USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 67 THR OG1 : rot -45:sc= 0.0246 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.0284 USER MOD Set 2.1: A 54 SER OG : rot -130:sc= 0 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 48 THR OG1 : rot -177:sc= 0.299 USER MOD Set 3.2: A 50 THR OG1 : rot 69:sc= 0.321 USER MOD Set 4.1: A 31 GLN : amide:sc= 0.818 K(o=2.1,f=-1.4!) USER MOD Set 4.2: A 33 TYR OH : rot -107:sc= 1.28 USER MOD Set 5.1: A 1 ASP N :NH3+ -113:sc= -0.726 (180deg=0.0273) USER MOD Set 5.2: A 4 MET CE :methyl -125:sc= -1.53 (180deg=-1.6!) USER MOD Single : A 2 SER OG : rot 161:sc= 0.692 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 0:sc= -1.31 USER MOD Single : A 16 TYR OH : rot 141:sc= -2.18! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -22:sc= 1.91 USER MOD Single : A 34 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.52) USER MOD Single : A 35 ASN : amide:sc= -8.16! C(o=-8.2!,f=-22!) USER MOD Single : A 38 MET CE :methyl -143:sc= -0.109 (180deg=-0.765) USER MOD Single : A 41 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-4.2!) USER MOD Single : A 43 ASN : amide:sc= -4.95 X(o=-5,f=-5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.8!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.21 F(o=-2.4,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 124:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.998 -12.491 7.331 1.00 0.00 N ATOM 2 CA ASP A 1 -15.827 -12.408 8.248 1.00 0.00 C ATOM 3 C ASP A 1 -15.213 -11.008 8.164 1.00 0.00 C ATOM 4 O ASP A 1 -15.629 -10.183 7.377 1.00 0.00 O ATOM 5 CB ASP A 1 -14.782 -13.448 7.839 1.00 0.00 C ATOM 6 CG ASP A 1 -15.416 -14.840 7.845 1.00 0.00 C ATOM 7 OD1 ASP A 1 -16.441 -14.999 8.487 1.00 0.00 O ATOM 8 OD2 ASP A 1 -14.867 -15.723 7.207 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.869 -12.597 7.889 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.055 -11.623 6.761 1.00 0.00 H new ATOM 0 H3 ASP A 1 -16.889 -13.312 6.702 1.00 0.00 H new ATOM 0 HA ASP A 1 -16.152 -12.603 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -14.394 -13.218 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -13.937 -13.419 8.526 1.00 0.00 H new ATOM 15 N SER A 2 -14.222 -10.737 8.969 1.00 0.00 N ATOM 16 CA SER A 2 -13.579 -9.393 8.937 1.00 0.00 C ATOM 17 C SER A 2 -13.366 -8.964 7.485 1.00 0.00 C ATOM 18 O SER A 2 -13.325 -7.790 7.174 1.00 0.00 O ATOM 19 CB SER A 2 -12.229 -9.462 9.647 1.00 0.00 C ATOM 20 OG SER A 2 -12.428 -9.404 11.051 1.00 0.00 O ATOM 0 H SER A 2 -13.830 -11.389 9.648 1.00 0.00 H new ATOM 0 HA SER A 2 -14.221 -8.670 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.713 -10.384 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.594 -8.637 9.325 1.00 0.00 H new ATOM 0 HG SER A 2 -11.634 -9.751 11.509 1.00 0.00 H new ATOM 26 N GLU A 3 -13.233 -9.904 6.591 1.00 0.00 N ATOM 27 CA GLU A 3 -13.030 -9.548 5.162 1.00 0.00 C ATOM 28 C GLU A 3 -14.052 -8.482 4.788 1.00 0.00 C ATOM 29 O GLU A 3 -13.804 -7.620 3.968 1.00 0.00 O ATOM 30 CB GLU A 3 -13.236 -10.787 4.290 1.00 0.00 C ATOM 31 CG GLU A 3 -11.916 -11.549 4.167 1.00 0.00 C ATOM 32 CD GLU A 3 -12.062 -12.660 3.124 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.051 -12.649 2.411 1.00 0.00 O ATOM 34 OE2 GLU A 3 -11.183 -13.503 3.059 1.00 0.00 O ATOM 0 H GLU A 3 -13.256 -10.904 6.790 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.019 -9.172 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.000 -11.430 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.593 -10.495 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.116 -10.867 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.639 -11.975 5.131 1.00 0.00 H new ATOM 41 N MET A 4 -15.197 -8.532 5.404 1.00 0.00 N ATOM 42 CA MET A 4 -16.245 -7.517 5.115 1.00 0.00 C ATOM 43 C MET A 4 -15.874 -6.222 5.834 1.00 0.00 C ATOM 44 O MET A 4 -16.127 -5.135 5.357 1.00 0.00 O ATOM 45 CB MET A 4 -17.601 -8.014 5.622 1.00 0.00 C ATOM 46 CG MET A 4 -17.974 -9.311 4.901 1.00 0.00 C ATOM 47 SD MET A 4 -19.594 -9.878 5.477 1.00 0.00 S ATOM 48 CE MET A 4 -19.138 -10.161 7.205 1.00 0.00 C ATOM 0 H MET A 4 -15.454 -9.234 6.098 1.00 0.00 H new ATOM 0 HA MET A 4 -16.312 -7.345 4.041 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.559 -8.183 6.698 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.365 -7.257 5.448 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.996 -9.147 3.824 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.221 -10.075 5.092 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.385 -11.185 7.484 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.067 -9.999 7.330 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.686 -9.469 7.844 1.00 0.00 H new ATOM 58 N CYS A 5 -15.262 -6.339 6.981 1.00 0.00 N ATOM 59 CA CYS A 5 -14.855 -5.127 7.738 1.00 0.00 C ATOM 60 C CYS A 5 -13.520 -4.620 7.188 1.00 0.00 C ATOM 61 O CYS A 5 -12.912 -3.721 7.732 1.00 0.00 O ATOM 62 CB CYS A 5 -14.703 -5.478 9.222 1.00 0.00 C ATOM 63 SG CYS A 5 -15.999 -6.651 9.698 1.00 0.00 S ATOM 0 H CYS A 5 -15.027 -7.226 7.426 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.613 -4.352 7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -13.720 -5.911 9.406 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.773 -4.576 9.830 1.00 0.00 H new ATOM 68 N LYS A 6 -13.054 -5.191 6.110 1.00 0.00 N ATOM 69 CA LYS A 6 -11.762 -4.733 5.528 1.00 0.00 C ATOM 70 C LYS A 6 -11.882 -3.262 5.125 1.00 0.00 C ATOM 71 O LYS A 6 -10.942 -2.499 5.234 1.00 0.00 O ATOM 72 CB LYS A 6 -11.431 -5.572 4.292 1.00 0.00 C ATOM 73 CG LYS A 6 -10.609 -6.791 4.707 1.00 0.00 C ATOM 74 CD LYS A 6 -10.057 -7.482 3.459 1.00 0.00 C ATOM 75 CE LYS A 6 -9.622 -8.905 3.815 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.134 -8.975 3.838 1.00 0.00 N ATOM 0 H LYS A 6 -13.511 -5.953 5.609 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.969 -4.848 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.350 -5.891 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.874 -4.973 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.791 -6.486 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.229 -7.484 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.817 -7.507 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.211 -6.920 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.026 -9.188 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.019 -9.612 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.836 -9.941 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.760 -8.721 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.766 -8.311 4.549 1.00 0.00 H new ATOM 90 N ASP A 7 -13.031 -2.860 4.655 1.00 0.00 N ATOM 91 CA ASP A 7 -13.211 -1.439 4.240 1.00 0.00 C ATOM 92 C ASP A 7 -14.600 -0.946 4.656 1.00 0.00 C ATOM 93 O ASP A 7 -15.464 -0.729 3.830 1.00 0.00 O ATOM 94 CB ASP A 7 -13.069 -1.332 2.720 1.00 0.00 C ATOM 95 CG ASP A 7 -13.412 0.091 2.274 1.00 0.00 C ATOM 96 OD1 ASP A 7 -12.548 0.946 2.374 1.00 0.00 O ATOM 97 OD2 ASP A 7 -14.534 0.301 1.841 1.00 0.00 O ATOM 0 H ASP A 7 -13.853 -3.453 4.540 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.452 -0.825 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.051 -1.583 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.731 -2.047 2.231 1.00 0.00 H new ATOM 102 N TYR A 8 -14.820 -0.761 5.930 1.00 0.00 N ATOM 103 CA TYR A 8 -16.152 -0.274 6.391 1.00 0.00 C ATOM 104 C TYR A 8 -15.994 1.112 7.019 1.00 0.00 C ATOM 105 O TYR A 8 -14.953 1.731 6.926 1.00 0.00 O ATOM 106 CB TYR A 8 -16.729 -1.248 7.426 1.00 0.00 C ATOM 107 CG TYR A 8 -16.009 -1.081 8.743 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.781 -1.718 8.952 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.567 -0.290 9.753 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.111 -1.564 10.172 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.897 -0.136 10.973 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.669 -0.773 11.183 1.00 0.00 C ATOM 113 OH TYR A 8 -14.007 -0.619 12.384 1.00 0.00 O ATOM 0 H TYR A 8 -14.137 -0.926 6.670 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.831 -0.213 5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.795 -1.063 7.558 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.625 -2.273 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.350 -2.329 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.515 0.202 9.592 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.163 -2.056 10.333 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.328 0.475 11.752 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.168 -1.125 12.362 1.00 0.00 H new ATOM 123 N ARG A 9 -17.018 1.603 7.659 1.00 0.00 N ATOM 124 CA ARG A 9 -16.923 2.949 8.294 1.00 0.00 C ATOM 125 C ARG A 9 -17.877 3.021 9.487 1.00 0.00 C ATOM 126 O ARG A 9 -18.969 2.490 9.455 1.00 0.00 O ATOM 127 CB ARG A 9 -17.300 4.026 7.273 1.00 0.00 C ATOM 128 CG ARG A 9 -16.127 4.261 6.317 1.00 0.00 C ATOM 129 CD ARG A 9 -16.440 5.452 5.409 1.00 0.00 C ATOM 130 NE ARG A 9 -15.580 5.391 4.193 1.00 0.00 N ATOM 131 CZ ARG A 9 -14.430 6.008 4.177 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.308 7.144 3.547 1.00 0.00 N ATOM 133 NH2 ARG A 9 -13.402 5.486 4.788 1.00 0.00 N ATOM 0 H ARG A 9 -17.916 1.132 7.770 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.901 3.115 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.183 3.717 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.556 4.953 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.215 4.451 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.949 3.369 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.492 5.439 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.266 6.386 5.944 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.890 4.868 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.111 7.550 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.409 7.626 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.497 4.596 5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.503 5.968 4.776 1.00 0.00 H new ATOM 147 N VAL A 10 -17.473 3.676 10.541 1.00 0.00 N ATOM 148 CA VAL A 10 -18.355 3.784 11.737 1.00 0.00 C ATOM 149 C VAL A 10 -18.189 5.171 12.361 1.00 0.00 C ATOM 150 O VAL A 10 -17.096 5.693 12.459 1.00 0.00 O ATOM 151 CB VAL A 10 -17.966 2.710 12.756 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.621 3.020 14.105 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.444 1.343 12.261 1.00 0.00 C ATOM 0 H VAL A 10 -16.569 4.141 10.625 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.394 3.640 11.442 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.882 2.698 12.874 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.343 2.254 14.829 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.282 3.994 14.459 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.705 3.033 13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.168 0.577 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.528 1.357 12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.978 1.120 11.301 1.00 0.00 H new ATOM 163 N LEU A 11 -19.268 5.775 12.782 1.00 0.00 N ATOM 164 CA LEU A 11 -19.173 7.130 13.395 1.00 0.00 C ATOM 165 C LEU A 11 -19.697 7.077 14.833 1.00 0.00 C ATOM 166 O LEU A 11 -20.197 6.066 15.284 1.00 0.00 O ATOM 167 CB LEU A 11 -20.016 8.115 12.580 1.00 0.00 C ATOM 168 CG LEU A 11 -19.094 9.070 11.817 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.609 8.393 10.533 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.864 10.344 11.462 1.00 0.00 C ATOM 0 H LEU A 11 -20.210 5.388 12.728 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.133 7.457 13.400 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.653 7.573 11.881 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.675 8.679 13.240 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.236 9.324 12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.953 9.072 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.062 7.484 10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.466 8.140 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.209 11.025 10.919 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.721 10.089 10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.211 10.826 12.376 1.00 0.00 H new ATOM 182 N PRO A 12 -19.579 8.196 15.564 1.00 0.00 N ATOM 183 CA PRO A 12 -20.039 8.288 16.956 1.00 0.00 C ATOM 184 C PRO A 12 -21.566 8.224 17.058 1.00 0.00 C ATOM 185 O PRO A 12 -22.113 7.848 18.075 1.00 0.00 O ATOM 186 CB PRO A 12 -19.543 9.663 17.406 1.00 0.00 C ATOM 187 CG PRO A 12 -19.415 10.444 16.143 1.00 0.00 C ATOM 188 CD PRO A 12 -18.987 9.460 15.092 1.00 0.00 C ATOM 0 HA PRO A 12 -19.666 7.464 17.564 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.246 10.133 18.094 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.588 9.590 17.926 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.362 10.913 15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.682 11.244 16.251 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.358 9.736 14.105 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.901 9.395 15.018 1.00 0.00 H new ATOM 196 N ARG A 13 -22.255 8.584 16.011 1.00 0.00 N ATOM 197 CA ARG A 13 -23.744 8.541 16.049 1.00 0.00 C ATOM 198 C ARG A 13 -24.232 7.286 15.322 1.00 0.00 C ATOM 199 O ARG A 13 -25.365 6.872 15.468 1.00 0.00 O ATOM 200 CB ARG A 13 -24.308 9.783 15.356 1.00 0.00 C ATOM 201 CG ARG A 13 -25.835 9.695 15.314 1.00 0.00 C ATOM 202 CD ARG A 13 -26.389 10.805 14.417 1.00 0.00 C ATOM 203 NE ARG A 13 -25.885 12.125 14.889 1.00 0.00 N ATOM 204 CZ ARG A 13 -26.465 13.223 14.490 1.00 0.00 C ATOM 205 NH1 ARG A 13 -27.350 13.807 15.250 1.00 0.00 N ATOM 206 NH2 ARG A 13 -26.161 13.738 13.330 1.00 0.00 N ATOM 0 H ARG A 13 -21.852 8.906 15.131 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.083 8.519 17.085 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.000 10.682 15.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -23.910 9.860 14.344 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -26.143 8.720 14.936 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -26.243 9.790 16.320 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -26.086 10.637 13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -27.479 10.792 14.436 1.00 0.00 H new ATOM 0 HE ARG A 13 -25.087 12.170 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -27.589 13.405 16.157 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -27.803 14.666 14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.470 13.282 12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.615 14.597 13.018 1.00 0.00 H new ATOM 220 N ILE A 14 -23.386 6.679 14.537 1.00 0.00 N ATOM 221 CA ILE A 14 -23.802 5.454 13.796 1.00 0.00 C ATOM 222 C ILE A 14 -23.351 4.210 14.564 1.00 0.00 C ATOM 223 O ILE A 14 -24.080 3.245 14.682 1.00 0.00 O ATOM 224 CB ILE A 14 -23.157 5.459 12.408 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.707 6.633 11.594 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.476 4.146 11.691 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.977 6.711 10.252 1.00 0.00 C ATOM 0 H ILE A 14 -22.424 6.978 14.376 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.887 5.441 13.696 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.077 5.562 12.510 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.777 6.506 11.431 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.577 7.564 12.145 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.016 4.150 10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.083 3.310 12.270 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.556 4.041 11.588 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.369 7.547 9.673 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.911 6.858 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.130 5.784 9.700 1.00 0.00 H new ATOM 239 N GLY A 15 -22.156 4.223 15.086 1.00 0.00 N ATOM 240 CA GLY A 15 -21.662 3.038 15.841 1.00 0.00 C ATOM 241 C GLY A 15 -21.378 1.895 14.865 1.00 0.00 C ATOM 242 O GLY A 15 -21.571 2.024 13.672 1.00 0.00 O ATOM 0 H GLY A 15 -21.501 5.002 15.022 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.756 3.295 16.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.404 2.727 16.577 1.00 0.00 H new ATOM 246 N TYR A 16 -20.923 0.776 15.358 1.00 0.00 N ATOM 247 CA TYR A 16 -20.629 -0.370 14.453 1.00 0.00 C ATOM 248 C TYR A 16 -21.936 -1.060 14.060 1.00 0.00 C ATOM 249 O TYR A 16 -22.918 -1.009 14.777 1.00 0.00 O ATOM 250 CB TYR A 16 -19.722 -1.372 15.170 1.00 0.00 C ATOM 251 CG TYR A 16 -18.794 -2.010 14.164 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.276 -2.991 13.290 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.453 -1.614 14.099 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.416 -3.577 12.352 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.594 -2.198 13.161 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.076 -3.179 12.287 1.00 0.00 C ATOM 257 OH TYR A 16 -16.230 -3.752 11.360 1.00 0.00 O ATOM 0 H TYR A 16 -20.742 0.606 16.347 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.127 -0.002 13.558 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.146 -0.868 15.946 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.323 -2.136 15.664 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.311 -3.296 13.339 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.081 -0.857 14.773 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -18.787 -4.336 11.679 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.560 -1.892 13.112 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.629 -3.067 10.998 1.00 0.00 H new ATOM 267 N LEU A 17 -21.959 -1.706 12.927 1.00 0.00 N ATOM 268 CA LEU A 17 -23.204 -2.398 12.491 1.00 0.00 C ATOM 269 C LEU A 17 -22.998 -3.913 12.554 1.00 0.00 C ATOM 270 O LEU A 17 -22.096 -4.454 11.948 1.00 0.00 O ATOM 271 CB LEU A 17 -23.543 -1.987 11.057 1.00 0.00 C ATOM 272 CG LEU A 17 -24.070 -0.552 11.049 1.00 0.00 C ATOM 273 CD1 LEU A 17 -24.417 -0.146 9.617 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.323 -0.461 11.921 1.00 0.00 C ATOM 0 H LEU A 17 -21.170 -1.785 12.285 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.024 -2.117 13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -22.657 -2.064 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.290 -2.663 10.641 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.305 0.117 11.443 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -24.793 0.877 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -23.524 -0.209 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.181 -0.816 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.697 0.563 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.089 -1.130 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.077 -0.751 12.943 1.00 0.00 H new ATOM 286 N CYS A 18 -23.835 -4.598 13.283 1.00 0.00 N ATOM 287 CA CYS A 18 -23.703 -6.080 13.394 1.00 0.00 C ATOM 288 C CYS A 18 -25.095 -6.695 13.539 1.00 0.00 C ATOM 289 O CYS A 18 -26.028 -6.044 13.966 1.00 0.00 O ATOM 290 CB CYS A 18 -22.862 -6.431 14.624 1.00 0.00 C ATOM 291 SG CYS A 18 -21.215 -5.696 14.465 1.00 0.00 S ATOM 0 H CYS A 18 -24.609 -4.194 13.810 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.216 -6.472 12.501 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.349 -6.063 15.527 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -22.780 -7.513 14.724 1.00 0.00 H new ATOM 296 N PRO A 19 -25.232 -7.976 13.178 1.00 0.00 N ATOM 297 CA PRO A 19 -26.511 -8.690 13.268 1.00 0.00 C ATOM 298 C PRO A 19 -26.900 -8.963 14.722 1.00 0.00 C ATOM 299 O PRO A 19 -26.105 -8.798 15.627 1.00 0.00 O ATOM 300 CB PRO A 19 -26.239 -10.006 12.540 1.00 0.00 C ATOM 301 CG PRO A 19 -24.764 -10.202 12.650 1.00 0.00 C ATOM 302 CD PRO A 19 -24.151 -8.828 12.657 1.00 0.00 C ATOM 0 HA PRO A 19 -27.334 -8.118 12.841 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.783 -10.832 12.998 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.555 -9.955 11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.511 -10.744 13.561 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.387 -10.791 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.265 -8.786 13.291 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.843 -8.520 11.658 1.00 0.00 H new ATOM 310 N LYS A 20 -28.113 -9.378 14.958 1.00 0.00 N ATOM 311 CA LYS A 20 -28.544 -9.654 16.356 1.00 0.00 C ATOM 312 C LYS A 20 -28.350 -11.139 16.670 1.00 0.00 C ATOM 313 O LYS A 20 -28.485 -11.568 17.798 1.00 0.00 O ATOM 314 CB LYS A 20 -30.021 -9.288 16.518 1.00 0.00 C ATOM 315 CG LYS A 20 -30.226 -7.820 16.137 1.00 0.00 C ATOM 316 CD LYS A 20 -31.711 -7.467 16.252 1.00 0.00 C ATOM 317 CE LYS A 20 -31.924 -6.008 15.841 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.372 -5.772 15.579 1.00 0.00 N ATOM 0 H LYS A 20 -28.824 -9.538 14.244 1.00 0.00 H new ATOM 0 HA LYS A 20 -27.944 -9.057 17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.637 -9.928 15.887 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.338 -9.456 17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.637 -7.177 16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -29.877 -7.645 15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.302 -8.125 15.615 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.054 -7.621 17.275 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.573 -5.342 16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.340 -5.781 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.517 -4.781 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -33.693 -6.398 14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.918 -5.972 16.441 1.00 0.00 H new ATOM 332 N ASP A 21 -28.033 -11.929 15.680 1.00 0.00 N ATOM 333 CA ASP A 21 -27.830 -13.385 15.924 1.00 0.00 C ATOM 334 C ASP A 21 -26.467 -13.605 16.582 1.00 0.00 C ATOM 335 O ASP A 21 -25.438 -13.290 16.018 1.00 0.00 O ATOM 336 CB ASP A 21 -27.881 -14.137 14.595 1.00 0.00 C ATOM 337 CG ASP A 21 -29.217 -13.857 13.903 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.098 -13.321 14.555 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.336 -14.184 12.733 1.00 0.00 O ATOM 0 H ASP A 21 -27.906 -11.629 14.713 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.616 -13.757 16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.055 -13.824 13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.765 -15.207 14.765 1.00 0.00 H new ATOM 344 N LEU A 22 -26.449 -14.142 17.771 1.00 0.00 N ATOM 345 CA LEU A 22 -25.150 -14.379 18.460 1.00 0.00 C ATOM 346 C LEU A 22 -24.458 -15.600 17.852 1.00 0.00 C ATOM 347 O LEU A 22 -24.955 -16.707 17.920 1.00 0.00 O ATOM 348 CB LEU A 22 -25.392 -14.625 19.949 1.00 0.00 C ATOM 349 CG LEU A 22 -24.054 -14.891 20.642 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.099 -13.726 20.372 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.275 -15.025 22.150 1.00 0.00 C ATOM 0 H LEU A 22 -27.277 -14.427 18.294 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.516 -13.501 18.335 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.881 -13.760 20.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.060 -15.475 20.085 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.624 -15.814 20.254 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.146 -13.915 20.866 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.939 -13.628 19.298 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.532 -12.804 20.760 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.321 -15.214 22.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.706 -14.102 22.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.955 -15.854 22.346 1.00 0.00 H new ATOM 363 N LYS A 23 -23.311 -15.407 17.261 1.00 0.00 N ATOM 364 CA LYS A 23 -22.580 -16.552 16.652 1.00 0.00 C ATOM 365 C LYS A 23 -21.118 -16.505 17.101 1.00 0.00 C ATOM 366 O LYS A 23 -20.353 -15.672 16.660 1.00 0.00 O ATOM 367 CB LYS A 23 -22.656 -16.456 15.127 1.00 0.00 C ATOM 368 CG LYS A 23 -23.816 -17.310 14.626 1.00 0.00 C ATOM 369 CD LYS A 23 -23.428 -17.977 13.305 1.00 0.00 C ATOM 370 CE LYS A 23 -22.147 -18.791 13.498 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.051 -19.826 12.428 1.00 0.00 N ATOM 0 H LYS A 23 -22.848 -14.502 17.174 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.032 -17.491 16.972 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.795 -15.419 14.823 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.721 -16.796 14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.070 -18.068 15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.703 -16.691 14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.235 -18.625 12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.278 -17.221 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.277 -18.135 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.149 -19.266 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.181 -20.380 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.875 -20.458 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.030 -19.362 11.497 1.00 0.00 H new ATOM 385 N PRO A 24 -20.733 -17.420 18.004 1.00 0.00 N ATOM 386 CA PRO A 24 -19.364 -17.490 18.537 1.00 0.00 C ATOM 387 C PRO A 24 -18.343 -17.838 17.455 1.00 0.00 C ATOM 388 O PRO A 24 -18.420 -18.872 16.824 1.00 0.00 O ATOM 389 CB PRO A 24 -19.443 -18.612 19.575 1.00 0.00 C ATOM 390 CG PRO A 24 -20.595 -19.443 19.127 1.00 0.00 C ATOM 391 CD PRO A 24 -21.594 -18.471 18.571 1.00 0.00 C ATOM 0 HA PRO A 24 -19.036 -16.535 18.947 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.521 -19.193 19.605 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.603 -18.216 20.578 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.288 -20.166 18.371 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.017 -20.009 19.957 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.228 -18.930 17.812 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.255 -18.081 19.345 1.00 0.00 H new ATOM 399 N VAL A 25 -17.391 -16.976 17.234 1.00 0.00 N ATOM 400 CA VAL A 25 -16.365 -17.252 16.188 1.00 0.00 C ATOM 401 C VAL A 25 -14.973 -17.286 16.816 1.00 0.00 C ATOM 402 O VAL A 25 -14.725 -16.677 17.838 1.00 0.00 O ATOM 403 CB VAL A 25 -16.397 -16.144 15.138 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.826 -15.963 14.625 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.910 -14.838 15.770 1.00 0.00 C ATOM 0 H VAL A 25 -17.278 -16.093 17.731 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.584 -18.215 15.727 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.748 -16.412 14.304 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.846 -15.172 13.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.173 -16.895 14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.479 -15.693 15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.931 -14.043 15.024 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.561 -14.572 16.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.891 -14.968 16.134 1.00 0.00 H new ATOM 415 N CYS A 26 -14.056 -17.976 16.196 1.00 0.00 N ATOM 416 CA CYS A 26 -12.671 -18.027 16.739 1.00 0.00 C ATOM 417 C CYS A 26 -11.827 -16.985 16.005 1.00 0.00 C ATOM 418 O CYS A 26 -12.058 -16.692 14.849 1.00 0.00 O ATOM 419 CB CYS A 26 -12.073 -19.420 16.518 1.00 0.00 C ATOM 420 SG CYS A 26 -10.362 -19.442 17.110 1.00 0.00 S ATOM 0 H CYS A 26 -14.206 -18.506 15.338 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.684 -17.818 17.809 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.662 -20.169 17.048 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.106 -19.678 15.460 1.00 0.00 H new ATOM 425 N GLY A 27 -10.860 -16.412 16.661 1.00 0.00 N ATOM 426 CA GLY A 27 -10.017 -15.384 15.993 1.00 0.00 C ATOM 427 C GLY A 27 -8.700 -16.015 15.542 1.00 0.00 C ATOM 428 O GLY A 27 -8.109 -16.813 16.242 1.00 0.00 O ATOM 0 H GLY A 27 -10.616 -16.611 17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.545 -14.968 15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.821 -14.559 16.678 1.00 0.00 H new ATOM 432 N ASP A 28 -8.233 -15.660 14.377 1.00 0.00 N ATOM 433 CA ASP A 28 -6.951 -16.237 13.882 1.00 0.00 C ATOM 434 C ASP A 28 -5.806 -15.785 14.790 1.00 0.00 C ATOM 435 O ASP A 28 -4.699 -16.280 14.703 1.00 0.00 O ATOM 436 CB ASP A 28 -6.691 -15.754 12.454 1.00 0.00 C ATOM 437 CG ASP A 28 -5.474 -16.485 11.882 1.00 0.00 C ATOM 438 OD1 ASP A 28 -5.054 -17.457 12.487 1.00 0.00 O ATOM 439 OD2 ASP A 28 -4.983 -16.059 10.850 1.00 0.00 O ATOM 0 H ASP A 28 -8.683 -14.996 13.747 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.015 -17.325 13.890 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.566 -15.939 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.518 -14.678 12.448 1.00 0.00 H new ATOM 444 N ASP A 29 -6.062 -14.849 15.662 1.00 0.00 N ATOM 445 CA ASP A 29 -4.987 -14.366 16.573 1.00 0.00 C ATOM 446 C ASP A 29 -4.991 -15.196 17.861 1.00 0.00 C ATOM 447 O ASP A 29 -4.214 -14.957 18.765 1.00 0.00 O ATOM 448 CB ASP A 29 -5.231 -12.897 16.915 1.00 0.00 C ATOM 449 CG ASP A 29 -6.560 -12.762 17.661 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.170 -13.784 17.932 1.00 0.00 O ATOM 451 OD2 ASP A 29 -6.945 -11.641 17.948 1.00 0.00 O ATOM 0 H ASP A 29 -6.969 -14.398 15.783 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.021 -14.470 16.078 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.416 -12.515 17.530 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.250 -12.299 16.004 1.00 0.00 H new ATOM 456 N GLY A 30 -5.858 -16.167 17.955 1.00 0.00 N ATOM 457 CA GLY A 30 -5.904 -17.005 19.187 1.00 0.00 C ATOM 458 C GLY A 30 -6.942 -16.433 20.155 1.00 0.00 C ATOM 459 O GLY A 30 -6.924 -16.711 21.338 1.00 0.00 O ATOM 0 H GLY A 30 -6.535 -16.416 17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.158 -18.034 18.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.923 -17.028 19.661 1.00 0.00 H new ATOM 463 N GLN A 31 -7.848 -15.634 19.662 1.00 0.00 N ATOM 464 CA GLN A 31 -8.888 -15.041 20.550 1.00 0.00 C ATOM 465 C GLN A 31 -10.273 -15.489 20.081 1.00 0.00 C ATOM 466 O GLN A 31 -10.426 -16.030 19.006 1.00 0.00 O ATOM 467 CB GLN A 31 -8.799 -13.515 20.489 1.00 0.00 C ATOM 468 CG GLN A 31 -7.531 -13.048 21.206 1.00 0.00 C ATOM 469 CD GLN A 31 -7.329 -11.550 20.965 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.094 -10.927 20.256 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.322 -10.942 21.531 1.00 0.00 N ATOM 0 H GLN A 31 -7.913 -15.366 18.680 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.725 -15.375 21.575 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.786 -13.182 19.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.678 -13.070 20.955 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.611 -13.248 22.275 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.668 -13.605 20.841 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.680 -11.465 22.126 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.177 -9.944 21.378 1.00 0.00 H new ATOM 480 N THR A 32 -11.285 -15.268 20.875 1.00 0.00 N ATOM 481 CA THR A 32 -12.656 -15.681 20.463 1.00 0.00 C ATOM 482 C THR A 32 -13.607 -14.491 20.594 1.00 0.00 C ATOM 483 O THR A 32 -13.457 -13.655 21.462 1.00 0.00 O ATOM 484 CB THR A 32 -13.141 -16.820 21.361 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.282 -17.942 21.206 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.567 -17.207 20.965 1.00 0.00 C ATOM 0 H THR A 32 -11.222 -14.820 21.789 1.00 0.00 H new ATOM 0 HA THR A 32 -12.635 -16.020 19.427 1.00 0.00 H new ATOM 0 HB THR A 32 -13.129 -16.496 22.402 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.810 -17.877 20.350 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.914 -18.019 21.604 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.224 -16.345 21.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.580 -17.533 19.925 1.00 0.00 H new ATOM 494 N TYR A 33 -14.586 -14.407 19.736 1.00 0.00 N ATOM 495 CA TYR A 33 -15.543 -13.269 19.810 1.00 0.00 C ATOM 496 C TYR A 33 -16.973 -13.806 19.814 1.00 0.00 C ATOM 497 O TYR A 33 -17.349 -14.603 18.977 1.00 0.00 O ATOM 498 CB TYR A 33 -15.329 -12.358 18.603 1.00 0.00 C ATOM 499 CG TYR A 33 -13.864 -12.004 18.516 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.926 -12.989 18.186 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.443 -10.694 18.773 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.567 -12.664 18.112 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.082 -10.369 18.699 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.144 -11.354 18.369 1.00 0.00 C ATOM 505 OH TYR A 33 -9.804 -11.036 18.296 1.00 0.00 O ATOM 0 H TYR A 33 -14.764 -15.077 18.988 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.376 -12.701 20.725 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.651 -12.859 17.690 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.931 -11.454 18.700 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.251 -14.000 17.988 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.167 -9.934 19.028 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.844 -13.424 17.856 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.757 -9.358 18.897 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.450 -10.902 19.200 1.00 0.00 H new ATOM 515 N ASN A 34 -17.772 -13.385 20.756 1.00 0.00 N ATOM 516 CA ASN A 34 -19.174 -13.881 20.817 1.00 0.00 C ATOM 517 C ASN A 34 -19.828 -13.746 19.441 1.00 0.00 C ATOM 518 O ASN A 34 -19.973 -14.711 18.722 1.00 0.00 O ATOM 519 CB ASN A 34 -19.965 -13.076 21.855 1.00 0.00 C ATOM 520 CG ASN A 34 -19.093 -12.833 23.087 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.412 -13.727 23.551 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.085 -11.652 23.641 1.00 0.00 N ATOM 0 H ASN A 34 -17.514 -12.720 21.485 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.172 -14.931 21.110 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.282 -12.125 21.428 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.869 -13.616 22.137 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.507 -11.478 24.464 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.656 -10.902 23.252 1.00 0.00 H new ATOM 529 N ASN A 35 -20.225 -12.565 19.070 1.00 0.00 N ATOM 530 CA ASN A 35 -20.869 -12.377 17.738 1.00 0.00 C ATOM 531 C ASN A 35 -19.786 -12.264 16.659 1.00 0.00 C ATOM 532 O ASN A 35 -18.699 -11.782 16.909 1.00 0.00 O ATOM 533 CB ASN A 35 -21.720 -11.101 17.777 1.00 0.00 C ATOM 534 CG ASN A 35 -22.044 -10.635 16.359 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.160 -10.305 15.599 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.290 -10.589 15.971 1.00 0.00 N ATOM 0 H ASN A 35 -20.133 -11.718 19.630 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.507 -13.229 17.503 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.643 -11.288 18.325 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.186 -10.316 18.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.519 -10.275 15.028 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.034 -10.867 16.611 1.00 0.00 H new ATOM 543 N PRO A 36 -20.096 -12.715 15.432 1.00 0.00 N ATOM 544 CA PRO A 36 -19.155 -12.666 14.303 1.00 0.00 C ATOM 545 C PRO A 36 -18.810 -11.227 13.907 1.00 0.00 C ATOM 546 O PRO A 36 -17.655 -10.850 13.869 1.00 0.00 O ATOM 547 CB PRO A 36 -19.914 -13.366 13.174 1.00 0.00 C ATOM 548 CG PRO A 36 -21.348 -13.209 13.545 1.00 0.00 C ATOM 549 CD PRO A 36 -21.384 -13.309 15.043 1.00 0.00 C ATOM 0 HA PRO A 36 -18.201 -13.136 14.543 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.700 -12.909 12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.635 -14.417 13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.739 -12.250 13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.960 -13.984 13.084 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.227 -12.763 15.466 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.472 -14.342 15.379 1.00 0.00 H new ATOM 557 N CYS A 37 -19.791 -10.414 13.628 1.00 0.00 N ATOM 558 CA CYS A 37 -19.493 -9.006 13.261 1.00 0.00 C ATOM 559 C CYS A 37 -18.804 -8.333 14.448 1.00 0.00 C ATOM 560 O CYS A 37 -18.011 -7.427 14.291 1.00 0.00 O ATOM 561 CB CYS A 37 -20.795 -8.273 12.934 1.00 0.00 C ATOM 562 SG CYS A 37 -20.469 -6.502 12.768 1.00 0.00 S ATOM 0 H CYS A 37 -20.780 -10.664 13.639 1.00 0.00 H new ATOM 0 HA CYS A 37 -18.844 -8.975 12.386 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.221 -8.663 12.010 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.529 -8.446 13.721 1.00 0.00 H new ATOM 567 N MET A 38 -19.097 -8.788 15.638 1.00 0.00 N ATOM 568 CA MET A 38 -18.457 -8.195 16.844 1.00 0.00 C ATOM 569 C MET A 38 -16.944 -8.401 16.755 1.00 0.00 C ATOM 570 O MET A 38 -16.176 -7.769 17.455 1.00 0.00 O ATOM 571 CB MET A 38 -18.997 -8.886 18.101 1.00 0.00 C ATOM 572 CG MET A 38 -20.213 -8.116 18.622 1.00 0.00 C ATOM 573 SD MET A 38 -19.710 -6.445 19.101 1.00 0.00 S ATOM 574 CE MET A 38 -18.813 -6.898 20.606 1.00 0.00 C ATOM 0 H MET A 38 -19.753 -9.546 15.825 1.00 0.00 H new ATOM 0 HA MET A 38 -18.681 -7.130 16.896 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.275 -9.915 17.873 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.223 -8.927 18.868 1.00 0.00 H new ATOM 0 HG2 MET A 38 -20.984 -8.069 17.853 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.647 -8.636 19.476 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.975 -6.137 21.369 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.175 -7.859 20.970 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.748 -6.971 20.387 1.00 0.00 H new ATOM 584 N LEU A 39 -16.510 -9.276 15.889 1.00 0.00 N ATOM 585 CA LEU A 39 -15.048 -9.524 15.740 1.00 0.00 C ATOM 586 C LEU A 39 -14.376 -8.247 15.248 1.00 0.00 C ATOM 587 O LEU A 39 -13.363 -7.828 15.770 1.00 0.00 O ATOM 588 CB LEU A 39 -14.830 -10.657 14.732 1.00 0.00 C ATOM 589 CG LEU A 39 -13.338 -10.796 14.424 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.596 -11.241 15.684 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.141 -11.841 13.324 1.00 0.00 C ATOM 0 H LEU A 39 -17.107 -9.831 15.276 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.615 -9.812 16.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.217 -11.593 15.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.382 -10.452 13.815 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.945 -9.835 14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.533 -11.340 15.464 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.737 -10.499 16.470 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.989 -12.202 16.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.078 -11.941 13.103 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.534 -12.801 13.659 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.670 -11.527 12.424 1.00 0.00 H new ATOM 603 N CYS A 40 -14.941 -7.609 14.263 1.00 0.00 N ATOM 604 CA CYS A 40 -14.335 -6.346 13.771 1.00 0.00 C ATOM 605 C CYS A 40 -14.573 -5.267 14.822 1.00 0.00 C ATOM 606 O CYS A 40 -13.890 -4.263 14.871 1.00 0.00 O ATOM 607 CB CYS A 40 -14.973 -5.931 12.446 1.00 0.00 C ATOM 608 SG CYS A 40 -15.367 -7.400 11.464 1.00 0.00 S ATOM 0 H CYS A 40 -15.790 -7.906 13.781 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.267 -6.486 13.604 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.879 -5.355 12.634 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.293 -5.284 11.892 1.00 0.00 H new ATOM 613 N HIS A 41 -15.535 -5.481 15.680 1.00 0.00 N ATOM 614 CA HIS A 41 -15.817 -4.489 16.749 1.00 0.00 C ATOM 615 C HIS A 41 -14.631 -4.461 17.709 1.00 0.00 C ATOM 616 O HIS A 41 -14.064 -3.421 17.980 1.00 0.00 O ATOM 617 CB HIS A 41 -17.076 -4.902 17.506 1.00 0.00 C ATOM 618 CG HIS A 41 -17.676 -3.696 18.174 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.152 -2.613 17.453 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.878 -3.384 19.496 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.612 -1.707 18.336 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.468 -2.127 19.597 1.00 0.00 N ATOM 0 H HIS A 41 -16.138 -6.304 15.683 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.969 -3.501 16.314 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.796 -5.347 16.820 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.834 -5.661 18.250 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.618 -4.018 20.331 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -19.045 -0.757 18.059 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -18.733 -1.633 20.449 1.00 0.00 H new ATOM 630 N GLU A 42 -14.237 -5.601 18.211 1.00 0.00 N ATOM 631 CA GLU A 42 -13.072 -5.629 19.133 1.00 0.00 C ATOM 632 C GLU A 42 -11.828 -5.249 18.336 1.00 0.00 C ATOM 633 O GLU A 42 -10.821 -4.838 18.881 1.00 0.00 O ATOM 634 CB GLU A 42 -12.905 -7.033 19.716 1.00 0.00 C ATOM 635 CG GLU A 42 -11.814 -7.013 20.788 1.00 0.00 C ATOM 636 CD GLU A 42 -11.652 -8.414 21.380 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.482 -9.259 21.089 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.701 -8.617 22.118 1.00 0.00 O ATOM 0 H GLU A 42 -14.669 -6.505 18.023 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.224 -4.928 19.954 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.847 -7.374 20.146 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.642 -7.737 18.927 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.871 -6.679 20.356 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.074 -6.303 21.573 1.00 0.00 H new ATOM 645 N ASN A 43 -11.900 -5.373 17.038 1.00 0.00 N ATOM 646 CA ASN A 43 -10.735 -5.009 16.187 1.00 0.00 C ATOM 647 C ASN A 43 -10.674 -3.488 16.064 1.00 0.00 C ATOM 648 O ASN A 43 -9.612 -2.903 15.980 1.00 0.00 O ATOM 649 CB ASN A 43 -10.900 -5.635 14.801 1.00 0.00 C ATOM 650 CG ASN A 43 -10.866 -7.160 14.924 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.356 -7.691 15.891 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.391 -7.893 13.980 1.00 0.00 N ATOM 0 H ASN A 43 -12.718 -5.712 16.531 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.813 -5.379 16.636 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.842 -5.316 14.356 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.104 -5.295 14.139 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.373 -8.910 14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.819 -7.449 13.168 1.00 0.00 H new ATOM 659 N LEU A 44 -11.808 -2.840 16.068 1.00 0.00 N ATOM 660 CA LEU A 44 -11.816 -1.356 15.968 1.00 0.00 C ATOM 661 C LEU A 44 -11.136 -0.780 17.209 1.00 0.00 C ATOM 662 O LEU A 44 -10.507 0.258 17.164 1.00 0.00 O ATOM 663 CB LEU A 44 -13.260 -0.855 15.893 1.00 0.00 C ATOM 664 CG LEU A 44 -13.264 0.667 15.748 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.327 1.074 14.609 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.683 1.147 15.438 1.00 0.00 C ATOM 0 H LEU A 44 -12.728 -3.276 16.136 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.283 -1.039 15.071 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.772 -1.313 15.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.805 -1.147 16.791 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.923 1.121 16.678 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.330 2.159 14.506 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.316 0.733 14.831 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.667 0.620 13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.686 2.232 15.335 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.026 0.693 14.508 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.350 0.858 16.250 1.00 0.00 H new ATOM 678 N ILE A 45 -11.251 -1.459 18.318 1.00 0.00 N ATOM 679 CA ILE A 45 -10.605 -0.970 19.566 1.00 0.00 C ATOM 680 C ILE A 45 -9.112 -1.284 19.508 1.00 0.00 C ATOM 681 O ILE A 45 -8.279 -0.459 19.825 1.00 0.00 O ATOM 682 CB ILE A 45 -11.224 -1.673 20.776 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.734 -1.811 20.573 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.951 -0.851 22.037 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.331 -0.442 20.243 1.00 0.00 C ATOM 0 H ILE A 45 -11.767 -2.334 18.412 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.756 0.106 19.659 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.782 -2.664 20.884 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.941 -2.514 19.766 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.197 -2.214 21.473 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.392 -1.351 22.900 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.875 -0.756 22.183 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.392 0.140 21.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.407 -0.540 20.098 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.136 0.247 21.065 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.876 -0.057 19.331 1.00 0.00 H new ATOM 697 N ARG A 46 -8.767 -2.475 19.097 1.00 0.00 N ATOM 698 CA ARG A 46 -7.328 -2.843 19.009 1.00 0.00 C ATOM 699 C ARG A 46 -6.740 -2.262 17.722 1.00 0.00 C ATOM 700 O ARG A 46 -5.539 -2.185 17.556 1.00 0.00 O ATOM 701 CB ARG A 46 -7.189 -4.367 18.990 1.00 0.00 C ATOM 702 CG ARG A 46 -7.654 -4.939 20.329 1.00 0.00 C ATOM 703 CD ARG A 46 -7.414 -6.450 20.347 1.00 0.00 C ATOM 704 NE ARG A 46 -8.028 -7.037 21.572 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.646 -6.631 22.752 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.463 -6.101 22.909 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.446 -6.755 23.775 1.00 0.00 N ATOM 0 H ARG A 46 -9.421 -3.207 18.819 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.794 -2.443 19.871 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.782 -4.787 18.178 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.152 -4.646 18.804 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.113 -4.464 21.147 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.712 -4.726 20.480 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.845 -6.908 19.456 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.344 -6.659 20.328 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.747 -7.756 21.488 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.837 -6.004 22.109 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.165 -5.784 23.831 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.370 -7.169 23.653 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.147 -6.438 24.697 1.00 0.00 H new ATOM 721 N GLN A 47 -7.580 -1.852 16.812 1.00 0.00 N ATOM 722 CA GLN A 47 -7.077 -1.275 15.534 1.00 0.00 C ATOM 723 C GLN A 47 -6.290 -2.339 14.769 1.00 0.00 C ATOM 724 O GLN A 47 -5.228 -2.081 14.238 1.00 0.00 O ATOM 725 CB GLN A 47 -6.171 -0.080 15.835 1.00 0.00 C ATOM 726 CG GLN A 47 -6.988 1.015 16.525 1.00 0.00 C ATOM 727 CD GLN A 47 -6.106 2.243 16.760 1.00 0.00 C ATOM 728 OE1 GLN A 47 -4.897 2.164 16.659 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.662 3.381 17.072 1.00 0.00 N ATOM 0 H GLN A 47 -8.596 -1.892 16.899 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.920 -0.944 14.927 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.343 -0.389 16.473 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.736 0.302 14.912 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.847 1.284 15.910 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.378 0.648 17.474 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.676 3.447 17.157 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.082 4.205 17.231 1.00 0.00 H new ATOM 738 N THR A 48 -6.806 -3.536 14.703 1.00 0.00 N ATOM 739 CA THR A 48 -6.093 -4.618 13.970 1.00 0.00 C ATOM 740 C THR A 48 -7.054 -5.274 12.977 1.00 0.00 C ATOM 741 O THR A 48 -8.255 -5.104 13.057 1.00 0.00 O ATOM 742 CB THR A 48 -5.592 -5.669 14.964 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.670 -6.515 15.339 1.00 0.00 O ATOM 744 CG2 THR A 48 -5.029 -4.974 16.205 1.00 0.00 C ATOM 0 H THR A 48 -7.692 -3.811 15.126 1.00 0.00 H new ATOM 0 HA THR A 48 -5.244 -4.195 13.434 1.00 0.00 H new ATOM 0 HB THR A 48 -4.807 -6.265 14.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.362 -7.159 16.010 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.673 -5.724 16.912 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.202 -4.326 15.915 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.811 -4.376 16.674 1.00 0.00 H new ATOM 752 N ASN A 49 -6.540 -6.021 12.040 1.00 0.00 N ATOM 753 CA ASN A 49 -7.428 -6.684 11.044 1.00 0.00 C ATOM 754 C ASN A 49 -7.545 -8.173 11.373 1.00 0.00 C ATOM 755 O ASN A 49 -7.219 -9.024 10.570 1.00 0.00 O ATOM 756 CB ASN A 49 -6.841 -6.511 9.642 1.00 0.00 C ATOM 757 CG ASN A 49 -5.560 -7.339 9.517 1.00 0.00 C ATOM 758 OD1 ASN A 49 -5.027 -7.809 10.502 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.040 -7.537 8.336 1.00 0.00 N ATOM 0 H ASN A 49 -5.543 -6.201 11.921 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.418 -6.229 11.080 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.565 -6.828 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.626 -5.459 9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.186 -8.086 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.488 -7.142 7.509 1.00 0.00 H new ATOM 766 N THR A 50 -8.010 -8.495 12.551 1.00 0.00 N ATOM 767 CA THR A 50 -8.151 -9.928 12.933 1.00 0.00 C ATOM 768 C THR A 50 -9.312 -10.551 12.160 1.00 0.00 C ATOM 769 O THR A 50 -10.361 -9.957 12.011 1.00 0.00 O ATOM 770 CB THR A 50 -8.431 -10.030 14.434 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.374 -9.415 15.155 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.540 -11.504 14.837 1.00 0.00 C ATOM 0 H THR A 50 -8.298 -7.826 13.265 1.00 0.00 H new ATOM 0 HA THR A 50 -7.229 -10.458 12.696 1.00 0.00 H new ATOM 0 HB THR A 50 -9.369 -9.524 14.664 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.394 -8.447 15.003 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.739 -11.575 15.906 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.354 -11.973 14.284 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.604 -12.014 14.608 1.00 0.00 H new ATOM 780 N HIS A 51 -9.137 -11.747 11.671 1.00 0.00 N ATOM 781 CA HIS A 51 -10.233 -12.411 10.913 1.00 0.00 C ATOM 782 C HIS A 51 -10.741 -13.609 11.715 1.00 0.00 C ATOM 783 O HIS A 51 -10.220 -13.931 12.764 1.00 0.00 O ATOM 784 CB HIS A 51 -9.701 -12.887 9.561 1.00 0.00 C ATOM 785 CG HIS A 51 -9.171 -11.710 8.791 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.776 -10.827 7.932 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 -7.842 -11.322 8.858 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 -8.841 -9.904 7.473 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 -7.693 -10.248 8.062 1.00 0.00 N flip ATOM 0 H HIS A 51 -8.281 -12.294 11.764 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.049 -11.707 10.751 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.912 -13.625 9.707 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.495 -13.377 8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.067 -11.796 9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.008 -9.086 6.788 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.810 -9.756 7.925 1.00 0.00 H new ATOM 797 N ILE A 52 -11.754 -14.272 11.232 1.00 0.00 N ATOM 798 CA ILE A 52 -12.289 -15.447 11.972 1.00 0.00 C ATOM 799 C ILE A 52 -11.412 -16.668 11.694 1.00 0.00 C ATOM 800 O ILE A 52 -11.165 -17.025 10.559 1.00 0.00 O ATOM 801 CB ILE A 52 -13.719 -15.730 11.516 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.602 -14.521 11.831 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.248 -16.959 12.259 1.00 0.00 C ATOM 804 CD1 ILE A 52 -16.055 -14.850 11.488 1.00 0.00 C ATOM 0 H ILE A 52 -12.233 -14.051 10.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.286 -15.234 13.041 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.734 -15.917 10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.516 -14.259 12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.269 -13.655 11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.269 -17.167 11.938 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.616 -17.819 12.037 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.237 -16.768 13.332 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.686 -13.990 11.712 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.133 -15.091 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.384 -15.704 12.079 1.00 0.00 H new ATOM 816 N ARG A 53 -10.942 -17.310 12.726 1.00 0.00 N ATOM 817 CA ARG A 53 -10.078 -18.509 12.539 1.00 0.00 C ATOM 818 C ARG A 53 -10.951 -19.721 12.232 1.00 0.00 C ATOM 819 O ARG A 53 -10.678 -20.493 11.335 1.00 0.00 O ATOM 820 CB ARG A 53 -9.303 -18.773 13.830 1.00 0.00 C ATOM 821 CG ARG A 53 -8.329 -19.929 13.611 1.00 0.00 C ATOM 822 CD ARG A 53 -7.415 -20.066 14.831 1.00 0.00 C ATOM 823 NE ARG A 53 -6.469 -21.198 14.617 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.396 -21.299 15.354 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.275 -20.766 14.951 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.442 -21.936 16.492 1.00 0.00 N ATOM 0 H ARG A 53 -11.120 -17.054 13.697 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.386 -18.335 11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.759 -17.877 14.130 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.993 -19.013 14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.879 -20.856 13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.733 -19.752 12.715 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.862 -19.140 14.990 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.010 -20.240 15.727 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.660 -21.893 13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.237 -20.270 14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.437 -20.845 15.527 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.317 -22.356 16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.603 -22.014 17.067 1.00 0.00 H new ATOM 840 N SER A 54 -11.994 -19.892 12.987 1.00 0.00 N ATOM 841 CA SER A 54 -12.896 -21.055 12.772 1.00 0.00 C ATOM 842 C SER A 54 -14.250 -20.769 13.425 1.00 0.00 C ATOM 843 O SER A 54 -14.322 -20.232 14.512 1.00 0.00 O ATOM 844 CB SER A 54 -12.273 -22.297 13.410 1.00 0.00 C ATOM 845 OG SER A 54 -12.391 -22.212 14.822 1.00 0.00 O ATOM 0 H SER A 54 -12.264 -19.272 13.751 1.00 0.00 H new ATOM 0 HA SER A 54 -13.035 -21.224 11.704 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.772 -23.195 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.224 -22.378 13.126 1.00 0.00 H new ATOM 0 HG SER A 54 -11.520 -22.388 15.234 1.00 0.00 H new ATOM 851 N THR A 55 -15.322 -21.121 12.775 1.00 0.00 N ATOM 852 CA THR A 55 -16.666 -20.866 13.366 1.00 0.00 C ATOM 853 C THR A 55 -16.709 -21.417 14.793 1.00 0.00 C ATOM 854 O THR A 55 -16.078 -22.407 15.107 1.00 0.00 O ATOM 855 CB THR A 55 -17.736 -21.556 12.520 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.741 -22.947 12.810 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.433 -21.343 11.037 1.00 0.00 C ATOM 0 H THR A 55 -15.327 -21.574 11.861 1.00 0.00 H new ATOM 0 HA THR A 55 -16.856 -19.793 13.385 1.00 0.00 H new ATOM 0 HB THR A 55 -18.713 -21.132 12.752 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.428 -23.391 12.270 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.197 -21.836 10.435 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.429 -20.276 10.816 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.456 -21.766 10.801 1.00 0.00 H new ATOM 865 N GLY A 56 -17.450 -20.782 15.660 1.00 0.00 N ATOM 866 CA GLY A 56 -17.538 -21.266 17.066 1.00 0.00 C ATOM 867 C GLY A 56 -16.372 -20.699 17.874 1.00 0.00 C ATOM 868 O GLY A 56 -15.414 -20.187 17.328 1.00 0.00 O ATOM 0 H GLY A 56 -17.999 -19.947 15.454 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.485 -20.958 17.509 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.514 -22.356 17.089 1.00 0.00 H new ATOM 872 N LYS A 57 -16.448 -20.789 19.171 1.00 0.00 N ATOM 873 CA LYS A 57 -15.346 -20.257 20.021 1.00 0.00 C ATOM 874 C LYS A 57 -14.074 -21.069 19.771 1.00 0.00 C ATOM 875 O LYS A 57 -14.123 -22.256 19.519 1.00 0.00 O ATOM 876 CB LYS A 57 -15.741 -20.365 21.495 1.00 0.00 C ATOM 877 CG LYS A 57 -16.948 -19.463 21.768 1.00 0.00 C ATOM 878 CD LYS A 57 -17.282 -19.495 23.260 1.00 0.00 C ATOM 879 CE LYS A 57 -18.576 -18.714 23.508 1.00 0.00 C ATOM 880 NZ LYS A 57 -18.243 -17.331 23.952 1.00 0.00 N ATOM 0 H LYS A 57 -17.226 -21.208 19.681 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.165 -19.212 19.771 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.983 -21.399 21.743 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.904 -20.072 22.129 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.730 -18.442 21.455 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.806 -19.799 21.185 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.396 -20.525 23.596 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.465 -19.060 23.836 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.174 -18.681 22.597 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.177 -19.216 24.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.121 -16.800 24.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.689 -17.373 24.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.686 -16.854 23.214 1.00 0.00 H new ATOM 894 N CYS A 58 -12.935 -20.438 19.840 1.00 0.00 N ATOM 895 CA CYS A 58 -11.658 -21.171 19.608 1.00 0.00 C ATOM 896 C CYS A 58 -11.640 -22.444 20.454 1.00 0.00 C ATOM 897 O CYS A 58 -11.042 -23.437 20.089 1.00 0.00 O ATOM 898 CB CYS A 58 -10.484 -20.281 20.013 1.00 0.00 C ATOM 899 SG CYS A 58 -10.490 -18.774 19.010 1.00 0.00 S ATOM 0 H CYS A 58 -12.833 -19.445 20.047 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.575 -21.432 18.553 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.555 -20.026 21.070 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.545 -20.817 19.877 1.00 0.00 H new ATOM 904 N GLU A 59 -12.290 -22.421 21.584 1.00 0.00 N ATOM 905 CA GLU A 59 -12.310 -23.627 22.459 1.00 0.00 C ATOM 906 C GLU A 59 -13.346 -24.617 21.931 1.00 0.00 C ATOM 907 O GLU A 59 -13.187 -25.817 22.043 1.00 0.00 O ATOM 908 CB GLU A 59 -12.678 -23.217 23.886 1.00 0.00 C ATOM 909 CG GLU A 59 -11.998 -21.890 24.228 1.00 0.00 C ATOM 910 CD GLU A 59 -12.286 -21.529 25.686 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.337 -21.912 26.174 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.452 -20.875 26.291 1.00 0.00 O ATOM 0 H GLU A 59 -12.809 -21.618 21.940 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.325 -24.094 22.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.759 -23.118 23.980 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.366 -23.989 24.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.923 -21.968 24.067 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.362 -21.102 23.569 1.00 0.00 H new ATOM 919 N GLU A 60 -14.404 -24.126 21.351 1.00 0.00 N ATOM 920 CA GLU A 60 -15.447 -25.041 20.810 1.00 0.00 C ATOM 921 C GLU A 60 -14.804 -25.975 19.782 1.00 0.00 C ATOM 922 O GLU A 60 -15.327 -27.025 19.465 1.00 0.00 O ATOM 923 CB GLU A 60 -16.553 -24.213 20.144 1.00 0.00 C ATOM 924 CG GLU A 60 -17.357 -25.095 19.184 1.00 0.00 C ATOM 925 CD GLU A 60 -18.522 -24.291 18.602 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.579 -23.099 18.857 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.337 -24.882 17.912 1.00 0.00 O ATOM 0 H GLU A 60 -14.592 -23.131 21.228 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.881 -25.632 21.617 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.212 -23.792 20.904 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.115 -23.375 19.602 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.714 -25.456 18.381 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.734 -25.972 19.710 1.00 0.00 H new ATOM 934 N SER A 61 -13.674 -25.595 19.258 1.00 0.00 N ATOM 935 CA SER A 61 -12.991 -26.449 18.246 1.00 0.00 C ATOM 936 C SER A 61 -12.381 -27.676 18.928 1.00 0.00 C ATOM 937 O SER A 61 -12.300 -28.742 18.350 1.00 0.00 O ATOM 938 CB SER A 61 -11.883 -25.643 17.567 1.00 0.00 C ATOM 939 OG SER A 61 -12.427 -24.444 17.037 1.00 0.00 O ATOM 0 H SER A 61 -13.191 -24.726 19.487 1.00 0.00 H new ATOM 0 HA SER A 61 -13.718 -26.775 17.502 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.095 -25.412 18.284 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.427 -26.231 16.771 1.00 0.00 H new ATOM 0 HG SER A 61 -11.717 -23.926 16.603 1.00 0.00 H new ATOM 945 N SER A 62 -11.947 -27.538 20.152 1.00 0.00 N ATOM 946 CA SER A 62 -11.338 -28.700 20.859 1.00 0.00 C ATOM 947 C SER A 62 -12.085 -28.959 22.170 1.00 0.00 C ATOM 948 O SER A 62 -12.713 -28.078 22.725 1.00 0.00 O ATOM 949 CB SER A 62 -9.869 -28.397 21.165 1.00 0.00 C ATOM 950 OG SER A 62 -9.790 -27.375 22.147 1.00 0.00 O ATOM 0 H SER A 62 -11.988 -26.673 20.691 1.00 0.00 H new ATOM 0 HA SER A 62 -11.407 -29.583 20.224 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.368 -29.297 21.521 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.355 -28.083 20.257 1.00 0.00 H new ATOM 0 HG SER A 62 -8.849 -27.183 22.344 1.00 0.00 H new ATOM 956 N THR A 63 -12.018 -30.164 22.669 1.00 0.00 N ATOM 957 CA THR A 63 -12.718 -30.486 23.945 1.00 0.00 C ATOM 958 C THR A 63 -11.686 -30.908 24.992 1.00 0.00 C ATOM 959 O THR A 63 -10.570 -31.264 24.666 1.00 0.00 O ATOM 960 CB THR A 63 -13.707 -31.630 23.711 1.00 0.00 C ATOM 961 OG1 THR A 63 -13.008 -32.866 23.712 1.00 0.00 O ATOM 962 CG2 THR A 63 -14.404 -31.436 22.364 1.00 0.00 C ATOM 0 H THR A 63 -11.508 -30.940 22.247 1.00 0.00 H new ATOM 0 HA THR A 63 -13.259 -29.608 24.298 1.00 0.00 H new ATOM 0 HB THR A 63 -14.453 -31.634 24.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.399 -33.462 24.385 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.108 -32.251 22.198 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.941 -30.487 22.365 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.660 -31.431 21.567 1.00 0.00 H new ATOM 970 N PRO A 64 -12.068 -30.866 26.276 1.00 0.00 N ATOM 971 CA PRO A 64 -11.176 -31.242 27.380 1.00 0.00 C ATOM 972 C PRO A 64 -10.915 -32.751 27.413 1.00 0.00 C ATOM 973 O PRO A 64 -9.978 -33.215 28.030 1.00 0.00 O ATOM 974 CB PRO A 64 -11.952 -30.819 28.628 1.00 0.00 C ATOM 975 CG PRO A 64 -13.382 -30.835 28.205 1.00 0.00 C ATOM 976 CD PRO A 64 -13.398 -30.448 26.753 1.00 0.00 C ATOM 0 HA PRO A 64 -10.196 -30.773 27.291 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.776 -31.506 29.456 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.650 -29.828 28.966 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.819 -31.823 28.349 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.971 -30.137 28.800 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.197 -30.954 26.211 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.553 -29.377 26.624 1.00 0.00 H new ATOM 984 N GLY A 65 -11.737 -33.519 26.751 1.00 0.00 N ATOM 985 CA GLY A 65 -11.534 -34.995 26.745 1.00 0.00 C ATOM 986 C GLY A 65 -12.511 -35.643 25.759 1.00 0.00 C ATOM 987 O GLY A 65 -13.377 -34.991 25.211 1.00 0.00 O ATOM 0 H GLY A 65 -12.539 -33.188 26.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.508 -35.230 26.463 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.690 -35.398 27.746 1.00 0.00 H new ATOM 991 N THR A 66 -12.379 -36.921 25.532 1.00 0.00 N ATOM 992 CA THR A 66 -13.299 -37.609 24.583 1.00 0.00 C ATOM 993 C THR A 66 -14.148 -38.630 25.343 1.00 0.00 C ATOM 994 O THR A 66 -13.663 -39.336 26.205 1.00 0.00 O ATOM 995 CB THR A 66 -12.483 -38.329 23.507 1.00 0.00 C ATOM 996 OG1 THR A 66 -11.599 -37.403 22.888 1.00 0.00 O ATOM 997 CG2 THR A 66 -13.426 -38.917 22.457 1.00 0.00 C ATOM 0 H THR A 66 -11.674 -37.519 25.963 1.00 0.00 H new ATOM 0 HA THR A 66 -13.949 -36.871 24.113 1.00 0.00 H new ATOM 0 HB THR A 66 -11.907 -39.133 23.964 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.074 -37.862 22.200 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.844 -39.429 21.691 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.104 -39.626 22.933 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.004 -38.115 21.997 1.00 0.00 H new ATOM 1005 N THR A 67 -15.411 -38.715 25.029 1.00 0.00 N ATOM 1006 CA THR A 67 -16.290 -39.692 25.731 1.00 0.00 C ATOM 1007 C THR A 67 -16.898 -40.656 24.710 1.00 0.00 C ATOM 1008 O THR A 67 -16.959 -40.370 23.531 1.00 0.00 O ATOM 1009 CB THR A 67 -17.410 -38.941 26.455 1.00 0.00 C ATOM 1010 OG1 THR A 67 -18.369 -38.495 25.505 1.00 0.00 O ATOM 1011 CG2 THR A 67 -16.825 -37.738 27.195 1.00 0.00 C ATOM 0 H THR A 67 -15.873 -38.150 24.316 1.00 0.00 H new ATOM 0 HA THR A 67 -15.702 -40.255 26.456 1.00 0.00 H new ATOM 0 HB THR A 67 -17.890 -39.607 27.172 1.00 0.00 H new ATOM 0 HG1 THR A 67 -17.908 -38.097 24.737 1.00 0.00 H new ATOM 0 HG21 THR A 67 -17.624 -37.204 27.710 1.00 0.00 H new ATOM 0 HG22 THR A 67 -16.090 -38.081 27.923 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.344 -37.070 26.480 1.00 0.00 H new ATOM 1019 N ALA A 68 -17.345 -41.799 25.154 1.00 0.00 N ATOM 1020 CA ALA A 68 -17.946 -42.781 24.208 1.00 0.00 C ATOM 1021 C ALA A 68 -19.159 -42.152 23.517 1.00 0.00 C ATOM 1022 O ALA A 68 -19.478 -42.472 22.389 1.00 0.00 O ATOM 1023 CB ALA A 68 -18.389 -44.026 24.980 1.00 0.00 C ATOM 0 H ALA A 68 -17.320 -42.095 26.130 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.206 -43.061 23.458 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -18.829 -44.745 24.289 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.526 -44.476 25.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.128 -43.745 25.730 1.00 0.00 H new ATOM 1029 N ALA A 69 -19.838 -41.261 24.186 1.00 0.00 N ATOM 1030 CA ALA A 69 -21.029 -40.614 23.567 1.00 0.00 C ATOM 1031 C ALA A 69 -20.596 -39.822 22.332 1.00 0.00 C ATOM 1032 O ALA A 69 -21.292 -39.774 21.337 1.00 0.00 O ATOM 1033 CB ALA A 69 -21.678 -39.667 24.578 1.00 0.00 C ATOM 0 H ALA A 69 -19.620 -40.953 25.134 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.747 -41.380 23.274 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -22.549 -39.193 24.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -21.987 -40.231 25.458 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.960 -38.901 24.872 1.00 0.00 H new ATOM 1039 N SER A 70 -19.451 -39.198 22.387 1.00 0.00 N ATOM 1040 CA SER A 70 -18.976 -38.409 21.216 1.00 0.00 C ATOM 1041 C SER A 70 -18.920 -39.308 19.980 1.00 0.00 C ATOM 1042 O SER A 70 -19.147 -38.871 18.870 1.00 0.00 O ATOM 1043 CB SER A 70 -17.579 -37.855 21.507 1.00 0.00 C ATOM 1044 OG SER A 70 -17.620 -37.067 22.688 1.00 0.00 O ATOM 0 H SER A 70 -18.825 -39.201 23.192 1.00 0.00 H new ATOM 0 HA SER A 70 -19.664 -37.584 21.033 1.00 0.00 H new ATOM 0 HB2 SER A 70 -16.869 -38.673 21.627 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.232 -37.253 20.667 1.00 0.00 H new ATOM 0 HG SER A 70 -16.726 -36.713 22.876 1.00 0.00 H new ATOM 1050 N MET A 71 -18.618 -40.563 20.164 1.00 0.00 N ATOM 1051 CA MET A 71 -18.547 -41.491 19.000 1.00 0.00 C ATOM 1052 C MET A 71 -19.962 -41.907 18.592 1.00 0.00 C ATOM 1053 O MET A 71 -20.865 -41.946 19.405 1.00 0.00 O ATOM 1054 CB MET A 71 -17.740 -42.733 19.384 1.00 0.00 C ATOM 1055 CG MET A 71 -16.255 -42.481 19.114 1.00 0.00 C ATOM 1056 SD MET A 71 -15.729 -43.454 17.681 1.00 0.00 S ATOM 1057 CE MET A 71 -14.080 -42.729 17.509 1.00 0.00 C ATOM 0 H MET A 71 -18.417 -40.987 21.070 1.00 0.00 H new ATOM 0 HA MET A 71 -18.061 -40.988 18.164 1.00 0.00 H new ATOM 0 HB2 MET A 71 -17.894 -42.969 20.437 1.00 0.00 H new ATOM 0 HB3 MET A 71 -18.084 -43.594 18.811 1.00 0.00 H new ATOM 0 HG2 MET A 71 -16.083 -41.421 18.930 1.00 0.00 H new ATOM 0 HG3 MET A 71 -15.664 -42.753 19.989 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.565 -43.192 16.667 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.170 -41.657 17.335 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.510 -42.901 18.422 1.00 0.00 H new ATOM 1067 N PRO A 72 -20.152 -42.224 17.304 1.00 0.00 N ATOM 1068 CA PRO A 72 -21.456 -42.640 16.774 1.00 0.00 C ATOM 1069 C PRO A 72 -21.860 -44.029 17.277 1.00 0.00 C ATOM 1070 O PRO A 72 -21.027 -44.888 17.488 1.00 0.00 O ATOM 1071 CB PRO A 72 -21.232 -42.680 15.263 1.00 0.00 C ATOM 1072 CG PRO A 72 -19.765 -42.901 15.107 1.00 0.00 C ATOM 1073 CD PRO A 72 -19.110 -42.201 16.262 1.00 0.00 C ATOM 0 HA PRO A 72 -22.255 -41.967 17.084 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -21.806 -43.482 14.798 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -21.545 -41.749 14.791 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.529 -43.965 15.112 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.410 -42.501 14.157 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -18.206 -42.717 16.585 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.821 -41.182 16.004 1.00 0.00 H new ATOM 1081 N PRO A 73 -23.169 -44.245 17.470 1.00 0.00 N ATOM 1082 CA PRO A 73 -23.698 -45.529 17.949 1.00 0.00 C ATOM 1083 C PRO A 73 -23.569 -46.627 16.889 1.00 0.00 C ATOM 1084 O PRO A 73 -23.359 -46.356 15.723 1.00 0.00 O ATOM 1085 CB PRO A 73 -25.173 -45.230 18.215 1.00 0.00 C ATOM 1086 CG PRO A 73 -25.490 -44.076 17.325 1.00 0.00 C ATOM 1087 CD PRO A 73 -24.234 -43.255 17.236 1.00 0.00 C ATOM 0 HA PRO A 73 -23.159 -45.894 18.823 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.800 -46.092 17.985 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.344 -44.982 19.262 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.801 -44.420 16.338 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.312 -43.486 17.731 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.133 -42.777 16.261 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -24.218 -42.461 17.983 1.00 0.00 H new ATOM 1095 N SER A 74 -23.690 -47.863 17.285 1.00 0.00 N ATOM 1096 CA SER A 74 -23.572 -48.976 16.301 1.00 0.00 C ATOM 1097 C SER A 74 -24.934 -49.240 15.656 1.00 0.00 C ATOM 1098 O SER A 74 -25.050 -50.008 14.721 1.00 0.00 O ATOM 1099 CB SER A 74 -23.094 -50.241 17.018 1.00 0.00 C ATOM 1100 OG SER A 74 -21.901 -49.958 17.733 1.00 0.00 O ATOM 0 H SER A 74 -23.866 -48.151 18.248 1.00 0.00 H new ATOM 0 HA SER A 74 -22.854 -48.700 15.528 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.864 -50.597 17.702 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.917 -51.037 16.295 1.00 0.00 H new ATOM 0 HG SER A 74 -21.596 -50.767 18.194 1.00 0.00 H new ATOM 1106 N ASP A 75 -25.966 -48.611 16.146 1.00 0.00 N ATOM 1107 CA ASP A 75 -27.319 -48.830 15.560 1.00 0.00 C ATOM 1108 C ASP A 75 -27.494 -47.938 14.329 1.00 0.00 C ATOM 1109 O ASP A 75 -28.271 -48.233 13.443 1.00 0.00 O ATOM 1110 CB ASP A 75 -28.385 -48.481 16.599 1.00 0.00 C ATOM 1111 CG ASP A 75 -28.276 -49.443 17.784 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -27.648 -50.476 17.625 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -28.821 -49.129 18.829 1.00 0.00 O ATOM 0 H ASP A 75 -25.932 -47.955 16.926 1.00 0.00 H new ATOM 0 HA ASP A 75 -27.424 -49.875 15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -28.255 -47.453 16.938 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.378 -48.547 16.154 1.00 0.00 H new ATOM 1118 N GLU A 76 -26.777 -46.849 14.267 1.00 0.00 N ATOM 1119 CA GLU A 76 -26.903 -45.940 13.093 1.00 0.00 C ATOM 1120 C GLU A 76 -25.638 -45.089 12.968 1.00 0.00 C ATOM 1121 O GLU A 76 -24.686 -45.563 12.372 1.00 0.00 O ATOM 1122 CB GLU A 76 -28.116 -45.027 13.283 1.00 0.00 C ATOM 1123 CG GLU A 76 -29.392 -45.871 13.303 1.00 0.00 C ATOM 1124 CD GLU A 76 -30.614 -44.951 13.262 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -30.439 -43.757 13.448 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -31.703 -45.454 13.046 1.00 0.00 O ATOM 1127 OXT GLU A 76 -25.645 -43.977 13.471 1.00 0.00 O ATOM 0 H GLU A 76 -26.110 -46.550 14.978 1.00 0.00 H new ATOM 0 HA GLU A 76 -27.033 -46.532 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -28.022 -44.469 14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -28.164 -44.295 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -29.405 -46.549 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -29.418 -46.488 14.201 1.00 0.00 H new TER 1134 GLU A 76