USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 935 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 75 GLN : amide:sc= -0.612 X(o=-0.53,f=-0.047) USER MOD Set 1.2: A 91 SER OG : rot 133:sc= 0.0814 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.4 K(o=-0.58,f=-4) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.181 F(o=-1.6,f=-0.58) USER MOD Set 3.1: A 28 THR OG1 : rot -12:sc= 0.968 USER MOD Set 3.2: A 47 THR OG1 : rot -85:sc= 0.0577 USER MOD Single : A 1 ASN :FLIP amide:sc= -3.29 F(o=-7.7!,f=-3.3) USER MOD Single : A 1 ASN N :NH3+ 141:sc= 0.0772 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 25:sc= 0.97 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= -1.96! (180deg=-4.37!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.137 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.912! USER MOD Single : A 37 TYR OH : rot 31:sc= -1.43 USER MOD Single : A 40 SER OG : rot 93:sc= -2.14! USER MOD Single : A 41 HIS : no HD1:sc= -0.0229 K(o=-0.023,f=-1) USER MOD Single : A 42 SER OG : rot -3:sc= 0.967 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 19:sc= 0.318 USER MOD Single : A 49 ASN :FLIP amide:sc= -11.1! C(o=-13!,f=-11!) USER MOD Single : A 50 SER OG : rot -56:sc= 0.351 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 62 TYR OH : rot 169:sc= 1.22 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0978 (180deg=-0.276) USER MOD Single : A 67 HIS : no HD1:sc= 0.0801 K(o=0.08,f=-3.1) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.09 F(o=-1.1,f=-0.09) USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -2.31 (180deg=-2.43) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 28:sc= 0.25 USER MOD Single : A 86 SER OG : rot 180:sc= 0.148 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.66 F(o=-3.7!,f=-1.7) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 67:sc= 1.02 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 136:sc= 1.25 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HE2:sc= -0.735 F(o=-1.3,f=-0.74) USER MOD Single : A 121 GLN : amide:sc=-0.00128 K(o=-0.0013,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.426 -1.426 -3.059 1.00 0.00 N ATOM 21 CA ASN A 1 31.121 -0.792 -2.907 1.00 0.00 C ATOM 22 C ASN A 1 30.023 -1.635 -3.543 1.00 0.00 C ATOM 23 O ASN A 1 30.286 -2.461 -4.416 1.00 0.00 O ATOM 24 CB ASN A 1 31.130 0.605 -3.524 1.00 0.00 C ATOM 25 CG ASN A 1 31.586 1.662 -2.540 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.643 2.185 -1.766 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 32.767 2.002 -2.473 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.144 -0.700 -3.258 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.673 -1.926 -2.181 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.393 -2.105 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 1 30.914 -0.708 -1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.788 0.612 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.129 0.850 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.457 1.572 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.056 2.714 -1.802 1.00 0.00 H new ATOM 34 N CYS A 2 28.790 -1.418 -3.097 1.00 0.00 N ATOM 35 CA CYS A 2 27.648 -2.159 -3.618 1.00 0.00 C ATOM 36 C CYS A 2 27.034 -1.460 -4.822 1.00 0.00 C ATOM 37 O CYS A 2 26.123 -1.993 -5.458 1.00 0.00 O ATOM 38 CB CYS A 2 26.592 -2.346 -2.530 1.00 0.00 C ATOM 39 SG CYS A 2 27.102 -3.473 -1.195 1.00 0.00 S ATOM 0 H CYS A 2 28.557 -0.735 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 2 28.008 -3.136 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.351 -1.374 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.678 -2.728 -2.986 1.00 0.00 H new ATOM 44 N GLY A 3 27.524 -0.265 -5.137 1.00 0.00 N ATOM 45 CA GLY A 3 26.992 0.487 -6.256 1.00 0.00 C ATOM 46 C GLY A 3 25.771 1.293 -5.853 1.00 0.00 C ATOM 47 O GLY A 3 25.127 0.973 -4.856 1.00 0.00 O ATOM 0 H GLY A 3 28.283 0.196 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.760 1.157 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.728 -0.197 -7.063 1.00 0.00 H new ATOM 51 N PRO A 4 25.431 2.356 -6.602 1.00 0.00 N ATOM 52 CA PRO A 4 24.268 3.198 -6.297 1.00 0.00 C ATOM 53 C PRO A 4 23.003 2.380 -6.052 1.00 0.00 C ATOM 54 O PRO A 4 22.628 1.538 -6.868 1.00 0.00 O ATOM 55 CB PRO A 4 24.127 4.063 -7.549 1.00 0.00 C ATOM 56 CG PRO A 4 25.517 4.162 -8.077 1.00 0.00 C ATOM 57 CD PRO A 4 26.152 2.827 -7.801 1.00 0.00 C ATOM 0 HA PRO A 4 24.404 3.773 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.455 3.606 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.719 5.046 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.516 4.382 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.066 4.966 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.031 2.142 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.222 2.920 -7.617 1.00 0.00 H new ATOM 65 N PRO A 5 22.331 2.625 -4.913 1.00 0.00 N ATOM 66 CA PRO A 5 21.106 1.909 -4.542 1.00 0.00 C ATOM 67 C PRO A 5 19.986 2.084 -5.563 1.00 0.00 C ATOM 68 O PRO A 5 19.675 3.203 -5.972 1.00 0.00 O ATOM 69 CB PRO A 5 20.706 2.537 -3.200 1.00 0.00 C ATOM 70 CG PRO A 5 21.432 3.838 -3.145 1.00 0.00 C ATOM 71 CD PRO A 5 22.711 3.623 -3.900 1.00 0.00 C ATOM 0 HA PRO A 5 21.276 0.833 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.628 2.685 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.986 1.894 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.841 4.635 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.631 4.132 -2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.071 4.545 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.507 3.257 -3.251 1.00 0.00 H new ATOM 79 N PRO A 6 19.368 0.967 -5.990 1.00 0.00 N ATOM 80 CA PRO A 6 18.267 0.985 -6.957 1.00 0.00 C ATOM 81 C PRO A 6 17.119 1.871 -6.501 1.00 0.00 C ATOM 82 O PRO A 6 17.160 2.514 -5.452 1.00 0.00 O ATOM 83 CB PRO A 6 17.795 -0.474 -7.009 1.00 0.00 C ATOM 84 CG PRO A 6 18.431 -1.149 -5.841 1.00 0.00 C ATOM 85 CD PRO A 6 19.699 -0.400 -5.570 1.00 0.00 C ATOM 0 HA PRO A 6 18.591 1.380 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.708 -0.536 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.093 -0.948 -7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.773 -1.128 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.636 -2.197 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.977 -0.443 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.537 -0.805 -6.137 1.00 0.00 H new ATOM 93 N THR A 7 16.088 1.872 -7.339 1.00 0.00 N ATOM 94 CA THR A 7 14.880 2.630 -7.078 1.00 0.00 C ATOM 95 C THR A 7 13.858 1.714 -6.416 1.00 0.00 C ATOM 96 O THR A 7 13.612 0.605 -6.892 1.00 0.00 O ATOM 97 CB THR A 7 14.296 3.229 -8.371 1.00 0.00 C ATOM 98 OG1 THR A 7 13.160 4.047 -8.066 1.00 0.00 O ATOM 99 CG2 THR A 7 13.892 2.136 -9.349 1.00 0.00 C ATOM 0 H THR A 7 16.070 1.348 -8.214 1.00 0.00 H new ATOM 0 HA THR A 7 15.125 3.461 -6.416 1.00 0.00 H new ATOM 0 HB THR A 7 15.069 3.840 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.797 4.425 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.483 2.589 -10.252 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.766 1.537 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.137 1.498 -8.890 1.00 0.00 H new ATOM 107 N LEU A 8 13.272 2.164 -5.318 1.00 0.00 N ATOM 108 CA LEU A 8 12.282 1.366 -4.616 1.00 0.00 C ATOM 109 C LEU A 8 10.880 1.920 -4.825 1.00 0.00 C ATOM 110 O LEU A 8 10.522 2.959 -4.270 1.00 0.00 O ATOM 111 CB LEU A 8 12.616 1.318 -3.125 1.00 0.00 C ATOM 112 CG LEU A 8 14.010 0.779 -2.798 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.075 1.838 -3.048 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.072 0.294 -1.358 1.00 0.00 C ATOM 0 H LEU A 8 13.464 3.073 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 8 12.306 0.355 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.525 2.323 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.874 0.699 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 8 14.208 -0.066 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.057 1.430 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.052 2.137 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.879 2.706 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.071 -0.086 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.847 1.122 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.342 -0.502 -1.210 1.00 0.00 H new ATOM 126 N SER A 9 10.087 1.220 -5.632 1.00 0.00 N ATOM 127 CA SER A 9 8.719 1.632 -5.905 1.00 0.00 C ATOM 128 C SER A 9 7.823 1.283 -4.726 1.00 0.00 C ATOM 129 O SER A 9 6.646 1.642 -4.695 1.00 0.00 O ATOM 130 CB SER A 9 8.201 0.959 -7.178 1.00 0.00 C ATOM 131 OG SER A 9 8.190 -0.451 -7.041 1.00 0.00 O ATOM 0 H SER A 9 10.372 0.364 -6.108 1.00 0.00 H new ATOM 0 HA SER A 9 8.704 2.712 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.194 1.314 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.829 1.241 -8.023 1.00 0.00 H new ATOM 0 HG SER A 9 7.853 -0.857 -7.867 1.00 0.00 H new ATOM 137 N PHE A 10 8.396 0.572 -3.760 1.00 0.00 N ATOM 138 CA PHE A 10 7.669 0.172 -2.564 1.00 0.00 C ATOM 139 C PHE A 10 7.996 1.106 -1.404 1.00 0.00 C ATOM 140 O PHE A 10 7.491 0.941 -0.293 1.00 0.00 O ATOM 141 CB PHE A 10 7.993 -1.277 -2.192 1.00 0.00 C ATOM 142 CG PHE A 10 9.334 -1.751 -2.677 1.00 0.00 C ATOM 143 CD1 PHE A 10 9.470 -2.312 -3.937 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.455 -1.641 -1.872 1.00 0.00 C ATOM 145 CE1 PHE A 10 10.702 -2.754 -4.384 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.688 -2.082 -2.313 1.00 0.00 C ATOM 147 CZ PHE A 10 11.812 -2.638 -3.571 1.00 0.00 C ATOM 0 H PHE A 10 9.367 0.260 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 10 6.602 0.240 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.954 -1.380 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.220 -1.927 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.605 -2.405 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.365 -1.205 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.796 -3.189 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.554 -1.992 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.775 -2.981 -3.918 1.00 0.00 H new ATOM 157 N ALA A 11 8.852 2.086 -1.676 1.00 0.00 N ATOM 158 CA ALA A 11 9.246 3.069 -0.677 1.00 0.00 C ATOM 159 C ALA A 11 9.630 4.382 -1.350 1.00 0.00 C ATOM 160 O ALA A 11 9.305 4.638 -2.509 1.00 0.00 O ATOM 161 CB ALA A 11 10.411 2.538 0.145 1.00 0.00 C ATOM 0 H ALA A 11 9.288 2.219 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 11 8.402 3.253 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.699 3.280 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.113 1.617 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.257 2.336 -0.512 1.00 0.00 H new ATOM 167 N ALA A 12 10.330 5.201 -0.571 1.00 0.00 N ATOM 168 CA ALA A 12 10.771 6.510 -1.034 1.00 0.00 C ATOM 169 C ALA A 12 11.830 7.088 -0.097 1.00 0.00 C ATOM 170 O ALA A 12 11.712 6.974 1.123 1.00 0.00 O ATOM 171 CB ALA A 12 9.590 7.460 -1.160 1.00 0.00 C ATOM 0 H ALA A 12 10.604 4.979 0.386 1.00 0.00 H new ATOM 0 HA ALA A 12 11.220 6.389 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.940 8.432 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.873 7.056 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.109 7.573 -0.188 1.00 0.00 H new ATOM 177 N PRO A 13 12.882 7.715 -0.657 1.00 0.00 N ATOM 178 CA PRO A 13 13.961 8.311 0.141 1.00 0.00 C ATOM 179 C PRO A 13 13.415 9.218 1.235 1.00 0.00 C ATOM 180 O PRO A 13 12.332 9.787 1.102 1.00 0.00 O ATOM 181 CB PRO A 13 14.755 9.122 -0.884 1.00 0.00 C ATOM 182 CG PRO A 13 14.497 8.446 -2.186 1.00 0.00 C ATOM 183 CD PRO A 13 13.097 7.900 -2.104 1.00 0.00 C ATOM 0 HA PRO A 13 14.560 7.560 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.427 10.161 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.819 9.128 -0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.594 9.147 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.217 7.647 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.371 8.591 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.001 6.960 -2.647 1.00 0.00 H new ATOM 191 N MET A 14 14.173 9.350 2.322 1.00 0.00 N ATOM 192 CA MET A 14 13.749 10.178 3.443 1.00 0.00 C ATOM 193 C MET A 14 14.937 10.797 4.171 1.00 0.00 C ATOM 194 O MET A 14 14.850 11.915 4.681 1.00 0.00 O ATOM 195 CB MET A 14 12.921 9.342 4.421 1.00 0.00 C ATOM 196 CG MET A 14 12.410 10.129 5.614 1.00 0.00 C ATOM 197 SD MET A 14 11.506 9.103 6.788 1.00 0.00 S ATOM 198 CE MET A 14 11.084 10.315 8.038 1.00 0.00 C ATOM 0 H MET A 14 15.078 8.896 2.448 1.00 0.00 H new ATOM 0 HA MET A 14 13.142 10.991 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.072 8.912 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.528 8.510 4.778 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.252 10.599 6.122 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.761 10.931 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.520 9.833 8.836 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.997 10.747 8.448 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.478 11.103 7.591 1.00 0.00 H new ATOM 208 N ASP A 15 16.043 10.067 4.216 1.00 0.00 N ATOM 209 CA ASP A 15 17.244 10.545 4.891 1.00 0.00 C ATOM 210 C ASP A 15 18.464 9.730 4.486 1.00 0.00 C ATOM 211 O ASP A 15 18.713 8.652 5.027 1.00 0.00 O ATOM 212 CB ASP A 15 17.055 10.478 6.403 1.00 0.00 C ATOM 213 CG ASP A 15 18.167 11.173 7.160 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.171 10.505 7.486 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.035 12.386 7.430 1.00 0.00 O ATOM 0 H ASP A 15 16.135 9.143 3.794 1.00 0.00 H new ATOM 0 HA ASP A 15 17.410 11.580 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.101 10.934 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.006 9.434 6.713 1.00 0.00 H new ATOM 220 N ILE A 16 19.219 10.251 3.530 1.00 0.00 N ATOM 221 CA ILE A 16 20.405 9.577 3.042 1.00 0.00 C ATOM 222 C ILE A 16 21.227 10.495 2.164 1.00 0.00 C ATOM 223 O ILE A 16 22.425 10.290 1.969 1.00 0.00 O ATOM 224 CB ILE A 16 20.002 8.333 2.240 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.206 7.703 1.535 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.901 8.684 1.251 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.468 8.223 0.134 1.00 0.00 C ATOM 0 H ILE A 16 19.026 11.144 3.077 1.00 0.00 H new ATOM 0 HA ILE A 16 21.008 9.284 3.901 1.00 0.00 H new ATOM 0 HB ILE A 16 19.617 7.587 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.095 7.873 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.056 6.625 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.622 7.794 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.032 9.058 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.259 9.451 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.339 7.719 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.599 8.028 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.654 9.296 0.173 1.00 0.00 H new ATOM 239 N THR A 17 20.563 11.515 1.660 1.00 0.00 N ATOM 240 CA THR A 17 21.177 12.476 0.759 1.00 0.00 C ATOM 241 C THR A 17 21.824 11.747 -0.402 1.00 0.00 C ATOM 242 O THR A 17 22.915 11.190 -0.273 1.00 0.00 O ATOM 243 CB THR A 17 22.232 13.363 1.440 1.00 0.00 C ATOM 244 OG1 THR A 17 23.205 12.562 2.120 1.00 0.00 O ATOM 245 CG2 THR A 17 21.584 14.329 2.419 1.00 0.00 C ATOM 0 H THR A 17 19.581 11.704 1.862 1.00 0.00 H new ATOM 0 HA THR A 17 20.377 13.131 0.415 1.00 0.00 H new ATOM 0 HB THR A 17 22.731 13.940 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.243 11.674 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.353 14.944 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.881 14.970 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.053 13.767 3.187 1.00 0.00 H new ATOM 253 N LEU A 18 21.150 11.758 -1.537 1.00 0.00 N ATOM 254 CA LEU A 18 21.642 11.081 -2.713 1.00 0.00 C ATOM 255 C LEU A 18 22.788 11.852 -3.356 1.00 0.00 C ATOM 256 O LEU A 18 23.024 11.753 -4.560 1.00 0.00 O ATOM 257 CB LEU A 18 20.504 10.898 -3.709 1.00 0.00 C ATOM 258 CG LEU A 18 19.639 9.653 -3.490 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.500 8.397 -3.507 1.00 0.00 C ATOM 260 CD2 LEU A 18 18.874 9.756 -2.180 1.00 0.00 C ATOM 0 H LEU A 18 20.256 12.232 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 18 22.025 10.105 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.862 11.778 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.925 10.856 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 18 18.917 9.589 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.870 7.522 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.003 8.314 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.244 8.455 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.266 8.862 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.579 9.846 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.229 10.634 -2.204 1.00 0.00 H new ATOM 272 N THR A 19 23.498 12.611 -2.537 1.00 0.00 N ATOM 273 CA THR A 19 24.622 13.408 -3.002 1.00 0.00 C ATOM 274 C THR A 19 25.835 12.525 -3.260 1.00 0.00 C ATOM 275 O THR A 19 26.859 12.984 -3.765 1.00 0.00 O ATOM 276 CB THR A 19 24.991 14.492 -1.974 1.00 0.00 C ATOM 277 OG1 THR A 19 25.589 13.889 -0.820 1.00 0.00 O ATOM 278 CG2 THR A 19 23.755 15.275 -1.557 1.00 0.00 C ATOM 0 H THR A 19 23.313 12.692 -1.537 1.00 0.00 H new ATOM 0 HA THR A 19 24.322 13.890 -3.933 1.00 0.00 H new ATOM 0 HB THR A 19 25.703 15.177 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.823 14.585 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.035 16.037 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.315 15.753 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.028 14.597 -1.110 1.00 0.00 H new ATOM 286 N GLU A 20 25.706 11.250 -2.906 1.00 0.00 N ATOM 287 CA GLU A 20 26.780 10.285 -3.094 1.00 0.00 C ATOM 288 C GLU A 20 26.372 9.220 -4.107 1.00 0.00 C ATOM 289 O GLU A 20 25.184 8.977 -4.318 1.00 0.00 O ATOM 290 CB GLU A 20 27.140 9.629 -1.759 1.00 0.00 C ATOM 291 CG GLU A 20 27.612 10.615 -0.703 1.00 0.00 C ATOM 292 CD GLU A 20 28.864 11.363 -1.119 1.00 0.00 C ATOM 293 OE1 GLU A 20 28.734 12.437 -1.743 1.00 0.00 O ATOM 294 OE2 GLU A 20 29.974 10.875 -0.819 1.00 0.00 O ATOM 0 H GLU A 20 24.862 10.861 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 20 27.654 10.812 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.269 9.094 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 20 27.922 8.888 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.816 11.332 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.805 10.080 0.227 1.00 0.00 H new ATOM 301 N THR A 21 27.360 8.588 -4.732 1.00 0.00 N ATOM 302 CA THR A 21 27.096 7.550 -5.720 1.00 0.00 C ATOM 303 C THR A 21 27.535 6.184 -5.208 1.00 0.00 C ATOM 304 O THR A 21 27.075 5.149 -5.690 1.00 0.00 O ATOM 305 CB THR A 21 27.817 7.843 -7.050 1.00 0.00 C ATOM 306 OG1 THR A 21 27.769 9.246 -7.335 1.00 0.00 O ATOM 307 CG2 THR A 21 27.179 7.071 -8.194 1.00 0.00 C ATOM 0 H THR A 21 28.349 8.777 -4.572 1.00 0.00 H new ATOM 0 HA THR A 21 26.020 7.543 -5.893 1.00 0.00 H new ATOM 0 HB THR A 21 28.855 7.526 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.231 9.424 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.705 7.294 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.240 6.002 -7.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.133 7.362 -8.291 1.00 0.00 H new ATOM 315 N ARG A 22 28.430 6.188 -4.224 1.00 0.00 N ATOM 316 CA ARG A 22 28.938 4.954 -3.640 1.00 0.00 C ATOM 317 C ARG A 22 28.722 4.953 -2.132 1.00 0.00 C ATOM 318 O ARG A 22 28.730 6.010 -1.500 1.00 0.00 O ATOM 319 CB ARG A 22 30.423 4.797 -3.946 1.00 0.00 C ATOM 320 CG ARG A 22 30.745 4.786 -5.431 1.00 0.00 C ATOM 321 CD ARG A 22 32.244 4.737 -5.672 1.00 0.00 C ATOM 322 NE ARG A 22 32.925 5.895 -5.099 1.00 0.00 N ATOM 323 CZ ARG A 22 34.184 5.873 -4.672 1.00 0.00 C ATOM 324 NH1 ARG A 22 34.896 4.758 -4.750 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.729 6.971 -4.164 1.00 0.00 N ATOM 0 H ARG A 22 28.819 7.037 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 22 28.393 4.117 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.970 5.611 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.780 3.869 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.271 3.925 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.328 5.676 -5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.652 3.824 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.438 4.695 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 22 32.406 6.770 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.479 3.912 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.862 4.745 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.182 7.830 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.695 6.956 -3.836 1.00 0.00 H new ATOM 339 N PHE A 23 28.530 3.771 -1.552 1.00 0.00 N ATOM 340 CA PHE A 23 28.301 3.639 -0.117 1.00 0.00 C ATOM 341 C PHE A 23 28.948 2.350 0.402 1.00 0.00 C ATOM 342 O PHE A 23 28.547 1.251 0.020 1.00 0.00 O ATOM 343 CB PHE A 23 26.794 3.635 0.177 1.00 0.00 C ATOM 344 CG PHE A 23 26.043 4.776 -0.457 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.780 4.774 -1.817 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.611 5.853 0.303 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.105 5.820 -2.409 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.930 6.903 -0.285 1.00 0.00 C ATOM 349 CZ PHE A 23 24.678 6.887 -1.644 1.00 0.00 C ATOM 0 H PHE A 23 28.529 2.886 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 23 28.755 4.488 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.369 2.694 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.645 3.670 1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.108 3.942 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.809 5.872 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.910 5.805 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.595 7.735 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.148 7.707 -2.106 1.00 0.00 H new ATOM 359 N LYS A 24 29.951 2.493 1.271 1.00 0.00 N ATOM 360 CA LYS A 24 30.672 1.340 1.822 1.00 0.00 C ATOM 361 C LYS A 24 29.733 0.311 2.442 1.00 0.00 C ATOM 362 O LYS A 24 28.537 0.554 2.597 1.00 0.00 O ATOM 363 CB LYS A 24 31.695 1.789 2.866 1.00 0.00 C ATOM 364 CG LYS A 24 31.175 2.866 3.807 1.00 0.00 C ATOM 365 CD LYS A 24 32.162 3.165 4.926 1.00 0.00 C ATOM 366 CE LYS A 24 33.350 3.980 4.434 1.00 0.00 C ATOM 367 NZ LYS A 24 34.247 3.190 3.548 1.00 0.00 N ATOM 0 H LYS A 24 30.284 3.396 1.609 1.00 0.00 H new ATOM 0 HA LYS A 24 31.185 0.866 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.005 0.925 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.582 2.163 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.979 3.778 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.225 2.546 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.654 3.709 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.518 2.229 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.989 4.856 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.917 4.345 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.238 3.407 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.072 2.175 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.058 3.435 2.555 1.00 0.00 H new ATOM 381 N THR A 25 30.301 -0.839 2.811 1.00 0.00 N ATOM 382 CA THR A 25 29.534 -1.921 3.409 1.00 0.00 C ATOM 383 C THR A 25 29.018 -1.546 4.794 1.00 0.00 C ATOM 384 O THR A 25 28.242 -2.286 5.398 1.00 0.00 O ATOM 385 CB THR A 25 30.360 -3.213 3.506 1.00 0.00 C ATOM 386 OG1 THR A 25 31.720 -2.909 3.837 1.00 0.00 O ATOM 387 CG2 THR A 25 30.307 -4.002 2.199 1.00 0.00 C ATOM 0 H THR A 25 31.295 -1.040 2.703 1.00 0.00 H new ATOM 0 HA THR A 25 28.682 -2.096 2.752 1.00 0.00 H new ATOM 0 HB THR A 25 29.927 -3.828 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 25 32.236 -3.740 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.901 -4.911 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.273 -4.266 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.709 -3.393 1.390 1.00 0.00 H new ATOM 395 N GLY A 26 29.454 -0.395 5.292 1.00 0.00 N ATOM 396 CA GLY A 26 29.019 0.070 6.598 1.00 0.00 C ATOM 397 C GLY A 26 28.024 1.204 6.479 1.00 0.00 C ATOM 398 O GLY A 26 27.866 2.012 7.394 1.00 0.00 O ATOM 0 H GLY A 26 30.104 0.228 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.567 -0.756 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.883 0.401 7.174 1.00 0.00 H new ATOM 402 N THR A 27 27.356 1.252 5.334 1.00 0.00 N ATOM 403 CA THR A 27 26.372 2.290 5.062 1.00 0.00 C ATOM 404 C THR A 27 24.956 1.768 5.259 1.00 0.00 C ATOM 405 O THR A 27 24.726 0.561 5.279 1.00 0.00 O ATOM 406 CB THR A 27 26.506 2.822 3.623 1.00 0.00 C ATOM 407 OG1 THR A 27 25.970 4.148 3.541 1.00 0.00 O ATOM 408 CG2 THR A 27 25.769 1.919 2.644 1.00 0.00 C ATOM 0 H THR A 27 27.479 0.581 4.576 1.00 0.00 H new ATOM 0 HA THR A 27 26.563 3.100 5.766 1.00 0.00 H new ATOM 0 HB THR A 27 27.564 2.837 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 27 25.235 4.164 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.877 2.313 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.190 0.914 2.688 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.712 1.882 2.908 1.00 0.00 H new ATOM 416 N THR A 28 24.012 2.687 5.395 1.00 0.00 N ATOM 417 CA THR A 28 22.612 2.327 5.575 1.00 0.00 C ATOM 418 C THR A 28 21.713 3.514 5.259 1.00 0.00 C ATOM 419 O THR A 28 21.865 4.590 5.836 1.00 0.00 O ATOM 420 CB THR A 28 22.326 1.835 7.007 1.00 0.00 C ATOM 421 OG1 THR A 28 23.095 0.659 7.289 1.00 0.00 O ATOM 422 CG2 THR A 28 20.846 1.530 7.191 1.00 0.00 C ATOM 0 H THR A 28 24.190 3.691 5.384 1.00 0.00 H new ATOM 0 HA THR A 28 22.399 1.511 4.885 1.00 0.00 H new ATOM 0 HB THR A 28 22.609 2.629 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.479 0.312 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.670 1.185 8.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.263 2.433 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.544 0.754 6.487 1.00 0.00 H new ATOM 430 N LEU A 29 20.777 3.312 4.338 1.00 0.00 N ATOM 431 CA LEU A 29 19.884 4.383 3.921 1.00 0.00 C ATOM 432 C LEU A 29 18.556 4.339 4.664 1.00 0.00 C ATOM 433 O LEU A 29 18.072 3.269 5.034 1.00 0.00 O ATOM 434 CB LEU A 29 19.614 4.303 2.415 1.00 0.00 C ATOM 435 CG LEU A 29 20.852 4.162 1.530 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.307 2.714 1.493 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.559 4.658 0.122 1.00 0.00 C ATOM 0 H LEU A 29 20.619 2.420 3.869 1.00 0.00 H new ATOM 0 HA LEU A 29 20.384 5.322 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.956 3.455 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.073 5.200 2.113 1.00 0.00 H new ATOM 0 HG LEU A 29 21.652 4.771 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.190 2.626 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.551 2.383 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.508 2.092 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.451 4.550 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.747 4.072 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.268 5.708 0.159 1.00 0.00 H new ATOM 449 N LYS A 30 17.973 5.513 4.879 1.00 0.00 N ATOM 450 CA LYS A 30 16.688 5.620 5.543 1.00 0.00 C ATOM 451 C LYS A 30 15.584 5.736 4.505 1.00 0.00 C ATOM 452 O LYS A 30 15.641 6.589 3.619 1.00 0.00 O ATOM 453 CB LYS A 30 16.656 6.836 6.463 1.00 0.00 C ATOM 454 CG LYS A 30 17.105 6.541 7.886 1.00 0.00 C ATOM 455 CD LYS A 30 17.064 7.787 8.756 1.00 0.00 C ATOM 456 CE LYS A 30 17.490 7.483 10.183 1.00 0.00 C ATOM 457 NZ LYS A 30 17.473 8.700 11.041 1.00 0.00 N ATOM 0 H LYS A 30 18.377 6.407 4.599 1.00 0.00 H new ATOM 0 HA LYS A 30 16.533 4.725 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.295 7.614 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.642 7.235 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.463 5.773 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.118 6.139 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.719 8.549 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.055 8.199 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.825 6.731 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.493 7.056 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.770 8.449 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.127 9.409 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.511 9.093 11.066 1.00 0.00 H new ATOM 471 N TYR A 31 14.579 4.883 4.618 1.00 0.00 N ATOM 472 CA TYR A 31 13.474 4.894 3.673 1.00 0.00 C ATOM 473 C TYR A 31 12.131 4.850 4.392 1.00 0.00 C ATOM 474 O TYR A 31 11.993 4.224 5.442 1.00 0.00 O ATOM 475 CB TYR A 31 13.601 3.717 2.702 1.00 0.00 C ATOM 476 CG TYR A 31 14.462 4.018 1.498 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.844 3.893 1.559 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.894 4.425 0.297 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.635 4.168 0.460 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.677 4.700 -0.807 1.00 0.00 C ATOM 481 CZ TYR A 31 16.048 4.570 -0.720 1.00 0.00 C ATOM 482 OH TYR A 31 16.832 4.844 -1.817 1.00 0.00 O ATOM 0 H TYR A 31 14.505 4.177 5.351 1.00 0.00 H new ATOM 0 HA TYR A 31 13.518 5.826 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.019 2.862 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.606 3.427 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.308 3.575 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.821 4.528 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.708 4.068 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.219 5.015 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 31 16.262 5.113 -2.567 1.00 0.00 H new ATOM 492 N THR A 32 11.144 5.524 3.810 1.00 0.00 N ATOM 493 CA THR A 32 9.803 5.581 4.373 1.00 0.00 C ATOM 494 C THR A 32 8.826 4.790 3.508 1.00 0.00 C ATOM 495 O THR A 32 9.195 4.298 2.441 1.00 0.00 O ATOM 496 CB THR A 32 9.323 7.040 4.506 1.00 0.00 C ATOM 497 OG1 THR A 32 7.895 7.111 4.417 1.00 0.00 O ATOM 498 CG2 THR A 32 9.952 7.912 3.430 1.00 0.00 C ATOM 0 H THR A 32 11.252 6.043 2.939 1.00 0.00 H new ATOM 0 HA THR A 32 9.838 5.135 5.367 1.00 0.00 H new ATOM 0 HB THR A 32 9.634 7.409 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.608 8.044 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.600 8.938 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.037 7.887 3.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.670 7.537 2.446 1.00 0.00 H new ATOM 506 N CYS A 33 7.582 4.667 3.963 1.00 0.00 N ATOM 507 CA CYS A 33 6.578 3.916 3.219 1.00 0.00 C ATOM 508 C CYS A 33 5.287 4.706 3.023 1.00 0.00 C ATOM 509 O CYS A 33 4.556 4.999 3.970 1.00 0.00 O ATOM 510 CB CYS A 33 6.264 2.604 3.934 1.00 0.00 C ATOM 511 SG CYS A 33 7.277 1.194 3.388 1.00 0.00 S ATOM 0 H CYS A 33 7.248 5.074 4.836 1.00 0.00 H new ATOM 0 HA CYS A 33 6.999 3.715 2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.405 2.745 5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.212 2.362 3.780 1.00 0.00 H new ATOM 516 N LEU A 34 5.056 5.049 1.755 1.00 0.00 N ATOM 517 CA LEU A 34 3.873 5.801 1.346 1.00 0.00 C ATOM 518 C LEU A 34 2.644 5.358 2.145 1.00 0.00 C ATOM 519 O LEU A 34 2.540 4.202 2.554 1.00 0.00 O ATOM 520 CB LEU A 34 3.626 5.642 -0.156 1.00 0.00 C ATOM 521 CG LEU A 34 4.843 5.928 -1.047 1.00 0.00 C ATOM 522 CD1 LEU A 34 4.505 5.661 -2.506 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.315 7.362 -0.864 1.00 0.00 C ATOM 0 H LEU A 34 5.683 4.813 0.986 1.00 0.00 H new ATOM 0 HA LEU A 34 4.052 6.856 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.286 4.624 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.815 6.310 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 34 5.652 5.261 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.378 5.868 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.214 4.618 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.681 6.306 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.178 7.545 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.511 8.047 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.594 7.523 0.177 1.00 0.00 H new ATOM 535 N PRO A 35 1.696 6.277 2.377 1.00 0.00 N ATOM 536 CA PRO A 35 0.490 5.995 3.168 1.00 0.00 C ATOM 537 C PRO A 35 -0.441 4.945 2.560 1.00 0.00 C ATOM 538 O PRO A 35 -0.924 5.093 1.440 1.00 0.00 O ATOM 539 CB PRO A 35 -0.224 7.350 3.229 1.00 0.00 C ATOM 540 CG PRO A 35 0.300 8.116 2.065 1.00 0.00 C ATOM 541 CD PRO A 35 1.720 7.667 1.886 1.00 0.00 C ATOM 0 HA PRO A 35 0.764 5.575 4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.305 7.229 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.014 7.865 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.289 7.918 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.249 9.189 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.031 7.721 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.413 8.284 2.457 1.00 0.00 H new ATOM 549 N GLY A 36 -0.685 3.885 3.333 1.00 0.00 N ATOM 550 CA GLY A 36 -1.606 2.850 2.889 1.00 0.00 C ATOM 551 C GLY A 36 -0.968 1.500 2.615 1.00 0.00 C ATOM 552 O GLY A 36 -1.572 0.477 2.925 1.00 0.00 O ATOM 0 H GLY A 36 -0.266 3.726 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.379 2.723 3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.103 3.192 1.981 1.00 0.00 H new ATOM 556 N TYR A 37 0.219 1.508 1.994 1.00 0.00 N ATOM 557 CA TYR A 37 0.961 0.283 1.634 1.00 0.00 C ATOM 558 C TYR A 37 0.376 -1.005 2.212 1.00 0.00 C ATOM 559 O TYR A 37 -0.078 -1.070 3.355 1.00 0.00 O ATOM 560 CB TYR A 37 2.434 0.417 1.992 1.00 0.00 C ATOM 561 CG TYR A 37 3.269 0.886 0.821 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.561 0.028 -0.234 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.758 2.180 0.765 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.318 0.452 -1.309 1.00 0.00 C ATOM 565 CE2 TYR A 37 4.513 2.610 -0.308 1.00 0.00 C ATOM 566 CZ TYR A 37 4.790 1.745 -1.340 1.00 0.00 C ATOM 567 OH TYR A 37 5.538 2.177 -2.410 1.00 0.00 O ATOM 0 H TYR A 37 0.698 2.367 1.724 1.00 0.00 H new ATOM 0 HA TYR A 37 0.857 0.189 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.542 1.120 2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.810 -0.545 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.190 -0.986 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.546 2.864 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.538 -0.226 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.885 3.623 -0.337 1.00 0.00 H new ATOM 0 HH TYR A 37 5.254 1.704 -3.220 1.00 0.00 H new ATOM 577 N VAL A 38 0.499 -2.052 1.410 1.00 0.00 N ATOM 578 CA VAL A 38 -0.094 -3.336 1.755 1.00 0.00 C ATOM 579 C VAL A 38 0.948 -4.340 2.262 1.00 0.00 C ATOM 580 O VAL A 38 2.152 -4.134 2.115 1.00 0.00 O ATOM 581 CB VAL A 38 -0.830 -3.917 0.539 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.502 -5.225 0.891 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.851 -2.921 0.018 1.00 0.00 C ATOM 0 H VAL A 38 1.000 -2.039 0.522 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.800 -3.160 2.566 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.097 -4.111 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.017 -5.617 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.751 -5.942 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.223 -5.060 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.366 -3.345 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.576 -2.700 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.345 -2.002 -0.278 1.00 0.00 H new ATOM 593 N ARG A 39 0.442 -5.420 2.868 1.00 0.00 N ATOM 594 CA ARG A 39 1.257 -6.500 3.435 1.00 0.00 C ATOM 595 C ARG A 39 2.641 -6.606 2.801 1.00 0.00 C ATOM 596 O ARG A 39 2.768 -6.730 1.584 1.00 0.00 O ATOM 597 CB ARG A 39 0.526 -7.835 3.280 1.00 0.00 C ATOM 598 CG ARG A 39 -0.865 -7.845 3.892 1.00 0.00 C ATOM 599 CD ARG A 39 -0.812 -7.702 5.405 1.00 0.00 C ATOM 600 NE ARG A 39 -0.059 -8.786 6.028 1.00 0.00 N ATOM 601 CZ ARG A 39 0.283 -8.804 7.313 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.059 -7.800 8.109 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.968 -9.829 7.803 1.00 0.00 N ATOM 0 H ARG A 39 -0.561 -5.570 2.980 1.00 0.00 H new ATOM 0 HA ARG A 39 1.404 -6.260 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.448 -8.076 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.122 -8.621 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.455 -7.032 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.371 -8.774 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.355 -6.747 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.826 -7.688 5.804 1.00 0.00 H new ATOM 0 HE ARG A 39 0.221 -9.575 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.586 -7.010 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.205 -7.817 9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.232 -10.603 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.230 -9.843 8.789 1.00 0.00 H new ATOM 617 N SER A 40 3.671 -6.573 3.653 1.00 0.00 N ATOM 618 CA SER A 40 5.060 -6.677 3.207 1.00 0.00 C ATOM 619 C SER A 40 6.032 -6.347 4.339 1.00 0.00 C ATOM 620 O SER A 40 7.240 -6.528 4.195 1.00 0.00 O ATOM 621 CB SER A 40 5.318 -5.735 2.032 1.00 0.00 C ATOM 622 OG SER A 40 6.662 -5.825 1.591 1.00 0.00 O ATOM 0 H SER A 40 3.565 -6.474 4.663 1.00 0.00 H new ATOM 0 HA SER A 40 5.225 -7.707 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.645 -5.981 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.097 -4.710 2.329 1.00 0.00 H new ATOM 0 HG SER A 40 6.725 -6.483 0.867 1.00 0.00 H new ATOM 628 N HIS A 41 5.492 -5.870 5.461 1.00 0.00 N ATOM 629 CA HIS A 41 6.306 -5.491 6.619 1.00 0.00 C ATOM 630 C HIS A 41 7.468 -6.455 6.843 1.00 0.00 C ATOM 631 O HIS A 41 7.270 -7.634 7.134 1.00 0.00 O ATOM 632 CB HIS A 41 5.452 -5.427 7.882 1.00 0.00 C ATOM 633 CG HIS A 41 4.135 -4.743 7.684 1.00 0.00 C ATOM 634 ND1 HIS A 41 2.988 -5.410 7.309 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.785 -3.441 7.815 1.00 0.00 C ATOM 636 CE1 HIS A 41 1.990 -4.548 7.217 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.448 -3.347 7.518 1.00 0.00 N ATOM 0 H HIS A 41 4.490 -5.736 5.594 1.00 0.00 H new ATOM 0 HA HIS A 41 6.717 -4.505 6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.275 -6.441 8.242 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.009 -4.905 8.660 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.437 -2.628 8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.973 -4.786 6.942 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.898 -2.488 7.528 1.00 0.00 H new ATOM 646 N SER A 42 8.677 -5.923 6.713 1.00 0.00 N ATOM 647 CA SER A 42 9.906 -6.691 6.894 1.00 0.00 C ATOM 648 C SER A 42 11.091 -5.737 6.920 1.00 0.00 C ATOM 649 O SER A 42 12.248 -6.156 6.967 1.00 0.00 O ATOM 650 CB SER A 42 10.082 -7.687 5.751 1.00 0.00 C ATOM 651 OG SER A 42 9.070 -8.679 5.764 1.00 0.00 O ATOM 0 H SER A 42 8.835 -4.943 6.478 1.00 0.00 H new ATOM 0 HA SER A 42 9.848 -7.240 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.061 -7.157 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.060 -8.163 5.829 1.00 0.00 H new ATOM 0 HG SER A 42 8.492 -8.547 6.544 1.00 0.00 H new ATOM 657 N THR A 43 10.761 -4.448 6.870 1.00 0.00 N ATOM 658 CA THR A 43 11.740 -3.354 6.869 1.00 0.00 C ATOM 659 C THR A 43 13.080 -3.753 7.483 1.00 0.00 C ATOM 660 O THR A 43 13.130 -4.390 8.536 1.00 0.00 O ATOM 661 CB THR A 43 11.204 -2.119 7.620 1.00 0.00 C ATOM 662 OG1 THR A 43 11.850 -1.995 8.892 1.00 0.00 O ATOM 663 CG2 THR A 43 9.699 -2.211 7.822 1.00 0.00 C ATOM 0 H THR A 43 9.794 -4.126 6.828 1.00 0.00 H new ATOM 0 HA THR A 43 11.902 -3.112 5.819 1.00 0.00 H new ATOM 0 HB THR A 43 11.420 -1.239 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.503 -1.207 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.349 -1.327 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.205 -2.271 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.464 -3.102 8.404 1.00 0.00 H new ATOM 671 N GLN A 44 14.167 -3.355 6.821 1.00 0.00 N ATOM 672 CA GLN A 44 15.509 -3.669 7.296 1.00 0.00 C ATOM 673 C GLN A 44 16.547 -2.704 6.715 1.00 0.00 C ATOM 674 O GLN A 44 17.748 -2.948 6.815 1.00 0.00 O ATOM 675 CB GLN A 44 15.875 -5.109 6.929 1.00 0.00 C ATOM 676 CG GLN A 44 17.050 -5.661 7.720 1.00 0.00 C ATOM 677 CD GLN A 44 17.474 -7.040 7.254 1.00 0.00 C ATOM 678 OE1 GLN A 44 17.345 -7.377 6.077 1.00 0.00 O ATOM 679 NE2 GLN A 44 17.982 -7.847 8.178 1.00 0.00 N ATOM 0 H GLN A 44 14.141 -2.815 5.956 1.00 0.00 H new ATOM 0 HA GLN A 44 15.513 -3.559 8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.007 -5.748 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.110 -5.155 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.894 -4.977 7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.783 -5.705 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.071 -7.526 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.284 -8.788 7.924 1.00 0.00 H new ATOM 688 N THR A 45 16.074 -1.618 6.094 1.00 0.00 N ATOM 689 CA THR A 45 16.954 -0.609 5.506 1.00 0.00 C ATOM 690 C THR A 45 17.875 -1.216 4.460 1.00 0.00 C ATOM 691 O THR A 45 17.877 -2.428 4.241 1.00 0.00 O ATOM 692 CB THR A 45 17.799 0.132 6.567 1.00 0.00 C ATOM 693 OG1 THR A 45 18.577 -0.794 7.333 1.00 0.00 O ATOM 694 CG2 THR A 45 16.909 0.946 7.494 1.00 0.00 C ATOM 0 H THR A 45 15.080 -1.417 5.987 1.00 0.00 H new ATOM 0 HA THR A 45 16.297 0.118 5.028 1.00 0.00 H new ATOM 0 HB THR A 45 18.473 0.809 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.650 -1.641 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.525 1.459 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.353 1.681 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.210 0.282 8.003 1.00 0.00 H new ATOM 702 N LEU A 46 18.657 -0.363 3.810 1.00 0.00 N ATOM 703 CA LEU A 46 19.568 -0.811 2.766 1.00 0.00 C ATOM 704 C LEU A 46 21.019 -0.653 3.209 1.00 0.00 C ATOM 705 O LEU A 46 21.515 0.460 3.368 1.00 0.00 O ATOM 706 CB LEU A 46 19.315 -0.033 1.472 1.00 0.00 C ATOM 707 CG LEU A 46 18.168 -0.563 0.602 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.898 -0.733 1.421 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.917 0.369 -0.572 1.00 0.00 C ATOM 0 H LEU A 46 18.678 0.641 3.987 1.00 0.00 H new ATOM 0 HA LEU A 46 19.383 -1.869 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.105 1.006 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.230 -0.037 0.880 1.00 0.00 H new ATOM 0 HG LEU A 46 18.460 -1.540 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.100 -1.110 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.079 -1.441 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.603 0.229 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.100 -0.022 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.652 1.359 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.819 0.440 -1.180 1.00 0.00 H new ATOM 721 N THR A 47 21.690 -1.783 3.411 1.00 0.00 N ATOM 722 CA THR A 47 23.088 -1.788 3.827 1.00 0.00 C ATOM 723 C THR A 47 23.942 -2.441 2.755 1.00 0.00 C ATOM 724 O THR A 47 23.467 -3.319 2.034 1.00 0.00 O ATOM 725 CB THR A 47 23.282 -2.560 5.147 1.00 0.00 C ATOM 726 OG1 THR A 47 22.309 -2.139 6.111 1.00 0.00 O ATOM 727 CG2 THR A 47 24.680 -2.340 5.706 1.00 0.00 C ATOM 0 H THR A 47 21.285 -2.712 3.292 1.00 0.00 H new ATOM 0 HA THR A 47 23.390 -0.752 3.978 1.00 0.00 H new ATOM 0 HB THR A 47 23.153 -3.622 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.634 -1.340 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.791 -2.895 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.419 -2.689 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.833 -1.278 5.897 1.00 0.00 H new ATOM 735 N CYS A 48 25.198 -2.026 2.638 1.00 0.00 N ATOM 736 CA CYS A 48 26.066 -2.621 1.641 1.00 0.00 C ATOM 737 C CYS A 48 26.627 -3.921 2.195 1.00 0.00 C ATOM 738 O CYS A 48 27.350 -3.932 3.190 1.00 0.00 O ATOM 739 CB CYS A 48 27.186 -1.663 1.235 1.00 0.00 C ATOM 740 SG CYS A 48 28.309 -2.329 -0.033 1.00 0.00 S ATOM 0 H CYS A 48 25.626 -1.297 3.208 1.00 0.00 H new ATOM 0 HA CYS A 48 25.490 -2.830 0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.743 -0.739 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.767 -1.404 2.120 1.00 0.00 H new ATOM 745 N ASN A 49 26.274 -5.013 1.538 1.00 0.00 N ATOM 746 CA ASN A 49 26.763 -6.326 1.924 1.00 0.00 C ATOM 747 C ASN A 49 27.975 -6.684 1.068 1.00 0.00 C ATOM 748 O ASN A 49 28.358 -5.921 0.181 1.00 0.00 O ATOM 749 CB ASN A 49 25.658 -7.370 1.755 1.00 0.00 C ATOM 750 CG ASN A 49 24.880 -7.167 0.473 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.894 -6.282 0.519 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.166 -7.787 -0.547 1.00 0.00 N flip ATOM 0 H ASN A 49 25.649 -5.016 0.732 1.00 0.00 H new ATOM 0 HA ASN A 49 27.060 -6.311 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.098 -8.367 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.977 -7.319 2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.933 -8.459 -0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.636 -7.630 -1.405 1.00 0.00 H new ATOM 759 N SER A 50 28.581 -7.834 1.330 1.00 0.00 N ATOM 760 CA SER A 50 29.744 -8.264 0.557 1.00 0.00 C ATOM 761 C SER A 50 29.275 -9.060 -0.658 1.00 0.00 C ATOM 762 O SER A 50 29.595 -10.236 -0.825 1.00 0.00 O ATOM 763 CB SER A 50 30.683 -9.105 1.423 1.00 0.00 C ATOM 764 OG SER A 50 31.785 -9.580 0.669 1.00 0.00 O ATOM 0 H SER A 50 28.293 -8.482 2.063 1.00 0.00 H new ATOM 0 HA SER A 50 30.296 -7.387 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 50 31.042 -8.508 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.136 -9.949 1.844 1.00 0.00 H new ATOM 0 HG SER A 50 31.459 -10.084 -0.105 1.00 0.00 H new ATOM 770 N ASP A 51 28.505 -8.378 -1.497 1.00 0.00 N ATOM 771 CA ASP A 51 27.936 -8.947 -2.715 1.00 0.00 C ATOM 772 C ASP A 51 27.788 -7.870 -3.781 1.00 0.00 C ATOM 773 O ASP A 51 27.285 -8.128 -4.875 1.00 0.00 O ATOM 774 CB ASP A 51 26.557 -9.527 -2.419 1.00 0.00 C ATOM 775 CG ASP A 51 26.569 -10.499 -1.255 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.442 -10.044 -0.099 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.703 -11.717 -1.499 1.00 0.00 O ATOM 0 H ASP A 51 28.254 -7.400 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 51 28.604 -9.730 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.864 -8.714 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.183 -10.035 -3.308 1.00 0.00 H new ATOM 782 N GLY A 52 28.233 -6.662 -3.452 1.00 0.00 N ATOM 783 CA GLY A 52 28.110 -5.554 -4.380 1.00 0.00 C ATOM 784 C GLY A 52 26.667 -5.291 -4.757 1.00 0.00 C ATOM 785 O GLY A 52 26.359 -4.621 -5.742 1.00 0.00 O ATOM 0 H GLY A 52 28.675 -6.431 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.538 -4.657 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.687 -5.768 -5.280 1.00 0.00 H new ATOM 789 N GLU A 53 25.796 -5.853 -3.930 1.00 0.00 N ATOM 790 CA GLU A 53 24.359 -5.685 -4.095 1.00 0.00 C ATOM 791 C GLU A 53 23.737 -5.193 -2.799 1.00 0.00 C ATOM 792 O GLU A 53 24.350 -5.288 -1.738 1.00 0.00 O ATOM 793 CB GLU A 53 23.711 -7.007 -4.512 1.00 0.00 C ATOM 794 CG GLU A 53 23.507 -7.980 -3.359 1.00 0.00 C ATOM 795 CD GLU A 53 22.916 -9.301 -3.807 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.672 -9.414 -3.841 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.696 -10.223 -4.125 1.00 0.00 O ATOM 0 H GLU A 53 26.062 -6.432 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 53 24.185 -4.946 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.746 -6.798 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.332 -7.482 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.463 -8.162 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.850 -7.526 -2.617 1.00 0.00 H new ATOM 804 N TRP A 54 22.532 -4.646 -2.887 1.00 0.00 N ATOM 805 CA TRP A 54 21.835 -4.169 -1.714 1.00 0.00 C ATOM 806 C TRP A 54 20.911 -5.256 -1.198 1.00 0.00 C ATOM 807 O TRP A 54 19.901 -5.599 -1.815 1.00 0.00 O ATOM 808 CB TRP A 54 21.064 -2.901 -2.053 1.00 0.00 C ATOM 809 CG TRP A 54 21.964 -1.764 -2.423 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.197 -1.276 -3.674 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.767 -0.987 -1.532 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.088 -0.232 -3.614 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.454 -0.036 -2.308 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.965 -1.001 -0.152 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.328 0.893 -1.747 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.833 -0.081 0.406 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.505 0.855 -0.392 1.00 0.00 C ATOM 0 H TRP A 54 22.022 -4.524 -3.762 1.00 0.00 H new ATOM 0 HA TRP A 54 22.551 -3.927 -0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.382 -3.104 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.452 -2.612 -1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.747 -1.655 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.423 0.309 -4.411 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.449 -1.718 0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.846 1.616 -2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.996 -0.084 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.177 1.561 0.073 1.00 0.00 H new ATOM 828 N VAL A 55 21.291 -5.785 -0.046 1.00 0.00 N ATOM 829 CA VAL A 55 20.580 -6.872 0.600 1.00 0.00 C ATOM 830 C VAL A 55 19.620 -6.324 1.645 1.00 0.00 C ATOM 831 O VAL A 55 19.934 -5.338 2.312 1.00 0.00 O ATOM 832 CB VAL A 55 21.586 -7.829 1.278 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.001 -8.462 2.526 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.053 -8.894 0.303 1.00 0.00 C ATOM 0 H VAL A 55 22.111 -5.467 0.471 1.00 0.00 H new ATOM 0 HA VAL A 55 20.014 -7.416 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 55 22.449 -7.237 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.737 -9.128 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.735 -7.682 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.110 -9.031 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.761 -9.557 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.196 -9.472 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.538 -8.419 -0.550 1.00 0.00 H new ATOM 844 N TYR A 56 18.468 -6.982 1.802 1.00 0.00 N ATOM 845 CA TYR A 56 17.489 -6.573 2.811 1.00 0.00 C ATOM 846 C TYR A 56 16.120 -7.210 2.573 1.00 0.00 C ATOM 847 O TYR A 56 15.877 -7.781 1.510 1.00 0.00 O ATOM 848 CB TYR A 56 17.337 -5.046 2.858 1.00 0.00 C ATOM 849 CG TYR A 56 16.831 -4.443 1.561 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.700 -4.166 0.514 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.483 -4.156 1.385 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.242 -3.621 -0.671 1.00 0.00 C ATOM 853 CE2 TYR A 56 15.017 -3.610 0.205 1.00 0.00 C ATOM 854 CZ TYR A 56 15.900 -3.345 -0.820 1.00 0.00 C ATOM 855 OH TYR A 56 15.440 -2.804 -1.998 1.00 0.00 O ATOM 0 H TYR A 56 18.193 -7.793 1.248 1.00 0.00 H new ATOM 0 HA TYR A 56 17.873 -6.924 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.651 -4.783 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.301 -4.601 3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.752 -4.380 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.787 -4.363 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.932 -3.413 -1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.966 -3.392 0.086 1.00 0.00 H new ATOM 0 HH TYR A 56 14.471 -2.671 -1.941 1.00 0.00 H new ATOM 865 N ASN A 57 15.231 -7.115 3.555 1.00 0.00 N ATOM 866 CA ASN A 57 13.900 -7.693 3.417 1.00 0.00 C ATOM 867 C ASN A 57 12.925 -6.653 2.889 1.00 0.00 C ATOM 868 O ASN A 57 13.254 -5.471 2.804 1.00 0.00 O ATOM 869 CB ASN A 57 13.406 -8.239 4.758 1.00 0.00 C ATOM 870 CG ASN A 57 14.264 -9.376 5.273 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.266 -9.042 6.076 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 14.026 -10.541 4.956 1.00 0.00 N flip ATOM 0 H ASN A 57 15.405 -6.649 4.446 1.00 0.00 H new ATOM 0 HA ASN A 57 13.958 -8.517 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.396 -7.434 5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.378 -8.584 4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.244 -10.751 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.610 -11.296 5.314 1.00 0.00 H new ATOM 879 N THR A 58 11.721 -7.090 2.545 1.00 0.00 N ATOM 880 CA THR A 58 10.713 -6.182 2.041 1.00 0.00 C ATOM 881 C THR A 58 10.181 -5.347 3.188 1.00 0.00 C ATOM 882 O THR A 58 10.808 -5.269 4.241 1.00 0.00 O ATOM 883 CB THR A 58 9.550 -6.941 1.376 1.00 0.00 C ATOM 884 OG1 THR A 58 9.601 -8.328 1.733 1.00 0.00 O ATOM 885 CG2 THR A 58 9.604 -6.798 -0.138 1.00 0.00 C ATOM 0 H THR A 58 11.424 -8.064 2.607 1.00 0.00 H new ATOM 0 HA THR A 58 11.173 -5.544 1.286 1.00 0.00 H new ATOM 0 HB THR A 58 8.614 -6.510 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.857 -8.803 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.772 -7.343 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.533 -5.744 -0.407 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.545 -7.205 -0.509 1.00 0.00 H new ATOM 893 N PHE A 59 9.038 -4.716 2.987 1.00 0.00 N ATOM 894 CA PHE A 59 8.439 -3.906 4.033 1.00 0.00 C ATOM 895 C PHE A 59 7.112 -3.320 3.572 1.00 0.00 C ATOM 896 O PHE A 59 6.197 -3.122 4.371 1.00 0.00 O ATOM 897 CB PHE A 59 9.397 -2.793 4.476 1.00 0.00 C ATOM 898 CG PHE A 59 10.113 -2.104 3.348 1.00 0.00 C ATOM 899 CD1 PHE A 59 9.441 -1.232 2.508 1.00 0.00 C ATOM 900 CD2 PHE A 59 11.463 -2.327 3.136 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.104 -0.596 1.477 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.132 -1.693 2.108 1.00 0.00 C ATOM 903 CZ PHE A 59 11.452 -0.827 1.276 1.00 0.00 C ATOM 0 H PHE A 59 8.509 -4.748 2.116 1.00 0.00 H new ATOM 0 HA PHE A 59 8.246 -4.551 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.834 -2.050 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.137 -3.216 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 59 8.388 -1.047 2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.999 -3.005 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.569 0.082 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.186 -1.874 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.972 -0.331 0.470 1.00 0.00 H new ATOM 913 N CYS A 60 7.014 -3.062 2.274 1.00 0.00 N ATOM 914 CA CYS A 60 5.807 -2.496 1.688 1.00 0.00 C ATOM 915 C CYS A 60 5.697 -2.895 0.216 1.00 0.00 C ATOM 916 O CYS A 60 6.709 -3.165 -0.429 1.00 0.00 O ATOM 917 CB CYS A 60 5.831 -0.975 1.832 1.00 0.00 C ATOM 918 SG CYS A 60 6.019 -0.391 3.548 1.00 0.00 S ATOM 0 H CYS A 60 7.762 -3.238 1.603 1.00 0.00 H new ATOM 0 HA CYS A 60 4.935 -2.886 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.650 -0.577 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.908 -0.567 1.420 1.00 0.00 H new ATOM 923 N ILE A 61 4.472 -2.948 -0.316 1.00 0.00 N ATOM 924 CA ILE A 61 4.277 -3.327 -1.716 1.00 0.00 C ATOM 925 C ILE A 61 3.157 -2.539 -2.382 1.00 0.00 C ATOM 926 O ILE A 61 3.293 -2.113 -3.530 1.00 0.00 O ATOM 927 CB ILE A 61 3.973 -4.832 -1.865 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.638 -5.186 -1.211 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.091 -5.654 -1.257 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.260 -6.641 -1.369 1.00 0.00 C ATOM 0 H ILE A 61 3.614 -2.737 0.193 1.00 0.00 H new ATOM 0 HA ILE A 61 5.218 -3.093 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 61 3.903 -5.063 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.686 -4.944 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.854 -4.565 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.865 -6.714 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.028 -5.427 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.186 -5.412 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.302 -6.823 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.180 -6.883 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.025 -7.268 -0.911 1.00 0.00 H new ATOM 942 N TYR A 62 2.052 -2.361 -1.667 1.00 0.00 N ATOM 943 CA TYR A 62 0.902 -1.627 -2.205 1.00 0.00 C ATOM 944 C TYR A 62 0.163 -2.453 -3.258 1.00 0.00 C ATOM 945 O TYR A 62 0.715 -2.822 -4.295 1.00 0.00 O ATOM 946 CB TYR A 62 1.346 -0.286 -2.795 1.00 0.00 C ATOM 947 CG TYR A 62 0.562 0.897 -2.281 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.814 0.985 -2.454 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.207 1.929 -1.615 1.00 0.00 C ATOM 950 CE1 TYR A 62 -1.522 2.070 -1.976 1.00 0.00 C ATOM 951 CE2 TYR A 62 0.510 3.015 -1.135 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.853 3.083 -1.317 1.00 0.00 C ATOM 953 OH TYR A 62 -1.544 4.165 -0.833 1.00 0.00 O ATOM 0 H TYR A 62 1.924 -2.711 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 62 0.214 -1.435 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.402 -0.134 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.252 -0.328 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.337 0.193 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.276 1.880 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.591 2.126 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.029 3.809 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.959 4.692 -0.249 1.00 0.00 H new ATOM 963 N LYS A 63 -1.103 -2.725 -2.952 1.00 0.00 N ATOM 964 CA LYS A 63 -1.994 -3.501 -3.811 1.00 0.00 C ATOM 965 C LYS A 63 -3.428 -3.261 -3.358 1.00 0.00 C ATOM 966 O LYS A 63 -3.821 -3.692 -2.275 1.00 0.00 O ATOM 967 CB LYS A 63 -1.661 -4.999 -3.775 1.00 0.00 C ATOM 968 CG LYS A 63 -1.178 -5.510 -2.427 1.00 0.00 C ATOM 969 CD LYS A 63 -1.709 -6.906 -2.139 1.00 0.00 C ATOM 970 CE LYS A 63 -0.833 -7.651 -1.151 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.432 -8.951 -0.742 1.00 0.00 N ATOM 0 H LYS A 63 -1.545 -2.408 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.864 -3.175 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.548 -5.562 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.895 -5.205 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.088 -5.523 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.500 -4.827 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.722 -6.835 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.769 -7.471 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.146 -7.827 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.675 -7.031 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.913 -9.331 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.429 -8.808 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.373 -9.624 -1.532 1.00 0.00 H new ATOM 985 N ARG A 64 -4.213 -2.575 -4.187 1.00 0.00 N ATOM 986 CA ARG A 64 -5.590 -2.244 -3.845 1.00 0.00 C ATOM 987 C ARG A 64 -6.563 -3.243 -4.462 1.00 0.00 C ATOM 988 O ARG A 64 -6.192 -4.377 -4.756 1.00 0.00 O ATOM 989 CB ARG A 64 -5.923 -0.825 -4.318 1.00 0.00 C ATOM 990 CG ARG A 64 -5.506 -0.537 -5.751 1.00 0.00 C ATOM 991 CD ARG A 64 -4.054 -0.094 -5.832 1.00 0.00 C ATOM 992 NE ARG A 64 -3.640 0.168 -7.207 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.383 0.406 -7.568 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.420 0.424 -6.655 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.086 0.627 -8.841 1.00 0.00 N ATOM 0 H ARG A 64 -3.915 -2.238 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.693 -2.294 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.997 -0.664 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.434 -0.109 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.649 -1.430 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.148 0.239 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.915 0.806 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.415 -0.865 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.357 0.168 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.644 0.255 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.456 0.607 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.823 0.615 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.121 0.809 -9.115 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.806 -2.817 -4.664 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.828 -3.679 -5.235 1.00 0.00 C ATOM 1011 C CYS A 65 -9.557 -2.968 -6.360 1.00 0.00 C ATOM 1012 O CYS A 65 -9.550 -1.739 -6.432 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.834 -4.075 -4.156 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.651 -3.151 -2.600 1.00 0.00 S ATOM 0 H CYS A 65 -8.128 -1.876 -4.439 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.343 -4.571 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.843 -3.923 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.729 -5.140 -3.949 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.184 -3.738 -7.240 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.934 -3.152 -8.334 1.00 0.00 C ATOM 1021 C ARG A 66 -12.014 -2.247 -7.766 1.00 0.00 C ATOM 1022 O ARG A 66 -12.586 -2.535 -6.718 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.552 -4.241 -9.215 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.519 -3.709 -10.265 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.870 -2.653 -11.146 1.00 0.00 C ATOM 1026 NE ARG A 66 -12.715 -2.291 -12.280 1.00 0.00 N ATOM 1027 CZ ARG A 66 -12.439 -1.296 -13.118 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -11.352 -0.557 -12.942 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -13.254 -1.037 -14.132 1.00 0.00 N ATOM 0 H ARG A 66 -10.187 -4.758 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.260 -2.565 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.752 -4.788 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.077 -4.954 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.872 -4.533 -10.885 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.393 -3.284 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.661 -1.764 -10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.913 -3.024 -11.511 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.565 -2.832 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.724 -0.751 -12.162 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.144 0.205 -13.587 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.093 -1.601 -14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.042 -0.274 -14.775 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.291 -1.158 -8.457 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.310 -0.221 -8.011 1.00 0.00 C ATOM 1045 C HIS A 67 -14.690 -0.880 -8.051 1.00 0.00 C ATOM 1046 O HIS A 67 -15.195 -1.198 -9.127 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.298 1.025 -8.898 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.106 2.160 -8.354 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.403 2.420 -8.743 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.791 3.111 -7.444 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.850 3.481 -8.098 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.892 3.920 -7.301 1.00 0.00 N ATOM 0 H HIS A 67 -11.827 -0.899 -9.328 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.092 0.072 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.268 1.355 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.678 0.761 -9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.849 3.215 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.833 3.917 -8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.959 4.727 -6.681 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.317 -1.099 -6.876 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.642 -1.723 -6.791 1.00 0.00 C ATOM 1063 C PRO A 68 -17.640 -1.059 -7.730 1.00 0.00 C ATOM 1064 O PRO A 68 -18.623 -1.678 -8.138 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.053 -1.534 -5.325 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.061 -0.575 -4.749 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.802 -0.748 -5.548 1.00 0.00 C ATOM 0 HA PRO A 68 -16.621 -2.771 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.067 -1.141 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.038 -2.483 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.426 0.450 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.885 -0.784 -3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.207 0.165 -5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.166 -1.533 -5.139 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.385 0.195 -8.076 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.288 0.918 -8.947 1.00 0.00 C ATOM 1077 C GLY A 69 -19.325 1.692 -8.160 1.00 0.00 C ATOM 1078 O GLY A 69 -19.630 1.355 -7.020 1.00 0.00 O ATOM 0 H GLY A 69 -16.569 0.724 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.718 1.605 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.787 0.217 -9.616 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.840 2.739 -8.782 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.858 3.596 -8.176 1.00 0.00 C ATOM 1084 C GLU A 70 -21.829 2.822 -7.288 1.00 0.00 C ATOM 1085 O GLU A 70 -22.218 1.692 -7.587 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.628 4.343 -9.264 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.655 5.324 -8.723 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.029 6.426 -7.891 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.474 7.374 -8.483 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.092 6.339 -6.646 1.00 0.00 O ATOM 0 H GLU A 70 -19.567 3.023 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.336 4.307 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.920 4.882 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.133 3.618 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.201 5.768 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -23.382 4.785 -8.116 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.207 3.466 -6.192 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.166 2.912 -5.247 1.00 0.00 C ATOM 1099 C LEU A 71 -24.514 3.589 -5.488 1.00 0.00 C ATOM 1100 O LEU A 71 -24.718 4.736 -5.093 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.683 3.132 -3.808 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.750 2.972 -2.725 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.215 1.527 -2.622 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.233 3.466 -1.384 1.00 0.00 C ATOM 0 H LEU A 71 -21.857 4.388 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.267 1.837 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.874 2.431 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.262 4.135 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.608 3.581 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.974 1.444 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.638 1.212 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.367 0.889 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.008 3.343 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.353 2.890 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -22.967 4.520 -1.463 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.426 2.875 -6.145 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.745 3.428 -6.445 1.00 0.00 C ATOM 1118 C ARG A 72 -27.528 3.707 -5.167 1.00 0.00 C ATOM 1119 O ARG A 72 -27.702 2.842 -4.307 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.529 2.516 -7.387 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.923 3.025 -7.714 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.633 2.113 -8.702 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.665 0.726 -8.243 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.462 -0.204 -8.760 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.296 0.104 -9.744 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -30.425 -1.444 -8.293 1.00 0.00 N ATOM 0 H ARG A 72 -25.278 1.922 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.596 4.379 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.968 2.399 -8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.610 1.527 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.509 3.097 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.856 4.031 -8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.652 2.468 -8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.130 2.164 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.041 0.456 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.327 1.057 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.906 -0.612 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.785 -1.685 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.037 -2.157 -8.690 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.983 4.958 -5.082 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.728 5.475 -3.939 1.00 0.00 C ATOM 1142 C ASN A 73 -27.766 5.721 -2.788 1.00 0.00 C ATOM 1143 O ASN A 73 -28.196 5.868 -1.643 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.862 4.533 -3.528 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.835 4.265 -4.661 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.023 5.254 -5.528 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.413 3.182 -4.754 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.841 5.649 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.197 6.417 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.439 3.588 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.401 4.965 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.239 2.450 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.066 3.017 -5.520 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.472 5.780 -3.076 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.528 6.027 -2.007 1.00 0.00 C ATOM 1156 C GLY A 74 -24.251 6.701 -2.462 1.00 0.00 C ATOM 1157 O GLY A 74 -24.167 7.222 -3.575 1.00 0.00 O ATOM 0 H GLY A 74 -26.068 5.665 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.006 6.649 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.277 5.079 -1.530 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.256 6.685 -1.583 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.972 7.305 -1.879 1.00 0.00 C ATOM 1163 C GLN A 75 -20.816 6.374 -1.529 1.00 0.00 C ATOM 1164 O GLN A 75 -20.829 5.702 -0.496 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.822 8.629 -1.124 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.704 8.465 0.382 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.368 9.764 1.090 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.698 9.765 2.122 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -21.837 10.880 0.541 1.00 0.00 N ATOM 0 H GLN A 75 -23.314 6.250 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.942 7.504 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -20.939 9.150 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.681 9.262 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.643 8.075 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.934 7.726 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -22.389 10.834 -0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -21.645 11.782 0.976 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.820 6.340 -2.406 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.644 5.508 -2.192 1.00 0.00 C ATOM 1180 C VAL A 76 -17.477 6.373 -1.739 1.00 0.00 C ATOM 1181 O VAL A 76 -16.885 7.094 -2.543 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.248 4.733 -3.465 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.935 3.993 -3.256 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.352 3.768 -3.868 1.00 0.00 C ATOM 0 H VAL A 76 -19.804 6.879 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.891 4.779 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.109 5.450 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.673 3.452 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.148 4.709 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.042 3.287 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.054 3.230 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.526 3.056 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.268 4.325 -4.064 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.148 6.306 -0.455 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.052 7.097 0.084 1.00 0.00 C ATOM 1196 C GLU A 77 -14.711 6.434 -0.198 1.00 0.00 C ATOM 1197 O GLU A 77 -14.338 5.458 0.453 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.226 7.295 1.591 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.103 8.094 2.229 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.069 9.534 1.758 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.812 10.363 2.326 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.301 9.834 0.819 1.00 0.00 O ATOM 0 H GLU A 77 -17.622 5.715 0.228 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.068 8.070 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.173 7.802 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.287 6.319 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.218 8.073 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.149 7.619 2.000 1.00 0.00 H new ATOM 1209 N ILE A 78 -13.994 6.969 -1.178 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.688 6.440 -1.545 1.00 0.00 C ATOM 1211 C ILE A 78 -11.590 7.416 -1.140 1.00 0.00 C ATOM 1212 O ILE A 78 -11.214 8.304 -1.906 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.596 6.157 -3.058 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.675 5.153 -3.482 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.209 5.640 -3.419 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.508 3.776 -2.870 1.00 0.00 C ATOM 0 H ILE A 78 -14.296 7.770 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.554 5.498 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.765 7.090 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.653 5.547 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.665 5.061 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.161 5.445 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.461 6.387 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.011 4.717 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.309 3.124 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.546 3.360 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.549 3.853 -1.784 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.090 7.248 0.078 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.044 8.114 0.610 1.00 0.00 C ATOM 1230 C LYS A 79 -8.754 7.346 0.821 1.00 0.00 C ATOM 1231 O LYS A 79 -7.839 7.817 1.497 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.486 8.732 1.937 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.595 7.732 3.083 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.720 6.737 2.873 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.799 5.752 4.024 1.00 0.00 C ATOM 1236 NZ LYS A 79 -10.455 5.276 4.449 1.00 0.00 N ATOM 0 H LYS A 79 -11.394 6.516 0.720 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.868 8.905 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.778 9.512 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.453 9.215 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.652 7.195 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.758 8.270 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.667 7.268 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.563 6.198 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.300 6.223 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.408 4.898 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.541 4.743 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.056 4.660 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.828 6.093 4.594 1.00 0.00 H new ATOM 1250 N THR A 80 -8.686 6.169 0.231 1.00 0.00 N ATOM 1251 CA THR A 80 -7.512 5.331 0.362 1.00 0.00 C ATOM 1252 C THR A 80 -7.281 4.549 -0.913 1.00 0.00 C ATOM 1253 O THR A 80 -6.460 3.632 -0.953 1.00 0.00 O ATOM 1254 CB THR A 80 -7.657 4.351 1.538 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.804 3.516 1.343 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.790 5.105 2.853 1.00 0.00 C ATOM 0 H THR A 80 -9.430 5.772 -0.343 1.00 0.00 H new ATOM 0 HA THR A 80 -6.660 5.983 0.552 1.00 0.00 H new ATOM 0 HB THR A 80 -6.761 3.731 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.888 2.894 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.891 4.393 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.903 5.718 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.671 5.745 2.818 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.019 4.918 -1.957 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.896 4.241 -3.243 1.00 0.00 C ATOM 1266 C ASP A 81 -8.231 2.768 -3.104 1.00 0.00 C ATOM 1267 O ASP A 81 -8.002 1.975 -4.018 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.474 4.365 -3.758 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.104 5.787 -4.130 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.367 6.186 -5.283 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.550 6.501 -3.267 1.00 0.00 O ATOM 0 H ASP A 81 -8.702 5.675 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.591 4.709 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.784 4.003 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.351 3.723 -4.630 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.758 2.417 -1.939 1.00 0.00 N ATOM 1277 CA LEU A 82 -9.118 1.041 -1.634 1.00 0.00 C ATOM 1278 C LEU A 82 -7.854 0.216 -1.492 1.00 0.00 C ATOM 1279 O LEU A 82 -7.708 -0.830 -2.121 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.978 0.481 -2.754 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.124 1.382 -3.195 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.924 1.845 -4.629 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -12.439 0.655 -3.043 1.00 0.00 C ATOM 0 H LEU A 82 -8.947 3.075 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.681 1.005 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.341 0.280 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.390 -0.475 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.139 2.267 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.754 2.487 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.990 2.402 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.884 0.978 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -13.254 1.306 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.431 -0.244 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.583 0.377 -1.999 1.00 0.00 H new ATOM 1295 N SER A 83 -6.957 0.675 -0.637 1.00 0.00 N ATOM 1296 CA SER A 83 -5.709 -0.030 -0.391 1.00 0.00 C ATOM 1297 C SER A 83 -5.917 -1.111 0.664 1.00 0.00 C ATOM 1298 O SER A 83 -6.454 -0.841 1.739 1.00 0.00 O ATOM 1299 CB SER A 83 -4.625 0.948 0.068 1.00 0.00 C ATOM 1300 OG SER A 83 -5.009 1.613 1.259 1.00 0.00 O ATOM 0 H SER A 83 -7.069 1.535 -0.100 1.00 0.00 H new ATOM 0 HA SER A 83 -5.386 -0.499 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.692 0.410 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.436 1.681 -0.717 1.00 0.00 H new ATOM 0 HG SER A 83 -5.621 1.043 1.769 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.503 -2.335 0.343 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.635 -3.468 1.258 1.00 0.00 C ATOM 1308 C PHE A 84 -5.352 -3.036 2.696 1.00 0.00 C ATOM 1309 O PHE A 84 -4.442 -2.245 2.945 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.672 -4.580 0.831 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.743 -5.837 1.655 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -4.225 -5.875 2.939 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.311 -6.987 1.132 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.276 -7.033 3.689 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.367 -8.149 1.878 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.848 -8.173 3.158 1.00 0.00 C ATOM 0 H PHE A 84 -5.070 -2.569 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.658 -3.843 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.874 -4.834 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.654 -4.194 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.775 -4.987 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.715 -6.975 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.869 -7.048 4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.816 -9.038 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.889 -9.081 3.742 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.131 -3.560 3.639 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.951 -3.208 5.035 1.00 0.00 C ATOM 1328 C GLY A 85 -6.724 -1.959 5.418 1.00 0.00 C ATOM 1329 O GLY A 85 -6.171 -1.045 6.031 1.00 0.00 O ATOM 0 H GLY A 85 -6.885 -4.223 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.274 -4.039 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.891 -3.052 5.234 1.00 0.00 H new ATOM 1333 N SER A 86 -8.005 -1.922 5.058 1.00 0.00 N ATOM 1334 CA SER A 86 -8.855 -0.773 5.362 1.00 0.00 C ATOM 1335 C SER A 86 -10.314 -1.072 5.048 1.00 0.00 C ATOM 1336 O SER A 86 -10.816 -2.157 5.349 1.00 0.00 O ATOM 1337 CB SER A 86 -8.386 0.454 4.576 1.00 0.00 C ATOM 1338 OG SER A 86 -8.936 1.644 5.114 1.00 0.00 O ATOM 0 H SER A 86 -8.477 -2.674 4.556 1.00 0.00 H new ATOM 0 HA SER A 86 -8.774 -0.565 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.298 0.510 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.679 0.354 3.531 1.00 0.00 H new ATOM 0 HG SER A 86 -8.620 2.414 4.596 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.981 -0.104 4.431 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.388 -0.251 4.072 1.00 0.00 C ATOM 1346 C GLN A 87 -12.955 1.030 3.469 1.00 0.00 C ATOM 1347 O GLN A 87 -12.421 2.121 3.672 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.221 -0.652 5.297 1.00 0.00 C ATOM 1349 CG GLN A 87 -12.809 0.050 6.584 1.00 0.00 C ATOM 1350 CD GLN A 87 -13.010 1.553 6.535 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.051 1.992 5.838 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -12.244 2.310 7.129 1.00 0.00 N flip ATOM 0 H GLN A 87 -10.571 0.792 4.168 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.445 -1.038 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.270 -0.435 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.140 -1.729 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.384 -0.360 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.760 -0.163 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.456 1.930 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.397 3.318 7.098 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.043 0.880 2.719 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.711 2.013 2.089 1.00 0.00 C ATOM 1363 C ILE A 88 -16.162 2.100 2.557 1.00 0.00 C ATOM 1364 O ILE A 88 -17.016 1.333 2.116 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.665 1.921 0.549 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.263 0.596 0.067 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.233 2.070 0.059 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.440 0.517 -1.434 1.00 0.00 C ATOM 0 H ILE A 88 -14.482 -0.021 2.532 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.176 2.914 2.389 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.263 2.733 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.620 -0.222 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.231 0.449 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.212 2.004 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.840 3.038 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.619 1.276 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.868 -0.450 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.108 1.313 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.472 0.631 -1.921 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.433 3.030 3.463 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.778 3.199 4.000 1.00 0.00 C ATOM 1382 C GLU A 89 -18.765 3.595 2.906 1.00 0.00 C ATOM 1383 O GLU A 89 -18.372 4.030 1.823 1.00 0.00 O ATOM 1384 CB GLU A 89 -17.780 4.252 5.107 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.987 4.164 6.028 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.985 5.240 7.096 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.480 6.353 6.818 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.489 4.970 8.209 1.00 0.00 O ATOM 0 H GLU A 89 -15.742 3.678 3.841 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.093 2.242 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.872 4.145 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.750 5.243 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.898 4.247 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.005 3.184 6.505 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.052 3.441 3.203 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.112 3.782 2.261 1.00 0.00 C ATOM 1397 C PHE A 90 -22.222 4.543 2.974 1.00 0.00 C ATOM 1398 O PHE A 90 -22.465 4.324 4.161 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.694 2.519 1.624 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.659 1.559 1.117 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.077 1.737 -0.128 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.275 0.472 1.885 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.130 0.847 -0.597 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.330 -0.421 1.421 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.756 -0.233 0.178 1.00 0.00 C ATOM 0 H PHE A 90 -20.387 3.079 4.096 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.683 4.409 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.319 2.010 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.343 2.807 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.367 2.580 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.720 0.321 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.683 0.996 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.040 -1.265 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.016 -0.930 -0.187 1.00 0.00 H new ATOM 1415 N SER A 91 -22.895 5.436 2.256 1.00 0.00 N ATOM 1416 CA SER A 91 -23.978 6.214 2.844 1.00 0.00 C ATOM 1417 C SER A 91 -25.227 6.179 1.972 1.00 0.00 C ATOM 1418 O SER A 91 -25.219 6.642 0.832 1.00 0.00 O ATOM 1419 CB SER A 91 -23.538 7.661 3.068 1.00 0.00 C ATOM 1420 OG SER A 91 -22.391 7.724 3.896 1.00 0.00 O ATOM 0 H SER A 91 -22.711 5.638 1.273 1.00 0.00 H new ATOM 0 HA SER A 91 -24.223 5.762 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.324 8.132 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.351 8.225 3.525 1.00 0.00 H new ATOM 0 HG SER A 91 -21.731 8.328 3.496 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.296 5.633 2.531 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.552 5.558 1.798 1.00 0.00 C ATOM 1428 C CYS A 92 -28.278 6.894 1.919 1.00 0.00 C ATOM 1429 O CYS A 92 -28.592 7.341 3.023 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.422 4.407 2.306 1.00 0.00 C ATOM 1431 SG CYS A 92 -29.606 3.794 1.074 1.00 0.00 S ATOM 0 H CYS A 92 -26.322 5.242 3.473 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.343 5.357 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.777 3.586 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -28.968 4.738 3.190 1.00 0.00 H new ATOM 1436 N SER A 93 -28.529 7.528 0.776 1.00 0.00 N ATOM 1437 CA SER A 93 -29.187 8.835 0.742 1.00 0.00 C ATOM 1438 C SER A 93 -30.443 8.883 1.603 1.00 0.00 C ATOM 1439 O SER A 93 -30.931 7.860 2.079 1.00 0.00 O ATOM 1440 CB SER A 93 -29.550 9.214 -0.693 1.00 0.00 C ATOM 1441 OG SER A 93 -28.395 9.548 -1.443 1.00 0.00 O ATOM 0 H SER A 93 -28.286 7.157 -0.143 1.00 0.00 H new ATOM 0 HA SER A 93 -28.473 9.550 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.069 8.383 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.239 10.059 -0.686 1.00 0.00 H new ATOM 0 HG SER A 93 -28.656 9.785 -2.357 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.959 10.095 1.782 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.160 10.324 2.573 1.00 0.00 C ATOM 1449 C GLU A 94 -33.268 9.351 2.181 1.00 0.00 C ATOM 1450 O GLU A 94 -33.343 8.897 1.039 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.628 11.769 2.387 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.053 12.017 2.844 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.483 13.459 2.663 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.007 13.791 1.579 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.293 14.258 3.604 1.00 0.00 O ATOM 0 H GLU A 94 -30.556 10.943 1.383 1.00 0.00 H new ATOM 0 HA GLU A 94 -31.924 10.154 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.960 12.431 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.543 12.035 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.727 11.368 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.146 11.744 3.895 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.129 9.043 3.148 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.232 8.132 2.906 1.00 0.00 C ATOM 1464 C GLY A 95 -34.804 6.679 2.865 1.00 0.00 C ATOM 1465 O GLY A 95 -35.532 5.807 3.335 1.00 0.00 O ATOM 0 H GLY A 95 -34.081 9.411 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.981 8.262 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.709 8.391 1.961 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.625 6.407 2.315 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.146 5.032 2.212 1.00 0.00 C ATOM 1471 C PHE A 96 -31.987 4.812 3.178 1.00 0.00 C ATOM 1472 O PHE A 96 -31.105 5.659 3.304 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.698 4.707 0.785 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.031 5.767 -0.223 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.341 5.979 -0.623 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.029 6.546 -0.775 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.645 6.952 -1.555 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.327 7.522 -1.709 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.637 7.725 -2.099 1.00 0.00 C ATOM 0 H PHE A 96 -32.990 7.110 1.938 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.970 4.367 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.620 4.546 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.161 3.770 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.132 5.377 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.004 6.390 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.670 7.109 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.537 8.124 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.873 8.486 -2.828 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.994 3.672 3.860 1.00 0.00 N ATOM 1490 CA PHE A 97 -30.942 3.365 4.819 1.00 0.00 C ATOM 1491 C PHE A 97 -29.984 2.313 4.277 1.00 0.00 C ATOM 1492 O PHE A 97 -30.236 1.673 3.256 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.553 2.920 6.154 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.138 1.535 6.154 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.225 1.223 5.354 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.610 0.550 6.976 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -33.773 -0.046 5.370 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.157 -0.718 6.999 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.240 -1.017 6.195 1.00 0.00 C ATOM 0 H PHE A 97 -32.710 2.952 3.767 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.363 4.273 4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -30.784 2.973 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.333 3.628 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.649 1.980 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -30.762 0.777 7.605 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.617 -0.278 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -31.738 -1.475 7.645 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.669 -2.008 6.212 1.00 0.00 H new ATOM 1509 N LEU A 98 -28.879 2.159 4.994 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.837 1.211 4.626 1.00 0.00 C ATOM 1511 C LEU A 98 -28.176 -0.186 5.128 1.00 0.00 C ATOM 1512 O LEU A 98 -28.640 -0.356 6.255 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.497 1.668 5.216 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.239 1.059 4.584 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.168 -0.438 4.848 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.197 1.342 3.093 1.00 0.00 C ATOM 0 H LEU A 98 -28.680 2.686 5.844 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.764 1.175 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.435 2.753 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.493 1.435 6.281 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.369 1.526 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.267 -0.846 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.141 -0.617 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.045 -0.925 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.297 0.901 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.076 0.909 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.188 2.419 2.927 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.937 -1.187 4.284 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.186 -2.585 4.620 1.00 0.00 C ATOM 1530 C ILE A 99 -27.309 -3.482 3.766 1.00 0.00 C ATOM 1531 O ILE A 99 -27.383 -3.480 2.539 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.647 -2.990 4.345 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.538 -1.757 4.233 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.150 -3.923 5.432 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.771 -1.973 3.383 1.00 0.00 C ATOM 0 H ILE A 99 -27.564 -1.050 3.345 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.968 -2.699 5.682 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.685 -3.520 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.846 -1.450 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.957 -0.936 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.183 -4.200 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.531 -4.820 5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.097 -3.419 6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.355 -1.054 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.472 -2.250 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.375 -2.771 3.814 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.480 -4.251 4.457 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.550 -5.148 3.806 1.00 0.00 C ATOM 1549 C GLY A 100 -24.246 -5.230 4.568 1.00 0.00 C ATOM 1550 O GLY A 100 -23.908 -6.262 5.145 1.00 0.00 O ATOM 0 H GLY A 100 -26.436 -4.268 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.992 -6.141 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.359 -4.804 2.790 1.00 0.00 H new ATOM 1554 N SER A 101 -23.535 -4.112 4.567 1.00 0.00 N ATOM 1555 CA SER A 101 -22.254 -3.971 5.245 1.00 0.00 C ATOM 1556 C SER A 101 -21.734 -2.565 5.000 1.00 0.00 C ATOM 1557 O SER A 101 -21.202 -2.277 3.927 1.00 0.00 O ATOM 1558 CB SER A 101 -21.238 -5.000 4.736 1.00 0.00 C ATOM 1559 OG SER A 101 -21.455 -6.272 5.318 1.00 0.00 O ATOM 0 H SER A 101 -23.836 -3.264 4.088 1.00 0.00 H new ATOM 0 HA SER A 101 -22.393 -4.146 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.309 -5.078 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.228 -4.661 4.966 1.00 0.00 H new ATOM 0 HG SER A 101 -22.307 -6.636 5.000 1.00 0.00 H new ATOM 1565 N THR A 102 -21.890 -1.681 5.982 1.00 0.00 N ATOM 1566 CA THR A 102 -21.460 -0.301 5.823 1.00 0.00 C ATOM 1567 C THR A 102 -19.968 -0.227 5.578 1.00 0.00 C ATOM 1568 O THR A 102 -19.440 0.821 5.203 1.00 0.00 O ATOM 1569 CB THR A 102 -21.810 0.556 7.056 1.00 0.00 C ATOM 1570 OG1 THR A 102 -20.971 0.190 8.158 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.267 0.380 7.449 1.00 0.00 C ATOM 0 H THR A 102 -22.308 -1.896 6.887 1.00 0.00 H new ATOM 0 HA THR A 102 -21.994 0.097 4.960 1.00 0.00 H new ATOM 0 HB THR A 102 -21.645 1.602 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.197 0.739 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.486 0.996 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.907 0.684 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.456 -0.667 7.688 1.00 0.00 H new ATOM 1579 N THR A 103 -19.291 -1.340 5.790 1.00 0.00 N ATOM 1580 CA THR A 103 -17.864 -1.405 5.575 1.00 0.00 C ATOM 1581 C THR A 103 -17.536 -2.433 4.506 1.00 0.00 C ATOM 1582 O THR A 103 -18.314 -3.353 4.252 1.00 0.00 O ATOM 1583 CB THR A 103 -17.117 -1.736 6.868 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.576 -2.982 7.404 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.308 -0.628 7.891 1.00 0.00 C ATOM 0 H THR A 103 -19.711 -2.212 6.112 1.00 0.00 H new ATOM 0 HA THR A 103 -17.535 -0.422 5.238 1.00 0.00 H new ATOM 0 HB THR A 103 -16.055 -1.821 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.088 -3.182 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.770 -0.880 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.922 0.309 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.369 -0.517 8.114 1.00 0.00 H new ATOM 1593 N SER A 104 -16.377 -2.272 3.883 1.00 0.00 N ATOM 1594 CA SER A 104 -15.904 -3.199 2.868 1.00 0.00 C ATOM 1595 C SER A 104 -14.384 -3.262 2.942 1.00 0.00 C ATOM 1596 O SER A 104 -13.708 -2.279 2.655 1.00 0.00 O ATOM 1597 CB SER A 104 -16.360 -2.761 1.474 1.00 0.00 C ATOM 1598 OG SER A 104 -17.757 -2.933 1.320 1.00 0.00 O ATOM 0 H SER A 104 -15.740 -1.497 4.067 1.00 0.00 H new ATOM 0 HA SER A 104 -16.324 -4.188 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.099 -1.715 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.833 -3.341 0.716 1.00 0.00 H new ATOM 0 HG SER A 104 -18.138 -2.141 0.886 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.845 -4.424 3.298 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.402 -4.594 3.448 1.00 0.00 C ATOM 1606 C ARG A 105 -11.771 -5.134 2.175 1.00 0.00 C ATOM 1607 O ARG A 105 -12.388 -5.903 1.439 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.102 -5.540 4.611 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.698 -5.088 5.934 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.296 -6.013 7.072 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.827 -5.567 8.356 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.531 -6.143 9.517 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.714 -7.188 9.555 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.053 -5.675 10.643 1.00 0.00 N ATOM 0 H ARG A 105 -14.388 -5.266 3.489 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.972 -3.614 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.485 -6.532 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.022 -5.634 4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.368 -4.073 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.785 -5.059 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.654 -7.021 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.209 -6.066 7.129 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.461 -4.768 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.311 -7.552 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.489 -7.627 10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.682 -4.873 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.825 -6.118 11.533 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.529 -4.738 1.935 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.807 -5.179 0.755 1.00 0.00 C ATOM 1630 C CYS A 106 -8.942 -6.376 1.110 1.00 0.00 C ATOM 1631 O CYS A 106 -7.996 -6.260 1.888 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.944 -4.043 0.206 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.382 -4.296 -1.505 1.00 0.00 S ATOM 0 H CYS A 106 -10.002 -4.112 2.544 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.521 -5.469 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.511 -3.113 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.072 -3.920 0.849 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.279 -7.529 0.551 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.565 -8.757 0.850 1.00 0.00 C ATOM 1640 C GLU A 107 -7.854 -9.292 -0.385 1.00 0.00 C ATOM 1641 O GLU A 107 -8.054 -8.796 -1.488 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.553 -9.787 1.395 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.896 -10.987 2.056 1.00 0.00 C ATOM 1644 CD GLU A 107 -9.906 -11.945 2.657 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.513 -11.596 3.692 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.089 -13.045 2.094 1.00 0.00 O ATOM 0 H GLU A 107 -10.045 -7.638 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.802 -8.553 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.207 -9.300 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.185 -10.136 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.291 -11.517 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.218 -10.642 2.837 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.017 -10.301 -0.184 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.277 -10.895 -1.287 1.00 0.00 C ATOM 1655 C VAL A 108 -6.235 -12.418 -1.209 1.00 0.00 C ATOM 1656 O VAL A 108 -5.880 -13.002 -0.183 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.838 -10.340 -1.365 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.931 -11.271 -2.157 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.832 -8.953 -1.988 1.00 0.00 C ATOM 0 H VAL A 108 -6.835 -10.722 0.727 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.816 -10.619 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.454 -10.272 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.925 -10.854 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.901 -12.248 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.317 -11.379 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.809 -8.579 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.245 -9.005 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.437 -8.279 -1.382 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.606 -13.039 -2.320 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.607 -14.494 -2.422 1.00 0.00 C ATOM 1671 C GLN A 109 -6.216 -14.931 -3.822 1.00 0.00 C ATOM 1672 O GLN A 109 -6.494 -16.053 -4.245 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.982 -15.048 -2.044 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.142 -14.238 -2.602 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.477 -14.637 -2.000 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.685 -15.797 -1.642 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.386 -13.675 -1.879 1.00 0.00 N ATOM 0 H GLN A 109 -6.911 -12.558 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.870 -14.894 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.061 -16.074 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.064 -15.083 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.965 -13.179 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.183 -14.367 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.170 -12.728 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.299 -13.884 -1.476 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.545 -14.028 -4.516 1.00 0.00 N ATOM 1687 CA ASP A 110 -5.083 -14.262 -5.875 1.00 0.00 C ATOM 1688 C ASP A 110 -4.005 -13.248 -6.234 1.00 0.00 C ATOM 1689 O ASP A 110 -3.610 -12.431 -5.402 1.00 0.00 O ATOM 1690 CB ASP A 110 -6.239 -14.162 -6.874 1.00 0.00 C ATOM 1691 CG ASP A 110 -7.229 -15.303 -6.747 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.910 -16.420 -7.208 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -8.321 -15.082 -6.183 1.00 0.00 O ATOM 0 H ASP A 110 -5.304 -13.107 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.671 -15.270 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.761 -13.217 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -5.837 -14.148 -7.887 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.533 -13.301 -7.471 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.511 -12.377 -7.928 1.00 0.00 C ATOM 1700 C ARG A 111 -3.142 -11.085 -8.430 1.00 0.00 C ATOM 1701 O ARG A 111 -2.527 -10.338 -9.192 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.668 -13.016 -9.032 1.00 0.00 C ATOM 1703 CG ARG A 111 -2.452 -13.318 -10.298 1.00 0.00 C ATOM 1704 CD ARG A 111 -1.558 -13.885 -11.388 1.00 0.00 C ATOM 1705 NE ARG A 111 -2.284 -14.086 -12.639 1.00 0.00 N ATOM 1706 CZ ARG A 111 -1.705 -14.464 -13.775 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -0.398 -14.686 -13.817 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -2.435 -14.622 -14.870 1.00 0.00 N ATOM 0 H ARG A 111 -3.842 -13.973 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.862 -12.141 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.840 -12.350 -9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.232 -13.941 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.248 -14.028 -10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.930 -12.407 -10.657 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.721 -13.208 -11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.138 -14.834 -11.056 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.292 -13.928 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.167 -14.567 -12.976 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.042 -14.976 -14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.441 -14.454 -14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.991 -14.912 -15.741 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.373 -10.824 -7.997 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.060 -9.621 -8.420 1.00 0.00 C ATOM 1724 C GLY A 112 -5.987 -9.059 -7.367 1.00 0.00 C ATOM 1725 O GLY A 112 -6.865 -8.253 -7.676 1.00 0.00 O ATOM 0 H GLY A 112 -4.903 -11.423 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.322 -8.864 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.634 -9.837 -9.321 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.795 -9.482 -6.121 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.609 -8.991 -5.013 1.00 0.00 C ATOM 1731 C VAL A 113 -8.068 -9.391 -5.153 1.00 0.00 C ATOM 1732 O VAL A 113 -8.595 -9.536 -6.256 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.524 -7.461 -4.899 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.928 -6.977 -3.517 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.123 -7.002 -5.237 1.00 0.00 C ATOM 0 H VAL A 113 -5.084 -10.163 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.206 -9.451 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.227 -7.027 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.855 -5.890 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.955 -7.279 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.265 -7.414 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.066 -5.917 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.414 -7.456 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.877 -7.302 -6.256 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.700 -9.568 -4.008 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.093 -9.951 -4.016 1.00 0.00 C ATOM 1747 C GLY A 114 -10.953 -8.972 -3.243 1.00 0.00 C ATOM 1748 O GLY A 114 -10.517 -8.443 -2.221 1.00 0.00 O ATOM 0 H GLY A 114 -8.282 -9.456 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.447 -10.011 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.198 -10.946 -3.584 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.168 -8.721 -3.708 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.061 -7.806 -3.008 1.00 0.00 C ATOM 1754 C TRP A 115 -14.010 -8.573 -2.097 1.00 0.00 C ATOM 1755 O TRP A 115 -14.739 -9.458 -2.544 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.861 -6.932 -3.978 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.564 -5.472 -3.814 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.214 -4.587 -4.792 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.579 -4.731 -2.588 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.010 -3.339 -4.246 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.226 -3.406 -2.899 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.855 -5.059 -1.258 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.141 -2.414 -1.932 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.771 -4.069 -0.298 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.416 -2.760 -0.640 1.00 0.00 C ATOM 0 H TRP A 115 -12.556 -9.132 -4.557 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.436 -7.149 -2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.637 -7.232 -5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.926 -7.103 -3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.112 -4.829 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.742 -2.502 -4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.129 -6.068 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.867 -1.402 -2.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.983 -4.310 0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.358 -2.008 0.133 1.00 0.00 H new ATOM 1776 N SER A 116 -13.992 -8.225 -0.814 1.00 0.00 N ATOM 1777 CA SER A 116 -14.845 -8.880 0.169 1.00 0.00 C ATOM 1778 C SER A 116 -16.321 -8.587 -0.095 1.00 0.00 C ATOM 1779 O SER A 116 -17.167 -9.475 0.009 1.00 0.00 O ATOM 1780 CB SER A 116 -14.470 -8.425 1.580 1.00 0.00 C ATOM 1781 OG SER A 116 -15.283 -9.057 2.554 1.00 0.00 O ATOM 0 H SER A 116 -13.395 -7.492 -0.431 1.00 0.00 H new ATOM 0 HA SER A 116 -14.690 -9.955 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.422 -8.654 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.579 -7.343 1.657 1.00 0.00 H new ATOM 0 HG SER A 116 -15.022 -8.750 3.447 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.624 -7.335 -0.439 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.001 -6.926 -0.708 1.00 0.00 C ATOM 1789 C HIS A 117 -18.051 -5.518 -1.301 1.00 0.00 C ATOM 1790 O HIS A 117 -17.345 -4.621 -0.841 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.825 -6.973 0.580 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.278 -6.676 0.379 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.288 -7.454 -0.080 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -20.842 -5.451 0.664 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -22.429 -6.692 -0.064 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -22.134 -5.488 0.390 1.00 0.00 N flip ATOM 0 H HIS A 117 -15.936 -6.589 -0.538 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.423 -7.621 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.724 -7.961 1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.412 -6.257 1.291 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -21.214 -8.426 -0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.310 -4.594 1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.409 -7.023 -0.373 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.890 -5.308 -2.332 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.036 -4.018 -2.988 1.00 0.00 C ATOM 1807 C PRO A 118 -20.211 -3.201 -2.446 1.00 0.00 C ATOM 1808 O PRO A 118 -20.617 -3.362 -1.295 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.295 -4.433 -4.434 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.029 -5.737 -4.339 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.750 -6.316 -2.967 1.00 0.00 C ATOM 0 HA PRO A 118 -18.170 -3.372 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.888 -3.684 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.362 -4.545 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.099 -5.586 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.697 -6.422 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.670 -6.470 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.251 -7.283 -3.034 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.742 -2.321 -3.294 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.866 -1.460 -2.946 1.00 0.00 C ATOM 1821 C LEU A 119 -22.980 -2.243 -2.242 1.00 0.00 C ATOM 1822 O LEU A 119 -23.515 -3.206 -2.791 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.399 -0.804 -4.219 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.324 -0.265 -5.177 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.128 0.277 -4.404 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.892 -1.343 -6.161 1.00 0.00 C ATOM 0 H LEU A 119 -20.401 -2.187 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.520 -0.696 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.009 -1.531 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.057 0.018 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.757 0.559 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.382 0.652 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.453 1.087 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.692 -0.520 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.131 -0.941 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.482 -2.192 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.753 -1.669 -6.745 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.337 -1.830 -1.009 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.388 -2.488 -0.218 1.00 0.00 C ATOM 1840 C PRO A 120 -25.774 -2.329 -0.839 1.00 0.00 C ATOM 1841 O PRO A 120 -25.900 -1.993 -2.017 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.322 -1.778 1.136 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.688 -0.461 0.849 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.741 -0.690 -0.291 1.00 0.00 C ATOM 0 HA PRO A 120 -24.229 -3.564 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.316 -1.653 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.735 -2.351 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.440 0.284 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.159 -0.085 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -22.662 0.190 -0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.736 -0.919 0.062 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.816 -2.571 -0.042 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.188 -2.472 -0.507 1.00 0.00 C ATOM 1854 C GLN A 121 -28.869 -1.208 0.014 1.00 0.00 C ATOM 1855 O GLN A 121 -28.982 -1.004 1.223 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.965 -3.696 -0.036 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.510 -4.998 -0.676 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.204 -6.210 -0.085 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.602 -6.204 1.080 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -29.347 -7.260 -0.885 1.00 0.00 N ATOM 0 H GLN A 121 -26.727 -2.839 0.938 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.176 -2.423 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.868 -3.781 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.023 -3.547 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -28.704 -4.959 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.432 -5.103 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.002 -7.221 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -29.802 -8.105 -0.540 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.319 -0.364 -0.908 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.003 0.868 -0.542 1.00 0.00 C ATOM 1871 C CYS A 122 -31.510 0.731 -0.736 1.00 0.00 C ATOM 1872 O CYS A 122 -31.994 0.638 -1.864 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.479 2.029 -1.384 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.428 3.192 -0.465 1.00 0.00 S ATOM 0 H CYS A 122 -29.222 -0.511 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.805 1.067 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.912 1.628 -2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.326 2.573 -1.802 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.247 0.718 0.371 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.700 0.598 0.323 1.00 0.00 C ATOM 1881 C GLU A 123 -34.341 1.687 1.176 1.00 0.00 C ATOM 1882 O GLU A 123 -33.846 2.021 2.253 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.138 -0.782 0.820 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.646 -0.974 0.829 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.054 -2.370 1.260 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.121 -3.264 0.391 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.307 -2.567 2.467 1.00 0.00 O ATOM 0 H GLU A 123 -31.861 0.789 1.313 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.026 0.716 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.686 -1.547 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.754 -0.934 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.097 -0.244 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.040 -0.776 -0.168 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.447 2.235 0.684 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.146 3.301 1.391 1.00 0.00 C ATOM 1896 C ILE A 124 -36.937 2.742 2.571 1.00 0.00 C ATOM 1897 O ILE A 124 -37.334 1.577 2.568 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.097 4.070 0.449 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.630 5.330 1.138 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.244 3.172 0.004 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.398 6.251 0.213 1.00 0.00 C ATOM 0 H ILE A 124 -35.877 1.959 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.390 3.993 1.763 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.538 4.375 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.278 5.035 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -36.793 5.879 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.906 3.729 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.844 2.306 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.804 2.837 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.744 7.121 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -37.748 6.576 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.256 5.720 -0.200 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.161 3.580 3.578 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.899 3.169 4.767 1.00 0.00 C ATOM 1915 C LEU A 125 -39.394 3.090 4.475 1.00 0.00 C ATOM 1916 O LEU A 125 -39.997 2.020 4.558 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.642 4.151 5.913 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.169 4.489 6.168 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.052 5.632 7.162 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.414 3.266 6.670 1.00 0.00 C ATOM 0 H LEU A 125 -36.842 4.549 3.594 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.551 2.179 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.179 5.076 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.066 3.736 6.827 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.721 4.802 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.000 5.860 7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.554 6.514 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.518 5.344 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.371 3.529 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -35.861 2.919 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.469 2.473 5.924 1.00 0.00 H new