USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 735 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 TYR OH : rot 99:sc= 0.278 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.348 X(o=-0.2,f=-0.2) USER MOD Set 2.2: A 120 ASN : amide:sc= 0.152 K(o=-0.2,f=-5.4!) USER MOD Set 3.1: A 38 LYS NZ :NH3+ 146:sc= 0.18 (180deg=-0.953) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= -0.195 USER MOD Single : A 25 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.323 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.479 F(o=-1.9,f=-0.48) USER MOD Single : A 39 ASN : amide:sc= 0.779 K(o=0.78,f=-7.1!) USER MOD Single : A 42 TYR OH : rot 130:sc= -0.535 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -164:sc= 0.742 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -147:sc= -0.165 (180deg=-2.11!) USER MOD Single : A 65 GLN : amide:sc= -0.82 K(o=-0.82,f=-4.5!) USER MOD Single : A 66 MET CE :methyl -133:sc= -4.69 (180deg=-10.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -31:sc= 0.196 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.89) USER MOD Single : A 92 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.076) USER MOD Single : A 94 ASN : amide:sc= -0.683 K(o=-0.68,f=-2.7) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -2.42 K(o=-2.4,f=-5.1!) USER MOD Single : A 101 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc=-0.00289 X(o=-0.0029,f=-0.087) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -139:sc= -2.69! USER MOD Single : A 122 SER OG : rot 140:sc=-0.00923 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 6:sc= 0.613 USER MOD Single : A 146 THR OG1 : rot 124:sc= 0.774 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 6.653 -10.262 3.606 1.00 0.00 N ATOM 17 CA ILE A 22 5.710 -9.519 2.780 1.00 0.00 C ATOM 18 C ILE A 22 6.314 -8.199 2.308 1.00 0.00 C ATOM 19 O ILE A 22 7.073 -7.558 3.035 1.00 0.00 O ATOM 20 CB ILE A 22 4.402 -9.229 3.540 1.00 0.00 C ATOM 21 CG1 ILE A 22 3.755 -10.537 4.001 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.444 -8.438 2.663 1.00 0.00 C ATOM 23 CD1 ILE A 22 3.290 -11.415 2.860 1.00 0.00 C ATOM 0 HA ILE A 22 5.487 -10.144 1.915 1.00 0.00 H new ATOM 0 HB ILE A 22 4.635 -8.630 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.470 -11.092 4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.904 -10.306 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.525 -8.241 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.907 -7.493 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.213 -9.013 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.842 -12.325 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.551 -10.878 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.141 -11.676 2.232 1.00 0.00 H new ATOM 34 N ASP A 23 5.970 -7.800 1.090 1.00 0.00 N ATOM 35 CA ASP A 23 6.474 -6.555 0.521 1.00 0.00 C ATOM 36 C ASP A 23 5.327 -5.674 0.037 1.00 0.00 C ATOM 37 O ASP A 23 4.412 -6.145 -0.639 1.00 0.00 O ATOM 38 CB ASP A 23 7.431 -6.848 -0.634 1.00 0.00 C ATOM 39 CG ASP A 23 8.391 -5.705 -0.896 1.00 0.00 C ATOM 40 OD1 ASP A 23 8.575 -4.865 0.009 1.00 0.00 O ATOM 41 OD2 ASP A 23 8.960 -5.650 -2.007 1.00 0.00 O ATOM 0 H ASP A 23 5.343 -8.321 0.476 1.00 0.00 H new ATOM 0 HA ASP A 23 7.013 -6.020 1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.999 -7.751 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.855 -7.049 -1.537 1.00 0.00 H new ATOM 45 N LEU A 24 5.382 -4.394 0.389 1.00 0.00 N ATOM 46 CA LEU A 24 4.348 -3.446 -0.008 1.00 0.00 C ATOM 47 C LEU A 24 4.921 -2.361 -0.914 1.00 0.00 C ATOM 48 O LEU A 24 5.515 -1.393 -0.440 1.00 0.00 O ATOM 49 CB LEU A 24 3.710 -2.810 1.228 1.00 0.00 C ATOM 50 CG LEU A 24 2.472 -3.517 1.783 1.00 0.00 C ATOM 51 CD1 LEU A 24 2.814 -4.934 2.212 1.00 0.00 C ATOM 52 CD2 LEU A 24 1.887 -2.731 2.950 1.00 0.00 C ATOM 0 H LEU A 24 6.132 -3.989 0.949 1.00 0.00 H new ATOM 0 HA LEU A 24 3.585 -3.991 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.461 -2.763 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.439 -1.783 0.984 1.00 0.00 H new ATOM 0 HG LEU A 24 1.723 -3.569 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.921 -5.421 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.186 -5.494 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.581 -4.905 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.007 -3.248 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.631 -2.647 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.603 -1.734 2.612 1.00 0.00 H new ATOM 63 N ASN A 25 4.738 -2.530 -2.219 1.00 0.00 N ATOM 64 CA ASN A 25 5.237 -1.564 -3.192 1.00 0.00 C ATOM 65 C ASN A 25 4.168 -0.527 -3.526 1.00 0.00 C ATOM 66 O ASN A 25 2.970 -0.797 -3.415 1.00 0.00 O ATOM 67 CB ASN A 25 5.686 -2.279 -4.468 1.00 0.00 C ATOM 68 CG ASN A 25 4.527 -2.902 -5.220 1.00 0.00 C ATOM 69 OD1 ASN A 25 4.210 -4.078 -5.032 1.00 0.00 O ATOM 70 ND2 ASN A 25 3.887 -2.115 -6.078 1.00 0.00 N ATOM 0 H ASN A 25 4.248 -3.326 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 25 6.092 -1.050 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.198 -1.569 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.408 -3.054 -4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.098 -2.479 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.184 -1.147 -6.202 1.00 0.00 H new ATOM 76 N ILE A 26 4.608 0.656 -3.937 1.00 0.00 N ATOM 77 CA ILE A 26 3.690 1.733 -4.290 1.00 0.00 C ATOM 78 C ILE A 26 4.196 2.516 -5.494 1.00 0.00 C ATOM 79 O ILE A 26 5.401 2.715 -5.658 1.00 0.00 O ATOM 80 CB ILE A 26 3.480 2.703 -3.111 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.826 3.083 -2.491 1.00 0.00 C ATOM 82 CG2 ILE A 26 2.567 2.078 -2.066 1.00 0.00 C ATOM 83 CD1 ILE A 26 5.275 2.141 -1.396 1.00 0.00 C ATOM 0 H ILE A 26 5.595 0.894 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 26 2.738 1.265 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 26 3.004 3.609 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.584 3.105 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.758 4.092 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.429 2.775 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.600 1.852 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.017 1.158 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.236 2.472 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.537 2.137 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.376 1.134 -1.801 1.00 0.00 H new ATOM 94 N THR A 27 3.270 2.960 -6.338 1.00 0.00 N ATOM 95 CA THR A 27 3.622 3.723 -7.528 1.00 0.00 C ATOM 96 C THR A 27 3.503 5.222 -7.277 1.00 0.00 C ATOM 97 O THR A 27 3.320 5.658 -6.140 1.00 0.00 O ATOM 98 CB THR A 27 2.730 3.342 -8.725 1.00 0.00 C ATOM 99 OG1 THR A 27 3.306 3.830 -9.941 1.00 0.00 O ATOM 100 CG2 THR A 27 1.329 3.910 -8.558 1.00 0.00 C ATOM 0 H THR A 27 2.269 2.804 -6.219 1.00 0.00 H new ATOM 0 HA THR A 27 4.658 3.478 -7.764 1.00 0.00 H new ATOM 0 HB THR A 27 2.662 2.255 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.734 3.582 -10.697 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.718 3.628 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.882 3.513 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.382 4.997 -8.492 1.00 0.00 H new ATOM 108 N CYS A 28 3.603 6.006 -8.345 1.00 0.00 N ATOM 109 CA CYS A 28 3.505 7.457 -8.241 1.00 0.00 C ATOM 110 C CYS A 28 2.270 7.864 -7.441 1.00 0.00 C ATOM 111 O CYS A 28 1.267 7.149 -7.423 1.00 0.00 O ATOM 112 CB CYS A 28 3.453 8.087 -9.634 1.00 0.00 C ATOM 113 SG CYS A 28 4.846 7.621 -10.713 1.00 0.00 S ATOM 0 H CYS A 28 3.752 5.661 -9.293 1.00 0.00 H new ATOM 0 HA CYS A 28 4.390 7.819 -7.718 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.520 7.797 -10.118 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.435 9.172 -9.530 1.00 0.00 H new ATOM 117 N ARG A 29 2.351 9.014 -6.781 1.00 0.00 N ATOM 118 CA ARG A 29 1.242 9.516 -5.979 1.00 0.00 C ATOM 119 C ARG A 29 0.609 10.741 -6.632 1.00 0.00 C ATOM 120 O ARG A 29 1.301 11.698 -6.979 1.00 0.00 O ATOM 121 CB ARG A 29 1.721 9.865 -4.569 1.00 0.00 C ATOM 122 CG ARG A 29 2.973 10.728 -4.548 1.00 0.00 C ATOM 123 CD ARG A 29 3.234 11.294 -3.162 1.00 0.00 C ATOM 124 NE ARG A 29 3.266 10.251 -2.141 1.00 0.00 N ATOM 125 CZ ARG A 29 4.288 9.422 -1.967 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.359 9.515 -2.744 1.00 0.00 N ATOM 127 NH2 ARG A 29 4.244 8.498 -1.016 1.00 0.00 N ATOM 0 H ARG A 29 3.174 9.616 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 29 0.489 8.731 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.922 10.386 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.916 8.943 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.830 10.136 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.866 11.545 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.183 11.830 -3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.459 12.019 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 29 2.458 10.154 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.398 10.224 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.144 8.877 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.423 8.423 -0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.031 7.863 -0.885 1.00 0.00 H new ATOM 138 N PHE A 30 -0.709 10.702 -6.794 1.00 0.00 N ATOM 139 CA PHE A 30 -1.436 11.809 -7.407 1.00 0.00 C ATOM 140 C PHE A 30 -2.096 12.681 -6.342 1.00 0.00 C ATOM 141 O PHE A 30 -2.996 12.235 -5.631 1.00 0.00 O ATOM 142 CB PHE A 30 -2.493 11.279 -8.377 1.00 0.00 C ATOM 143 CG PHE A 30 -1.929 10.402 -9.458 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.623 9.075 -9.204 1.00 0.00 C ATOM 145 CD2 PHE A 30 -1.702 10.907 -10.730 1.00 0.00 C ATOM 146 CE1 PHE A 30 -1.104 8.266 -10.198 1.00 0.00 C ATOM 147 CE2 PHE A 30 -1.183 10.103 -11.727 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.882 8.782 -11.460 1.00 0.00 C ATOM 0 H PHE A 30 -1.296 9.917 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.721 12.419 -7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.239 10.716 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.008 12.122 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.792 8.668 -8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.933 11.940 -10.943 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.873 7.232 -9.988 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.013 10.507 -12.714 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.473 8.153 -12.237 1.00 0.00 H new ATOM 157 N ALA A 31 -1.643 13.926 -6.240 1.00 0.00 N ATOM 158 CA ALA A 31 -2.190 14.860 -5.264 1.00 0.00 C ATOM 159 C ALA A 31 -2.007 14.339 -3.843 1.00 0.00 C ATOM 160 O ALA A 31 -2.699 14.768 -2.920 1.00 0.00 O ATOM 161 CB ALA A 31 -3.662 15.117 -5.549 1.00 0.00 C ATOM 0 H ALA A 31 -0.899 14.311 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.645 15.800 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.058 15.816 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.771 15.541 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.213 14.178 -5.491 1.00 0.00 H new ATOM 167 N GLY A 32 -1.072 13.410 -3.673 1.00 0.00 N ATOM 168 CA GLY A 32 -0.816 12.845 -2.360 1.00 0.00 C ATOM 169 C GLY A 32 -1.471 11.492 -2.175 1.00 0.00 C ATOM 170 O GLY A 32 -1.083 10.721 -1.296 1.00 0.00 O ATOM 0 H GLY A 32 -0.487 13.038 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.260 12.748 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.182 13.530 -1.595 1.00 0.00 H new ATOM 174 N VAL A 33 -2.469 11.200 -3.002 1.00 0.00 N ATOM 175 CA VAL A 33 -3.181 9.930 -2.925 1.00 0.00 C ATOM 176 C VAL A 33 -2.552 8.891 -3.846 1.00 0.00 C ATOM 177 O VAL A 33 -2.336 9.146 -5.031 1.00 0.00 O ATOM 178 CB VAL A 33 -4.667 10.095 -3.294 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.428 8.804 -3.036 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.282 11.252 -2.520 1.00 0.00 C ATOM 0 H VAL A 33 -2.803 11.827 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.107 9.589 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.737 10.322 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.476 8.940 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.001 8.003 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.353 8.542 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.332 11.355 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.202 11.058 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.753 12.174 -2.762 1.00 0.00 H new ATOM 190 N PHE A 34 -2.261 7.717 -3.294 1.00 0.00 N ATOM 191 CA PHE A 34 -1.656 6.638 -4.066 1.00 0.00 C ATOM 192 C PHE A 34 -2.235 5.287 -3.657 1.00 0.00 C ATOM 193 O PHE A 34 -2.856 5.158 -2.602 1.00 0.00 O ATOM 194 CB PHE A 34 -0.138 6.635 -3.875 1.00 0.00 C ATOM 195 CG PHE A 34 0.286 6.650 -2.435 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.436 7.849 -1.755 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.533 5.466 -1.759 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.824 7.866 -0.429 1.00 0.00 C ATOM 199 CE2 PHE A 34 0.922 5.477 -0.433 1.00 0.00 C ATOM 200 CZ PHE A 34 1.068 6.678 0.232 1.00 0.00 C ATOM 0 H PHE A 34 -2.435 7.489 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.882 6.806 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.279 5.752 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.285 7.504 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.247 8.781 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.420 4.524 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.936 8.807 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.112 4.547 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.373 6.689 1.268 1.00 0.00 H new ATOM 209 N HIS A 35 -2.025 4.281 -4.500 1.00 0.00 N ATOM 210 CA HIS A 35 -2.525 2.938 -4.228 1.00 0.00 C ATOM 211 C HIS A 35 -1.406 2.035 -3.720 1.00 0.00 C ATOM 212 O HIS A 35 -0.285 2.072 -4.228 1.00 0.00 O ATOM 213 CB HIS A 35 -3.150 2.337 -5.488 1.00 0.00 C ATOM 214 CG HIS A 35 -2.150 1.719 -6.416 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.558 0.502 -6.395 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -1.646 2.369 -7.522 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 -0.717 0.439 -7.479 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -0.789 1.579 -8.143 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.512 4.370 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.289 3.012 -3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.879 1.581 -5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.695 3.116 -6.021 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.708 -0.232 -5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.911 3.369 -7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.098 -0.405 -7.745 1.00 0.00 H new ATOM 225 N VAL A 36 -1.718 1.222 -2.716 1.00 0.00 N ATOM 226 CA VAL A 36 -0.738 0.308 -2.140 1.00 0.00 C ATOM 227 C VAL A 36 -0.892 -1.097 -2.714 1.00 0.00 C ATOM 228 O VAL A 36 -1.949 -1.714 -2.592 1.00 0.00 O ATOM 229 CB VAL A 36 -0.868 0.240 -0.606 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.280 -0.558 -0.007 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.920 1.641 -0.013 1.00 0.00 C ATOM 0 H VAL A 36 -2.641 1.177 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 36 0.247 0.697 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.800 -0.269 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.171 -0.595 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.267 -1.572 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.226 -0.080 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.012 1.574 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.006 2.178 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.779 2.176 -0.418 1.00 0.00 H new ATOM 241 N GLU A 37 0.170 -1.593 -3.338 1.00 0.00 N ATOM 242 CA GLU A 37 0.152 -2.926 -3.932 1.00 0.00 C ATOM 243 C GLU A 37 1.209 -3.821 -3.292 1.00 0.00 C ATOM 244 O GLU A 37 2.394 -3.484 -3.272 1.00 0.00 O ATOM 245 CB GLU A 37 0.387 -2.838 -5.442 1.00 0.00 C ATOM 246 CG GLU A 37 -0.112 -4.051 -6.206 1.00 0.00 C ATOM 247 CD GLU A 37 -0.178 -3.813 -7.703 1.00 0.00 C ATOM 248 OE1 GLU A 37 0.084 -2.671 -8.133 1.00 0.00 O ATOM 249 OE2 GLU A 37 -0.494 -4.768 -8.442 1.00 0.00 O ATOM 0 H GLU A 37 1.053 -1.094 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.829 -3.365 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.109 -1.947 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.454 -2.715 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.545 -4.897 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.103 -4.323 -5.841 1.00 0.00 H new ATOM 254 N LYS A 38 0.772 -4.961 -2.770 1.00 0.00 N ATOM 255 CA LYS A 38 1.679 -5.906 -2.129 1.00 0.00 C ATOM 256 C LYS A 38 2.378 -6.780 -3.167 1.00 0.00 C ATOM 257 O LYS A 38 2.055 -6.728 -4.353 1.00 0.00 O ATOM 258 CB LYS A 38 0.914 -6.787 -1.139 1.00 0.00 C ATOM 259 CG LYS A 38 0.043 -7.837 -1.804 1.00 0.00 C ATOM 260 CD LYS A 38 -0.742 -8.642 -0.782 1.00 0.00 C ATOM 261 CE LYS A 38 -0.383 -10.118 -0.842 1.00 0.00 C ATOM 262 NZ LYS A 38 -1.094 -10.818 -1.949 1.00 0.00 N ATOM 0 H LYS A 38 -0.205 -5.254 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 38 2.436 -5.336 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.628 -7.283 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.288 -6.153 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.647 -7.353 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.667 -8.508 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.541 -8.258 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.810 -8.518 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.693 -10.225 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.634 -10.592 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.482 -11.563 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.970 -11.244 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.327 -10.135 -2.698 1.00 0.00 H new ATOM 272 N ASN A 39 3.333 -7.583 -2.710 1.00 0.00 N ATOM 273 CA ASN A 39 4.076 -8.468 -3.601 1.00 0.00 C ATOM 274 C ASN A 39 3.127 -9.304 -4.454 1.00 0.00 C ATOM 275 O ASN A 39 3.260 -9.361 -5.675 1.00 0.00 O ATOM 276 CB ASN A 39 4.994 -9.386 -2.791 1.00 0.00 C ATOM 277 CG ASN A 39 4.306 -9.958 -1.566 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.078 -9.252 -0.584 1.00 0.00 O ATOM 279 ND2 ASN A 39 3.973 -11.242 -1.621 1.00 0.00 N ATOM 0 H ASN A 39 3.611 -7.640 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 39 4.682 -7.850 -4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.338 -10.203 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.878 -8.829 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.508 -11.683 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.182 -11.788 -2.457 1.00 0.00 H new ATOM 285 N GLY A 40 2.167 -9.951 -3.799 1.00 0.00 N ATOM 286 CA GLY A 40 1.208 -10.774 -4.512 1.00 0.00 C ATOM 287 C GLY A 40 0.104 -9.957 -5.152 1.00 0.00 C ATOM 288 O GLY A 40 0.352 -8.875 -5.684 1.00 0.00 O ATOM 0 H GLY A 40 2.037 -9.920 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.726 -11.345 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.769 -11.495 -3.822 1.00 0.00 H new ATOM 292 N ARG A 41 -1.118 -10.477 -5.105 1.00 0.00 N ATOM 293 CA ARG A 41 -2.264 -9.788 -5.687 1.00 0.00 C ATOM 294 C ARG A 41 -3.011 -8.982 -4.627 1.00 0.00 C ATOM 295 O ARG A 41 -2.550 -8.854 -3.493 1.00 0.00 O ATOM 296 CB ARG A 41 -3.212 -10.795 -6.338 1.00 0.00 C ATOM 297 CG ARG A 41 -3.840 -11.767 -5.353 1.00 0.00 C ATOM 298 CD ARG A 41 -5.097 -12.407 -5.924 1.00 0.00 C ATOM 299 NE ARG A 41 -5.955 -12.957 -4.878 1.00 0.00 N ATOM 300 CZ ARG A 41 -7.123 -13.544 -5.118 1.00 0.00 C ATOM 301 NH1 ARG A 41 -7.567 -13.657 -6.362 1.00 0.00 N ATOM 302 NH2 ARG A 41 -7.847 -14.018 -4.113 1.00 0.00 N ATOM 0 H ARG A 41 -1.340 -11.373 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.895 -9.100 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.004 -10.253 -6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.665 -11.359 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.119 -12.544 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.085 -11.243 -4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.654 -11.665 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.817 -13.200 -6.617 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.641 -12.887 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.012 -13.293 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.464 -14.108 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.508 -13.932 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.743 -14.468 -4.298 1.00 0.00 H new ATOM 313 N TYR A 42 -4.162 -8.440 -5.007 1.00 0.00 N ATOM 314 CA TYR A 42 -4.970 -7.643 -4.091 1.00 0.00 C ATOM 315 C TYR A 42 -5.411 -8.475 -2.890 1.00 0.00 C ATOM 316 O TYR A 42 -6.223 -9.390 -3.019 1.00 0.00 O ATOM 317 CB TYR A 42 -6.196 -7.083 -4.815 1.00 0.00 C ATOM 318 CG TYR A 42 -5.875 -6.461 -6.155 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.742 -5.674 -6.325 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.705 -6.657 -7.251 1.00 0.00 C ATOM 321 CE1 TYR A 42 -4.446 -5.103 -7.547 1.00 0.00 C ATOM 322 CE2 TYR A 42 -6.416 -6.091 -8.478 1.00 0.00 C ATOM 323 CZ TYR A 42 -5.285 -5.315 -8.620 1.00 0.00 C ATOM 324 OH TYR A 42 -4.994 -4.748 -9.840 1.00 0.00 O ATOM 0 H TYR A 42 -4.557 -8.538 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.358 -6.815 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.920 -7.885 -4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.672 -6.335 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.082 -5.506 -5.487 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.592 -7.263 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.562 -4.494 -7.661 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.072 -6.255 -9.320 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.040 -5.434 -10.539 1.00 0.00 H new ATOM 333 N SER A 43 -4.869 -8.147 -1.721 1.00 0.00 N ATOM 334 CA SER A 43 -5.203 -8.865 -0.496 1.00 0.00 C ATOM 335 C SER A 43 -4.993 -7.978 0.728 1.00 0.00 C ATOM 336 O SER A 43 -4.667 -8.463 1.810 1.00 0.00 O ATOM 337 CB SER A 43 -4.353 -10.131 -0.374 1.00 0.00 C ATOM 338 OG SER A 43 -4.459 -10.930 -1.539 1.00 0.00 O ATOM 0 H SER A 43 -4.197 -7.389 -1.596 1.00 0.00 H new ATOM 0 HA SER A 43 -6.255 -9.146 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.310 -9.858 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.673 -10.705 0.495 1.00 0.00 H new ATOM 0 HG SER A 43 -3.906 -11.732 -1.437 1.00 0.00 H new ATOM 343 N ILE A 44 -5.184 -6.675 0.545 1.00 0.00 N ATOM 344 CA ILE A 44 -5.017 -5.720 1.633 1.00 0.00 C ATOM 345 C ILE A 44 -6.342 -5.455 2.340 1.00 0.00 C ATOM 346 O ILE A 44 -7.316 -5.033 1.718 1.00 0.00 O ATOM 347 CB ILE A 44 -4.443 -4.384 1.126 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.187 -4.628 0.288 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.133 -3.461 2.296 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.569 -3.360 -0.260 1.00 0.00 C ATOM 0 H ILE A 44 -5.454 -6.258 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.314 -6.164 2.338 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.190 -3.902 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.449 -5.148 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.437 -5.289 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.728 -2.521 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.047 -3.264 2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.402 -3.936 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.683 -3.610 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.291 -2.849 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.287 -2.706 0.565 1.00 0.00 H new ATOM 361 N SER A 45 -6.370 -5.705 3.646 1.00 0.00 N ATOM 362 CA SER A 45 -7.576 -5.496 4.438 1.00 0.00 C ATOM 363 C SER A 45 -7.625 -4.074 4.986 1.00 0.00 C ATOM 364 O SER A 45 -6.617 -3.369 5.007 1.00 0.00 O ATOM 365 CB SER A 45 -7.635 -6.502 5.591 1.00 0.00 C ATOM 366 OG SER A 45 -8.975 -6.756 5.975 1.00 0.00 O ATOM 0 H SER A 45 -5.571 -6.052 4.177 1.00 0.00 H new ATOM 0 HA SER A 45 -8.439 -5.647 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.156 -7.434 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.075 -6.117 6.443 1.00 0.00 H new ATOM 0 HG SER A 45 -8.987 -7.402 6.711 1.00 0.00 H new ATOM 371 N ARG A 46 -8.807 -3.659 5.432 1.00 0.00 N ATOM 372 CA ARG A 46 -8.991 -2.320 5.980 1.00 0.00 C ATOM 373 C ARG A 46 -8.176 -2.140 7.257 1.00 0.00 C ATOM 374 O ARG A 46 -7.480 -1.137 7.428 1.00 0.00 O ATOM 375 CB ARG A 46 -10.471 -2.060 6.263 1.00 0.00 C ATOM 376 CG ARG A 46 -11.387 -2.425 5.106 1.00 0.00 C ATOM 377 CD ARG A 46 -12.654 -1.584 5.113 1.00 0.00 C ATOM 378 NE ARG A 46 -13.306 -1.588 6.420 1.00 0.00 N ATOM 379 CZ ARG A 46 -14.041 -2.598 6.871 1.00 0.00 C ATOM 380 NH1 ARG A 46 -14.218 -3.679 6.124 1.00 0.00 N ATOM 381 NH2 ARG A 46 -14.603 -2.528 8.070 1.00 0.00 N ATOM 0 H ARG A 46 -9.651 -4.231 5.424 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.640 -1.600 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.769 -2.628 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.606 -1.005 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.859 -2.282 4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.649 -3.481 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.411 -0.559 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.346 -1.964 4.362 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.191 -0.771 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.789 -3.736 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.783 -4.453 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.471 -1.698 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.167 -3.305 8.415 1.00 0.00 H new ATOM 392 N THR A 47 -8.268 -3.117 8.154 1.00 0.00 N ATOM 393 CA THR A 47 -7.542 -3.065 9.417 1.00 0.00 C ATOM 394 C THR A 47 -6.061 -2.785 9.190 1.00 0.00 C ATOM 395 O THR A 47 -5.407 -2.150 10.015 1.00 0.00 O ATOM 396 CB THR A 47 -7.688 -4.383 10.202 1.00 0.00 C ATOM 397 OG1 THR A 47 -7.703 -5.493 9.300 1.00 0.00 O ATOM 398 CG2 THR A 47 -8.965 -4.380 11.031 1.00 0.00 C ATOM 0 H THR A 47 -8.838 -3.954 8.029 1.00 0.00 H new ATOM 0 HA THR A 47 -7.977 -2.252 9.998 1.00 0.00 H new ATOM 0 HB THR A 47 -6.835 -4.475 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.794 -6.326 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.047 -5.320 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.938 -3.551 11.738 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.826 -4.266 10.372 1.00 0.00 H new ATOM 406 N GLU A 48 -5.539 -3.264 8.064 1.00 0.00 N ATOM 407 CA GLU A 48 -4.134 -3.064 7.729 1.00 0.00 C ATOM 408 C GLU A 48 -3.953 -1.822 6.861 1.00 0.00 C ATOM 409 O GLU A 48 -2.880 -1.218 6.839 1.00 0.00 O ATOM 410 CB GLU A 48 -3.581 -4.292 7.002 1.00 0.00 C ATOM 411 CG GLU A 48 -3.334 -5.481 7.916 1.00 0.00 C ATOM 412 CD GLU A 48 -2.677 -6.642 7.198 1.00 0.00 C ATOM 413 OE1 GLU A 48 -2.331 -6.485 6.007 1.00 0.00 O ATOM 414 OE2 GLU A 48 -2.506 -7.708 7.826 1.00 0.00 O ATOM 0 H GLU A 48 -6.068 -3.792 7.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.582 -2.921 8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.280 -4.586 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.646 -4.022 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.703 -5.170 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.282 -5.811 8.341 1.00 0.00 H new ATOM 419 N ALA A 49 -5.010 -1.445 6.150 1.00 0.00 N ATOM 420 CA ALA A 49 -4.970 -0.274 5.282 1.00 0.00 C ATOM 421 C ALA A 49 -4.570 0.973 6.062 1.00 0.00 C ATOM 422 O ALA A 49 -3.527 1.572 5.803 1.00 0.00 O ATOM 423 CB ALA A 49 -6.319 -0.069 4.610 1.00 0.00 C ATOM 0 H ALA A 49 -5.905 -1.934 6.158 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.217 -0.447 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.275 0.809 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.565 -0.947 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.086 0.078 5.371 1.00 0.00 H new ATOM 429 N ALA A 50 -5.408 1.361 7.018 1.00 0.00 N ATOM 430 CA ALA A 50 -5.140 2.536 7.838 1.00 0.00 C ATOM 431 C ALA A 50 -3.742 2.479 8.441 1.00 0.00 C ATOM 432 O ALA A 50 -2.938 3.395 8.259 1.00 0.00 O ATOM 433 CB ALA A 50 -6.186 2.664 8.936 1.00 0.00 C ATOM 0 H ALA A 50 -6.278 0.879 7.244 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.194 3.415 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.973 3.546 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.175 2.762 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.161 1.776 9.568 1.00 0.00 H new ATOM 439 N ASP A 51 -3.455 1.399 9.160 1.00 0.00 N ATOM 440 CA ASP A 51 -2.152 1.223 9.790 1.00 0.00 C ATOM 441 C ASP A 51 -1.028 1.423 8.779 1.00 0.00 C ATOM 442 O ASP A 51 -0.079 2.167 9.027 1.00 0.00 O ATOM 443 CB ASP A 51 -2.049 -0.168 10.418 1.00 0.00 C ATOM 444 CG ASP A 51 -0.768 -0.355 11.204 1.00 0.00 C ATOM 445 OD1 ASP A 51 -0.542 0.412 12.164 1.00 0.00 O ATOM 446 OD2 ASP A 51 0.011 -1.269 10.861 1.00 0.00 O ATOM 0 H ASP A 51 -4.108 0.632 9.321 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.050 1.975 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.903 -0.330 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.104 -0.923 9.633 1.00 0.00 H new ATOM 450 N LEU A 52 -1.140 0.751 7.637 1.00 0.00 N ATOM 451 CA LEU A 52 -0.131 0.853 6.588 1.00 0.00 C ATOM 452 C LEU A 52 0.097 2.309 6.192 1.00 0.00 C ATOM 453 O LEU A 52 1.230 2.791 6.186 1.00 0.00 O ATOM 454 CB LEU A 52 -0.558 0.041 5.363 1.00 0.00 C ATOM 455 CG LEU A 52 0.418 0.038 4.187 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.220 1.277 3.327 1.00 0.00 C ATOM 457 CD2 LEU A 52 1.854 -0.044 4.685 1.00 0.00 C ATOM 0 H LEU A 52 -1.919 0.131 7.415 1.00 0.00 H new ATOM 0 HA LEU A 52 0.804 0.450 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.723 -0.990 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.516 0.425 5.013 1.00 0.00 H new ATOM 0 HG LEU A 52 0.217 -0.841 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.923 1.258 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.799 1.293 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.394 2.169 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.535 -0.045 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.068 0.815 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.988 -0.961 5.258 1.00 0.00 H new ATOM 468 N CYS A 53 -0.988 3.004 5.865 1.00 0.00 N ATOM 469 CA CYS A 53 -0.907 4.405 5.469 1.00 0.00 C ATOM 470 C CYS A 53 -0.133 5.219 6.503 1.00 0.00 C ATOM 471 O CYS A 53 0.869 5.860 6.183 1.00 0.00 O ATOM 472 CB CYS A 53 -2.310 4.988 5.293 1.00 0.00 C ATOM 473 SG CYS A 53 -3.319 4.132 4.040 1.00 0.00 S ATOM 0 H CYS A 53 -1.933 2.620 5.867 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.376 4.458 4.519 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.830 4.951 6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.223 6.039 5.018 1.00 0.00 H new ATOM 477 N LYS A 54 -0.604 5.186 7.745 1.00 0.00 N ATOM 478 CA LYS A 54 0.044 5.918 8.828 1.00 0.00 C ATOM 479 C LYS A 54 1.519 5.541 8.935 1.00 0.00 C ATOM 480 O LYS A 54 2.360 6.376 9.261 1.00 0.00 O ATOM 481 CB LYS A 54 -0.662 5.636 10.156 1.00 0.00 C ATOM 482 CG LYS A 54 -0.104 6.431 11.323 1.00 0.00 C ATOM 483 CD LYS A 54 -0.324 5.712 12.643 1.00 0.00 C ATOM 484 CE LYS A 54 0.104 6.571 13.824 1.00 0.00 C ATOM 485 NZ LYS A 54 -0.595 6.178 15.078 1.00 0.00 N ATOM 0 H LYS A 54 -1.432 4.661 8.027 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.026 6.983 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.723 5.861 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.583 4.572 10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.962 6.600 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.580 7.411 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.377 5.450 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.238 4.778 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.181 6.483 13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.104 7.618 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.276 6.787 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.622 6.286 14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.376 5.186 15.301 1.00 0.00 H new ATOM 495 N ALA A 55 1.822 4.276 8.657 1.00 0.00 N ATOM 496 CA ALA A 55 3.194 3.790 8.719 1.00 0.00 C ATOM 497 C ALA A 55 4.034 4.368 7.585 1.00 0.00 C ATOM 498 O ALA A 55 5.227 4.623 7.749 1.00 0.00 O ATOM 499 CB ALA A 55 3.218 2.269 8.672 1.00 0.00 C ATOM 0 H ALA A 55 1.136 3.571 8.387 1.00 0.00 H new ATOM 0 HA ALA A 55 3.627 4.121 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.249 1.920 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.661 1.870 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.761 1.926 7.744 1.00 0.00 H new ATOM 505 N PHE A 56 3.403 4.574 6.433 1.00 0.00 N ATOM 506 CA PHE A 56 4.093 5.122 5.271 1.00 0.00 C ATOM 507 C PHE A 56 3.929 6.638 5.206 1.00 0.00 C ATOM 508 O PHE A 56 3.853 7.219 4.124 1.00 0.00 O ATOM 509 CB PHE A 56 3.558 4.485 3.988 1.00 0.00 C ATOM 510 CG PHE A 56 4.439 4.714 2.792 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.810 4.540 2.882 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.895 5.104 1.579 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.623 4.750 1.785 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.703 5.315 0.479 1.00 0.00 C ATOM 515 CZ PHE A 56 6.069 5.140 0.581 1.00 0.00 C ATOM 0 H PHE A 56 2.416 4.370 6.280 1.00 0.00 H new ATOM 0 HA PHE A 56 5.154 4.893 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.443 3.412 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.565 4.885 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.249 4.237 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.828 5.245 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.691 4.609 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.266 5.617 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.702 5.307 -0.278 1.00 0.00 H new ATOM 524 N ASN A 57 3.875 7.273 6.372 1.00 0.00 N ATOM 525 CA ASN A 57 3.720 8.721 6.449 1.00 0.00 C ATOM 526 C ASN A 57 2.520 9.183 5.628 1.00 0.00 C ATOM 527 O ASN A 57 2.622 10.111 4.827 1.00 0.00 O ATOM 528 CB ASN A 57 4.988 9.417 5.956 1.00 0.00 C ATOM 529 CG ASN A 57 4.943 10.919 6.166 1.00 0.00 C ATOM 530 OD1 ASN A 57 4.968 11.692 5.209 1.00 0.00 O ATOM 531 ND2 ASN A 57 4.876 11.337 7.425 1.00 0.00 N ATOM 0 H ASN A 57 3.936 6.807 7.277 1.00 0.00 H new ATOM 0 HA ASN A 57 3.549 8.989 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.851 9.006 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.127 9.205 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.843 12.336 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.858 10.659 8.187 1.00 0.00 H new ATOM 537 N SER A 58 1.381 8.529 5.835 1.00 0.00 N ATOM 538 CA SER A 58 0.161 8.870 5.112 1.00 0.00 C ATOM 539 C SER A 58 -1.052 8.812 6.035 1.00 0.00 C ATOM 540 O SER A 58 -0.921 8.580 7.237 1.00 0.00 O ATOM 541 CB SER A 58 -0.039 7.920 3.929 1.00 0.00 C ATOM 542 OG SER A 58 0.822 8.257 2.854 1.00 0.00 O ATOM 0 H SER A 58 1.278 7.760 6.497 1.00 0.00 H new ATOM 0 HA SER A 58 0.263 9.889 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.153 6.895 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.076 7.962 3.596 1.00 0.00 H new ATOM 0 HG SER A 58 0.507 7.822 2.034 1.00 0.00 H new ATOM 547 N THR A 59 -2.233 9.022 5.464 1.00 0.00 N ATOM 548 CA THR A 59 -3.472 8.995 6.233 1.00 0.00 C ATOM 549 C THR A 59 -4.631 8.478 5.391 1.00 0.00 C ATOM 550 O THR A 59 -4.439 8.023 4.264 1.00 0.00 O ATOM 551 CB THR A 59 -3.826 10.394 6.774 1.00 0.00 C ATOM 552 OG1 THR A 59 -4.160 11.269 5.690 1.00 0.00 O ATOM 553 CG2 THR A 59 -2.668 10.978 7.568 1.00 0.00 C ATOM 0 H THR A 59 -2.359 9.213 4.470 1.00 0.00 H new ATOM 0 HA THR A 59 -3.309 8.319 7.073 1.00 0.00 H new ATOM 0 HB THR A 59 -4.685 10.295 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.385 12.155 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.943 11.965 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.438 10.325 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.792 11.063 6.925 1.00 0.00 H new ATOM 561 N LEU A 60 -5.837 8.554 5.944 1.00 0.00 N ATOM 562 CA LEU A 60 -7.031 8.094 5.243 1.00 0.00 C ATOM 563 C LEU A 60 -7.799 9.270 4.649 1.00 0.00 C ATOM 564 O LEU A 60 -8.502 10.000 5.347 1.00 0.00 O ATOM 565 CB LEU A 60 -7.934 7.308 6.194 1.00 0.00 C ATOM 566 CG LEU A 60 -7.540 5.851 6.443 1.00 0.00 C ATOM 567 CD1 LEU A 60 -8.208 5.326 7.705 1.00 0.00 C ATOM 568 CD2 LEU A 60 -7.908 4.988 5.245 1.00 0.00 C ATOM 0 H LEU A 60 -6.014 8.930 6.876 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.716 7.441 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.957 7.826 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.949 7.326 5.797 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.460 5.805 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.916 4.288 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.896 5.927 8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.291 5.386 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.621 3.955 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.984 5.040 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.384 5.350 4.361 1.00 0.00 H new ATOM 579 N PRO A 61 -7.668 9.454 3.326 1.00 0.00 N ATOM 580 CA PRO A 61 -8.346 10.539 2.608 1.00 0.00 C ATOM 581 C PRO A 61 -9.853 10.327 2.526 1.00 0.00 C ATOM 582 O PRO A 61 -10.353 9.235 2.797 1.00 0.00 O ATOM 583 CB PRO A 61 -7.721 10.482 1.211 1.00 0.00 C ATOM 584 CG PRO A 61 -7.261 9.074 1.058 1.00 0.00 C ATOM 585 CD PRO A 61 -6.848 8.622 2.432 1.00 0.00 C ATOM 0 HA PRO A 61 -8.222 11.500 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.446 10.747 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.890 11.182 1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.058 8.444 0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.427 9.010 0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.043 7.560 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.783 8.778 2.603 1.00 0.00 H new ATOM 590 N THR A 62 -10.575 11.378 2.152 1.00 0.00 N ATOM 591 CA THR A 62 -12.025 11.306 2.034 1.00 0.00 C ATOM 592 C THR A 62 -12.445 10.891 0.629 1.00 0.00 C ATOM 593 O THR A 62 -11.603 10.588 -0.215 1.00 0.00 O ATOM 594 CB THR A 62 -12.684 12.657 2.377 1.00 0.00 C ATOM 595 OG1 THR A 62 -12.252 13.660 1.449 1.00 0.00 O ATOM 596 CG2 THR A 62 -12.335 13.086 3.793 1.00 0.00 C ATOM 0 H THR A 62 -10.178 12.290 1.925 1.00 0.00 H new ATOM 0 HA THR A 62 -12.362 10.553 2.747 1.00 0.00 H new ATOM 0 HB THR A 62 -13.765 12.538 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.675 14.515 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.811 14.042 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.689 12.334 4.499 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.254 13.190 3.886 1.00 0.00 H new ATOM 604 N MET A 63 -13.751 10.881 0.385 1.00 0.00 N ATOM 605 CA MET A 63 -14.281 10.504 -0.920 1.00 0.00 C ATOM 606 C MET A 63 -13.902 11.534 -1.980 1.00 0.00 C ATOM 607 O MET A 63 -13.437 11.182 -3.063 1.00 0.00 O ATOM 608 CB MET A 63 -15.802 10.359 -0.854 1.00 0.00 C ATOM 609 CG MET A 63 -16.458 10.196 -2.216 1.00 0.00 C ATOM 610 SD MET A 63 -18.238 9.932 -2.103 1.00 0.00 S ATOM 611 CE MET A 63 -18.437 8.512 -3.176 1.00 0.00 C ATOM 0 H MET A 63 -14.462 11.129 1.073 1.00 0.00 H new ATOM 0 HA MET A 63 -13.844 9.545 -1.198 1.00 0.00 H new ATOM 0 HB2 MET A 63 -16.050 9.497 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.221 11.236 -0.361 1.00 0.00 H new ATOM 0 HG2 MET A 63 -16.264 11.084 -2.817 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.002 9.354 -2.736 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.404 8.567 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 63 -17.642 8.505 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.387 7.598 -2.584 1.00 0.00 H new ATOM 619 N ALA A 64 -14.104 12.807 -1.657 1.00 0.00 N ATOM 620 CA ALA A 64 -13.782 13.889 -2.582 1.00 0.00 C ATOM 621 C ALA A 64 -12.353 13.759 -3.101 1.00 0.00 C ATOM 622 O ALA A 64 -12.085 14.014 -4.274 1.00 0.00 O ATOM 623 CB ALA A 64 -13.978 15.236 -1.905 1.00 0.00 C ATOM 0 H ALA A 64 -14.488 13.115 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.459 13.820 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.734 16.034 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.016 15.336 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.324 15.305 -1.035 1.00 0.00 H new ATOM 629 N GLN A 65 -11.441 13.362 -2.218 1.00 0.00 N ATOM 630 CA GLN A 65 -10.040 13.201 -2.589 1.00 0.00 C ATOM 631 C GLN A 65 -9.900 12.285 -3.800 1.00 0.00 C ATOM 632 O GLN A 65 -9.244 12.635 -4.781 1.00 0.00 O ATOM 633 CB GLN A 65 -9.242 12.636 -1.413 1.00 0.00 C ATOM 634 CG GLN A 65 -8.819 13.689 -0.402 1.00 0.00 C ATOM 635 CD GLN A 65 -7.669 14.545 -0.897 1.00 0.00 C ATOM 636 OE1 GLN A 65 -7.642 14.960 -2.056 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.709 14.812 -0.019 1.00 0.00 N ATOM 0 H GLN A 65 -11.647 13.146 -1.243 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.644 14.182 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.842 11.880 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.353 12.134 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.671 14.329 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.528 13.199 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.772 14.448 0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.909 15.381 -0.295 1.00 0.00 H new ATOM 644 N MET A 66 -10.520 11.112 -3.726 1.00 0.00 N ATOM 645 CA MET A 66 -10.465 10.148 -4.817 1.00 0.00 C ATOM 646 C MET A 66 -11.040 10.742 -6.099 1.00 0.00 C ATOM 647 O MET A 66 -10.351 10.833 -7.114 1.00 0.00 O ATOM 648 CB MET A 66 -11.231 8.877 -4.442 1.00 0.00 C ATOM 649 CG MET A 66 -10.502 8.004 -3.433 1.00 0.00 C ATOM 650 SD MET A 66 -8.996 7.274 -4.105 1.00 0.00 S ATOM 651 CE MET A 66 -9.653 6.374 -5.509 1.00 0.00 C ATOM 0 H MET A 66 -11.067 10.807 -2.921 1.00 0.00 H new ATOM 0 HA MET A 66 -9.419 9.896 -4.992 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.203 9.155 -4.034 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.418 8.296 -5.345 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.252 8.601 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.168 7.209 -3.098 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.241 5.365 -5.520 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.739 6.321 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.380 6.888 -6.431 1.00 0.00 H new ATOM 659 N GLU A 67 -12.306 11.146 -6.043 1.00 0.00 N ATOM 660 CA GLU A 67 -12.972 11.731 -7.200 1.00 0.00 C ATOM 661 C GLU A 67 -12.146 12.874 -7.784 1.00 0.00 C ATOM 662 O GLU A 67 -12.177 13.125 -8.988 1.00 0.00 O ATOM 663 CB GLU A 67 -14.363 12.239 -6.812 1.00 0.00 C ATOM 664 CG GLU A 67 -15.196 11.216 -6.058 1.00 0.00 C ATOM 665 CD GLU A 67 -16.678 11.339 -6.355 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.026 11.692 -7.501 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.490 11.083 -5.441 1.00 0.00 O ATOM 0 H GLU A 67 -12.890 11.079 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.074 10.955 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.256 13.132 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.897 12.536 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.858 10.213 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.032 11.337 -4.987 1.00 0.00 H new ATOM 672 N LYS A 68 -11.407 13.563 -6.921 1.00 0.00 N ATOM 673 CA LYS A 68 -10.572 14.679 -7.348 1.00 0.00 C ATOM 674 C LYS A 68 -9.349 14.180 -8.112 1.00 0.00 C ATOM 675 O LYS A 68 -8.970 14.750 -9.134 1.00 0.00 O ATOM 676 CB LYS A 68 -10.129 15.503 -6.137 1.00 0.00 C ATOM 677 CG LYS A 68 -9.604 16.882 -6.501 1.00 0.00 C ATOM 678 CD LYS A 68 -10.729 17.900 -6.597 1.00 0.00 C ATOM 679 CE LYS A 68 -11.248 18.288 -5.222 1.00 0.00 C ATOM 680 NZ LYS A 68 -12.617 18.873 -5.290 1.00 0.00 N ATOM 0 H LYS A 68 -11.370 13.368 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.162 15.310 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.972 15.612 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.353 14.957 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.881 17.206 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.076 16.831 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.373 18.789 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.544 17.488 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.260 17.409 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.568 19.008 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.935 19.124 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.601 19.726 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.272 18.177 -5.701 1.00 0.00 H new ATOM 690 N ALA A 69 -8.736 13.113 -7.609 1.00 0.00 N ATOM 691 CA ALA A 69 -7.559 12.538 -8.246 1.00 0.00 C ATOM 692 C ALA A 69 -7.901 11.965 -9.618 1.00 0.00 C ATOM 693 O ALA A 69 -7.018 11.739 -10.446 1.00 0.00 O ATOM 694 CB ALA A 69 -6.952 11.460 -7.359 1.00 0.00 C ATOM 0 H ALA A 69 -9.036 12.630 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.827 13.334 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.073 11.039 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.662 11.896 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.686 10.672 -7.190 1.00 0.00 H new ATOM 700 N LEU A 70 -9.189 11.733 -9.852 1.00 0.00 N ATOM 701 CA LEU A 70 -9.649 11.185 -11.123 1.00 0.00 C ATOM 702 C LEU A 70 -9.074 11.974 -12.295 1.00 0.00 C ATOM 703 O LEU A 70 -8.564 11.397 -13.256 1.00 0.00 O ATOM 704 CB LEU A 70 -11.177 11.200 -11.184 1.00 0.00 C ATOM 705 CG LEU A 70 -11.801 10.761 -12.510 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.156 9.283 -12.470 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.031 11.599 -12.824 1.00 0.00 C ATOM 0 H LEU A 70 -9.932 11.916 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.299 10.155 -11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.558 10.553 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.520 12.211 -10.961 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.069 10.916 -13.303 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.599 8.989 -13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.254 8.697 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.870 9.102 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.462 11.273 -13.771 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.767 11.477 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.747 12.649 -12.897 1.00 0.00 H new ATOM 718 N SER A 71 -9.157 13.298 -12.208 1.00 0.00 N ATOM 719 CA SER A 71 -8.646 14.166 -13.261 1.00 0.00 C ATOM 720 C SER A 71 -7.141 14.368 -13.120 1.00 0.00 C ATOM 721 O SER A 71 -6.480 14.858 -14.035 1.00 0.00 O ATOM 722 CB SER A 71 -9.359 15.520 -13.226 1.00 0.00 C ATOM 723 OG SER A 71 -8.989 16.321 -14.336 1.00 0.00 O ATOM 0 H SER A 71 -9.573 13.792 -11.419 1.00 0.00 H new ATOM 0 HA SER A 71 -8.841 13.684 -14.219 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.438 15.366 -13.228 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.113 16.040 -12.300 1.00 0.00 H new ATOM 0 HG SER A 71 -8.068 16.113 -14.597 1.00 0.00 H new ATOM 728 N ILE A 72 -6.606 13.984 -11.964 1.00 0.00 N ATOM 729 CA ILE A 72 -5.179 14.120 -11.701 1.00 0.00 C ATOM 730 C ILE A 72 -4.402 12.929 -12.251 1.00 0.00 C ATOM 731 O ILE A 72 -3.203 13.023 -12.510 1.00 0.00 O ATOM 732 CB ILE A 72 -4.895 14.253 -10.193 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.681 15.426 -9.605 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.404 14.432 -9.950 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.539 15.558 -8.105 1.00 0.00 C ATOM 0 H ILE A 72 -7.140 13.577 -11.196 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.850 15.028 -12.206 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.218 13.339 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.346 16.350 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.736 15.307 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.218 14.525 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.866 13.567 -10.338 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.058 15.332 -10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.123 16.410 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.902 14.650 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.490 15.709 -7.851 1.00 0.00 H new ATOM 746 N GLY A 73 -5.095 11.808 -12.428 1.00 0.00 N ATOM 747 CA GLY A 73 -4.455 10.614 -12.947 1.00 0.00 C ATOM 748 C GLY A 73 -4.789 9.377 -12.138 1.00 0.00 C ATOM 749 O GLY A 73 -3.911 8.570 -11.835 1.00 0.00 O ATOM 0 H GLY A 73 -6.089 11.706 -12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.763 10.461 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.375 10.759 -12.954 1.00 0.00 H new ATOM 753 N PHE A 74 -6.061 9.229 -11.784 1.00 0.00 N ATOM 754 CA PHE A 74 -6.509 8.083 -11.000 1.00 0.00 C ATOM 755 C PHE A 74 -7.494 7.233 -11.796 1.00 0.00 C ATOM 756 O PHE A 74 -8.705 7.436 -11.722 1.00 0.00 O ATOM 757 CB PHE A 74 -7.158 8.552 -9.697 1.00 0.00 C ATOM 758 CG PHE A 74 -6.964 7.598 -8.554 1.00 0.00 C ATOM 759 CD1 PHE A 74 -7.525 6.331 -8.588 1.00 0.00 C ATOM 760 CD2 PHE A 74 -6.219 7.967 -7.445 1.00 0.00 C ATOM 761 CE1 PHE A 74 -7.348 5.452 -7.537 1.00 0.00 C ATOM 762 CE2 PHE A 74 -6.039 7.091 -6.390 1.00 0.00 C ATOM 763 CZ PHE A 74 -6.604 5.833 -6.437 1.00 0.00 C ATOM 0 H PHE A 74 -6.800 9.888 -12.027 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.638 7.472 -10.763 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.745 9.523 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.226 8.695 -9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.107 6.028 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.774 8.950 -7.404 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.791 4.468 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.457 7.391 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.465 5.147 -5.615 1.00 0.00 H new ATOM 772 N GLU A 75 -6.964 6.280 -12.557 1.00 0.00 N ATOM 773 CA GLU A 75 -7.797 5.399 -13.368 1.00 0.00 C ATOM 774 C GLU A 75 -7.584 3.938 -12.978 1.00 0.00 C ATOM 775 O GLU A 75 -6.688 3.270 -13.496 1.00 0.00 O ATOM 776 CB GLU A 75 -7.488 5.593 -14.853 1.00 0.00 C ATOM 777 CG GLU A 75 -6.086 6.116 -15.121 1.00 0.00 C ATOM 778 CD GLU A 75 -5.008 5.190 -14.592 1.00 0.00 C ATOM 779 OE1 GLU A 75 -4.726 4.170 -15.254 1.00 0.00 O ATOM 780 OE2 GLU A 75 -4.444 5.487 -13.518 1.00 0.00 O ATOM 0 H GLU A 75 -5.963 6.098 -12.629 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.840 5.657 -13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.616 4.642 -15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.213 6.287 -15.278 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.951 6.249 -16.194 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.974 7.098 -14.661 1.00 0.00 H new ATOM 785 N THR A 76 -8.414 3.448 -12.063 1.00 0.00 N ATOM 786 CA THR A 76 -8.316 2.070 -11.602 1.00 0.00 C ATOM 787 C THR A 76 -9.683 1.393 -11.596 1.00 0.00 C ATOM 788 O THR A 76 -10.673 1.978 -11.154 1.00 0.00 O ATOM 789 CB THR A 76 -7.710 1.991 -10.188 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.678 2.401 -9.217 1.00 0.00 O ATOM 791 CG2 THR A 76 -6.473 2.869 -10.080 1.00 0.00 C ATOM 0 H THR A 76 -9.162 3.986 -11.626 1.00 0.00 H new ATOM 0 HA THR A 76 -7.659 1.550 -12.300 1.00 0.00 H new ATOM 0 HB THR A 76 -7.420 0.958 -9.998 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.286 2.346 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.063 2.797 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.726 2.536 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.742 3.904 -10.289 1.00 0.00 H new ATOM 799 N CYS A 77 -9.730 0.160 -12.086 1.00 0.00 N ATOM 800 CA CYS A 77 -10.975 -0.596 -12.135 1.00 0.00 C ATOM 801 C CYS A 77 -11.117 -1.493 -10.910 1.00 0.00 C ATOM 802 O CYS A 77 -11.846 -2.486 -10.935 1.00 0.00 O ATOM 803 CB CYS A 77 -11.032 -1.442 -13.410 1.00 0.00 C ATOM 804 SG CYS A 77 -12.703 -1.616 -14.113 1.00 0.00 S ATOM 0 H CYS A 77 -8.920 -0.338 -12.455 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.802 0.114 -12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.379 -0.995 -14.159 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.636 -2.434 -13.193 1.00 0.00 H new ATOM 808 N ARG A 78 -10.415 -1.136 -9.839 1.00 0.00 N ATOM 809 CA ARG A 78 -10.462 -1.910 -8.603 1.00 0.00 C ATOM 810 C ARG A 78 -10.697 -1.000 -7.402 1.00 0.00 C ATOM 811 O ARG A 78 -9.770 -0.365 -6.901 1.00 0.00 O ATOM 812 CB ARG A 78 -9.161 -2.693 -8.417 1.00 0.00 C ATOM 813 CG ARG A 78 -8.791 -3.555 -9.614 1.00 0.00 C ATOM 814 CD ARG A 78 -7.918 -2.794 -10.599 1.00 0.00 C ATOM 815 NE ARG A 78 -7.087 -3.691 -11.399 1.00 0.00 N ATOM 816 CZ ARG A 78 -6.055 -3.282 -12.128 1.00 0.00 C ATOM 817 NH1 ARG A 78 -5.730 -1.997 -12.159 1.00 0.00 N ATOM 818 NH2 ARG A 78 -5.347 -4.158 -12.829 1.00 0.00 N ATOM 0 H ARG A 78 -9.808 -0.317 -9.802 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.293 -2.612 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.350 -1.992 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.253 -3.329 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.265 -4.447 -9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.698 -3.892 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.549 -2.199 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.280 -2.097 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.312 -4.686 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.273 -1.321 -11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.937 -1.685 -12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.595 -5.147 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.555 -3.842 -13.388 1.00 0.00 H new ATOM 829 N TYR A 79 -11.943 -0.944 -6.944 1.00 0.00 N ATOM 830 CA TYR A 79 -12.301 -0.110 -5.803 1.00 0.00 C ATOM 831 C TYR A 79 -11.379 -0.382 -4.619 1.00 0.00 C ATOM 832 O TYR A 79 -10.759 -1.441 -4.530 1.00 0.00 O ATOM 833 CB TYR A 79 -13.755 -0.359 -5.399 1.00 0.00 C ATOM 834 CG TYR A 79 -14.051 -1.804 -5.063 1.00 0.00 C ATOM 835 CD1 TYR A 79 -13.644 -2.354 -3.854 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.740 -2.617 -5.954 1.00 0.00 C ATOM 837 CE1 TYR A 79 -13.911 -3.673 -3.544 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.012 -3.937 -5.651 1.00 0.00 C ATOM 839 CZ TYR A 79 -14.596 -4.461 -4.445 1.00 0.00 C ATOM 840 OH TYR A 79 -14.866 -5.775 -4.139 1.00 0.00 O ATOM 0 H TYR A 79 -12.722 -1.466 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.186 0.933 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.995 0.262 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.409 -0.042 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.110 -1.740 -3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.068 -2.210 -6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.585 -4.085 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.548 -4.556 -6.355 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.356 -6.189 -4.880 1.00 0.00 H new ATOM 849 N GLY A 80 -11.293 0.585 -3.710 1.00 0.00 N ATOM 850 CA GLY A 80 -10.444 0.432 -2.542 1.00 0.00 C ATOM 851 C GLY A 80 -11.125 0.891 -1.267 1.00 0.00 C ATOM 852 O GLY A 80 -12.349 1.020 -1.220 1.00 0.00 O ATOM 0 H GLY A 80 -11.796 1.471 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.156 -0.614 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.526 1.003 -2.686 1.00 0.00 H new ATOM 856 N PHE A 81 -10.331 1.136 -0.230 1.00 0.00 N ATOM 857 CA PHE A 81 -10.865 1.580 1.053 1.00 0.00 C ATOM 858 C PHE A 81 -10.299 2.945 1.433 1.00 0.00 C ATOM 859 O PHE A 81 -9.110 3.210 1.252 1.00 0.00 O ATOM 860 CB PHE A 81 -10.539 0.558 2.145 1.00 0.00 C ATOM 861 CG PHE A 81 -10.821 -0.861 1.742 1.00 0.00 C ATOM 862 CD1 PHE A 81 -12.078 -1.229 1.286 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.831 -1.826 1.818 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.339 -2.534 0.915 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.088 -3.133 1.448 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.343 -3.487 0.996 1.00 0.00 C ATOM 0 H PHE A 81 -9.316 1.035 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.947 1.668 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.486 0.649 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -11.117 0.795 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.861 -0.488 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.847 -1.555 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.322 -2.809 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.307 -3.876 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.546 -4.507 0.706 1.00 0.00 H new ATOM 875 N ILE A 82 -11.160 3.809 1.962 1.00 0.00 N ATOM 876 CA ILE A 82 -10.749 5.146 2.367 1.00 0.00 C ATOM 877 C ILE A 82 -11.606 5.660 3.519 1.00 0.00 C ATOM 878 O ILE A 82 -12.495 4.960 4.003 1.00 0.00 O ATOM 879 CB ILE A 82 -10.833 6.142 1.195 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.243 6.146 0.602 1.00 0.00 C ATOM 881 CG2 ILE A 82 -9.805 5.794 0.129 1.00 0.00 C ATOM 882 CD1 ILE A 82 -12.437 7.176 -0.489 1.00 0.00 C ATOM 0 H ILE A 82 -12.147 3.605 2.120 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.712 5.070 2.694 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.614 7.142 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.462 5.157 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.963 6.333 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.877 6.507 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.805 5.837 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -9.996 4.788 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.459 7.122 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.250 8.172 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.741 6.978 -1.304 1.00 0.00 H new ATOM 893 N GLU A 83 -11.333 6.887 3.951 1.00 0.00 N ATOM 894 CA GLU A 83 -12.082 7.494 5.046 1.00 0.00 C ATOM 895 C GLU A 83 -13.539 7.717 4.651 1.00 0.00 C ATOM 896 O GLU A 83 -14.443 7.585 5.475 1.00 0.00 O ATOM 897 CB GLU A 83 -11.443 8.824 5.454 1.00 0.00 C ATOM 898 CG GLU A 83 -11.963 9.369 6.773 1.00 0.00 C ATOM 899 CD GLU A 83 -11.574 8.503 7.955 1.00 0.00 C ATOM 900 OE1 GLU A 83 -10.382 8.514 8.331 1.00 0.00 O ATOM 901 OE2 GLU A 83 -12.459 7.815 8.505 1.00 0.00 O ATOM 0 H GLU A 83 -10.600 7.480 3.561 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.055 6.810 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.363 8.692 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.623 9.560 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.577 10.377 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.049 9.448 6.727 1.00 0.00 H new ATOM 906 N GLY A 84 -13.758 8.058 3.384 1.00 0.00 N ATOM 907 CA GLY A 84 -15.106 8.295 2.902 1.00 0.00 C ATOM 908 C GLY A 84 -15.873 7.009 2.672 1.00 0.00 C ATOM 909 O GLY A 84 -16.727 6.634 3.476 1.00 0.00 O ATOM 0 H GLY A 84 -13.026 8.174 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.643 8.911 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.062 8.860 1.971 1.00 0.00 H new ATOM 913 N HIS A 85 -15.572 6.330 1.569 1.00 0.00 N ATOM 914 CA HIS A 85 -16.241 5.078 1.235 1.00 0.00 C ATOM 915 C HIS A 85 -15.530 4.371 0.086 1.00 0.00 C ATOM 916 O HIS A 85 -14.666 4.951 -0.575 1.00 0.00 O ATOM 917 CB HIS A 85 -17.700 5.340 0.863 1.00 0.00 C ATOM 918 CG HIS A 85 -18.660 5.077 1.982 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.582 3.969 2.798 1.00 0.00 N ATOM 920 CD2 HIS A 85 -19.723 5.791 2.421 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.557 4.011 3.689 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.263 5.107 3.482 1.00 0.00 N ATOM 0 H HIS A 85 -14.869 6.626 0.892 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.207 4.431 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.804 6.376 0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -17.967 4.714 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -20.080 6.725 2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.744 3.274 4.456 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.077 5.398 4.022 1.00 0.00 H new ATOM 929 N VAL A 86 -15.894 3.115 -0.148 1.00 0.00 N ATOM 930 CA VAL A 86 -15.292 2.329 -1.218 1.00 0.00 C ATOM 931 C VAL A 86 -15.662 2.889 -2.588 1.00 0.00 C ATOM 932 O VAL A 86 -16.697 2.541 -3.152 1.00 0.00 O ATOM 933 CB VAL A 86 -15.726 0.854 -1.144 1.00 0.00 C ATOM 934 CG1 VAL A 86 -14.927 0.011 -2.127 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.572 0.323 0.274 1.00 0.00 C ATOM 0 H VAL A 86 -16.604 2.619 0.390 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.212 2.389 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.779 0.790 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.248 -1.028 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.094 0.378 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.866 0.079 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.883 -0.721 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.529 0.400 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.193 0.909 0.951 1.00 0.00 H new ATOM 945 N VAL A 87 -14.806 3.758 -3.115 1.00 0.00 N ATOM 946 CA VAL A 87 -15.042 4.366 -4.419 1.00 0.00 C ATOM 947 C VAL A 87 -14.155 3.738 -5.487 1.00 0.00 C ATOM 948 O VAL A 87 -13.230 2.986 -5.176 1.00 0.00 O ATOM 949 CB VAL A 87 -14.788 5.885 -4.385 1.00 0.00 C ATOM 950 CG1 VAL A 87 -15.647 6.547 -3.319 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.312 6.173 -4.147 1.00 0.00 C ATOM 0 H VAL A 87 -13.944 4.057 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.088 4.185 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.066 6.304 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.454 7.620 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -16.700 6.370 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.404 6.127 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.150 7.251 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.006 5.741 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.721 5.733 -4.951 1.00 0.00 H new ATOM 961 N ILE A 88 -14.441 4.050 -6.747 1.00 0.00 N ATOM 962 CA ILE A 88 -13.667 3.516 -7.860 1.00 0.00 C ATOM 963 C ILE A 88 -13.744 4.436 -9.073 1.00 0.00 C ATOM 964 O ILE A 88 -14.559 4.249 -9.976 1.00 0.00 O ATOM 965 CB ILE A 88 -14.156 2.113 -8.264 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.437 1.643 -9.531 1.00 0.00 C ATOM 967 CG2 ILE A 88 -15.663 2.116 -8.474 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.469 0.142 -9.721 1.00 0.00 C ATOM 0 H ILE A 88 -15.203 4.670 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.633 3.448 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.923 1.418 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.894 2.121 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.399 1.975 -9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.993 1.117 -8.759 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.159 2.412 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.919 2.822 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.941 -0.120 -10.638 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.985 -0.343 -8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.504 -0.194 -9.789 1.00 0.00 H new ATOM 979 N PRO A 89 -12.873 5.458 -9.098 1.00 0.00 N ATOM 980 CA PRO A 89 -12.820 6.426 -10.197 1.00 0.00 C ATOM 981 C PRO A 89 -12.287 5.812 -11.486 1.00 0.00 C ATOM 982 O PRO A 89 -11.465 4.897 -11.456 1.00 0.00 O ATOM 983 CB PRO A 89 -11.859 7.499 -9.677 1.00 0.00 C ATOM 984 CG PRO A 89 -11.000 6.790 -8.688 1.00 0.00 C ATOM 985 CD PRO A 89 -11.873 5.743 -8.056 1.00 0.00 C ATOM 0 HA PRO A 89 -13.809 6.807 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.264 7.923 -10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.400 8.324 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.137 6.336 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.616 7.482 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.304 4.852 -7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.339 6.108 -7.141 1.00 0.00 H new ATOM 990 N ARG A 90 -12.761 6.323 -12.619 1.00 0.00 N ATOM 991 CA ARG A 90 -12.332 5.823 -13.920 1.00 0.00 C ATOM 992 C ARG A 90 -12.288 6.951 -14.946 1.00 0.00 C ATOM 993 O ARG A 90 -13.287 7.631 -15.180 1.00 0.00 O ATOM 994 CB ARG A 90 -13.274 4.718 -14.400 1.00 0.00 C ATOM 995 CG ARG A 90 -12.786 3.316 -14.071 1.00 0.00 C ATOM 996 CD ARG A 90 -13.685 2.639 -13.049 1.00 0.00 C ATOM 997 NE ARG A 90 -14.538 1.623 -13.661 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.656 1.171 -13.101 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.052 1.641 -11.928 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -16.379 0.245 -13.720 1.00 0.00 N ATOM 0 H ARG A 90 -13.441 7.082 -12.662 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.328 5.413 -13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.255 4.867 -13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.403 4.805 -15.479 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.754 2.718 -14.982 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.768 3.365 -13.686 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.072 2.179 -12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.307 3.389 -12.560 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.261 1.240 -14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.499 2.353 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.910 1.291 -11.502 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.076 -0.118 -14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.237 -0.103 -13.292 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.122 7.143 -15.556 1.00 0.00 N ATOM 1012 CA ILE A 91 -10.949 8.187 -16.559 1.00 0.00 C ATOM 1013 C ILE A 91 -11.286 7.672 -17.954 1.00 0.00 C ATOM 1014 O ILE A 91 -12.322 8.019 -18.521 1.00 0.00 O ATOM 1015 CB ILE A 91 -9.508 8.731 -16.559 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -9.155 9.304 -15.185 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -9.342 9.790 -17.639 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -7.705 9.109 -14.803 1.00 0.00 C ATOM 0 H ILE A 91 -10.285 6.590 -15.373 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.635 8.993 -16.298 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.825 7.909 -16.775 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.385 10.369 -15.175 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.787 8.834 -14.431 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.319 10.165 -17.627 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.556 9.352 -18.614 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.032 10.613 -17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.527 9.540 -13.818 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.475 8.044 -14.780 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.066 9.603 -15.535 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.405 6.839 -18.501 1.00 0.00 N ATOM 1030 CA HIS A 92 -10.610 6.274 -19.829 1.00 0.00 C ATOM 1031 C HIS A 92 -10.463 4.756 -19.802 1.00 0.00 C ATOM 1032 O HIS A 92 -9.529 4.188 -20.371 1.00 0.00 O ATOM 1033 CB HIS A 92 -9.617 6.877 -20.823 1.00 0.00 C ATOM 1034 CG HIS A 92 -9.873 6.478 -22.243 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -8.977 5.748 -22.994 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -10.936 6.712 -23.050 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -9.475 5.549 -24.201 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -10.663 6.123 -24.261 1.00 0.00 N ATOM 0 H HIS A 92 -9.543 6.541 -18.044 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.624 6.518 -20.148 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.655 7.964 -20.747 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.608 6.573 -20.545 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.830 7.259 -22.790 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.993 5.009 -25.002 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.278 6.128 -25.075 1.00 0.00 H new ATOM 1045 N PRO A 93 -11.402 4.081 -19.125 1.00 0.00 N ATOM 1046 CA PRO A 93 -11.398 2.620 -19.007 1.00 0.00 C ATOM 1047 C PRO A 93 -11.716 1.930 -20.329 1.00 0.00 C ATOM 1048 O PRO A 93 -11.766 2.571 -21.378 1.00 0.00 O ATOM 1049 CB PRO A 93 -12.500 2.343 -17.981 1.00 0.00 C ATOM 1050 CG PRO A 93 -13.415 3.515 -18.082 1.00 0.00 C ATOM 1051 CD PRO A 93 -12.544 4.692 -18.423 1.00 0.00 C ATOM 0 HA PRO A 93 -10.420 2.238 -18.716 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.023 1.413 -18.203 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.090 2.246 -16.976 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.172 3.354 -18.850 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.943 3.680 -17.143 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.067 5.409 -19.056 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.226 5.228 -17.529 1.00 0.00 H new ATOM 1056 N ASN A 94 -11.933 0.621 -20.271 1.00 0.00 N ATOM 1057 CA ASN A 94 -12.247 -0.156 -21.466 1.00 0.00 C ATOM 1058 C ASN A 94 -13.350 -1.172 -21.180 1.00 0.00 C ATOM 1059 O ASN A 94 -13.928 -1.185 -20.095 1.00 0.00 O ATOM 1060 CB ASN A 94 -10.997 -0.874 -21.976 1.00 0.00 C ATOM 1061 CG ASN A 94 -9.879 0.090 -22.327 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -9.349 0.785 -21.461 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -9.517 0.136 -23.604 1.00 0.00 N ATOM 0 H ASN A 94 -11.897 0.075 -19.410 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.601 0.532 -22.234 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.646 -1.572 -21.215 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.254 -1.464 -22.856 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.772 0.766 -23.900 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.984 -0.459 -24.288 1.00 0.00 H new ATOM 1069 N SER A 95 -13.633 -2.021 -22.162 1.00 0.00 N ATOM 1070 CA SER A 95 -14.668 -3.037 -22.019 1.00 0.00 C ATOM 1071 C SER A 95 -14.376 -3.943 -20.826 1.00 0.00 C ATOM 1072 O SER A 95 -15.286 -4.543 -20.251 1.00 0.00 O ATOM 1073 CB SER A 95 -14.772 -3.874 -23.296 1.00 0.00 C ATOM 1074 OG SER A 95 -13.724 -4.826 -23.368 1.00 0.00 O ATOM 0 H SER A 95 -13.160 -2.025 -23.066 1.00 0.00 H new ATOM 0 HA SER A 95 -15.618 -2.532 -21.847 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.734 -4.385 -23.322 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.734 -3.220 -24.167 1.00 0.00 H new ATOM 0 HG SER A 95 -13.813 -5.349 -24.192 1.00 0.00 H new ATOM 1079 N ILE A 96 -13.102 -4.039 -20.461 1.00 0.00 N ATOM 1080 CA ILE A 96 -12.691 -4.870 -19.336 1.00 0.00 C ATOM 1081 C ILE A 96 -13.391 -4.442 -18.051 1.00 0.00 C ATOM 1082 O ILE A 96 -13.519 -5.227 -17.111 1.00 0.00 O ATOM 1083 CB ILE A 96 -11.166 -4.812 -19.122 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -10.433 -5.176 -20.415 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -10.754 -5.745 -17.993 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -8.927 -5.095 -20.298 1.00 0.00 C ATOM 0 H ILE A 96 -12.337 -3.552 -20.928 1.00 0.00 H new ATOM 0 HA ILE A 96 -12.977 -5.894 -19.578 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.891 -3.794 -18.845 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.713 -6.187 -20.710 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -10.764 -4.509 -21.211 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.674 -5.693 -17.854 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.253 -5.444 -17.072 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.039 -6.767 -18.243 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.473 -5.366 -21.251 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.637 -4.078 -20.034 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.585 -5.783 -19.525 1.00 0.00 H new ATOM 1097 N CYS A 97 -13.842 -3.193 -18.018 1.00 0.00 N ATOM 1098 CA CYS A 97 -14.531 -2.661 -16.848 1.00 0.00 C ATOM 1099 C CYS A 97 -16.027 -2.958 -16.915 1.00 0.00 C ATOM 1100 O CYS A 97 -16.505 -3.576 -17.865 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.305 -1.152 -16.742 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.770 -0.689 -15.877 1.00 0.00 S ATOM 0 H CYS A 97 -13.743 -2.530 -18.787 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.121 -3.148 -15.963 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.286 -0.727 -17.745 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.152 -0.704 -16.222 1.00 0.00 H new ATOM 1106 N ALA A 98 -16.758 -2.512 -15.899 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.199 -2.729 -15.844 1.00 0.00 C ATOM 1108 C ALA A 98 -18.914 -1.962 -16.951 1.00 0.00 C ATOM 1109 O ALA A 98 -19.202 -0.773 -16.809 1.00 0.00 O ATOM 1110 CB ALA A 98 -18.741 -2.321 -14.482 1.00 0.00 C ATOM 0 H ALA A 98 -16.377 -1.999 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.387 -3.792 -15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -19.818 -2.488 -14.454 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.261 -2.917 -13.706 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.533 -1.265 -14.309 1.00 0.00 H new ATOM 1116 N ALA A 99 -19.192 -2.648 -18.054 1.00 0.00 N ATOM 1117 CA ALA A 99 -19.873 -2.032 -19.185 1.00 0.00 C ATOM 1118 C ALA A 99 -19.189 -0.732 -19.597 1.00 0.00 C ATOM 1119 O ALA A 99 -19.849 0.249 -19.935 1.00 0.00 O ATOM 1120 CB ALA A 99 -21.335 -1.774 -18.846 1.00 0.00 C ATOM 0 H ALA A 99 -18.956 -3.631 -18.188 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.822 -2.723 -20.026 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -21.831 -1.314 -19.701 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -21.825 -2.718 -18.607 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.397 -1.106 -17.987 1.00 0.00 H new ATOM 1126 N ASN A 100 -17.860 -0.734 -19.567 1.00 0.00 N ATOM 1127 CA ASN A 100 -17.084 0.444 -19.935 1.00 0.00 C ATOM 1128 C ASN A 100 -17.525 1.660 -19.125 1.00 0.00 C ATOM 1129 O ASN A 100 -17.481 2.790 -19.610 1.00 0.00 O ATOM 1130 CB ASN A 100 -17.235 0.733 -21.430 1.00 0.00 C ATOM 1131 CG ASN A 100 -16.986 -0.497 -22.283 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -17.727 -1.478 -22.209 1.00 0.00 O ATOM 1133 ND2 ASN A 100 -15.940 -0.449 -23.099 1.00 0.00 N ATOM 0 H ASN A 100 -17.298 -1.539 -19.291 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.036 0.242 -19.714 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.239 1.110 -21.625 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.537 1.519 -21.718 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -15.723 -1.246 -23.698 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -15.353 0.385 -23.127 1.00 0.00 H new ATOM 1139 N ASN A 101 -17.950 1.419 -17.889 1.00 0.00 N ATOM 1140 CA ASN A 101 -18.398 2.494 -17.011 1.00 0.00 C ATOM 1141 C ASN A 101 -17.360 3.611 -16.946 1.00 0.00 C ATOM 1142 O ASN A 101 -16.188 3.404 -17.260 1.00 0.00 O ATOM 1143 CB ASN A 101 -18.671 1.953 -15.606 1.00 0.00 C ATOM 1144 CG ASN A 101 -20.135 1.621 -15.390 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -20.476 0.522 -14.952 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -21.009 2.572 -15.695 1.00 0.00 N ATOM 0 H ASN A 101 -17.994 0.489 -17.473 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.321 2.904 -17.421 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -18.070 1.059 -15.441 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -18.355 2.690 -14.868 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.008 2.406 -15.569 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.682 3.469 -16.055 1.00 0.00 H new ATOM 1152 N THR A 102 -17.800 4.796 -16.534 1.00 0.00 N ATOM 1153 CA THR A 102 -16.913 5.946 -16.427 1.00 0.00 C ATOM 1154 C THR A 102 -17.214 6.759 -15.173 1.00 0.00 C ATOM 1155 O THR A 102 -18.052 6.376 -14.359 1.00 0.00 O ATOM 1156 CB THR A 102 -17.029 6.863 -17.660 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.689 6.171 -18.725 1.00 0.00 O ATOM 1158 CG2 THR A 102 -15.655 7.325 -18.122 1.00 0.00 C ATOM 0 H THR A 102 -18.767 4.984 -16.269 1.00 0.00 H new ATOM 0 HA THR A 102 -15.897 5.556 -16.368 1.00 0.00 H new ATOM 0 HB THR A 102 -17.614 7.739 -17.380 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.760 6.761 -19.504 1.00 0.00 H new ATOM 0 HG21 THR A 102 -15.762 7.971 -18.993 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.168 7.877 -17.319 1.00 0.00 H new ATOM 0 HG23 THR A 102 -15.049 6.458 -18.385 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.523 7.886 -15.024 1.00 0.00 N ATOM 1167 CA GLY A 103 -16.731 8.735 -13.867 1.00 0.00 C ATOM 1168 C GLY A 103 -16.355 8.050 -12.568 1.00 0.00 C ATOM 1169 O GLY A 103 -15.405 7.267 -12.524 1.00 0.00 O ATOM 0 H GLY A 103 -15.823 8.225 -15.684 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.141 9.645 -13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.778 9.036 -13.825 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.099 8.344 -11.506 1.00 0.00 N ATOM 1174 CA VAL A 104 -16.837 7.751 -10.201 1.00 0.00 C ATOM 1175 C VAL A 104 -17.986 6.847 -9.768 1.00 0.00 C ATOM 1176 O VAL A 104 -19.152 7.136 -10.037 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.617 8.833 -9.127 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -16.375 8.194 -7.768 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.458 9.739 -9.514 1.00 0.00 C ATOM 0 H VAL A 104 -17.888 8.990 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.928 7.157 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.518 9.443 -9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.222 8.973 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.239 7.591 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.490 7.559 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.316 10.498 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.549 9.146 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.677 10.224 -10.465 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.648 5.752 -9.096 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.651 4.803 -8.627 1.00 0.00 C ATOM 1191 C TYR A 105 -18.342 4.342 -7.206 1.00 0.00 C ATOM 1192 O TYR A 105 -17.180 4.255 -6.809 1.00 0.00 O ATOM 1193 CB TYR A 105 -18.720 3.596 -9.563 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.102 2.994 -9.676 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -20.518 1.993 -8.808 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.992 3.427 -10.652 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -21.780 1.440 -8.907 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -22.256 2.881 -10.758 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.646 1.888 -9.884 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.903 1.340 -9.987 1.00 0.00 O ATOM 0 H TYR A 105 -16.687 5.500 -8.864 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.617 5.307 -8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.382 3.896 -10.555 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.028 2.832 -9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -19.843 1.641 -8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -20.690 4.204 -11.339 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -22.087 0.662 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -22.936 3.230 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 105 -24.387 1.767 -10.725 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.391 4.047 -6.446 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.233 3.593 -5.069 1.00 0.00 C ATOM 1211 C ILE A 106 -19.819 2.198 -4.881 1.00 0.00 C ATOM 1212 O ILE A 106 -20.821 1.843 -5.503 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.907 4.559 -4.077 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.596 4.144 -2.638 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -21.410 4.593 -4.309 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -20.641 3.237 -2.030 1.00 0.00 C ATOM 0 H ILE A 106 -20.359 4.114 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.162 3.566 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 106 -19.510 5.561 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.631 3.638 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.502 5.039 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -21.872 5.280 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -21.614 4.929 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -21.823 3.594 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -20.354 2.984 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -21.604 3.747 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -20.720 2.325 -2.621 1.00 0.00 H new ATOM 1227 N LEU A 107 -19.186 1.410 -4.017 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.645 0.052 -3.744 1.00 0.00 C ATOM 1229 C LEU A 107 -18.956 -0.517 -2.509 1.00 0.00 C ATOM 1230 O LEU A 107 -17.793 -0.920 -2.563 1.00 0.00 O ATOM 1231 CB LEU A 107 -19.382 -0.850 -4.951 1.00 0.00 C ATOM 1232 CG LEU A 107 -20.148 -2.173 -4.981 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -21.569 -1.954 -5.478 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -19.426 -3.188 -5.855 1.00 0.00 C ATOM 0 H LEU A 107 -18.355 1.688 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.718 0.089 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -19.625 -0.292 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.315 -1.070 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.196 -2.567 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -22.100 -2.906 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -22.084 -1.261 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.542 -1.538 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -19.986 -4.123 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.347 -2.802 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.427 -3.367 -5.456 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.575 -7.956 1.593 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.232 -7.397 1.467 1.00 0.00 C ATOM 1308 C GLN A 113 -8.760 -7.438 0.019 1.00 0.00 C ATOM 1309 O GLN A 113 -8.767 -8.491 -0.620 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.253 -8.164 2.358 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.253 -9.665 2.111 1.00 0.00 C ATOM 1312 CD GLN A 113 -8.767 -10.451 3.301 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -8.329 -10.245 4.432 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -9.704 -11.359 3.050 1.00 0.00 N ATOM 0 HA GLN A 113 -9.266 -6.356 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.247 -7.777 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -8.501 -7.976 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -8.870 -9.886 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.240 -9.991 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.038 -11.497 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.089 -11.918 3.811 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.350 -6.284 -0.497 1.00 0.00 N ATOM 1322 CA TYR A 114 -7.876 -6.186 -1.872 1.00 0.00 C ATOM 1323 C TYR A 114 -6.781 -5.132 -1.998 1.00 0.00 C ATOM 1324 O TYR A 114 -5.600 -5.457 -2.127 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.036 -5.848 -2.811 1.00 0.00 C ATOM 1326 CG TYR A 114 -9.847 -7.054 -3.230 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.849 -7.561 -2.411 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -9.611 -7.686 -4.445 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.593 -8.661 -2.789 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -10.350 -8.787 -4.831 1.00 0.00 C ATOM 1331 CZ TYR A 114 -11.339 -9.270 -4.001 1.00 0.00 C ATOM 1332 OH TYR A 114 -12.078 -10.368 -4.382 1.00 0.00 O ATOM 0 H TYR A 114 -8.337 -5.403 0.017 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.458 -7.152 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.694 -5.131 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.641 -5.359 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -11.049 -7.086 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -8.837 -7.310 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -12.368 -9.042 -2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -10.154 -9.267 -5.778 1.00 0.00 H new ATOM 0 HH TYR A 114 -11.775 -10.677 -5.261 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.182 -3.865 -1.959 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.235 -2.761 -2.066 1.00 0.00 C ATOM 1343 C ASP A 115 -6.545 -1.678 -1.036 1.00 0.00 C ATOM 1344 O ASP A 115 -7.441 -1.833 -0.206 1.00 0.00 O ATOM 1345 CB ASP A 115 -6.270 -2.167 -3.475 1.00 0.00 C ATOM 1346 CG ASP A 115 -5.682 -3.102 -4.513 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -4.534 -3.559 -4.318 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -6.367 -3.379 -5.519 1.00 0.00 O ATOM 0 H ASP A 115 -8.155 -3.578 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.236 -3.150 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.301 -1.934 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.719 -1.227 -3.483 1.00 0.00 H new ATOM 1352 N THR A 116 -5.797 -0.581 -1.096 1.00 0.00 N ATOM 1353 CA THR A 116 -5.989 0.527 -0.167 1.00 0.00 C ATOM 1354 C THR A 116 -5.337 1.801 -0.689 1.00 0.00 C ATOM 1355 O THR A 116 -4.256 1.760 -1.280 1.00 0.00 O ATOM 1356 CB THR A 116 -5.413 0.201 1.223 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.668 1.283 2.125 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.916 -0.056 1.142 1.00 0.00 C ATOM 0 H THR A 116 -5.053 -0.436 -1.778 1.00 0.00 H new ATOM 0 HA THR A 116 -7.064 0.683 -0.079 1.00 0.00 H new ATOM 0 HB THR A 116 -5.901 -0.701 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.878 1.436 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.532 -0.284 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.727 -0.899 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.415 0.831 0.754 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.997 2.932 -0.470 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.482 4.219 -0.920 1.00 0.00 C ATOM 1368 C TYR A 117 -5.054 5.080 0.266 1.00 0.00 C ATOM 1369 O TYR A 117 -5.837 5.330 1.182 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.540 4.957 -1.743 1.00 0.00 C ATOM 1371 CG TYR A 117 -7.133 4.120 -2.854 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.320 3.387 -3.710 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.508 4.062 -3.047 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.858 2.623 -4.727 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -9.055 3.299 -4.061 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.226 2.581 -4.898 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.765 1.821 -5.909 1.00 0.00 O ATOM 0 H TYR A 117 -6.892 2.984 0.017 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.609 4.033 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.340 5.286 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -6.094 5.854 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.249 3.415 -3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.160 4.623 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.211 2.062 -5.385 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.126 3.265 -4.198 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.068 0.962 -5.547 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.803 5.529 0.241 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.269 6.361 1.311 1.00 0.00 C ATOM 1388 C CYS A 118 -2.971 7.771 0.807 1.00 0.00 C ATOM 1389 O CYS A 118 -2.611 7.963 -0.354 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.996 5.734 1.886 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.177 3.983 2.356 1.00 0.00 S ATOM 0 H CYS A 118 -3.141 5.330 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.022 6.426 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.197 5.821 1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.686 6.304 2.762 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.124 8.753 1.690 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.873 10.145 1.335 1.00 0.00 C ATOM 1397 C PHE A 119 -1.646 10.680 2.069 1.00 0.00 C ATOM 1398 O PHE A 119 -1.464 10.429 3.259 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.094 11.005 1.665 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.840 12.480 1.538 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.835 13.091 0.295 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -3.607 13.256 2.662 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.599 14.447 0.174 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.373 14.614 2.550 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.370 15.210 1.304 1.00 0.00 C ATOM 0 H PHE A 119 -3.420 8.610 2.656 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.683 10.193 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.914 10.727 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.418 10.786 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.018 12.500 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.608 12.794 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.593 14.910 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.193 15.207 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.189 16.271 1.213 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.809 11.417 1.348 1.00 0.00 N ATOM 1415 CA ASN A 120 0.401 11.987 1.928 1.00 0.00 C ATOM 1416 C ASN A 120 0.237 13.485 2.166 1.00 0.00 C ATOM 1417 O ASN A 120 -0.671 14.114 1.624 1.00 0.00 O ATOM 1418 CB ASN A 120 1.601 11.734 1.012 1.00 0.00 C ATOM 1419 CG ASN A 120 2.923 11.834 1.749 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.955 11.982 2.971 1.00 0.00 O ATOM 1421 ND2 ASN A 120 4.021 11.753 1.006 1.00 0.00 N ATOM 0 H ASN A 120 -0.946 11.634 0.361 1.00 0.00 H new ATOM 0 HA ASN A 120 0.576 11.501 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.511 10.744 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.589 12.455 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.940 11.813 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.946 11.630 -0.004 1.00 0.00 H new ATOM 1427 N ALA A 121 1.123 14.050 2.979 1.00 0.00 N ATOM 1428 CA ALA A 121 1.079 15.475 3.287 1.00 0.00 C ATOM 1429 C ALA A 121 2.416 16.143 2.988 1.00 0.00 C ATOM 1430 O ALA A 121 2.766 17.155 3.596 1.00 0.00 O ATOM 1431 CB ALA A 121 0.693 15.689 4.743 1.00 0.00 C ATOM 0 H ALA A 121 1.881 13.543 3.437 1.00 0.00 H new ATOM 0 HA ALA A 121 0.323 15.935 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.664 16.757 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.290 15.255 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.428 15.208 5.389 1.00 0.00 H new ATOM 1437 N SER A 122 3.162 15.569 2.049 1.00 0.00 N ATOM 1438 CA SER A 122 4.465 16.108 1.673 1.00 0.00 C ATOM 1439 C SER A 122 4.494 16.478 0.193 1.00 0.00 C ATOM 1440 O SER A 122 4.634 17.647 -0.163 1.00 0.00 O ATOM 1441 CB SER A 122 5.568 15.091 1.978 1.00 0.00 C ATOM 1442 OG SER A 122 6.852 15.651 1.761 1.00 0.00 O ATOM 0 H SER A 122 2.887 14.732 1.535 1.00 0.00 H new ATOM 0 HA SER A 122 4.640 17.011 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.483 14.757 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.440 14.211 1.348 1.00 0.00 H new ATOM 0 HG SER A 122 7.462 15.355 2.469 1.00 0.00 H new ATOM 1447 N ALA A 123 4.358 15.471 -0.664 1.00 0.00 N ATOM 1448 CA ALA A 123 4.367 15.690 -2.105 1.00 0.00 C ATOM 1449 C ALA A 123 3.378 16.781 -2.501 1.00 0.00 C ATOM 1450 O ALA A 123 2.457 17.117 -1.757 1.00 0.00 O ATOM 1451 CB ALA A 123 4.046 14.396 -2.837 1.00 0.00 C ATOM 0 H ALA A 123 4.240 14.497 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 123 5.366 16.019 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.056 14.574 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.792 13.642 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.059 14.043 -2.537 1.00 0.00 H new ATOM 1457 N PRO A 124 3.572 17.351 -3.700 1.00 0.00 N ATOM 1458 CA PRO A 124 2.707 18.413 -4.220 1.00 0.00 C ATOM 1459 C PRO A 124 1.314 17.904 -4.578 1.00 0.00 C ATOM 1460 O PRO A 124 1.064 16.700 -4.639 1.00 0.00 O ATOM 1461 CB PRO A 124 3.442 18.886 -5.478 1.00 0.00 C ATOM 1462 CG PRO A 124 4.255 17.712 -5.905 1.00 0.00 C ATOM 1463 CD PRO A 124 4.650 17.000 -4.640 1.00 0.00 C ATOM 0 HA PRO A 124 2.542 19.200 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.741 19.187 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.073 19.749 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.680 17.056 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.135 18.029 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.718 15.922 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.623 17.333 -4.278 1.00 0.00 H new ATOM 1468 N PRO A 125 0.385 18.841 -4.820 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.998 18.511 -5.176 1.00 0.00 C ATOM 1470 C PRO A 125 -1.108 17.903 -6.571 1.00 0.00 C ATOM 1471 O PRO A 125 -2.174 17.435 -6.971 1.00 0.00 O ATOM 1472 CB PRO A 125 -1.711 19.864 -5.127 1.00 0.00 C ATOM 1473 CG PRO A 125 -0.637 20.867 -5.376 1.00 0.00 C ATOM 1474 CD PRO A 125 0.612 20.295 -4.765 1.00 0.00 C ATOM 0 HA PRO A 125 -1.424 17.765 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.494 19.927 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.187 20.026 -4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.505 21.041 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.888 21.827 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 125 1.502 20.584 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.753 20.641 -3.741 1.00 0.00 H new ATOM 1479 N GLU A 126 0.001 17.909 -7.304 1.00 0.00 N ATOM 1480 CA GLU A 126 0.027 17.358 -8.652 1.00 0.00 C ATOM 1481 C GLU A 126 0.563 15.930 -8.646 1.00 0.00 C ATOM 1482 O GLU A 126 0.972 15.414 -7.606 1.00 0.00 O ATOM 1483 CB GLU A 126 0.885 18.233 -9.569 1.00 0.00 C ATOM 1484 CG GLU A 126 0.304 19.616 -9.810 1.00 0.00 C ATOM 1485 CD GLU A 126 1.138 20.439 -10.771 1.00 0.00 C ATOM 1486 OE1 GLU A 126 2.223 19.967 -11.171 1.00 0.00 O ATOM 1487 OE2 GLU A 126 0.705 21.557 -11.125 1.00 0.00 O ATOM 0 H GLU A 126 0.892 18.289 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.995 17.342 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.878 18.337 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.009 17.728 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.707 19.517 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.225 20.144 -8.859 1.00 0.00 H new ATOM 1492 N GLU A 127 0.559 15.295 -9.815 1.00 0.00 N ATOM 1493 CA GLU A 127 1.043 13.927 -9.943 1.00 0.00 C ATOM 1494 C GLU A 127 2.534 13.846 -9.630 1.00 0.00 C ATOM 1495 O GLU A 127 3.376 14.035 -10.509 1.00 0.00 O ATOM 1496 CB GLU A 127 0.778 13.398 -11.354 1.00 0.00 C ATOM 1497 CG GLU A 127 1.261 14.330 -12.453 1.00 0.00 C ATOM 1498 CD GLU A 127 0.119 14.955 -13.232 1.00 0.00 C ATOM 1499 OE1 GLU A 127 -0.494 14.249 -14.058 1.00 0.00 O ATOM 1500 OE2 GLU A 127 -0.161 16.152 -13.011 1.00 0.00 O ATOM 0 H GLU A 127 0.226 15.707 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 127 0.504 13.310 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.267 12.431 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.292 13.230 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.871 15.119 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.903 13.776 -13.138 1.00 0.00 H new ATOM 1505 N ASP A 128 2.854 13.565 -8.371 1.00 0.00 N ATOM 1506 CA ASP A 128 4.244 13.460 -7.940 1.00 0.00 C ATOM 1507 C ASP A 128 4.719 12.010 -7.991 1.00 0.00 C ATOM 1508 O ASP A 128 4.276 11.173 -7.204 1.00 0.00 O ATOM 1509 CB ASP A 128 4.404 14.012 -6.523 1.00 0.00 C ATOM 1510 CG ASP A 128 5.853 14.059 -6.081 1.00 0.00 C ATOM 1511 OD1 ASP A 128 6.638 14.808 -6.698 1.00 0.00 O ATOM 1512 OD2 ASP A 128 6.203 13.344 -5.117 1.00 0.00 O ATOM 0 H ASP A 128 2.170 13.406 -7.631 1.00 0.00 H new ATOM 0 HA ASP A 128 4.857 14.050 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.980 15.015 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.835 13.394 -5.829 1.00 0.00 H new ATOM 1516 N CYS A 129 5.622 11.722 -8.922 1.00 0.00 N ATOM 1517 CA CYS A 129 6.156 10.374 -9.077 1.00 0.00 C ATOM 1518 C CYS A 129 7.291 10.122 -8.088 1.00 0.00 C ATOM 1519 O CYS A 129 7.197 9.244 -7.229 1.00 0.00 O ATOM 1520 CB CYS A 129 6.656 10.163 -10.507 1.00 0.00 C ATOM 1521 SG CYS A 129 5.473 9.292 -11.588 1.00 0.00 S ATOM 0 H CYS A 129 5.999 12.404 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 129 5.353 9.666 -8.871 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.887 11.133 -10.947 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.587 9.597 -10.475 1.00 0.00 H new ATOM 1525 N THR A 130 8.363 10.897 -8.215 1.00 0.00 N ATOM 1526 CA THR A 130 9.516 10.758 -7.335 1.00 0.00 C ATOM 1527 C THR A 130 9.130 11.010 -5.882 1.00 0.00 C ATOM 1528 O THR A 130 8.109 11.634 -5.599 1.00 0.00 O ATOM 1529 CB THR A 130 10.645 11.728 -7.730 1.00 0.00 C ATOM 1530 OG1 THR A 130 10.158 13.074 -7.728 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.196 11.386 -9.106 1.00 0.00 C ATOM 0 H THR A 130 8.457 11.628 -8.920 1.00 0.00 H new ATOM 0 HA THR A 130 9.874 9.734 -7.442 1.00 0.00 H new ATOM 0 HB THR A 130 11.448 11.631 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.883 13.684 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.992 12.085 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 130 11.593 10.371 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.398 11.457 -9.845 1.00 0.00 H new ATOM 1539 N SER A 131 9.956 10.520 -4.963 1.00 0.00 N ATOM 1540 CA SER A 131 9.700 10.689 -3.537 1.00 0.00 C ATOM 1541 C SER A 131 11.006 10.703 -2.748 1.00 0.00 C ATOM 1542 O SER A 131 11.951 9.986 -3.077 1.00 0.00 O ATOM 1543 CB SER A 131 8.794 9.569 -3.023 1.00 0.00 C ATOM 1544 OG SER A 131 8.611 9.663 -1.622 1.00 0.00 O ATOM 0 H SER A 131 10.808 10.003 -5.180 1.00 0.00 H new ATOM 0 HA SER A 131 9.199 11.646 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.827 9.621 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.230 8.601 -3.272 1.00 0.00 H new ATOM 0 HG SER A 131 8.027 8.937 -1.319 1.00 0.00 H new ATOM 1549 N VAL A 132 11.051 11.524 -1.703 1.00 0.00 N ATOM 1550 CA VAL A 132 12.240 11.632 -0.866 1.00 0.00 C ATOM 1551 C VAL A 132 11.872 11.612 0.613 1.00 0.00 C ATOM 1552 O VAL A 132 12.643 12.064 1.461 1.00 0.00 O ATOM 1553 CB VAL A 132 13.027 12.919 -1.172 1.00 0.00 C ATOM 1554 CG1 VAL A 132 13.651 12.848 -2.558 1.00 0.00 C ATOM 1555 CG2 VAL A 132 12.124 14.138 -1.048 1.00 0.00 C ATOM 0 H VAL A 132 10.278 12.124 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 132 12.868 10.770 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 132 13.831 13.014 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 132 14.203 13.767 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 132 14.331 11.998 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 132 12.866 12.728 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 132 12.697 15.039 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 132 11.298 14.052 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.730 14.197 -0.034 1.00 0.00 H new ATOM 1565 N THR A 133 10.691 11.084 0.917 1.00 0.00 N ATOM 1566 CA THR A 133 10.220 11.006 2.296 1.00 0.00 C ATOM 1567 C THR A 133 10.274 9.575 2.814 1.00 0.00 C ATOM 1568 O THR A 133 10.697 8.662 2.103 1.00 0.00 O ATOM 1569 CB THR A 133 8.780 11.536 2.428 1.00 0.00 C ATOM 1570 OG1 THR A 133 7.858 10.588 1.879 1.00 0.00 O ATOM 1571 CG2 THR A 133 8.627 12.872 1.716 1.00 0.00 C ATOM 0 H THR A 133 10.042 10.704 0.228 1.00 0.00 H new ATOM 0 HA THR A 133 10.884 11.630 2.894 1.00 0.00 H new ATOM 0 HB THR A 133 8.565 11.681 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 133 6.944 10.931 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 133 7.602 13.226 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 133 9.310 13.599 2.156 1.00 0.00 H new ATOM 0 HG23 THR A 133 8.860 12.749 0.658 1.00 0.00 H new ATOM 1579 N ASP A 134 9.842 9.384 4.056 1.00 0.00 N ATOM 1580 CA ASP A 134 9.838 8.060 4.669 1.00 0.00 C ATOM 1581 C ASP A 134 8.823 7.991 5.806 1.00 0.00 C ATOM 1582 O ASP A 134 8.073 8.938 6.040 1.00 0.00 O ATOM 1583 CB ASP A 134 11.233 7.714 5.191 1.00 0.00 C ATOM 1584 CG ASP A 134 11.602 6.265 4.944 1.00 0.00 C ATOM 1585 OD1 ASP A 134 10.692 5.466 4.640 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.799 5.929 5.056 1.00 0.00 O ATOM 0 H ASP A 134 9.490 10.129 4.658 1.00 0.00 H new ATOM 0 HA ASP A 134 9.553 7.334 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.968 8.360 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.279 7.920 6.260 1.00 0.00 H new ATOM 1590 N LEU A 135 8.806 6.864 6.508 1.00 0.00 N ATOM 1591 CA LEU A 135 7.883 6.670 7.621 1.00 0.00 C ATOM 1592 C LEU A 135 8.048 7.771 8.664 1.00 0.00 C ATOM 1593 O LEU A 135 9.114 8.370 8.808 1.00 0.00 O ATOM 1594 CB LEU A 135 8.112 5.302 8.266 1.00 0.00 C ATOM 1595 CG LEU A 135 8.304 4.129 7.305 1.00 0.00 C ATOM 1596 CD1 LEU A 135 9.781 3.802 7.150 1.00 0.00 C ATOM 1597 CD2 LEU A 135 7.536 2.909 7.790 1.00 0.00 C ATOM 0 H LEU A 135 9.421 6.070 6.327 1.00 0.00 H new ATOM 0 HA LEU A 135 6.866 6.715 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.991 5.368 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.262 5.081 8.912 1.00 0.00 H new ATOM 0 HG LEU A 135 7.911 4.417 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 135 9.898 2.964 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.307 4.672 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 135 10.198 3.535 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.685 2.084 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.898 2.620 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.474 3.147 7.848 1.00 0.00 H new ATOM 1608 N PRO A 136 6.968 8.045 9.411 1.00 0.00 N ATOM 1609 CA PRO A 136 6.968 9.073 10.456 1.00 0.00 C ATOM 1610 C PRO A 136 7.821 8.679 11.657 1.00 0.00 C ATOM 1611 O PRO A 136 8.176 9.520 12.480 1.00 0.00 O ATOM 1612 CB PRO A 136 5.494 9.174 10.855 1.00 0.00 C ATOM 1613 CG PRO A 136 4.918 7.843 10.510 1.00 0.00 C ATOM 1614 CD PRO A 136 5.663 7.370 9.293 1.00 0.00 C ATOM 0 HA PRO A 136 7.393 10.013 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 136 5.385 9.389 11.918 1.00 0.00 H new ATOM 0 HB3 PRO A 136 4.991 9.976 10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.035 7.142 11.336 1.00 0.00 H new ATOM 0 HG3 PRO A 136 3.850 7.921 10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.771 6.285 9.283 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.148 7.647 8.373 1.00 0.00 H new ATOM 1708 N THR A 144 8.564 -5.035 4.509 1.00 0.00 N ATOM 1709 CA THR A 144 9.245 -3.955 3.806 1.00 0.00 C ATOM 1710 C THR A 144 8.375 -3.393 2.689 1.00 0.00 C ATOM 1711 O THR A 144 7.371 -3.995 2.309 1.00 0.00 O ATOM 1712 CB THR A 144 10.585 -4.427 3.211 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.093 -5.534 3.966 1.00 0.00 O ATOM 1714 CG2 THR A 144 11.604 -3.298 3.209 1.00 0.00 C ATOM 0 HA THR A 144 9.439 -3.173 4.540 1.00 0.00 H new ATOM 0 HB THR A 144 10.410 -4.739 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 144 10.429 -5.807 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.542 -3.655 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.227 -2.469 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 144 11.774 -2.960 4.231 1.00 0.00 H new ATOM 1722 N ILE A 145 8.768 -2.237 2.164 1.00 0.00 N ATOM 1723 CA ILE A 145 8.024 -1.596 1.087 1.00 0.00 C ATOM 1724 C ILE A 145 8.910 -1.363 -0.132 1.00 0.00 C ATOM 1725 O ILE A 145 10.132 -1.508 -0.062 1.00 0.00 O ATOM 1726 CB ILE A 145 7.430 -0.248 1.539 1.00 0.00 C ATOM 1727 CG1 ILE A 145 8.497 0.596 2.240 1.00 0.00 C ATOM 1728 CG2 ILE A 145 6.238 -0.476 2.457 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.369 2.078 1.969 1.00 0.00 C ATOM 0 H ILE A 145 9.597 -1.726 2.467 1.00 0.00 H new ATOM 0 HA ILE A 145 7.212 -2.272 0.819 1.00 0.00 H new ATOM 0 HB ILE A 145 7.087 0.295 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.436 0.425 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.483 0.260 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 145 5.829 0.485 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.472 -1.041 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.558 -1.036 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.157 2.614 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.460 2.261 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.397 2.429 2.316 1.00 0.00 H new ATOM 1740 N THR A 146 8.289 -1.002 -1.249 1.00 0.00 N ATOM 1741 CA THR A 146 9.020 -0.750 -2.484 1.00 0.00 C ATOM 1742 C THR A 146 8.343 0.335 -3.314 1.00 0.00 C ATOM 1743 O THR A 146 7.478 0.047 -4.142 1.00 0.00 O ATOM 1744 CB THR A 146 9.144 -2.028 -3.336 1.00 0.00 C ATOM 1745 OG1 THR A 146 9.857 -3.035 -2.607 1.00 0.00 O ATOM 1746 CG2 THR A 146 9.862 -1.739 -4.645 1.00 0.00 C ATOM 0 H THR A 146 7.279 -0.877 -1.324 1.00 0.00 H new ATOM 0 HA THR A 146 10.017 -0.415 -2.196 1.00 0.00 H new ATOM 0 HB THR A 146 8.140 -2.386 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 146 9.309 -3.845 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 146 9.937 -2.656 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 146 9.302 -0.994 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.862 -1.359 -4.435 1.00 0.00 H new ATOM 1754 N ILE A 147 8.742 1.583 -3.087 1.00 0.00 N ATOM 1755 CA ILE A 147 8.173 2.710 -3.815 1.00 0.00 C ATOM 1756 C ILE A 147 9.035 3.079 -5.017 1.00 0.00 C ATOM 1757 O ILE A 147 10.250 3.235 -4.899 1.00 0.00 O ATOM 1758 CB ILE A 147 8.021 3.946 -2.908 1.00 0.00 C ATOM 1759 CG1 ILE A 147 7.340 5.084 -3.673 1.00 0.00 C ATOM 1760 CG2 ILE A 147 9.378 4.389 -2.383 1.00 0.00 C ATOM 1761 CD1 ILE A 147 7.112 6.322 -2.835 1.00 0.00 C ATOM 0 H ILE A 147 9.456 1.838 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 147 7.187 2.398 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 147 7.395 3.680 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 147 7.951 5.347 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 147 6.382 4.732 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 147 9.253 5.263 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 147 9.827 3.580 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.027 4.642 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 147 6.626 7.087 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 147 6.476 6.074 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 147 8.069 6.699 -2.474 1.00 0.00 H new ATOM 1772 N VAL A 148 8.398 3.218 -6.176 1.00 0.00 N ATOM 1773 CA VAL A 148 9.106 3.572 -7.401 1.00 0.00 C ATOM 1774 C VAL A 148 9.040 5.073 -7.659 1.00 0.00 C ATOM 1775 O VAL A 148 8.104 5.746 -7.230 1.00 0.00 O ATOM 1776 CB VAL A 148 8.527 2.827 -8.617 1.00 0.00 C ATOM 1777 CG1 VAL A 148 8.872 1.347 -8.551 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.022 3.028 -8.700 1.00 0.00 C ATOM 0 H VAL A 148 7.393 3.091 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 148 10.146 3.276 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 148 8.975 3.241 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 148 8.454 0.837 -9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 148 9.955 1.226 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 148 8.454 0.916 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.631 2.494 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.553 2.644 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.802 4.091 -8.799 1.00 0.00 H new