USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=22 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 31 GLN : amide:sc= -0.0713 K(o=-2.5,f=-8.2!) USER MOD Set 1.2: A 33 TYR OH : rot -102:sc= 1.23 USER MOD Set 1.3: A 43 ASN : amide:sc= -4.05 K(o=-2.5,f=-4.5!) USER MOD Set 1.4: A 48 THR OG1 : rot 180:sc= 0.339 USER MOD Set 1.5: A 50 THR OG1 : rot 29:sc= 0.0659 USER MOD Set 2.1: A 8 TYR OH : rot -131:sc= 1.71 USER MOD Set 2.2: A 16 TYR OH : rot -86:sc= -2.86! USER MOD Set 3.1: A 1 ASP N :NH3+ 139:sc= -1.35 (180deg=0.000445) USER MOD Set 3.2: A 4 MET CE :methyl -129:sc= -2.29 (180deg=-0.773) USER MOD Set 4.1: A 2 SER OG : rot -151:sc= 0.689 USER MOD Set 4.2: A 49 ASN : amide:sc= 0.911 K(o=-3.4,f=-12!) USER MOD Set 4.3: A 51 HIS :FLIP no HD1:sc= -4.97! C(o=-5.2!,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0:sc= 0.657 USER MOD Single : A 34 ASN : amide:sc= -7.94! C(o=-7.9!,f=-14!) USER MOD Single : A 35 ASN : amide:sc= -7.77! C(o=-7.8!,f=-22!) USER MOD Single : A 38 MET CE :methyl -151:sc= -0.166 (180deg=-1.05) USER MOD Single : A 41 HIS : no HE2:sc= 0.913 K(o=0.91,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 54 SER OG : rot 11:sc= 0.554 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 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 167:sc= 0 (180deg=-0.146) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.920 -12.749 7.496 1.00 0.00 N ATOM 2 CA ASP A 1 -13.468 -12.462 7.672 1.00 0.00 C ATOM 3 C ASP A 1 -13.244 -10.949 7.693 1.00 0.00 C ATOM 4 O ASP A 1 -14.178 -10.172 7.729 1.00 0.00 O ATOM 5 CB ASP A 1 -12.683 -13.078 6.513 1.00 0.00 C ATOM 6 CG ASP A 1 -12.746 -14.603 6.610 1.00 0.00 C ATOM 7 OD1 ASP A 1 -13.174 -15.094 7.642 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.366 -15.253 5.650 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.039 -13.545 6.837 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.339 -12.995 8.415 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.396 -11.908 7.113 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.125 -12.892 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.098 -12.746 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.646 -12.743 6.543 1.00 0.00 H new ATOM 15 N SER A 2 -12.009 -10.524 7.671 1.00 0.00 N ATOM 16 CA SER A 2 -11.722 -9.062 7.691 1.00 0.00 C ATOM 17 C SER A 2 -12.323 -8.405 6.448 1.00 0.00 C ATOM 18 O SER A 2 -12.622 -7.227 6.442 1.00 0.00 O ATOM 19 CB SER A 2 -10.208 -8.841 7.705 1.00 0.00 C ATOM 20 OG SER A 2 -9.719 -8.991 9.030 1.00 0.00 O ATOM 0 H SER A 2 -11.187 -11.127 7.640 1.00 0.00 H new ATOM 0 HA SER A 2 -12.163 -8.618 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.719 -9.556 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.972 -7.845 7.329 1.00 0.00 H new ATOM 0 HG SER A 2 -8.923 -8.432 9.150 1.00 0.00 H new ATOM 26 N GLU A 3 -12.507 -9.154 5.395 1.00 0.00 N ATOM 27 CA GLU A 3 -13.095 -8.562 4.161 1.00 0.00 C ATOM 28 C GLU A 3 -14.428 -7.902 4.511 1.00 0.00 C ATOM 29 O GLU A 3 -14.905 -7.029 3.813 1.00 0.00 O ATOM 30 CB GLU A 3 -13.323 -9.660 3.120 1.00 0.00 C ATOM 31 CG GLU A 3 -12.469 -9.375 1.881 1.00 0.00 C ATOM 32 CD GLU A 3 -13.035 -10.141 0.683 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.228 -11.339 0.809 1.00 0.00 O ATOM 34 OE2 GLU A 3 -13.264 -9.517 -0.339 1.00 0.00 O ATOM 0 H GLU A 3 -12.277 -10.146 5.336 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.412 -7.818 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.063 -10.632 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.377 -9.703 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.460 -8.305 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.436 -9.673 2.062 1.00 0.00 H new ATOM 41 N MET A 4 -15.033 -8.309 5.595 1.00 0.00 N ATOM 42 CA MET A 4 -16.332 -7.702 5.998 1.00 0.00 C ATOM 43 C MET A 4 -16.078 -6.299 6.548 1.00 0.00 C ATOM 44 O MET A 4 -16.909 -5.419 6.443 1.00 0.00 O ATOM 45 CB MET A 4 -16.987 -8.559 7.082 1.00 0.00 C ATOM 46 CG MET A 4 -17.351 -9.928 6.504 1.00 0.00 C ATOM 47 SD MET A 4 -18.379 -10.828 7.691 1.00 0.00 S ATOM 48 CE MET A 4 -17.097 -11.102 8.939 1.00 0.00 C ATOM 0 H MET A 4 -14.682 -9.036 6.218 1.00 0.00 H new ATOM 0 HA MET A 4 -16.993 -7.648 5.133 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.307 -8.678 7.926 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.881 -8.064 7.461 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.886 -9.807 5.562 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.446 -10.495 6.286 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.071 -12.158 9.208 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.128 -10.806 8.536 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.319 -10.507 9.825 1.00 0.00 H new ATOM 58 N CYS A 5 -14.931 -6.085 7.134 1.00 0.00 N ATOM 59 CA CYS A 5 -14.619 -4.741 7.690 1.00 0.00 C ATOM 60 C CYS A 5 -14.170 -3.817 6.559 1.00 0.00 C ATOM 61 O CYS A 5 -14.188 -2.608 6.682 1.00 0.00 O ATOM 62 CB CYS A 5 -13.496 -4.863 8.722 1.00 0.00 C ATOM 63 SG CYS A 5 -13.936 -6.110 9.947 1.00 0.00 S ATOM 0 H CYS A 5 -14.198 -6.784 7.251 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.508 -4.330 8.168 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.563 -5.136 8.229 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.330 -3.902 9.209 1.00 0.00 H new ATOM 68 N LYS A 6 -13.765 -4.381 5.455 1.00 0.00 N ATOM 69 CA LYS A 6 -13.313 -3.545 4.309 1.00 0.00 C ATOM 70 C LYS A 6 -14.525 -3.036 3.522 1.00 0.00 C ATOM 71 O LYS A 6 -14.391 -2.518 2.432 1.00 0.00 O ATOM 72 CB LYS A 6 -12.421 -4.389 3.395 1.00 0.00 C ATOM 73 CG LYS A 6 -11.326 -5.052 4.233 1.00 0.00 C ATOM 74 CD LYS A 6 -10.152 -5.442 3.332 1.00 0.00 C ATOM 75 CE LYS A 6 -9.131 -6.241 4.147 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.539 -7.311 3.294 1.00 0.00 N ATOM 0 H LYS A 6 -13.728 -5.388 5.297 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.752 -2.689 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.016 -5.148 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.975 -3.762 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.988 -4.369 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.722 -5.936 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.507 -6.036 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.685 -4.549 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.347 -5.580 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.612 -6.682 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.846 -7.853 3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.292 -7.948 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.066 -6.880 2.475 1.00 0.00 H new ATOM 90 N ASP A 7 -15.709 -3.182 4.058 1.00 0.00 N ATOM 91 CA ASP A 7 -16.918 -2.707 3.327 1.00 0.00 C ATOM 92 C ASP A 7 -17.856 -1.973 4.289 1.00 0.00 C ATOM 93 O ASP A 7 -18.941 -1.568 3.919 1.00 0.00 O ATOM 94 CB ASP A 7 -17.651 -3.905 2.721 1.00 0.00 C ATOM 95 CG ASP A 7 -16.801 -4.515 1.604 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.852 -3.872 1.190 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.116 -5.615 1.182 1.00 0.00 O ATOM 0 H ASP A 7 -15.889 -3.608 4.967 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.610 -2.025 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.848 -4.651 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.617 -3.591 2.326 1.00 0.00 H new ATOM 102 N TYR A 8 -17.458 -1.798 5.521 1.00 0.00 N ATOM 103 CA TYR A 8 -18.346 -1.088 6.487 1.00 0.00 C ATOM 104 C TYR A 8 -17.626 0.149 7.037 1.00 0.00 C ATOM 105 O TYR A 8 -16.421 0.163 7.190 1.00 0.00 O ATOM 106 CB TYR A 8 -18.732 -2.045 7.632 1.00 0.00 C ATOM 107 CG TYR A 8 -17.757 -1.927 8.786 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.405 -2.236 8.595 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.207 -1.507 10.044 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.503 -2.123 9.659 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.305 -1.396 11.110 1.00 0.00 C ATOM 112 CZ TYR A 8 -15.953 -1.704 10.917 1.00 0.00 C ATOM 113 OH TYR A 8 -15.064 -1.592 11.967 1.00 0.00 O ATOM 0 H TYR A 8 -16.564 -2.113 5.898 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.255 -0.764 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.740 -1.817 7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.745 -3.071 7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.058 -2.562 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.250 -1.269 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.460 -2.359 9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.652 -1.073 12.080 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.429 -2.047 12.754 1.00 0.00 H new ATOM 123 N ARG A 9 -18.360 1.182 7.342 1.00 0.00 N ATOM 124 CA ARG A 9 -17.725 2.412 7.889 1.00 0.00 C ATOM 125 C ARG A 9 -18.509 2.871 9.118 1.00 0.00 C ATOM 126 O ARG A 9 -19.706 3.071 9.063 1.00 0.00 O ATOM 127 CB ARG A 9 -17.729 3.508 6.825 1.00 0.00 C ATOM 128 CG ARG A 9 -16.552 3.283 5.876 1.00 0.00 C ATOM 129 CD ARG A 9 -16.371 4.507 4.978 1.00 0.00 C ATOM 130 NE ARG A 9 -15.697 4.095 3.712 1.00 0.00 N ATOM 131 CZ ARG A 9 -14.861 4.905 3.120 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.046 5.638 3.828 1.00 0.00 N ATOM 133 NH2 ARG A 9 -14.838 4.976 1.818 1.00 0.00 N ATOM 0 H ARG A 9 -19.373 1.227 7.236 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.694 2.202 8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.668 3.492 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.652 4.489 7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.642 3.102 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.728 2.396 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.339 4.957 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.777 5.263 5.490 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.890 3.178 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.061 5.579 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.394 6.270 3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.472 4.400 1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.186 5.608 1.353 1.00 0.00 H new ATOM 147 N VAL A 10 -17.847 3.023 10.230 1.00 0.00 N ATOM 148 CA VAL A 10 -18.562 3.452 11.465 1.00 0.00 C ATOM 149 C VAL A 10 -18.181 4.889 11.823 1.00 0.00 C ATOM 150 O VAL A 10 -17.044 5.295 11.690 1.00 0.00 O ATOM 151 CB VAL A 10 -18.181 2.521 12.620 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.770 3.061 13.924 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.737 1.120 12.350 1.00 0.00 C ATOM 0 H VAL A 10 -16.844 2.869 10.338 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.637 3.404 11.290 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.095 2.471 12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.500 2.399 14.747 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.375 4.059 14.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.856 3.110 13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.466 0.457 13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.823 1.169 12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.318 0.735 11.420 1.00 0.00 H new ATOM 163 N LEU A 11 -19.130 5.658 12.283 1.00 0.00 N ATOM 164 CA LEU A 11 -18.841 7.069 12.661 1.00 0.00 C ATOM 165 C LEU A 11 -19.415 7.336 14.056 1.00 0.00 C ATOM 166 O LEU A 11 -20.055 6.485 14.641 1.00 0.00 O ATOM 167 CB LEU A 11 -19.494 8.007 11.643 1.00 0.00 C ATOM 168 CG LEU A 11 -18.411 8.681 10.796 1.00 0.00 C ATOM 169 CD1 LEU A 11 -17.565 7.610 10.102 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.071 9.572 9.740 1.00 0.00 C ATOM 0 H LEU A 11 -20.099 5.367 12.414 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.765 7.242 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.175 7.447 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.089 8.761 12.158 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.773 9.288 11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.794 8.090 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.095 6.974 10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.202 7.003 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.301 10.052 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.709 8.964 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.674 10.335 10.233 1.00 0.00 H new ATOM 182 N PRO A 12 -19.182 8.540 14.600 1.00 0.00 N ATOM 183 CA PRO A 12 -19.679 8.917 15.930 1.00 0.00 C ATOM 184 C PRO A 12 -21.207 9.009 15.961 1.00 0.00 C ATOM 185 O PRO A 12 -21.825 8.892 17.001 1.00 0.00 O ATOM 186 CB PRO A 12 -19.060 10.294 16.166 1.00 0.00 C ATOM 187 CG PRO A 12 -18.802 10.823 14.797 1.00 0.00 C ATOM 188 CD PRO A 12 -18.423 9.631 13.967 1.00 0.00 C ATOM 0 HA PRO A 12 -19.414 8.183 16.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.736 10.944 16.722 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.139 10.222 16.744 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.687 11.315 14.394 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.002 11.563 14.807 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.699 9.762 12.921 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.349 9.445 13.992 1.00 0.00 H new ATOM 196 N ARG A 13 -21.819 9.214 14.828 1.00 0.00 N ATOM 197 CA ARG A 13 -23.306 9.309 14.791 1.00 0.00 C ATOM 198 C ARG A 13 -23.891 7.959 14.376 1.00 0.00 C ATOM 199 O ARG A 13 -24.942 7.558 14.836 1.00 0.00 O ATOM 200 CB ARG A 13 -23.723 10.375 13.777 1.00 0.00 C ATOM 201 CG ARG A 13 -25.241 10.330 13.590 1.00 0.00 C ATOM 202 CD ARG A 13 -25.654 11.346 12.524 1.00 0.00 C ATOM 203 NE ARG A 13 -25.419 10.768 11.171 1.00 0.00 N ATOM 204 CZ ARG A 13 -24.644 11.387 10.322 1.00 0.00 C ATOM 205 NH1 ARG A 13 -24.881 12.632 10.011 1.00 0.00 N ATOM 206 NH2 ARG A 13 -23.633 10.762 9.787 1.00 0.00 N ATOM 0 H ARG A 13 -21.354 9.320 13.926 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.678 9.580 15.779 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.417 11.362 14.123 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -23.223 10.202 12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.552 9.328 13.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -25.741 10.552 14.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -26.706 11.606 12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.082 12.266 12.642 1.00 0.00 H new ATOM 0 HE ARG A 13 -25.864 9.889 10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -25.671 13.121 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.276 13.116 9.348 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.447 9.789 10.032 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.028 11.246 9.124 1.00 0.00 H new ATOM 220 N ILE A 14 -23.218 7.255 13.509 1.00 0.00 N ATOM 221 CA ILE A 14 -23.731 5.931 13.060 1.00 0.00 C ATOM 222 C ILE A 14 -23.394 4.872 14.112 1.00 0.00 C ATOM 223 O ILE A 14 -24.247 4.125 14.549 1.00 0.00 O ATOM 224 CB ILE A 14 -23.076 5.558 11.728 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.593 6.491 10.631 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.423 4.110 11.375 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.774 6.284 9.355 1.00 0.00 C ATOM 0 H ILE A 14 -22.332 7.541 13.091 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.812 5.982 12.931 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.994 5.659 11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.647 6.291 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.521 7.528 10.958 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.956 3.845 10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.056 3.447 12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.505 4.006 11.289 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.143 6.949 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.726 6.506 9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.869 5.249 9.025 1.00 0.00 H new ATOM 239 N GLY A 15 -22.158 4.805 14.525 1.00 0.00 N ATOM 240 CA GLY A 15 -21.770 3.796 15.551 1.00 0.00 C ATOM 241 C GLY A 15 -21.519 2.448 14.873 1.00 0.00 C ATOM 242 O GLY A 15 -21.494 2.344 13.663 1.00 0.00 O ATOM 0 H GLY A 15 -21.401 5.405 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.873 4.123 16.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.559 3.698 16.297 1.00 0.00 H new ATOM 246 N TYR A 16 -21.332 1.413 15.645 1.00 0.00 N ATOM 247 CA TYR A 16 -21.083 0.072 15.046 1.00 0.00 C ATOM 248 C TYR A 16 -22.418 -0.616 14.759 1.00 0.00 C ATOM 249 O TYR A 16 -23.414 -0.354 15.403 1.00 0.00 O ATOM 250 CB TYR A 16 -20.268 -0.781 16.021 1.00 0.00 C ATOM 251 CG TYR A 16 -19.218 -1.546 15.255 1.00 0.00 C ATOM 252 CD1 TYR A 16 -17.971 -0.963 15.004 1.00 0.00 C ATOM 253 CD2 TYR A 16 -19.493 -2.838 14.793 1.00 0.00 C ATOM 254 CE1 TYR A 16 -16.998 -1.672 14.290 1.00 0.00 C ATOM 255 CE2 TYR A 16 -18.521 -3.547 14.079 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.273 -2.963 13.827 1.00 0.00 C ATOM 257 OH TYR A 16 -16.313 -3.660 13.123 1.00 0.00 O ATOM 0 H TYR A 16 -21.341 1.438 16.665 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.528 0.189 14.115 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.797 -0.146 16.772 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.922 -1.472 16.553 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.759 0.034 15.361 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.455 -3.288 14.988 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -16.035 -1.222 14.097 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.733 -4.544 13.722 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.363 -3.418 12.175 1.00 0.00 H new ATOM 267 N LEU A 17 -22.448 -1.494 13.792 1.00 0.00 N ATOM 268 CA LEU A 17 -23.723 -2.193 13.466 1.00 0.00 C ATOM 269 C LEU A 17 -23.489 -3.705 13.409 1.00 0.00 C ATOM 270 O LEU A 17 -22.748 -4.199 12.582 1.00 0.00 O ATOM 271 CB LEU A 17 -24.238 -1.707 12.110 1.00 0.00 C ATOM 272 CG LEU A 17 -25.599 -2.345 11.824 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.507 -2.178 13.045 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.241 -1.664 10.614 1.00 0.00 C ATOM 0 H LEU A 17 -21.648 -1.756 13.216 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.460 -1.973 14.239 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.326 -0.621 12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.529 -1.969 11.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.464 -3.406 11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.477 -2.632 12.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.051 -2.665 13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.640 -1.117 13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.210 -2.120 10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.376 -0.603 10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.595 -1.784 9.744 1.00 0.00 H new ATOM 286 N CYS A 18 -24.126 -4.442 14.278 1.00 0.00 N ATOM 287 CA CYS A 18 -23.957 -5.923 14.277 1.00 0.00 C ATOM 288 C CYS A 18 -25.335 -6.580 14.386 1.00 0.00 C ATOM 289 O CYS A 18 -26.279 -5.982 14.865 1.00 0.00 O ATOM 290 CB CYS A 18 -23.097 -6.348 15.470 1.00 0.00 C ATOM 291 SG CYS A 18 -21.459 -5.587 15.332 1.00 0.00 S ATOM 0 H CYS A 18 -24.759 -4.080 14.992 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.467 -6.234 13.354 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.574 -6.045 16.402 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.005 -7.434 15.497 1.00 0.00 H new ATOM 296 N PRO A 19 -25.449 -7.834 13.932 1.00 0.00 N ATOM 297 CA PRO A 19 -26.711 -8.581 13.976 1.00 0.00 C ATOM 298 C PRO A 19 -27.090 -8.967 15.408 1.00 0.00 C ATOM 299 O PRO A 19 -26.292 -8.863 16.319 1.00 0.00 O ATOM 300 CB PRO A 19 -26.414 -9.835 13.154 1.00 0.00 C ATOM 301 CG PRO A 19 -24.935 -10.004 13.246 1.00 0.00 C ATOM 302 CD PRO A 19 -24.355 -8.621 13.343 1.00 0.00 C ATOM 0 HA PRO A 19 -27.548 -7.996 13.594 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.938 -10.704 13.553 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.736 -9.716 12.119 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.666 -10.600 14.118 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.549 -10.527 12.371 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.464 -8.602 13.970 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.065 -8.237 12.365 1.00 0.00 H new ATOM 310 N LYS A 20 -28.299 -9.407 15.614 1.00 0.00 N ATOM 311 CA LYS A 20 -28.726 -9.793 16.988 1.00 0.00 C ATOM 312 C LYS A 20 -28.513 -11.295 17.188 1.00 0.00 C ATOM 313 O LYS A 20 -28.671 -11.813 18.275 1.00 0.00 O ATOM 314 CB LYS A 20 -30.205 -9.452 17.178 1.00 0.00 C ATOM 315 CG LYS A 20 -30.397 -7.940 17.044 1.00 0.00 C ATOM 316 CD LYS A 20 -31.857 -7.581 17.330 1.00 0.00 C ATOM 317 CE LYS A 20 -32.053 -6.074 17.155 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.501 -5.744 17.284 1.00 0.00 N ATOM 0 H LYS A 20 -29.010 -9.516 14.891 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.133 -9.245 17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.809 -9.974 16.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.544 -9.788 18.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.740 -7.417 17.739 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.122 -7.616 16.040 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.516 -8.126 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.124 -7.878 18.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.477 -5.532 17.905 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.683 -5.759 16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.636 -4.720 17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.039 -6.251 16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.840 -6.031 18.224 1.00 0.00 H new ATOM 332 N ASP A 21 -28.149 -11.997 16.151 1.00 0.00 N ATOM 333 CA ASP A 21 -27.922 -13.463 16.290 1.00 0.00 C ATOM 334 C ASP A 21 -26.599 -13.698 17.022 1.00 0.00 C ATOM 335 O ASP A 21 -25.608 -13.046 16.759 1.00 0.00 O ATOM 336 CB ASP A 21 -27.862 -14.105 14.902 1.00 0.00 C ATOM 337 CG ASP A 21 -29.206 -13.918 14.197 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.163 -13.571 14.870 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.257 -14.126 12.996 1.00 0.00 O ATOM 0 H ASP A 21 -27.999 -11.620 15.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.739 -13.910 16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.064 -13.652 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.630 -15.166 14.990 1.00 0.00 H new ATOM 344 N LEU A 22 -26.576 -14.621 17.945 1.00 0.00 N ATOM 345 CA LEU A 22 -25.317 -14.889 18.697 1.00 0.00 C ATOM 346 C LEU A 22 -24.534 -16.005 18.005 1.00 0.00 C ATOM 347 O LEU A 22 -25.006 -17.117 17.870 1.00 0.00 O ATOM 348 CB LEU A 22 -25.661 -15.317 20.127 1.00 0.00 C ATOM 349 CG LEU A 22 -24.388 -15.362 20.977 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.539 -16.568 20.569 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.583 -14.077 20.765 1.00 0.00 C ATOM 0 H LEU A 22 -27.373 -15.200 18.210 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.710 -13.984 18.723 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.376 -14.619 20.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.138 -16.297 20.118 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.661 -15.450 22.029 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.634 -16.598 21.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.110 -17.484 20.724 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.268 -16.483 19.517 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.677 -14.111 21.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.313 -13.986 19.713 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.185 -13.218 21.060 1.00 0.00 H new ATOM 363 N LYS A 23 -23.337 -15.722 17.570 1.00 0.00 N ATOM 364 CA LYS A 23 -22.524 -16.775 16.894 1.00 0.00 C ATOM 365 C LYS A 23 -21.070 -16.672 17.360 1.00 0.00 C ATOM 366 O LYS A 23 -20.338 -15.795 16.947 1.00 0.00 O ATOM 367 CB LYS A 23 -22.584 -16.590 15.373 1.00 0.00 C ATOM 368 CG LYS A 23 -23.892 -15.895 14.985 1.00 0.00 C ATOM 369 CD LYS A 23 -24.091 -15.992 13.472 1.00 0.00 C ATOM 370 CE LYS A 23 -25.298 -15.147 13.060 1.00 0.00 C ATOM 371 NZ LYS A 23 -25.961 -15.770 11.880 1.00 0.00 N ATOM 0 H LYS A 23 -22.887 -14.810 17.652 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.926 -17.755 17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -21.733 -15.998 15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.515 -17.558 14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.731 -16.359 15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.866 -14.850 15.293 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.197 -15.645 12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.245 -17.031 13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -26.002 -15.071 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.980 -14.133 12.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.782 -15.196 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.287 -15.820 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -26.278 -16.730 12.126 1.00 0.00 H new ATOM 385 N PRO A 24 -20.651 -17.593 18.241 1.00 0.00 N ATOM 386 CA PRO A 24 -19.283 -17.620 18.779 1.00 0.00 C ATOM 387 C PRO A 24 -18.253 -17.963 17.700 1.00 0.00 C ATOM 388 O PRO A 24 -18.290 -19.023 17.109 1.00 0.00 O ATOM 389 CB PRO A 24 -19.335 -18.730 19.832 1.00 0.00 C ATOM 390 CG PRO A 24 -20.460 -19.604 19.395 1.00 0.00 C ATOM 391 CD PRO A 24 -21.478 -18.687 18.780 1.00 0.00 C ATOM 0 HA PRO A 24 -18.980 -16.652 19.177 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.396 -19.282 19.874 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.511 -18.324 20.828 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.120 -20.349 18.675 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.883 -20.147 20.240 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.050 -19.185 17.997 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.195 -18.326 19.518 1.00 0.00 H new ATOM 399 N VAL A 25 -17.338 -17.070 17.433 1.00 0.00 N ATOM 400 CA VAL A 25 -16.312 -17.347 16.387 1.00 0.00 C ATOM 401 C VAL A 25 -14.931 -17.479 17.033 1.00 0.00 C ATOM 402 O VAL A 25 -14.679 -16.950 18.097 1.00 0.00 O ATOM 403 CB VAL A 25 -16.285 -16.197 15.378 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.673 -16.019 14.763 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.873 -14.907 16.091 1.00 0.00 C ATOM 0 H VAL A 25 -17.257 -16.163 17.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.566 -18.278 15.879 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.568 -16.424 14.589 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.650 -15.199 14.045 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.967 -16.938 14.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.393 -15.793 15.549 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.853 -14.086 15.375 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.590 -14.682 16.880 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.882 -15.033 16.527 1.00 0.00 H new ATOM 415 N CYS A 26 -14.033 -18.177 16.393 1.00 0.00 N ATOM 416 CA CYS A 26 -12.664 -18.339 16.962 1.00 0.00 C ATOM 417 C CYS A 26 -11.702 -17.387 16.247 1.00 0.00 C ATOM 418 O CYS A 26 -11.382 -17.573 15.092 1.00 0.00 O ATOM 419 CB CYS A 26 -12.196 -19.783 16.760 1.00 0.00 C ATOM 420 SG CYS A 26 -10.482 -19.951 17.322 1.00 0.00 S ATOM 0 H CYS A 26 -14.188 -18.643 15.499 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.682 -18.108 18.027 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.840 -20.465 17.315 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.273 -20.057 15.708 1.00 0.00 H new ATOM 425 N GLY A 27 -11.242 -16.365 16.918 1.00 0.00 N ATOM 426 CA GLY A 27 -10.309 -15.400 16.267 1.00 0.00 C ATOM 427 C GLY A 27 -9.016 -16.113 15.861 1.00 0.00 C ATOM 428 O GLY A 27 -8.517 -16.968 16.567 1.00 0.00 O ATOM 0 H GLY A 27 -11.472 -16.157 17.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.782 -14.960 15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.083 -14.582 16.951 1.00 0.00 H new ATOM 432 N ASP A 28 -8.465 -15.759 14.730 1.00 0.00 N ATOM 433 CA ASP A 28 -7.201 -16.407 14.278 1.00 0.00 C ATOM 434 C ASP A 28 -6.048 -15.945 15.168 1.00 0.00 C ATOM 435 O ASP A 28 -4.957 -16.478 15.116 1.00 0.00 O ATOM 436 CB ASP A 28 -6.916 -16.012 12.828 1.00 0.00 C ATOM 437 CG ASP A 28 -6.726 -14.497 12.741 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.701 -13.861 13.782 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.609 -13.997 11.634 1.00 0.00 O ATOM 0 H ASP A 28 -8.837 -15.048 14.100 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.302 -17.490 14.346 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.022 -16.523 12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.740 -16.324 12.186 1.00 0.00 H new ATOM 444 N ASP A 29 -6.280 -14.957 15.989 1.00 0.00 N ATOM 445 CA ASP A 29 -5.197 -14.465 16.884 1.00 0.00 C ATOM 446 C ASP A 29 -5.166 -15.315 18.155 1.00 0.00 C ATOM 447 O ASP A 29 -4.445 -15.025 19.089 1.00 0.00 O ATOM 448 CB ASP A 29 -5.469 -13.005 17.254 1.00 0.00 C ATOM 449 CG ASP A 29 -6.815 -12.906 17.977 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.391 -13.943 18.260 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.245 -11.794 18.233 1.00 0.00 O ATOM 0 H ASP A 29 -7.172 -14.470 16.078 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.237 -14.538 16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.672 -12.626 17.893 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.479 -12.387 16.356 1.00 0.00 H new ATOM 456 N GLY A 30 -5.947 -16.361 18.201 1.00 0.00 N ATOM 457 CA GLY A 30 -5.965 -17.224 19.414 1.00 0.00 C ATOM 458 C GLY A 30 -7.037 -16.713 20.379 1.00 0.00 C ATOM 459 O GLY A 30 -7.126 -17.148 21.509 1.00 0.00 O ATOM 0 H GLY A 30 -6.573 -16.654 17.450 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.171 -18.258 19.137 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.988 -17.213 19.898 1.00 0.00 H new ATOM 463 N GLN A 31 -7.851 -15.791 19.939 1.00 0.00 N ATOM 464 CA GLN A 31 -8.916 -15.250 20.828 1.00 0.00 C ATOM 465 C GLN A 31 -10.285 -15.701 20.318 1.00 0.00 C ATOM 466 O GLN A 31 -10.414 -16.210 19.223 1.00 0.00 O ATOM 467 CB GLN A 31 -8.856 -13.722 20.825 1.00 0.00 C ATOM 468 CG GLN A 31 -7.482 -13.259 21.312 1.00 0.00 C ATOM 469 CD GLN A 31 -7.370 -11.742 21.153 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.164 -11.132 20.462 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.413 -11.101 21.765 1.00 0.00 N ATOM 0 H GLN A 31 -7.823 -15.390 19.002 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.763 -15.621 21.842 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.043 -13.343 19.820 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.636 -13.317 21.469 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.342 -13.537 22.356 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.696 -13.754 20.742 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.747 -11.611 22.345 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.331 -10.089 21.664 1.00 0.00 H new ATOM 480 N THR A 32 -11.310 -15.516 21.103 1.00 0.00 N ATOM 481 CA THR A 32 -12.670 -15.932 20.663 1.00 0.00 C ATOM 482 C THR A 32 -13.636 -14.755 20.816 1.00 0.00 C ATOM 483 O THR A 32 -13.693 -14.117 21.849 1.00 0.00 O ATOM 484 CB THR A 32 -13.149 -17.100 21.529 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.356 -18.246 21.252 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.615 -17.402 21.215 1.00 0.00 C ATOM 0 H THR A 32 -11.264 -15.094 22.031 1.00 0.00 H new ATOM 0 HA THR A 32 -12.637 -16.242 19.619 1.00 0.00 H new ATOM 0 HB THR A 32 -13.053 -16.837 22.582 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.687 -18.024 20.571 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.955 -18.234 21.832 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.221 -16.521 21.427 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.715 -17.667 20.162 1.00 0.00 H new ATOM 494 N TYR A 33 -14.396 -14.461 19.797 1.00 0.00 N ATOM 495 CA TYR A 33 -15.357 -13.328 19.889 1.00 0.00 C ATOM 496 C TYR A 33 -16.781 -13.880 19.938 1.00 0.00 C ATOM 497 O TYR A 33 -17.202 -14.621 19.072 1.00 0.00 O ATOM 498 CB TYR A 33 -15.191 -12.418 18.670 1.00 0.00 C ATOM 499 CG TYR A 33 -13.763 -11.931 18.607 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.756 -12.777 18.131 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.444 -10.633 19.029 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.430 -12.328 18.075 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.120 -10.184 18.972 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.113 -11.031 18.495 1.00 0.00 C ATOM 505 OH TYR A 33 -9.807 -10.588 18.439 1.00 0.00 O ATOM 0 H TYR A 33 -14.392 -14.957 18.906 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.162 -12.751 20.793 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.444 -12.960 17.759 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.874 -11.571 18.737 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.001 -13.777 17.806 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.220 -9.979 19.398 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.653 -12.982 17.708 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.875 -9.183 19.296 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.413 -10.618 19.336 1.00 0.00 H new ATOM 515 N ASN A 34 -17.524 -13.535 20.954 1.00 0.00 N ATOM 516 CA ASN A 34 -18.916 -14.049 21.069 1.00 0.00 C ATOM 517 C ASN A 34 -19.655 -13.865 19.741 1.00 0.00 C ATOM 518 O ASN A 34 -19.813 -14.795 18.977 1.00 0.00 O ATOM 519 CB ASN A 34 -19.648 -13.296 22.185 1.00 0.00 C ATOM 520 CG ASN A 34 -20.971 -13.998 22.492 1.00 0.00 C ATOM 521 OD1 ASN A 34 -21.308 -14.985 21.868 1.00 0.00 O ATOM 522 ND2 ASN A 34 -21.741 -13.528 23.436 1.00 0.00 N ATOM 0 H ASN A 34 -17.226 -12.918 21.710 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.888 -15.112 21.309 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.028 -13.259 23.080 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -19.833 -12.265 21.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -22.625 -13.989 23.650 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -21.458 -12.700 23.960 1.00 0.00 H new ATOM 529 N ASN A 35 -20.115 -12.682 19.460 1.00 0.00 N ATOM 530 CA ASN A 35 -20.847 -12.451 18.182 1.00 0.00 C ATOM 531 C ASN A 35 -19.843 -12.259 17.042 1.00 0.00 C ATOM 532 O ASN A 35 -18.742 -11.785 17.245 1.00 0.00 O ATOM 533 CB ASN A 35 -21.735 -11.210 18.338 1.00 0.00 C ATOM 534 CG ASN A 35 -22.115 -10.644 16.969 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.262 -10.225 16.213 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.372 -10.608 16.620 1.00 0.00 N ATOM 0 H ASN A 35 -20.017 -11.862 20.059 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.473 -13.311 17.945 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.636 -11.469 18.893 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.210 -10.451 18.918 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.638 -10.228 15.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.088 -10.960 17.255 1.00 0.00 H new ATOM 543 N PRO A 36 -20.233 -12.641 15.813 1.00 0.00 N ATOM 544 CA PRO A 36 -19.371 -12.517 14.627 1.00 0.00 C ATOM 545 C PRO A 36 -19.039 -11.056 14.308 1.00 0.00 C ATOM 546 O PRO A 36 -17.886 -10.680 14.227 1.00 0.00 O ATOM 547 CB PRO A 36 -20.211 -13.138 13.509 1.00 0.00 C ATOM 548 CG PRO A 36 -21.615 -13.006 13.990 1.00 0.00 C ATOM 549 CD PRO A 36 -21.545 -13.218 15.473 1.00 0.00 C ATOM 0 HA PRO A 36 -18.406 -13.004 14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -20.063 -12.616 12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.943 -14.181 13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.022 -12.023 13.752 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.264 -13.743 13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.358 -12.713 15.994 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.605 -14.274 15.736 1.00 0.00 H new ATOM 557 N CYS A 37 -20.031 -10.224 14.139 1.00 0.00 N ATOM 558 CA CYS A 37 -19.746 -8.794 13.845 1.00 0.00 C ATOM 559 C CYS A 37 -19.012 -8.189 15.041 1.00 0.00 C ATOM 560 O CYS A 37 -18.225 -7.273 14.903 1.00 0.00 O ATOM 561 CB CYS A 37 -21.059 -8.047 13.619 1.00 0.00 C ATOM 562 SG CYS A 37 -20.744 -6.266 13.568 1.00 0.00 S ATOM 0 H CYS A 37 -21.019 -10.472 14.192 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.131 -8.712 12.949 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.518 -8.372 12.685 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.763 -8.279 14.418 1.00 0.00 H new ATOM 567 N MET A 38 -19.256 -8.708 16.214 1.00 0.00 N ATOM 568 CA MET A 38 -18.567 -8.180 17.422 1.00 0.00 C ATOM 569 C MET A 38 -17.063 -8.376 17.246 1.00 0.00 C ATOM 570 O MET A 38 -16.260 -7.752 17.911 1.00 0.00 O ATOM 571 CB MET A 38 -19.044 -8.945 18.659 1.00 0.00 C ATOM 572 CG MET A 38 -20.289 -8.265 19.232 1.00 0.00 C ATOM 573 SD MET A 38 -19.859 -6.601 19.802 1.00 0.00 S ATOM 574 CE MET A 38 -18.859 -7.100 21.225 1.00 0.00 C ATOM 0 H MET A 38 -19.904 -9.476 16.386 1.00 0.00 H new ATOM 0 HA MET A 38 -18.793 -7.122 17.550 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.270 -9.978 18.396 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.254 -8.973 19.409 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.069 -8.211 18.472 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.689 -8.852 20.059 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.912 -6.330 21.995 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.239 -8.040 21.625 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.823 -7.231 20.914 1.00 0.00 H new ATOM 584 N LEU A 39 -16.680 -9.232 16.338 1.00 0.00 N ATOM 585 CA LEU A 39 -15.234 -9.466 16.096 1.00 0.00 C ATOM 586 C LEU A 39 -14.639 -8.196 15.505 1.00 0.00 C ATOM 587 O LEU A 39 -13.743 -7.594 16.064 1.00 0.00 O ATOM 588 CB LEU A 39 -15.071 -10.621 15.108 1.00 0.00 C ATOM 589 CG LEU A 39 -13.617 -10.685 14.634 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.719 -11.107 15.797 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.495 -11.703 13.498 1.00 0.00 C ATOM 0 H LEU A 39 -17.311 -9.780 15.753 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.725 -9.718 17.026 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.352 -11.562 15.582 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.737 -10.482 14.256 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.308 -9.703 14.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.684 -11.153 15.459 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.805 -10.381 16.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.027 -12.089 16.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.460 -11.749 13.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.804 -12.685 13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.134 -11.401 12.668 1.00 0.00 H new ATOM 603 N CYS A 40 -15.149 -7.768 14.387 1.00 0.00 N ATOM 604 CA CYS A 40 -14.633 -6.519 13.772 1.00 0.00 C ATOM 605 C CYS A 40 -14.749 -5.400 14.804 1.00 0.00 C ATOM 606 O CYS A 40 -13.990 -4.451 14.804 1.00 0.00 O ATOM 607 CB CYS A 40 -15.461 -6.176 12.538 1.00 0.00 C ATOM 608 SG CYS A 40 -14.544 -5.007 11.517 1.00 0.00 S ATOM 0 H CYS A 40 -15.900 -8.229 13.873 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.593 -6.645 13.470 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.681 -7.080 11.970 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.418 -5.746 12.835 1.00 0.00 H new ATOM 613 N HIS A 41 -15.691 -5.521 15.701 1.00 0.00 N ATOM 614 CA HIS A 41 -15.858 -4.486 16.756 1.00 0.00 C ATOM 615 C HIS A 41 -14.601 -4.471 17.619 1.00 0.00 C ATOM 616 O HIS A 41 -13.896 -3.484 17.693 1.00 0.00 O ATOM 617 CB HIS A 41 -17.068 -4.839 17.621 1.00 0.00 C ATOM 618 CG HIS A 41 -17.444 -3.658 18.473 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.686 -2.404 17.935 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.628 -3.527 19.827 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.001 -1.581 18.952 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.980 -2.215 20.128 1.00 0.00 N ATOM 0 H HIS A 41 -16.353 -6.296 15.747 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.013 -3.506 16.305 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.908 -5.125 16.988 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.838 -5.697 18.253 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.635 -2.151 16.948 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.516 -4.322 20.549 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.242 -0.535 18.832 1.00 0.00 H new ATOM 630 N GLU A 42 -14.300 -5.568 18.260 1.00 0.00 N ATOM 631 CA GLU A 42 -13.074 -5.620 19.097 1.00 0.00 C ATOM 632 C GLU A 42 -11.879 -5.285 18.208 1.00 0.00 C ATOM 633 O GLU A 42 -10.831 -4.884 18.674 1.00 0.00 O ATOM 634 CB GLU A 42 -12.907 -7.026 19.675 1.00 0.00 C ATOM 635 CG GLU A 42 -14.019 -7.294 20.689 1.00 0.00 C ATOM 636 CD GLU A 42 -13.659 -8.523 21.527 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.499 -8.900 21.522 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.550 -9.068 22.158 1.00 0.00 O ATOM 0 H GLU A 42 -14.850 -6.427 18.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.145 -4.908 19.919 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.943 -7.766 18.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.932 -7.121 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.154 -6.427 21.335 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.965 -7.457 20.173 1.00 0.00 H new ATOM 645 N ASN A 43 -12.042 -5.441 16.921 1.00 0.00 N ATOM 646 CA ASN A 43 -10.931 -5.128 15.982 1.00 0.00 C ATOM 647 C ASN A 43 -10.885 -3.618 15.754 1.00 0.00 C ATOM 648 O ASN A 43 -9.851 -3.054 15.455 1.00 0.00 O ATOM 649 CB ASN A 43 -11.176 -5.835 14.648 1.00 0.00 C ATOM 650 CG ASN A 43 -11.067 -7.349 14.842 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.463 -7.811 15.790 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.631 -8.146 13.977 1.00 0.00 N ATOM 0 H ASN A 43 -12.900 -5.773 16.481 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.985 -5.469 16.403 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.163 -5.577 14.264 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.449 -5.500 13.908 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.565 -9.157 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.138 -7.758 13.181 1.00 0.00 H new ATOM 659 N LEU A 44 -12.000 -2.956 15.900 1.00 0.00 N ATOM 660 CA LEU A 44 -12.021 -1.480 15.701 1.00 0.00 C ATOM 661 C LEU A 44 -11.291 -0.817 16.869 1.00 0.00 C ATOM 662 O LEU A 44 -10.659 0.210 16.721 1.00 0.00 O ATOM 663 CB LEU A 44 -13.472 -0.994 15.653 1.00 0.00 C ATOM 664 CG LEU A 44 -13.505 0.498 15.313 1.00 0.00 C ATOM 665 CD1 LEU A 44 -13.045 0.704 13.867 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.932 1.024 15.473 1.00 0.00 C ATOM 0 H LEU A 44 -12.897 -3.374 16.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.528 -1.221 14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.031 -1.559 14.907 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.956 -1.169 16.614 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.839 1.039 15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.069 1.767 13.626 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.028 0.328 13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.710 0.164 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.957 2.087 15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.597 0.483 14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.260 0.878 16.502 1.00 0.00 H new ATOM 678 N ILE A 45 -11.367 -1.408 18.031 1.00 0.00 N ATOM 679 CA ILE A 45 -10.674 -0.829 19.214 1.00 0.00 C ATOM 680 C ILE A 45 -9.194 -1.216 19.169 1.00 0.00 C ATOM 681 O ILE A 45 -8.320 -0.396 19.363 1.00 0.00 O ATOM 682 CB ILE A 45 -11.308 -1.379 20.494 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.825 -1.479 20.313 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.997 -0.440 21.662 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.375 -0.126 19.859 1.00 0.00 C ATOM 0 H ILE A 45 -11.882 -2.270 18.211 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.769 0.257 19.201 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.901 -2.368 20.703 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.064 -2.246 19.577 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.295 -1.779 21.250 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.448 -0.831 22.574 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.917 -0.368 21.794 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.403 0.549 21.452 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.455 -0.197 19.730 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.148 0.630 20.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.914 0.155 18.912 1.00 0.00 H new ATOM 697 N ARG A 46 -8.907 -2.465 18.911 1.00 0.00 N ATOM 698 CA ARG A 46 -7.487 -2.911 18.848 1.00 0.00 C ATOM 699 C ARG A 46 -6.900 -2.537 17.486 1.00 0.00 C ATOM 700 O ARG A 46 -5.747 -2.174 17.372 1.00 0.00 O ATOM 701 CB ARG A 46 -7.418 -4.429 19.028 1.00 0.00 C ATOM 702 CG ARG A 46 -7.897 -4.803 20.431 1.00 0.00 C ATOM 703 CD ARG A 46 -7.692 -6.304 20.652 1.00 0.00 C ATOM 704 NE ARG A 46 -8.359 -6.718 21.918 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.650 -7.215 22.893 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.824 -8.456 23.260 1.00 0.00 N ATOM 707 NH2 ARG A 46 -6.766 -6.474 23.501 1.00 0.00 N ATOM 0 H ARG A 46 -9.598 -3.196 18.741 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.918 -2.425 19.641 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.037 -4.922 18.278 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.396 -4.777 18.877 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.345 -4.235 21.180 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.950 -4.547 20.549 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.103 -6.865 19.812 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.627 -6.533 20.698 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.368 -6.613 22.022 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.514 -9.037 22.784 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.269 -8.845 24.023 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.629 -5.505 23.214 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.212 -6.863 24.264 1.00 0.00 H new ATOM 721 N GLN A 47 -7.691 -2.629 16.454 1.00 0.00 N ATOM 722 CA GLN A 47 -7.194 -2.283 15.093 1.00 0.00 C ATOM 723 C GLN A 47 -6.081 -3.254 14.693 1.00 0.00 C ATOM 724 O GLN A 47 -5.097 -2.871 14.090 1.00 0.00 O ATOM 725 CB GLN A 47 -6.655 -0.851 15.091 1.00 0.00 C ATOM 726 CG GLN A 47 -7.792 0.117 15.424 1.00 0.00 C ATOM 727 CD GLN A 47 -7.257 1.550 15.449 1.00 0.00 C ATOM 728 OE1 GLN A 47 -6.061 1.764 15.468 1.00 0.00 O ATOM 729 NE2 GLN A 47 -8.098 2.548 15.450 1.00 0.00 N ATOM 0 H GLN A 47 -8.665 -2.930 16.495 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.013 -2.359 14.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.852 -0.751 15.821 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.231 -0.611 14.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.587 0.028 14.684 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.227 -0.136 16.391 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.102 2.369 15.434 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.751 3.507 15.467 1.00 0.00 H new ATOM 738 N THR A 48 -6.232 -4.509 15.016 1.00 0.00 N ATOM 739 CA THR A 48 -5.187 -5.506 14.649 1.00 0.00 C ATOM 740 C THR A 48 -5.647 -6.297 13.421 1.00 0.00 C ATOM 741 O THR A 48 -5.005 -7.239 13.003 1.00 0.00 O ATOM 742 CB THR A 48 -4.959 -6.464 15.820 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.116 -7.269 16.001 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.687 -5.663 17.094 1.00 0.00 C ATOM 0 H THR A 48 -7.035 -4.887 15.519 1.00 0.00 H new ATOM 0 HA THR A 48 -4.255 -4.989 14.420 1.00 0.00 H new ATOM 0 HB THR A 48 -4.101 -7.101 15.607 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.972 -7.885 16.750 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.525 -6.348 17.927 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.799 -5.046 16.953 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.543 -5.024 17.311 1.00 0.00 H new ATOM 752 N ASN A 49 -6.754 -5.919 12.840 1.00 0.00 N ATOM 753 CA ASN A 49 -7.254 -6.648 11.640 1.00 0.00 C ATOM 754 C ASN A 49 -7.340 -8.145 11.945 1.00 0.00 C ATOM 755 O ASN A 49 -6.741 -8.961 11.272 1.00 0.00 O ATOM 756 CB ASN A 49 -6.292 -6.420 10.471 1.00 0.00 C ATOM 757 CG ASN A 49 -6.979 -6.809 9.161 1.00 0.00 C ATOM 758 OD1 ASN A 49 -8.188 -6.923 9.105 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.254 -7.020 8.096 1.00 0.00 N ATOM 0 H ASN A 49 -7.333 -5.137 13.145 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.244 -6.277 11.377 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.986 -5.374 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.388 -7.013 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.702 -7.280 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.240 -6.924 8.142 1.00 0.00 H new ATOM 766 N THR A 50 -8.078 -8.514 12.956 1.00 0.00 N ATOM 767 CA THR A 50 -8.201 -9.959 13.301 1.00 0.00 C ATOM 768 C THR A 50 -9.218 -10.625 12.371 1.00 0.00 C ATOM 769 O THR A 50 -10.236 -10.052 12.036 1.00 0.00 O ATOM 770 CB THR A 50 -8.671 -10.101 14.751 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.776 -9.403 15.608 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.702 -11.581 15.137 1.00 0.00 C ATOM 0 H THR A 50 -8.601 -7.878 13.558 1.00 0.00 H new ATOM 0 HA THR A 50 -7.230 -10.441 13.183 1.00 0.00 H new ATOM 0 HB THR A 50 -9.672 -9.682 14.852 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.370 -8.657 15.119 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.037 -11.681 16.170 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.389 -12.114 14.480 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.702 -12.004 15.037 1.00 0.00 H new ATOM 780 N HIS A 51 -8.952 -11.834 11.957 1.00 0.00 N ATOM 781 CA HIS A 51 -9.906 -12.537 11.053 1.00 0.00 C ATOM 782 C HIS A 51 -10.555 -13.698 11.811 1.00 0.00 C ATOM 783 O HIS A 51 -10.258 -13.940 12.964 1.00 0.00 O ATOM 784 CB HIS A 51 -9.152 -13.077 9.836 1.00 0.00 C ATOM 785 CG HIS A 51 -8.283 -11.990 9.265 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.379 -11.247 8.114 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 -7.137 -11.546 9.906 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 -7.312 -10.357 8.040 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 -6.594 -10.579 9.145 1.00 0.00 N flip ATOM 0 H HIS A 51 -8.117 -12.364 12.205 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.677 -11.842 10.720 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.541 -13.933 10.123 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.858 -13.427 9.083 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.750 -11.910 10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.108 -9.641 7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.739 -10.077 9.382 1.00 0.00 H new ATOM 797 N ILE A 52 -11.442 -14.416 11.178 1.00 0.00 N ATOM 798 CA ILE A 52 -12.106 -15.555 11.874 1.00 0.00 C ATOM 799 C ILE A 52 -11.300 -16.836 11.656 1.00 0.00 C ATOM 800 O ILE A 52 -10.991 -17.211 10.542 1.00 0.00 O ATOM 801 CB ILE A 52 -13.519 -15.746 11.323 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.343 -14.481 11.579 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.177 -16.939 12.023 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.826 -14.778 11.338 1.00 0.00 C ATOM 0 H ILE A 52 -11.735 -14.264 10.213 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.159 -15.336 12.941 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.472 -15.934 10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.192 -14.137 12.602 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.011 -13.678 10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.185 -17.079 11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.589 -17.838 11.839 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.226 -16.750 13.095 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.412 -13.877 11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.969 -15.102 10.307 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.154 -15.567 12.015 1.00 0.00 H new ATOM 816 N ARG A 53 -10.963 -17.510 12.719 1.00 0.00 N ATOM 817 CA ARG A 53 -10.183 -18.774 12.602 1.00 0.00 C ATOM 818 C ARG A 53 -11.126 -19.916 12.233 1.00 0.00 C ATOM 819 O ARG A 53 -10.980 -20.557 11.211 1.00 0.00 O ATOM 820 CB ARG A 53 -9.527 -19.084 13.947 1.00 0.00 C ATOM 821 CG ARG A 53 -8.574 -20.270 13.792 1.00 0.00 C ATOM 822 CD ARG A 53 -7.648 -20.342 15.008 1.00 0.00 C ATOM 823 NE ARG A 53 -6.774 -21.543 14.895 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.599 -22.323 15.928 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.029 -23.554 15.897 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.994 -21.869 16.991 1.00 0.00 N ATOM 0 H ARG A 53 -11.197 -17.237 13.674 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.419 -18.664 11.833 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.982 -18.211 14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.290 -19.313 14.691 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.141 -21.196 13.698 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.987 -20.162 12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.039 -19.440 15.069 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.236 -20.392 15.924 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.312 -21.756 14.011 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.502 -23.908 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.892 -24.163 16.704 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.658 -20.906 17.015 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.857 -22.477 17.798 1.00 0.00 H new ATOM 840 N SER A 54 -12.093 -20.169 13.064 1.00 0.00 N ATOM 841 CA SER A 54 -13.060 -21.264 12.786 1.00 0.00 C ATOM 842 C SER A 54 -14.380 -20.951 13.492 1.00 0.00 C ATOM 843 O SER A 54 -14.399 -20.431 14.589 1.00 0.00 O ATOM 844 CB SER A 54 -12.501 -22.587 13.314 1.00 0.00 C ATOM 845 OG SER A 54 -11.477 -23.049 12.445 1.00 0.00 O ATOM 0 H SER A 54 -12.257 -19.660 13.932 1.00 0.00 H new ATOM 0 HA SER A 54 -13.225 -21.347 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.105 -22.451 14.320 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.297 -23.329 13.382 1.00 0.00 H new ATOM 0 HG SER A 54 -11.240 -22.339 11.813 1.00 0.00 H new ATOM 851 N THR A 55 -15.484 -21.257 12.872 1.00 0.00 N ATOM 852 CA THR A 55 -16.796 -20.968 13.515 1.00 0.00 C ATOM 853 C THR A 55 -16.827 -21.585 14.914 1.00 0.00 C ATOM 854 O THR A 55 -16.297 -22.654 15.147 1.00 0.00 O ATOM 855 CB THR A 55 -17.923 -21.561 12.666 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.907 -22.978 12.784 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.721 -21.168 11.202 1.00 0.00 C ATOM 0 H THR A 55 -15.536 -21.693 11.951 1.00 0.00 H new ATOM 0 HA THR A 55 -16.932 -19.889 13.593 1.00 0.00 H new ATOM 0 HB THR A 55 -18.882 -21.177 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.629 -23.360 12.242 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.524 -21.591 10.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.732 -20.082 11.112 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.763 -21.551 10.851 1.00 0.00 H new ATOM 865 N GLY A 56 -17.445 -20.916 15.848 1.00 0.00 N ATOM 866 CA GLY A 56 -17.514 -21.455 17.235 1.00 0.00 C ATOM 867 C GLY A 56 -16.385 -20.857 18.071 1.00 0.00 C ATOM 868 O GLY A 56 -15.426 -20.322 17.552 1.00 0.00 O ATOM 0 H GLY A 56 -17.906 -20.017 15.710 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.479 -21.215 17.682 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.432 -22.542 17.219 1.00 0.00 H new ATOM 872 N LYS A 57 -16.495 -20.947 19.364 1.00 0.00 N ATOM 873 CA LYS A 57 -15.433 -20.388 20.247 1.00 0.00 C ATOM 874 C LYS A 57 -14.128 -21.152 20.016 1.00 0.00 C ATOM 875 O LYS A 57 -14.131 -22.322 19.688 1.00 0.00 O ATOM 876 CB LYS A 57 -15.857 -20.534 21.711 1.00 0.00 C ATOM 877 CG LYS A 57 -17.092 -19.671 21.974 1.00 0.00 C ATOM 878 CD LYS A 57 -17.367 -19.622 23.478 1.00 0.00 C ATOM 879 CE LYS A 57 -18.638 -18.810 23.736 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.647 -19.669 24.416 1.00 0.00 N ATOM 0 H LYS A 57 -17.277 -21.385 19.851 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.284 -19.333 20.016 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.076 -21.578 21.935 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.042 -20.231 22.368 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.934 -18.664 21.589 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.954 -20.081 21.449 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.482 -20.632 23.871 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.522 -19.171 23.999 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.408 -17.942 24.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.040 -18.434 22.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.511 -19.117 24.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.874 -20.484 23.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.262 -20.007 25.321 1.00 0.00 H new ATOM 894 N CYS A 58 -13.010 -20.500 20.187 1.00 0.00 N ATOM 895 CA CYS A 58 -11.707 -21.191 19.979 1.00 0.00 C ATOM 896 C CYS A 58 -11.639 -22.429 20.876 1.00 0.00 C ATOM 897 O CYS A 58 -10.944 -23.382 20.583 1.00 0.00 O ATOM 898 CB CYS A 58 -10.564 -20.239 20.336 1.00 0.00 C ATOM 899 SG CYS A 58 -10.434 -18.947 19.074 1.00 0.00 S ATOM 0 H CYS A 58 -12.943 -19.520 20.461 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.616 -21.493 18.935 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.743 -19.790 21.313 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.626 -20.790 20.405 1.00 0.00 H new ATOM 904 N GLU A 59 -12.358 -22.423 21.965 1.00 0.00 N ATOM 905 CA GLU A 59 -12.337 -23.601 22.878 1.00 0.00 C ATOM 906 C GLU A 59 -13.367 -24.628 22.405 1.00 0.00 C ATOM 907 O GLU A 59 -13.310 -25.789 22.757 1.00 0.00 O ATOM 908 CB GLU A 59 -12.683 -23.151 24.298 1.00 0.00 C ATOM 909 CG GLU A 59 -12.792 -24.375 25.210 1.00 0.00 C ATOM 910 CD GLU A 59 -13.375 -23.956 26.561 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.814 -22.824 26.669 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.372 -24.776 27.465 1.00 0.00 O ATOM 0 H GLU A 59 -12.959 -21.654 22.262 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.344 -24.050 22.871 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.917 -22.472 24.673 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.624 -22.600 24.297 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.426 -25.131 24.747 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.809 -24.826 25.350 1.00 0.00 H new ATOM 919 N GLU A 60 -14.310 -24.207 21.606 1.00 0.00 N ATOM 920 CA GLU A 60 -15.346 -25.155 21.109 1.00 0.00 C ATOM 921 C GLU A 60 -14.752 -26.023 19.996 1.00 0.00 C ATOM 922 O GLU A 60 -15.172 -27.142 19.778 1.00 0.00 O ATOM 923 CB GLU A 60 -16.535 -24.360 20.561 1.00 0.00 C ATOM 924 CG GLU A 60 -17.439 -25.283 19.741 1.00 0.00 C ATOM 925 CD GLU A 60 -18.639 -24.488 19.221 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.580 -23.271 19.259 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.597 -25.112 18.792 1.00 0.00 O ATOM 0 H GLU A 60 -14.407 -23.247 21.276 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.680 -25.795 21.926 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.099 -23.919 21.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.180 -23.538 19.940 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.882 -25.709 18.907 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.780 -26.117 20.355 1.00 0.00 H new ATOM 934 N SER A 61 -13.780 -25.515 19.290 1.00 0.00 N ATOM 935 CA SER A 61 -13.163 -26.310 18.191 1.00 0.00 C ATOM 936 C SER A 61 -12.320 -27.442 18.784 1.00 0.00 C ATOM 937 O SER A 61 -12.120 -28.468 18.165 1.00 0.00 O ATOM 938 CB SER A 61 -12.270 -25.400 17.344 1.00 0.00 C ATOM 939 OG SER A 61 -13.013 -24.263 16.928 1.00 0.00 O ATOM 0 H SER A 61 -13.386 -24.584 19.426 1.00 0.00 H new ATOM 0 HA SER A 61 -13.949 -26.734 17.567 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.399 -25.088 17.921 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.899 -25.943 16.475 1.00 0.00 H new ATOM 0 HG SER A 61 -12.442 -23.679 16.387 1.00 0.00 H new ATOM 945 N SER A 62 -11.822 -27.265 19.978 1.00 0.00 N ATOM 946 CA SER A 62 -10.992 -28.334 20.603 1.00 0.00 C ATOM 947 C SER A 62 -11.640 -28.790 21.911 1.00 0.00 C ATOM 948 O SER A 62 -12.347 -28.044 22.559 1.00 0.00 O ATOM 949 CB SER A 62 -9.591 -27.792 20.890 1.00 0.00 C ATOM 950 OG SER A 62 -9.667 -26.788 21.890 1.00 0.00 O ATOM 0 H SER A 62 -11.954 -26.428 20.546 1.00 0.00 H new ATOM 0 HA SER A 62 -10.921 -29.181 19.920 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.938 -28.600 21.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.155 -27.381 19.979 1.00 0.00 H new ATOM 0 HG SER A 62 -8.769 -26.442 22.075 1.00 0.00 H new ATOM 956 N THR A 63 -11.403 -30.012 22.304 1.00 0.00 N ATOM 957 CA THR A 63 -12.003 -30.520 23.570 1.00 0.00 C ATOM 958 C THR A 63 -11.367 -29.800 24.762 1.00 0.00 C ATOM 959 O THR A 63 -10.247 -29.336 24.693 1.00 0.00 O ATOM 960 CB THR A 63 -11.748 -32.025 23.690 1.00 0.00 C ATOM 961 OG1 THR A 63 -11.908 -32.425 25.045 1.00 0.00 O ATOM 962 CG2 THR A 63 -10.326 -32.345 23.227 1.00 0.00 C ATOM 0 H THR A 63 -10.819 -30.681 21.802 1.00 0.00 H new ATOM 0 HA THR A 63 -13.077 -30.333 23.562 1.00 0.00 H new ATOM 0 HB THR A 63 -12.460 -32.564 23.064 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.747 -33.388 25.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.148 -33.417 23.314 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.204 -32.040 22.188 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.611 -31.807 23.849 1.00 0.00 H new ATOM 970 N PRO A 64 -12.105 -29.709 25.878 1.00 0.00 N ATOM 971 CA PRO A 64 -11.622 -29.048 27.097 1.00 0.00 C ATOM 972 C PRO A 64 -10.497 -29.842 27.765 1.00 0.00 C ATOM 973 O PRO A 64 -10.524 -31.056 27.808 1.00 0.00 O ATOM 974 CB PRO A 64 -12.854 -29.023 28.002 1.00 0.00 C ATOM 975 CG PRO A 64 -13.693 -30.158 27.523 1.00 0.00 C ATOM 976 CD PRO A 64 -13.468 -30.243 26.040 1.00 0.00 C ATOM 0 HA PRO A 64 -11.208 -28.061 26.892 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.579 -29.147 29.050 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.386 -28.075 27.922 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.408 -31.088 28.015 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.746 -29.987 27.749 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.545 -31.269 25.679 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.200 -29.655 25.487 1.00 0.00 H new ATOM 984 N GLY A 65 -9.509 -29.169 28.287 1.00 0.00 N ATOM 985 CA GLY A 65 -8.385 -29.889 28.951 1.00 0.00 C ATOM 986 C GLY A 65 -8.834 -30.371 30.332 1.00 0.00 C ATOM 987 O GLY A 65 -9.994 -30.289 30.683 1.00 0.00 O ATOM 0 H GLY A 65 -9.431 -28.152 28.283 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.072 -30.737 28.342 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.522 -29.230 29.047 1.00 0.00 H new ATOM 991 N THR A 66 -7.922 -30.873 31.119 1.00 0.00 N ATOM 992 CA THR A 66 -8.297 -31.360 32.477 1.00 0.00 C ATOM 993 C THR A 66 -8.699 -30.170 33.349 1.00 0.00 C ATOM 994 O THR A 66 -9.513 -30.289 34.244 1.00 0.00 O ATOM 995 CB THR A 66 -7.105 -32.079 33.112 1.00 0.00 C ATOM 996 OG1 THR A 66 -6.668 -33.120 32.249 1.00 0.00 O ATOM 997 CG2 THR A 66 -7.521 -32.669 34.460 1.00 0.00 C ATOM 0 H THR A 66 -6.935 -30.967 30.881 1.00 0.00 H new ATOM 0 HA THR A 66 -9.135 -32.053 32.396 1.00 0.00 H new ATOM 0 HB THR A 66 -6.292 -31.370 33.266 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.903 -33.581 32.653 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.671 -33.181 34.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.855 -31.868 35.120 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.335 -33.379 34.311 1.00 0.00 H new ATOM 1005 N THR A 67 -8.133 -29.022 33.096 1.00 0.00 N ATOM 1006 CA THR A 67 -8.483 -27.823 33.910 1.00 0.00 C ATOM 1007 C THR A 67 -9.946 -27.452 33.665 1.00 0.00 C ATOM 1008 O THR A 67 -10.610 -26.903 34.523 1.00 0.00 O ATOM 1009 CB THR A 67 -7.582 -26.653 33.508 1.00 0.00 C ATOM 1010 OG1 THR A 67 -6.221 -27.037 33.645 1.00 0.00 O ATOM 1011 CG2 THR A 67 -7.870 -25.451 34.409 1.00 0.00 C ATOM 0 H THR A 67 -7.444 -28.862 32.361 1.00 0.00 H new ATOM 0 HA THR A 67 -8.338 -28.044 34.967 1.00 0.00 H new ATOM 0 HB THR A 67 -7.780 -26.381 32.471 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.643 -26.289 33.386 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.228 -24.619 34.122 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.914 -25.158 34.301 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.674 -25.719 35.447 1.00 0.00 H new ATOM 1019 N ALA A 68 -10.456 -27.747 32.501 1.00 0.00 N ATOM 1020 CA ALA A 68 -11.876 -27.413 32.203 1.00 0.00 C ATOM 1021 C ALA A 68 -12.793 -28.362 32.975 1.00 0.00 C ATOM 1022 O ALA A 68 -13.901 -28.016 33.335 1.00 0.00 O ATOM 1023 CB ALA A 68 -12.131 -27.563 30.702 1.00 0.00 C ATOM 0 H ALA A 68 -9.950 -28.205 31.743 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.080 -26.385 32.504 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.170 -27.319 30.483 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.476 -26.887 30.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.928 -28.590 30.399 1.00 0.00 H new ATOM 1029 N ALA A 69 -12.340 -29.558 33.234 1.00 0.00 N ATOM 1030 CA ALA A 69 -13.184 -30.530 33.984 1.00 0.00 C ATOM 1031 C ALA A 69 -13.298 -30.080 35.442 1.00 0.00 C ATOM 1032 O ALA A 69 -14.193 -30.481 36.158 1.00 0.00 O ATOM 1033 CB ALA A 69 -12.543 -31.917 33.924 1.00 0.00 C ATOM 0 H ALA A 69 -11.421 -29.904 32.958 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.177 -30.573 33.537 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.161 -32.627 34.473 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -12.460 -32.235 32.885 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.550 -31.879 34.372 1.00 0.00 H new ATOM 1039 N SER A 70 -12.397 -29.246 35.886 1.00 0.00 N ATOM 1040 CA SER A 70 -12.454 -28.769 37.296 1.00 0.00 C ATOM 1041 C SER A 70 -13.664 -27.847 37.467 1.00 0.00 C ATOM 1042 O SER A 70 -14.212 -27.719 38.543 1.00 0.00 O ATOM 1043 CB SER A 70 -11.174 -27.998 37.626 1.00 0.00 C ATOM 1044 OG SER A 70 -10.045 -28.806 37.325 1.00 0.00 O ATOM 0 H SER A 70 -11.624 -28.875 35.333 1.00 0.00 H new ATOM 0 HA SER A 70 -12.546 -29.622 37.968 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.136 -27.072 37.052 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.165 -27.720 38.680 1.00 0.00 H new ATOM 0 HG SER A 70 -9.225 -28.313 37.534 1.00 0.00 H new ATOM 1050 N MET A 71 -14.083 -27.205 36.412 1.00 0.00 N ATOM 1051 CA MET A 71 -15.257 -26.294 36.509 1.00 0.00 C ATOM 1052 C MET A 71 -16.265 -26.651 35.415 1.00 0.00 C ATOM 1053 O MET A 71 -16.439 -25.926 34.456 1.00 0.00 O ATOM 1054 CB MET A 71 -14.796 -24.847 36.325 1.00 0.00 C ATOM 1055 CG MET A 71 -13.778 -24.496 37.412 1.00 0.00 C ATOM 1056 SD MET A 71 -12.408 -23.567 36.679 1.00 0.00 S ATOM 1057 CE MET A 71 -13.335 -22.060 36.296 1.00 0.00 C ATOM 0 H MET A 71 -13.662 -27.272 35.485 1.00 0.00 H new ATOM 0 HA MET A 71 -15.725 -26.403 37.487 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.350 -24.718 35.339 1.00 0.00 H new ATOM 0 HB3 MET A 71 -15.650 -24.172 36.379 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.255 -23.905 38.194 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.404 -25.405 37.882 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.640 -21.259 36.045 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.996 -22.245 35.449 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.928 -21.768 37.163 1.00 0.00 H new ATOM 1067 N PRO A 72 -16.940 -27.800 35.567 1.00 0.00 N ATOM 1068 CA PRO A 72 -17.936 -28.271 34.595 1.00 0.00 C ATOM 1069 C PRO A 72 -19.197 -27.403 34.602 1.00 0.00 C ATOM 1070 O PRO A 72 -19.384 -26.571 35.468 1.00 0.00 O ATOM 1071 CB PRO A 72 -18.269 -29.683 35.080 1.00 0.00 C ATOM 1072 CG PRO A 72 -17.951 -29.664 36.536 1.00 0.00 C ATOM 1073 CD PRO A 72 -16.785 -28.730 36.699 1.00 0.00 C ATOM 0 HA PRO A 72 -17.558 -28.234 33.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -19.317 -29.925 34.906 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.677 -30.433 34.555 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.808 -29.322 37.117 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.702 -30.663 36.893 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.817 -28.209 37.656 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.834 -29.261 36.657 1.00 0.00 H new ATOM 1081 N PRO A 73 -20.075 -27.606 33.610 1.00 0.00 N ATOM 1082 CA PRO A 73 -21.326 -26.845 33.485 1.00 0.00 C ATOM 1083 C PRO A 73 -22.335 -27.218 34.576 1.00 0.00 C ATOM 1084 O PRO A 73 -23.308 -26.523 34.796 1.00 0.00 O ATOM 1085 CB PRO A 73 -21.863 -27.262 32.117 1.00 0.00 C ATOM 1086 CG PRO A 73 -21.267 -28.607 31.871 1.00 0.00 C ATOM 1087 CD PRO A 73 -19.916 -28.594 32.529 1.00 0.00 C ATOM 0 HA PRO A 73 -21.161 -25.772 33.587 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -22.952 -27.305 32.115 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.571 -26.552 31.343 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -21.896 -29.394 32.288 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.178 -28.804 30.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.649 -29.576 32.918 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.131 -28.303 31.831 1.00 0.00 H new ATOM 1095 N SER A 74 -22.116 -28.309 35.259 1.00 0.00 N ATOM 1096 CA SER A 74 -23.069 -28.719 36.329 1.00 0.00 C ATOM 1097 C SER A 74 -22.295 -29.315 37.505 1.00 0.00 C ATOM 1098 O SER A 74 -21.218 -29.855 37.343 1.00 0.00 O ATOM 1099 CB SER A 74 -24.039 -29.765 35.774 1.00 0.00 C ATOM 1100 OG SER A 74 -23.327 -30.955 35.468 1.00 0.00 O ATOM 0 H SER A 74 -21.320 -28.932 35.123 1.00 0.00 H new ATOM 0 HA SER A 74 -23.628 -27.847 36.669 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.822 -29.974 36.503 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.531 -29.382 34.880 1.00 0.00 H new ATOM 0 HG SER A 74 -23.948 -31.626 35.114 1.00 0.00 H new ATOM 1106 N ASP A 75 -22.836 -29.225 38.690 1.00 0.00 N ATOM 1107 CA ASP A 75 -22.132 -29.789 39.875 1.00 0.00 C ATOM 1108 C ASP A 75 -21.925 -31.292 39.677 1.00 0.00 C ATOM 1109 O ASP A 75 -22.820 -32.001 39.262 1.00 0.00 O ATOM 1110 CB ASP A 75 -22.976 -29.552 41.129 1.00 0.00 C ATOM 1111 CG ASP A 75 -23.028 -28.053 41.435 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -22.286 -27.315 40.807 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -23.809 -27.670 42.290 1.00 0.00 O ATOM 0 H ASP A 75 -23.735 -28.785 38.888 1.00 0.00 H new ATOM 0 HA ASP A 75 -21.164 -29.301 39.990 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -23.984 -29.939 40.980 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -22.550 -30.092 41.974 1.00 0.00 H new ATOM 1118 N GLU A 76 -20.752 -31.783 39.968 1.00 0.00 N ATOM 1119 CA GLU A 76 -20.491 -33.240 39.794 1.00 0.00 C ATOM 1120 C GLU A 76 -21.049 -33.700 38.445 1.00 0.00 C ATOM 1121 O GLU A 76 -21.011 -32.916 37.512 1.00 0.00 O ATOM 1122 CB GLU A 76 -21.173 -34.020 40.920 1.00 0.00 C ATOM 1123 CG GLU A 76 -20.574 -33.604 42.265 1.00 0.00 C ATOM 1124 CD GLU A 76 -21.216 -34.425 43.385 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -22.166 -35.135 43.101 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -20.748 -34.328 44.507 1.00 0.00 O ATOM 1127 OXT GLU A 76 -21.505 -34.829 38.370 1.00 0.00 O ATOM 0 H GLU A 76 -19.963 -31.239 40.318 1.00 0.00 H new ATOM 0 HA GLU A 76 -19.417 -33.422 39.825 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -22.246 -33.827 40.912 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -21.041 -35.091 40.767 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.495 -33.759 42.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.742 -32.541 42.437 1.00 0.00 H new TER 1134 GLU A 76