931 -8.655 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.378 -7.977 1.493 1.00 0.00 H new ATOM 0 HG LEU A 79 8.344 -7.596 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.369 -9.765 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.768 -9.964 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.118 -10.156 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.930 -7.770 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.622 -8.081 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.279 -6.510 -0.579 1.00 0.00 H new ATOM 1142 N ALA A 80 11.264 -6.581 0.624 1.00 0.00 N ATOM 1143 CA ALA A 80 12.481 -6.456 -0.169 1.00 0.00 C ATOM 1144 C ALA A 80 12.672 -7.667 -1.076 1.00 0.00 C ATOM 1145 O ALA A 80 12.266 -8.779 -0.737 1.00 0.00 O ATOM 1146 CB ALA A 80 13.688 -6.279 0.741 1.00 0.00 C ATOM 0 H ALA A 80 11.419 -6.862 1.592 1.00 0.00 H new ATOM 0 HA ALA A 80 12.384 -5.573 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.590 -6.187 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.561 -5.379 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.779 -7.144 1.398 1.00 0.00 H new ATOM 1152 N VAL A 81 13.292 -7.444 -2.230 1.00 0.00 N ATOM 1153 CA VAL A 81 13.538 -8.517 -3.186 1.00 0.00 C ATOM 1154 C VAL A 81 14.860 -8.310 -3.916 1.00 0.00 C ATOM 1155 O VAL A 81 15.177 -7.201 -4.345 1.00 0.00 O ATOM 1156 CB VAL A 81 12.402 -8.617 -4.221 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.515 -9.910 -5.015 1.00 0.00 C ATOM 1158 CG2 VAL A 81 11.047 -8.519 -3.536 1.00 0.00 C ATOM 0 H VAL A 81 13.633 -6.529 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 81 13.583 -9.445 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 81 12.493 -7.783 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.704 -9.963 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.472 -9.934 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.450 -10.761 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.256 -8.592 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.943 -9.332 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.970 -7.563 -3.017 1.00 0.00 H new ATOM 1168 N ASN A 82 15.627 -9.386 -4.056 1.00 0.00 N ATOM 1169 CA ASN A 82 16.916 -9.323 -4.735 1.00 0.00 C ATOM 1170 C ASN A 82 17.262 -10.666 -5.371 1.00 0.00 C ATOM 1171 O ASN A 82 16.475 -11.611 -5.317 1.00 0.00 O ATOM 1172 CB ASN A 82 18.015 -8.913 -3.752 1.00 0.00 C ATOM 1173 CG ASN A 82 18.549 -10.090 -2.958 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.436 -10.811 -3.415 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.009 -10.289 -1.761 1.00 0.00 N ATOM 0 H ASN A 82 15.378 -10.312 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 82 16.846 -8.574 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.834 -8.447 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.623 -8.163 -3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.327 -11.065 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.276 -9.666 -1.422 1.00 0.00 H new ATOM 1182 N SER A 83 18.446 -10.743 -5.971 1.00 0.00 N ATOM 1183 CA SER A 83 18.896 -11.969 -6.620 1.00 0.00 C ATOM 1184 C SER A 83 18.389 -13.198 -5.870 1.00 0.00 C ATOM 1185 O SER A 83 17.918 -14.159 -6.479 1.00 0.00 O ATOM 1186 CB SER A 83 20.423 -11.999 -6.698 1.00 0.00 C ATOM 1187 OG SER A 83 20.910 -10.981 -7.555 1.00 0.00 O ATOM 0 H SER A 83 19.111 -9.971 -6.021 1.00 0.00 H new ATOM 0 HA SER A 83 18.488 -11.987 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.844 -11.871 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.753 -12.973 -7.061 1.00 0.00 H new ATOM 0 HG SER A 83 21.889 -11.020 -7.586 1.00 0.00 H new ATOM 1193 N ILE A 84 18.489 -13.158 -4.546 1.00 0.00 N ATOM 1194 CA ILE A 84 18.041 -14.267 -3.713 1.00 0.00 C ATOM 1195 C ILE A 84 16.556 -14.546 -3.922 1.00 0.00 C ATOM 1196 O ILE A 84 16.169 -15.649 -4.304 1.00 0.00 O ATOM 1197 CB ILE A 84 18.294 -13.987 -2.220 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.758 -13.608 -1.990 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.918 -15.200 -1.382 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.712 -14.774 -2.125 1.00 0.00 C ATOM 0 H ILE A 84 18.876 -12.370 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 84 18.619 -15.141 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 84 17.669 -13.149 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.041 -12.833 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.861 -13.178 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.103 -14.986 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.862 -15.429 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.520 -16.055 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.732 -14.432 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.455 -15.541 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.637 -15.191 -3.129 1.00 0.00 H new ATOM 1212 N GLY A 85 15.728 -13.537 -3.670 1.00 0.00 N ATOM 1213 CA GLY A 85 14.295 -13.693 -3.837 1.00 0.00 C ATOM 1214 C GLY A 85 13.504 -12.668 -3.049 1.00 0.00 C ATOM 1215 O GLY A 85 14.051 -11.658 -2.607 1.00 0.00 O ATOM 0 H GLY A 85 16.024 -12.614 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.044 -13.606 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.002 -14.694 -3.521 1.00 0.00 H new ATOM 1219 N ARG A 86 12.213 -12.928 -2.873 1.00 0.00 N ATOM 1220 CA ARG A 86 11.344 -12.019 -2.135 1.00 0.00 C ATOM 1221 C ARG A 86 11.291 -12.398 -0.658 1.00 0.00 C ATOM 1222 O ARG A 86 10.874 -13.499 -0.303 1.00 0.00 O ATOM 1223 CB ARG A 86 9.934 -12.033 -2.727 1.00 0.00 C ATOM 1224 CG ARG A 86 9.896 -11.733 -4.217 1.00 0.00 C ATOM 1225 CD ARG A 86 8.732 -12.436 -4.897 1.00 0.00 C ATOM 1226 NE ARG A 86 9.088 -13.780 -5.342 1.00 0.00 N ATOM 1227 CZ ARG A 86 8.220 -14.630 -5.880 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.952 -14.277 -6.039 1.00 0.00 N ATOM 1229 NH2 ARG A 86 8.621 -15.837 -6.260 1.00 0.00 N ATOM 0 H ARG A 86 11.745 -13.761 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 86 11.756 -11.013 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.485 -13.010 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.321 -11.300 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.813 -10.657 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.832 -12.049 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.890 -12.494 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.402 -11.846 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 86 10.056 -14.083 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.640 -13.350 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.288 -14.932 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.596 -16.112 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.954 -16.489 -6.673 1.00 0.00 H new ATOM 1243 N GLY A 87 11.717 -11.475 0.201 1.00 0.00 N ATOM 1244 CA GLY A 87 11.710 -11.732 1.629 1.00 0.00 C ATOM 1245 C GLY A 87 10.329 -11.586 2.237 1.00 0.00 C ATOM 1246 O GLY A 87 9.337 -11.378 1.537 1.00 0.00 O ATOM 0 H GLY A 87 12.066 -10.555 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.081 -12.740 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.396 -11.043 2.122 1.00 0.00 H new ATOM 1250 N PRO A 88 10.251 -11.698 3.572 1.00 0.00 N ATOM 1251 CA PRO A 88 8.986 -11.582 4.303 1.00 0.00 C ATOM 1252 C PRO A 88 8.439 -10.159 4.293 1.00 0.00 C ATOM 1253 O PRO A 88 9.186 -9.181 4.298 1.00 0.00 O ATOM 1254 CB PRO A 88 9.360 -12.001 5.727 1.00 0.00 C ATOM 1255 CG PRO A 88 10.817 -11.708 5.838 1.00 0.00 C ATOM 1256 CD PRO A 88 11.392 -11.946 4.469 1.00 0.00 C ATOM 0 HA PRO A 88 8.200 -12.191 3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.787 -11.443 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.155 -13.058 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.985 -10.680 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.290 -12.354 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.222 -11.272 4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.772 -12.962 4.364 1.00 0.00 H new ATOM 1264 N PRO A 89 7.103 -10.038 4.277 1.00 0.00 N ATOM 1265 CA PRO A 89 6.426 -8.738 4.267 1.00 0.00 C ATOM 1266 C PRO A 89 6.576 -7.995 5.590 1.00 0.00 C ATOM 1267 O PRO A 89 6.531 -8.601 6.661 1.00 0.00 O ATOM 1268 CB PRO A 89 4.960 -9.104 4.022 1.00 0.00 C ATOM 1269 CG PRO A 89 4.827 -10.497 4.531 1.00 0.00 C ATOM 1270 CD PRO A 89 6.151 -11.161 4.270 1.00 0.00 C ATOM 0 HA PRO A 89 6.844 -8.067 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.289 -8.425 4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.709 -9.044 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.590 -10.503 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.019 -11.023 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.391 -11.896 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.156 -11.686 3.315 1.00 0.00 H new ATOM 1278 N SER A 90 6.755 -6.681 5.509 1.00 0.00 N ATOM 1279 CA SER A 90 6.915 -5.856 6.701 1.00 0.00 C ATOM 1280 C SER A 90 5.604 -5.760 7.475 1.00 0.00 C ATOM 1281 O SER A 90 4.578 -6.288 7.047 1.00 0.00 O ATOM 1282 CB SER A 90 7.397 -4.456 6.317 1.00 0.00 C ATOM 1283 OG SER A 90 7.249 -3.551 7.397 1.00 0.00 O ATOM 0 H SER A 90 6.793 -6.164 4.630 1.00 0.00 H new ATOM 0 HA SER A 90 7.661 -6.327 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.443 -4.499 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.832 -4.097 5.457 1.00 0.00 H new ATOM 0 HG SER A 90 8.117 -3.147 7.607 1.00 0.00 H new ATOM 1289 N GLU A 91 5.647 -5.082 8.618 1.00 0.00 N ATOM 1290 CA GLU A 91 4.463 -4.917 9.453 1.00 0.00 C ATOM 1291 C GLU A 91 3.291 -4.380 8.636 1.00 0.00 C ATOM 1292 O GLU A 91 3.345 -3.268 8.111 1.00 0.00 O ATOM 1293 CB GLU A 91 4.761 -3.973 10.619 1.00 0.00 C ATOM 1294 CG GLU A 91 5.165 -2.575 10.182 1.00 0.00 C ATOM 1295 CD GLU A 91 5.605 -1.705 11.344 1.00 0.00 C ATOM 1296 OE1 GLU A 91 4.725 -1.210 12.079 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.827 -1.518 11.517 1.00 0.00 O ATOM 0 H GLU A 91 6.488 -4.639 8.986 1.00 0.00 H new ATOM 0 HA GLU A 91 4.190 -5.895 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.878 -3.905 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.559 -4.400 11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.977 -2.645 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.325 -2.100 9.675 1.00 0.00 H new ATOM 1304 N ALA A 92 2.234 -5.179 8.533 1.00 0.00 N ATOM 1305 CA ALA A 92 1.049 -4.784 7.782 1.00 0.00 C ATOM 1306 C ALA A 92 0.427 -3.518 8.362 1.00 0.00 C ATOM 1307 O ALA A 92 0.155 -3.441 9.560 1.00 0.00 O ATOM 1308 CB ALA A 92 0.031 -5.915 7.768 1.00 0.00 C ATOM 0 H ALA A 92 2.174 -6.103 8.960 1.00 0.00 H new ATOM 0 HA ALA A 92 1.354 -4.571 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.849 -5.606 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.472 -6.795 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.260 -6.155 8.791 1.00 0.00 H new ATOM 1314 N VAL A 93 0.206 -2.526 7.505 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.384 -1.263 7.933 1.00 0.00 C ATOM 1316 C VAL A 93 -1.742 -1.041 7.277 1.00 0.00 C ATOM 1317 O VAL A 93 -1.890 -1.192 6.064 1.00 0.00 O ATOM 1318 CB VAL A 93 0.535 -0.073 7.600 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.804 -0.127 8.438 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.868 -0.057 6.116 1.00 0.00 C ATOM 0 H VAL A 93 0.427 -2.573 6.510 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.511 -1.323 9.014 1.00 0.00 H new ATOM 0 HB VAL A 93 0.007 0.850 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.441 0.722 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.544 -0.087 9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.338 -1.054 8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.518 0.790 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.376 -0.983 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.052 0.033 5.538 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.732 -0.682 8.088 1.00 0.00 N ATOM 1331 CA ARG A 94 -4.080 -0.439 7.587 1.00 0.00 C ATOM 1332 C ARG A 94 -4.367 1.057 7.501 1.00 0.00 C ATOM 1333 O ARG A 94 -4.448 1.743 8.519 1.00 0.00 O ATOM 1334 CB ARG A 94 -5.112 -1.117 8.490 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.219 -2.617 8.274 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.594 -3.139 8.659 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.544 -4.520 9.133 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.865 -4.903 10.208 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -5.183 -4.013 10.918 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.867 -6.177 10.577 1.00 0.00 N ATOM 0 H ARG A 94 -2.626 -0.553 9.094 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.150 -0.862 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.852 -0.926 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.088 -0.663 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.020 -2.850 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.457 -3.126 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.018 -2.504 9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.260 -3.075 7.798 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.059 -5.228 8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.180 -3.032 10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.662 -4.310 11.743 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.391 -6.864 10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.345 -6.470 11.403 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.519 1.556 6.279 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.798 2.969 6.060 1.00 0.00 C ATOM 1356 C ALA A 95 -6.139 3.162 5.360 1.00 0.00 C ATOM 1357 O ALA A 95 -6.371 2.617 4.281 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.681 3.609 5.249 1.00 0.00 C ATOM 0 H ALA A 95 -4.453 1.002 5.425 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.851 3.458 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.903 4.665 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.739 3.512 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.600 3.109 4.284 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.019 3.940 5.982 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.338 4.203 5.419 1.00 0.00 C ATOM 1366 C ARG A 96 -8.298 5.403 4.476 1.00 0.00 C ATOM 1367 O ARG A 96 -8.000 6.523 4.892 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.353 4.453 6.536 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.782 4.108 6.150 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.756 4.433 7.272 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.705 5.843 7.650 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.562 6.409 8.492 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.531 5.690 9.040 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.450 7.698 8.787 1.00 0.00 N ATOM 0 H ARG A 96 -6.842 4.399 6.876 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.643 3.325 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.070 3.866 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.308 5.502 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.061 4.661 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.848 3.048 5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.768 4.178 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.527 3.816 8.141 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.971 6.425 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.620 4.699 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.188 6.128 9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.705 8.254 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.108 8.132 9.434 1.00 0.00 H new ATOM 1388 N THR A 97 -8.600 5.160 3.205 1.00 0.00 N ATOM 1389 CA THR A 97 -8.597 6.219 2.203 1.00 0.00 C ATOM 1390 C THR A 97 -9.645 7.279 2.520 1.00 0.00 C ATOM 1391 O THR A 97 -10.622 7.010 3.218 1.00 0.00 O ATOM 1392 CB THR A 97 -8.861 5.658 0.793 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.221 5.224 0.684 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.927 4.497 0.488 1.00 0.00 C ATOM 0 H THR A 97 -8.850 4.239 2.845 1.00 0.00 H new ATOM 0 HA THR A 97 -7.606 6.673 2.226 1.00 0.00 H new ATOM 0 HB THR A 97 -8.675 6.453 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.359 4.794 -0.186 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.133 4.118 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.893 4.838 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.085 3.702 1.217 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.435 8.486 2.003 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.371 9.569 2.243 1.00 0.00 C ATOM 1404 C GLY A 98 -11.622 9.452 1.394 1.00 0.00 C ATOM 1405 O GLY A 98 -11.724 8.564 0.548 1.00 0.00 O ATOM 0 H GLY A 98 -8.634 8.733 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.650 9.577 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.882 10.521 2.035 1.00 0.00 H new