USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0527) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -0.0932 F(o=-1,f=-0.093) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -0.277 K(o=0.88,f=-4.8!) USER MOD Set 2.2: A 51 SER OG : rot 165:sc= 1.15 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.188 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 12 GLN : amide:sc= 0.0347 X(o=0.035,f=-0.27) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0672 (180deg=-0.425) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.147) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.82) USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-6.8!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.0088) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 49 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.6!) USER MOD Single : A 55 HIS : no HD1:sc= -0.791 X(o=-0.79,f=-1.2) USER MOD Single : A 57 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.39) USER MOD Single : A 58 ASN : amide:sc= 1.26 K(o=1.3,f=-2.9!) USER MOD Single : A 60 SER OG : rot -120:sc= 0.642 USER MOD Single : A 62 SER OG : rot 87:sc= 1.72 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00361 F(o=-0.88,f=-0.0036) USER MOD Single : A 67 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.029) USER MOD Single : A 68 GLN : amide:sc= -4.36! C(o=-4.4!,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.663) USER MOD Single : A 73 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 75 THR OG1 : rot 1:sc= 0.935 USER MOD Single : A 83 MET CE :methyl -116:sc= 0 (180deg=-0.0351) USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 0.41 (180deg=0.249) USER MOD Single : A 87 MET CE :methyl 158:sc= -0.233 (180deg=-0.927) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.405 -13.848 4.886 1.00 0.00 N ATOM 2 CA PHE A 1 11.108 -12.558 4.703 1.00 0.00 C ATOM 3 C PHE A 1 10.134 -11.495 4.222 1.00 0.00 C ATOM 4 O PHE A 1 9.637 -11.547 3.094 1.00 0.00 O ATOM 5 CB PHE A 1 12.247 -12.724 3.690 1.00 0.00 C ATOM 6 CG PHE A 1 13.112 -11.505 3.524 1.00 0.00 C ATOM 7 CD1 PHE A 1 14.169 -11.267 4.387 1.00 0.00 C ATOM 8 CD2 PHE A 1 12.872 -10.603 2.501 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.970 -10.150 4.234 1.00 0.00 C ATOM 10 CE2 PHE A 1 13.669 -9.485 2.341 1.00 0.00 C ATOM 11 CZ PHE A 1 14.720 -9.257 3.209 1.00 0.00 C ATOM 0 H1 PHE A 1 11.080 -14.568 5.215 1.00 0.00 H new ATOM 0 H2 PHE A 1 9.649 -13.734 5.591 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.991 -14.149 3.981 1.00 0.00 H new ATOM 0 HA PHE A 1 11.526 -12.244 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 1 12.874 -13.560 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 1 11.821 -12.987 2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 1 14.370 -11.962 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 1 12.052 -10.775 1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.790 -9.976 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 1 13.471 -8.790 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 1 15.344 -8.384 3.087 1.00 0.00 H new ATOM 23 N LEU A 2 9.864 -10.536 5.087 1.00 0.00 N ATOM 24 CA LEU A 2 8.965 -9.444 4.768 1.00 0.00 C ATOM 25 C LEU A 2 9.503 -8.161 5.372 1.00 0.00 C ATOM 26 O LEU A 2 10.117 -8.181 6.437 1.00 0.00 O ATOM 27 CB LEU A 2 7.545 -9.704 5.296 1.00 0.00 C ATOM 28 CG LEU A 2 7.352 -9.530 6.809 1.00 0.00 C ATOM 29 CD1 LEU A 2 5.877 -9.388 7.141 1.00 0.00 C ATOM 30 CD2 LEU A 2 7.947 -10.704 7.572 1.00 0.00 C ATOM 0 H LEU A 2 10.260 -10.492 6.026 1.00 0.00 H new ATOM 0 HA LEU A 2 8.908 -9.358 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.858 -9.032 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.258 -10.721 5.027 1.00 0.00 H new ATOM 0 HG LEU A 2 7.873 -8.622 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.756 -9.265 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.471 -8.516 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.343 -10.281 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.797 -10.556 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.457 -11.626 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.014 -10.772 7.361 1.00 0.00 H new ATOM 42 N LEU A 3 9.307 -7.059 4.673 1.00 0.00 N ATOM 43 CA LEU A 3 9.712 -5.763 5.175 1.00 0.00 C ATOM 44 C LEU A 3 8.932 -5.411 6.437 1.00 0.00 C ATOM 45 O LEU A 3 7.699 -5.347 6.420 1.00 0.00 O ATOM 46 CB LEU A 3 9.513 -4.695 4.100 1.00 0.00 C ATOM 47 CG LEU A 3 10.544 -4.698 2.964 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.941 -4.454 3.517 1.00 0.00 C ATOM 49 CD2 LEU A 3 10.500 -5.995 2.162 1.00 0.00 C ATOM 0 H LEU A 3 8.868 -7.037 3.753 1.00 0.00 H new ATOM 0 HA LEU A 3 10.771 -5.803 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.521 -4.822 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.529 -3.716 4.579 1.00 0.00 H new ATOM 0 HG LEU A 3 10.288 -3.887 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.662 -4.459 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.969 -3.487 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.193 -5.241 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.245 -5.957 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.714 -6.837 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.509 -6.119 1.725 1.00 0.00 H new ATOM 61 N PRO A 4 9.653 -5.225 7.554 1.00 0.00 N ATOM 62 CA PRO A 4 9.059 -4.851 8.839 1.00 0.00 C ATOM 63 C PRO A 4 8.161 -3.625 8.722 1.00 0.00 C ATOM 64 O PRO A 4 8.457 -2.700 7.960 1.00 0.00 O ATOM 65 CB PRO A 4 10.270 -4.543 9.720 1.00 0.00 C ATOM 66 CG PRO A 4 11.387 -5.320 9.120 1.00 0.00 C ATOM 67 CD PRO A 4 11.113 -5.389 7.645 1.00 0.00 C ATOM 0 HA PRO A 4 8.420 -5.639 9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.491 -3.476 9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.092 -4.840 10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.344 -4.837 9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.441 -6.319 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.639 -4.603 7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.436 -6.340 7.222 1.00 0.00 H new ATOM 75 N PRO A 5 7.051 -3.607 9.478 1.00 0.00 N ATOM 76 CA PRO A 5 6.067 -2.519 9.429 1.00 0.00 C ATOM 77 C PRO A 5 6.703 -1.139 9.592 1.00 0.00 C ATOM 78 O PRO A 5 7.277 -0.830 10.640 1.00 0.00 O ATOM 79 CB PRO A 5 5.140 -2.830 10.607 1.00 0.00 C ATOM 80 CG PRO A 5 5.249 -4.304 10.789 1.00 0.00 C ATOM 81 CD PRO A 5 6.668 -4.653 10.446 1.00 0.00 C ATOM 0 HA PRO A 5 5.558 -2.475 8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.447 -2.295 11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.114 -2.531 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.012 -4.590 11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.549 -4.831 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.310 -4.640 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.743 -5.650 10.012 1.00 0.00 H new ATOM 89 N SER A 6 6.626 -0.341 8.525 1.00 0.00 N ATOM 90 CA SER A 6 7.123 1.032 8.515 1.00 0.00 C ATOM 91 C SER A 6 8.646 1.090 8.659 1.00 0.00 C ATOM 92 O SER A 6 9.216 2.124 9.012 1.00 0.00 O ATOM 93 CB SER A 6 6.424 1.842 9.603 1.00 0.00 C ATOM 94 OG SER A 6 5.016 1.753 9.441 1.00 0.00 O ATOM 0 H SER A 6 6.214 -0.633 7.639 1.00 0.00 H new ATOM 0 HA SER A 6 6.889 1.474 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.710 1.470 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.740 2.884 9.553 1.00 0.00 H new ATOM 0 HG SER A 6 4.572 2.273 10.143 1.00 0.00 H new ATOM 100 N THR A 7 9.297 -0.025 8.369 1.00 0.00 N ATOM 101 CA THR A 7 10.744 -0.070 8.272 1.00 0.00 C ATOM 102 C THR A 7 11.109 -0.286 6.806 1.00 0.00 C ATOM 103 O THR A 7 12.078 -0.960 6.461 1.00 0.00 O ATOM 104 CB THR A 7 11.326 -1.200 9.143 1.00 0.00 C ATOM 105 OG1 THR A 7 10.676 -1.201 10.420 1.00 0.00 O ATOM 106 CG2 THR A 7 12.825 -1.022 9.349 1.00 0.00 C ATOM 0 H THR A 7 8.838 -0.919 8.195 1.00 0.00 H new ATOM 0 HA THR A 7 11.166 0.866 8.637 1.00 0.00 H new ATOM 0 HB THR A 7 11.156 -2.146 8.629 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.148 -1.809 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.206 -1.835 9.967 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.329 -1.034 8.383 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.014 -0.070 9.845 1.00 0.00 H new ATOM 114 N ALA A 8 10.300 0.321 5.954 1.00 0.00 N ATOM 115 CA ALA A 8 10.399 0.136 4.525 1.00 0.00 C ATOM 116 C ALA A 8 11.492 1.006 3.931 1.00 0.00 C ATOM 117 O ALA A 8 11.491 2.227 4.079 1.00 0.00 O ATOM 118 CB ALA A 8 9.062 0.437 3.870 1.00 0.00 C ATOM 0 H ALA A 8 9.555 0.957 6.240 1.00 0.00 H new ATOM 0 HA ALA A 8 10.663 -0.904 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.145 0.295 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.302 -0.236 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.778 1.468 4.080 1.00 0.00 H new ATOM 124 N CYS A 9 12.434 0.353 3.285 1.00 0.00 N ATOM 125 CA CYS A 9 13.496 1.028 2.567 1.00 0.00 C ATOM 126 C CYS A 9 13.888 0.150 1.388 1.00 0.00 C ATOM 127 O CYS A 9 15.065 -0.071 1.102 1.00 0.00 O ATOM 128 CB CYS A 9 14.675 1.295 3.512 1.00 0.00 C ATOM 129 SG CYS A 9 16.012 2.350 2.833 1.00 0.00 S ATOM 0 H CYS A 9 12.486 -0.665 3.242 1.00 0.00 H new ATOM 0 HA CYS A 9 13.169 1.998 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.292 1.764 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.106 0.338 3.806 1.00 0.00 H new ATOM 134 N CYS A 10 12.858 -0.349 0.707 1.00 0.00 N ATOM 135 CA CYS A 10 13.023 -1.273 -0.401 1.00 0.00 C ATOM 136 C CYS A 10 13.803 -0.652 -1.548 1.00 0.00 C ATOM 137 O CYS A 10 13.396 0.361 -2.116 1.00 0.00 O ATOM 138 CB CYS A 10 11.655 -1.746 -0.905 1.00 0.00 C ATOM 139 SG CYS A 10 10.925 -3.087 0.089 1.00 0.00 S ATOM 0 H CYS A 10 11.886 -0.120 0.913 1.00 0.00 H new ATOM 0 HA CYS A 10 13.593 -2.125 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.969 -0.899 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.756 -2.085 -1.936 1.00 0.00 H new ATOM 144 N THR A 11 14.940 -1.256 -1.857 1.00 0.00 N ATOM 145 CA THR A 11 15.689 -0.903 -3.041 1.00 0.00 C ATOM 146 C THR A 11 15.068 -1.582 -4.255 1.00 0.00 C ATOM 147 O THR A 11 14.888 -0.968 -5.308 1.00 0.00 O ATOM 148 CB THR A 11 17.164 -1.318 -2.901 1.00 0.00 C ATOM 149 OG1 THR A 11 17.243 -2.670 -2.429 1.00 0.00 O ATOM 150 CG2 THR A 11 17.901 -0.398 -1.940 1.00 0.00 C ATOM 0 H THR A 11 15.362 -1.997 -1.297 1.00 0.00 H new ATOM 0 HA THR A 11 15.652 0.179 -3.169 1.00 0.00 H new ATOM 0 HB THR A 11 17.636 -1.241 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.183 -2.932 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.941 -0.714 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.860 0.625 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.430 -0.445 -0.958 1.00 0.00 H new ATOM 158 N GLN A 12 14.735 -2.858 -4.090 1.00 0.00 N ATOM 159 CA GLN A 12 13.984 -3.589 -5.098 1.00 0.00 C ATOM 160 C GLN A 12 12.498 -3.247 -5.004 1.00 0.00 C ATOM 161 O GLN A 12 12.012 -2.843 -3.949 1.00 0.00 O ATOM 162 CB GLN A 12 14.221 -5.112 -4.989 1.00 0.00 C ATOM 163 CG GLN A 12 14.298 -5.682 -3.567 1.00 0.00 C ATOM 164 CD GLN A 12 12.994 -5.592 -2.795 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.150 -6.483 -2.877 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.842 -4.538 -2.010 1.00 0.00 N ATOM 0 H GLN A 12 14.975 -3.406 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 12 14.344 -3.281 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.418 -5.623 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.150 -5.353 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.605 -6.726 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.073 -5.150 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.567 -3.822 -1.972 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.000 -4.442 -1.443 1.00 0.00 H new ATOM 175 N LEU A 13 11.792 -3.381 -6.114 1.00 0.00 N ATOM 176 CA LEU A 13 10.372 -3.065 -6.163 1.00 0.00 C ATOM 177 C LEU A 13 9.643 -4.055 -7.062 1.00 0.00 C ATOM 178 O LEU A 13 10.179 -4.487 -8.082 1.00 0.00 O ATOM 179 CB LEU A 13 10.155 -1.632 -6.674 1.00 0.00 C ATOM 180 CG LEU A 13 10.682 -0.524 -5.756 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.619 0.825 -6.450 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.888 -0.484 -4.458 1.00 0.00 C ATOM 0 H LEU A 13 12.180 -3.708 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 13 9.968 -3.139 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.635 -1.534 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.087 -1.476 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 13 11.724 -0.744 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.998 1.597 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.228 0.798 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.586 1.050 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.276 0.309 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.838 -0.291 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.980 -1.442 -3.945 1.00 0.00 H new ATOM 194 N TYR A 14 8.428 -4.414 -6.671 1.00 0.00 N ATOM 195 CA TYR A 14 7.623 -5.354 -7.434 1.00 0.00 C ATOM 196 C TYR A 14 7.105 -4.678 -8.704 1.00 0.00 C ATOM 197 O TYR A 14 7.328 -5.166 -9.814 1.00 0.00 O ATOM 198 CB TYR A 14 6.462 -5.859 -6.571 1.00 0.00 C ATOM 199 CG TYR A 14 5.704 -7.021 -7.171 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.248 -8.298 -7.188 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.443 -6.841 -7.715 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.556 -9.362 -7.733 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.745 -7.899 -8.261 1.00 0.00 C ATOM 204 CZ TYR A 14 4.303 -9.155 -8.268 1.00 0.00 C ATOM 205 OH TYR A 14 3.612 -10.204 -8.822 1.00 0.00 O ATOM 0 H TYR A 14 7.977 -4.065 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 14 8.234 -6.209 -7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.851 -6.157 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.768 -5.037 -6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.229 -8.462 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.999 -5.857 -7.712 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.994 -10.349 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.763 -7.740 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 14 2.745 -9.887 -9.152 1.00 0.00 H new ATOM 215 N ARG A 15 6.401 -3.560 -8.515 1.00 0.00 N ATOM 216 CA ARG A 15 5.965 -2.683 -9.611 1.00 0.00 C ATOM 217 C ARG A 15 4.827 -3.293 -10.449 1.00 0.00 C ATOM 218 O ARG A 15 4.147 -2.583 -11.187 1.00 0.00 O ATOM 219 CB ARG A 15 7.158 -2.302 -10.502 1.00 0.00 C ATOM 220 CG ARG A 15 6.829 -1.278 -11.576 1.00 0.00 C ATOM 221 CD ARG A 15 8.065 -0.866 -12.360 1.00 0.00 C ATOM 222 NE ARG A 15 8.725 -2.010 -12.989 1.00 0.00 N ATOM 223 CZ ARG A 15 9.469 -1.932 -14.091 1.00 0.00 C ATOM 224 NH1 ARG A 15 9.644 -0.766 -14.707 1.00 0.00 N ATOM 225 NH2 ARG A 15 10.041 -3.024 -14.575 1.00 0.00 N ATOM 0 H ARG A 15 6.114 -3.233 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 15 5.561 -1.780 -9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.957 -1.909 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.543 -3.203 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.087 -1.692 -12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.381 -0.398 -11.114 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.783 -0.144 -13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.767 -0.365 -11.693 1.00 0.00 H new ATOM 0 HE ARG A 15 8.608 -2.926 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.207 0.078 -14.336 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.215 -0.715 -15.550 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.911 -3.919 -14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.612 -2.970 -15.419 1.00 0.00 H new ATOM 239 N LYS A 16 4.614 -4.593 -10.342 1.00 0.00 N ATOM 240 CA LYS A 16 3.497 -5.226 -11.033 1.00 0.00 C ATOM 241 C LYS A 16 2.226 -5.097 -10.201 1.00 0.00 C ATOM 242 O LYS A 16 2.284 -5.106 -8.973 1.00 0.00 O ATOM 243 CB LYS A 16 3.795 -6.700 -11.318 1.00 0.00 C ATOM 244 CG LYS A 16 4.914 -6.922 -12.318 1.00 0.00 C ATOM 245 CD LYS A 16 5.101 -8.401 -12.610 1.00 0.00 C ATOM 246 CE LYS A 16 6.068 -8.627 -13.761 1.00 0.00 C ATOM 247 NZ LYS A 16 5.558 -8.035 -15.026 1.00 0.00 N ATOM 0 H LYS A 16 5.191 -5.228 -9.790 1.00 0.00 H new ATOM 0 HA LYS A 16 3.352 -4.718 -11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.055 -7.195 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.889 -7.178 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.690 -6.391 -13.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.842 -6.505 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.473 -8.904 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.137 -8.850 -12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.035 -8.188 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.229 -9.696 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.051 -8.465 -15.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.537 -8.216 -15.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.729 -7.009 -15.023 1.00 0.00 H new ATOM 261 N PRO A 17 1.065 -4.946 -10.858 1.00 0.00 N ATOM 262 CA PRO A 17 -0.225 -4.865 -10.170 1.00 0.00 C ATOM 263 C PRO A 17 -0.511 -6.113 -9.341 1.00 0.00 C ATOM 264 O PRO A 17 -0.293 -7.242 -9.797 1.00 0.00 O ATOM 265 CB PRO A 17 -1.241 -4.732 -11.311 1.00 0.00 C ATOM 266 CG PRO A 17 -0.449 -4.222 -12.464 1.00 0.00 C ATOM 267 CD PRO A 17 0.917 -4.827 -12.318 1.00 0.00 C ATOM 0 HA PRO A 17 -0.258 -4.036 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.705 -5.691 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.045 -4.045 -11.048 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.906 -4.510 -13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.398 -3.133 -12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.985 -5.796 -12.812 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.689 -4.192 -12.753 1.00 0.00 H new ATOM 275 N LEU A 18 -0.993 -5.908 -8.126 1.00 0.00 N ATOM 276 CA LEU A 18 -1.290 -7.011 -7.229 1.00 0.00 C ATOM 277 C LEU A 18 -2.719 -7.500 -7.430 1.00 0.00 C ATOM 278 O LEU A 18 -3.594 -6.743 -7.852 1.00 0.00 O ATOM 279 CB LEU A 18 -1.071 -6.595 -5.770 1.00 0.00 C ATOM 280 CG LEU A 18 0.373 -6.225 -5.413 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.498 -5.878 -3.937 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.315 -7.362 -5.774 1.00 0.00 C ATOM 0 H LEU A 18 -1.187 -4.985 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.609 -7.830 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.714 -5.743 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.392 -7.411 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 18 0.651 -5.344 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.532 -5.619 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.147 -5.030 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.198 -6.736 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.337 -7.084 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.031 -8.258 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.253 -7.560 -6.844 1.00 0.00 H new ATOM 294 N SER A 19 -2.943 -8.771 -7.140 1.00 0.00 N ATOM 295 CA SER A 19 -4.256 -9.371 -7.292 1.00 0.00 C ATOM 296 C SER A 19 -5.185 -8.938 -6.164 1.00 0.00 C ATOM 297 O SER A 19 -4.746 -8.744 -5.028 1.00 0.00 O ATOM 298 CB SER A 19 -4.124 -10.890 -7.318 1.00 0.00 C ATOM 299 OG SER A 19 -3.220 -11.292 -8.335 1.00 0.00 O ATOM 0 H SER A 19 -2.226 -9.410 -6.796 1.00 0.00 H new ATOM 0 HA SER A 19 -4.690 -9.032 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.774 -11.247 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.100 -11.343 -7.491 1.00 0.00 H new ATOM 0 HG SER A 19 -3.145 -12.269 -8.338 1.00 0.00 H new ATOM 305 N ASP A 20 -6.467 -8.800 -6.488 1.00 0.00 N ATOM 306 CA ASP A 20 -7.477 -8.358 -5.528 1.00 0.00 C ATOM 307 C ASP A 20 -7.538 -9.294 -4.325 1.00 0.00 C ATOM 308 O ASP A 20 -7.829 -8.864 -3.208 1.00 0.00 O ATOM 309 CB ASP A 20 -8.844 -8.287 -6.209 1.00 0.00 C ATOM 310 CG ASP A 20 -9.935 -7.791 -5.284 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.010 -6.569 -5.050 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.726 -8.621 -4.793 1.00 0.00 O ATOM 0 H ASP A 20 -6.836 -8.990 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.200 -7.366 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.780 -7.627 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.111 -9.276 -6.581 1.00 0.00 H new ATOM 317 N LYS A 21 -7.243 -10.571 -4.562 1.00 0.00 N ATOM 318 CA LYS A 21 -7.202 -11.570 -3.493 1.00 0.00 C ATOM 319 C LYS A 21 -6.249 -11.130 -2.388 1.00 0.00 C ATOM 320 O LYS A 21 -6.571 -11.207 -1.204 1.00 0.00 O ATOM 321 CB LYS A 21 -6.727 -12.919 -4.032 1.00 0.00 C ATOM 322 CG LYS A 21 -7.469 -13.400 -5.264 1.00 0.00 C ATOM 323 CD LYS A 21 -6.908 -14.730 -5.738 1.00 0.00 C ATOM 324 CE LYS A 21 -7.504 -15.161 -7.070 1.00 0.00 C ATOM 325 NZ LYS A 21 -7.086 -14.267 -8.183 1.00 0.00 N ATOM 0 H LYS A 21 -7.028 -10.940 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.212 -11.669 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.665 -12.849 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.830 -13.667 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.530 -13.506 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.385 -12.659 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.825 -14.652 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.107 -15.495 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.196 -16.183 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.592 -15.164 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.340 -14.703 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.568 -13.350 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.057 -14.122 -8.144 1.00 0.00 H new ATOM 339 N LEU A 22 -5.072 -10.679 -2.792 1.00 0.00 N ATOM 340 CA LEU A 22 -4.062 -10.211 -1.853 1.00 0.00 C ATOM 341 C LEU A 22 -4.469 -8.863 -1.286 1.00 0.00 C ATOM 342 O LEU A 22 -4.220 -8.565 -0.122 1.00 0.00 O ATOM 343 CB LEU A 22 -2.699 -10.061 -2.538 1.00 0.00 C ATOM 344 CG LEU A 22 -2.508 -10.873 -3.818 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.162 -10.556 -4.451 1.00 0.00 C ATOM 346 CD2 LEU A 22 -2.625 -12.366 -3.543 1.00 0.00 C ATOM 0 H LEU A 22 -4.790 -10.627 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.982 -10.949 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.544 -9.008 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.923 -10.348 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.299 -10.595 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.041 -11.142 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.115 -9.494 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.364 -10.804 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.485 -12.919 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.862 -12.664 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.612 -12.585 -3.136 1.00 0.00 H new ATOM 358 N LEU A 23 -5.097 -8.052 -2.125 1.00 0.00 N ATOM 359 CA LEU A 23 -5.464 -6.702 -1.742 1.00 0.00 C ATOM 360 C LEU A 23 -6.482 -6.711 -0.600 1.00 0.00 C ATOM 361 O LEU A 23 -6.326 -5.990 0.381 1.00 0.00 O ATOM 362 CB LEU A 23 -5.990 -5.922 -2.952 1.00 0.00 C ATOM 363 CG LEU A 23 -4.942 -5.647 -4.039 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.542 -4.853 -5.188 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.746 -4.905 -3.456 1.00 0.00 C ATOM 0 H LEU A 23 -5.362 -8.308 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.570 -6.196 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.816 -6.478 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.395 -4.971 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.603 -6.608 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.778 -4.672 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.363 -5.417 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.916 -3.899 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.014 -4.719 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.077 -3.955 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.290 -5.509 -2.672 1.00 0.00 H new ATOM 377 N ARG A 24 -7.496 -7.567 -0.696 1.00 0.00 N ATOM 378 CA ARG A 24 -8.499 -7.697 0.371 1.00 0.00 C ATOM 379 C ARG A 24 -7.899 -8.349 1.622 1.00 0.00 C ATOM 380 O ARG A 24 -8.592 -8.596 2.613 1.00 0.00 O ATOM 381 CB ARG A 24 -9.709 -8.497 -0.123 1.00 0.00 C ATOM 382 CG ARG A 24 -9.359 -9.878 -0.649 1.00 0.00 C ATOM 383 CD ARG A 24 -10.582 -10.595 -1.195 1.00 0.00 C ATOM 384 NE ARG A 24 -11.540 -10.929 -0.142 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.767 -11.399 -0.372 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.223 -11.509 -1.614 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.548 -11.736 0.644 1.00 0.00 N ATOM 0 H ARG A 24 -7.649 -8.181 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.830 -6.695 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.423 -8.600 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.207 -7.934 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.608 -9.789 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.916 -10.471 0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.068 -9.965 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.270 -11.507 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.253 -10.794 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.634 -11.233 -2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.162 -11.869 -1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.211 -11.636 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.486 -12.095 0.469 1.00 0.00 H new ATOM 401 N LYS A 25 -6.604 -8.596 1.567 1.00 0.00 N ATOM 402 CA LYS A 25 -5.862 -9.194 2.667 1.00 0.00 C ATOM 403 C LYS A 25 -4.891 -8.180 3.262 1.00 0.00 C ATOM 404 O LYS A 25 -4.182 -8.468 4.232 1.00 0.00 O ATOM 405 CB LYS A 25 -5.105 -10.432 2.184 1.00 0.00 C ATOM 406 CG LYS A 25 -5.960 -11.688 2.122 1.00 0.00 C ATOM 407 CD LYS A 25 -5.307 -12.790 1.294 1.00 0.00 C ATOM 408 CE LYS A 25 -3.800 -12.851 1.497 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.232 -14.147 1.039 1.00 0.00 N ATOM 0 H LYS A 25 -6.030 -8.386 0.751 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.568 -9.496 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.696 -10.233 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.259 -10.612 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.139 -12.054 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.932 -11.443 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.746 -13.751 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.522 -12.624 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.327 -12.034 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.569 -12.706 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.204 -14.149 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.665 -14.925 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.430 -14.274 0.026 1.00 0.00 H new ATOM 423 N VAL A 26 -4.856 -6.999 2.658 1.00 0.00 N ATOM 424 CA VAL A 26 -4.056 -5.897 3.143 1.00 0.00 C ATOM 425 C VAL A 26 -4.694 -5.291 4.389 1.00 0.00 C ATOM 426 O VAL A 26 -5.909 -5.380 4.580 1.00 0.00 O ATOM 427 CB VAL A 26 -3.915 -4.827 2.036 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.282 -3.557 2.558 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.104 -5.370 0.876 1.00 0.00 C ATOM 0 H VAL A 26 -5.387 -6.784 1.814 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.065 -6.265 3.407 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.920 -4.582 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.201 -2.831 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.900 -3.144 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.288 -3.779 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.014 -4.605 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.111 -5.651 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.603 -6.246 0.461 1.00 0.00 H new ATOM 439 N ILE A 27 -3.873 -4.707 5.244 1.00 0.00 N ATOM 440 CA ILE A 27 -4.367 -4.055 6.447 1.00 0.00 C ATOM 441 C ILE A 27 -4.053 -2.562 6.432 1.00 0.00 C ATOM 442 O ILE A 27 -4.880 -1.746 6.840 1.00 0.00 O ATOM 443 CB ILE A 27 -3.801 -4.705 7.730 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.273 -4.830 7.659 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.443 -6.066 7.953 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.659 -5.511 8.866 1.00 0.00 C ATOM 0 H ILE A 27 -2.860 -4.670 5.129 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.449 -4.185 6.455 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.041 -4.061 8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.005 -5.389 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.841 -3.835 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.037 -6.516 8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.521 -5.947 8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.231 -6.712 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.577 -5.563 8.743 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.896 -4.941 9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.062 -6.519 8.959 1.00 0.00 H new ATOM 458 N GLN A 28 -2.869 -2.208 5.937 1.00 0.00 N ATOM 459 CA GLN A 28 -2.444 -0.814 5.872 1.00 0.00 C ATOM 460 C GLN A 28 -1.539 -0.576 4.673 1.00 0.00 C ATOM 461 O GLN A 28 -0.926 -1.507 4.146 1.00 0.00 O ATOM 462 CB GLN A 28 -1.699 -0.407 7.150 1.00 0.00 C ATOM 463 CG GLN A 28 -2.614 -0.050 8.310 1.00 0.00 C ATOM 464 CD GLN A 28 -3.470 1.172 8.026 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.067 2.072 7.289 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.658 1.205 8.606 1.00 0.00 N ATOM 0 H GLN A 28 -2.185 -2.872 5.574 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.343 -0.206 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.046 -1.225 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.059 0.447 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.261 -0.899 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.012 0.132 9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.952 0.437 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.280 1.998 8.450 1.00 0.00 H new ATOM 475 N VAL A 29 -1.473 0.672 4.239 1.00 0.00 N ATOM 476 CA VAL A 29 -0.534 1.078 3.206 1.00 0.00 C ATOM 477 C VAL A 29 0.554 1.929 3.835 1.00 0.00 C ATOM 478 O VAL A 29 0.269 2.962 4.444 1.00 0.00 O ATOM 479 CB VAL A 29 -1.214 1.884 2.077 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.221 2.206 0.963 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.413 1.133 1.527 1.00 0.00 C ATOM 0 H VAL A 29 -2.063 1.427 4.589 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.118 0.173 2.762 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.565 2.825 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.724 2.774 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.601 2.796 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.170 1.278 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.877 1.719 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.088 0.172 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.136 0.968 2.325 1.00 0.00 H new ATOM 491 N GLU A 30 1.790 1.495 3.705 1.00 0.00 N ATOM 492 CA GLU A 30 2.896 2.204 4.311 1.00 0.00 C ATOM 493 C GLU A 30 3.698 2.941 3.249 1.00 0.00 C ATOM 494 O GLU A 30 4.316 2.335 2.371 1.00 0.00 O ATOM 495 CB GLU A 30 3.768 1.235 5.116 1.00 0.00 C ATOM 496 CG GLU A 30 4.237 0.018 4.333 1.00 0.00 C ATOM 497 CD GLU A 30 4.716 -1.101 5.242 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.251 -0.804 6.331 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.539 -2.283 4.884 1.00 0.00 O ATOM 0 H GLU A 30 2.053 0.657 3.187 1.00 0.00 H new ATOM 0 HA GLU A 30 2.508 2.951 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.641 1.772 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.207 0.898 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.421 -0.347 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.045 0.309 3.662 1.00 0.00 H new ATOM 506 N LEU A 31 3.652 4.263 3.308 1.00 0.00 N ATOM 507 CA LEU A 31 4.356 5.085 2.346 1.00 0.00 C ATOM 508 C LEU A 31 5.817 5.233 2.735 1.00 0.00 C ATOM 509 O LEU A 31 6.153 5.941 3.682 1.00 0.00 O ATOM 510 CB LEU A 31 3.693 6.460 2.223 1.00 0.00 C ATOM 511 CG LEU A 31 4.396 7.448 1.284 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.547 6.857 -0.110 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.628 8.757 1.224 1.00 0.00 C ATOM 0 H LEU A 31 3.133 4.786 4.013 1.00 0.00 H new ATOM 0 HA LEU A 31 4.307 4.591 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.669 6.321 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.635 6.907 3.216 1.00 0.00 H new ATOM 0 HG LEU A 31 5.392 7.645 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.048 7.576 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.139 5.943 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.562 6.627 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.139 9.448 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.620 8.571 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.573 9.193 2.222 1.00 0.00 H new ATOM 525 N GLN A 32 6.665 4.532 2.008 1.00 0.00 N ATOM 526 CA GLN A 32 8.100 4.676 2.139 1.00 0.00 C ATOM 527 C GLN A 32 8.532 5.981 1.486 1.00 0.00 C ATOM 528 O GLN A 32 8.556 6.094 0.261 1.00 0.00 O ATOM 529 CB GLN A 32 8.793 3.483 1.485 1.00 0.00 C ATOM 530 CG GLN A 32 10.292 3.643 1.339 1.00 0.00 C ATOM 531 CD GLN A 32 10.931 2.453 0.661 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.500 1.310 0.828 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.939 2.714 -0.144 1.00 0.00 N ATOM 0 H GLN A 32 6.377 3.846 1.310 1.00 0.00 H new ATOM 0 HA GLN A 32 8.381 4.702 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.589 2.590 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.358 3.319 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.505 4.544 0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.738 3.781 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.267 3.673 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.392 1.957 -0.656 1.00 0.00 H new ATOM 542 N GLU A 33 8.831 6.978 2.300 1.00 0.00 N ATOM 543 CA GLU A 33 9.219 8.277 1.778 1.00 0.00 C ATOM 544 C GLU A 33 10.661 8.274 1.290 1.00 0.00 C ATOM 545 O GLU A 33 11.472 7.444 1.712 1.00 0.00 O ATOM 546 CB GLU A 33 9.022 9.365 2.830 1.00 0.00 C ATOM 547 CG GLU A 33 7.568 9.606 3.189 1.00 0.00 C ATOM 548 CD GLU A 33 7.378 10.876 3.987 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.452 11.972 3.386 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.170 10.792 5.212 1.00 0.00 O ATOM 0 H GLU A 33 8.813 6.915 3.318 1.00 0.00 H new ATOM 0 HA GLU A 33 8.574 8.491 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.570 9.090 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.456 10.295 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.975 9.661 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.192 8.759 3.763 1.00 0.00 H new ATOM 557 N ALA A 34 10.973 9.227 0.415 1.00 0.00 N ATOM 558 CA ALA A 34 12.299 9.329 -0.187 1.00 0.00 C ATOM 559 C ALA A 34 13.289 10.002 0.755 1.00 0.00 C ATOM 560 O ALA A 34 14.447 10.222 0.399 1.00 0.00 O ATOM 561 CB ALA A 34 12.227 10.090 -1.505 1.00 0.00 C ATOM 0 H ALA A 34 10.319 9.945 0.105 1.00 0.00 H new ATOM 0 HA ALA A 34 12.654 8.317 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.224 10.157 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.565 9.564 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.841 11.093 -1.325 1.00 0.00 H new ATOM 567 N ASP A 35 12.836 10.325 1.957 1.00 0.00 N ATOM 568 CA ASP A 35 13.705 10.931 2.953 1.00 0.00 C ATOM 569 C ASP A 35 13.321 10.486 4.358 1.00 0.00 C ATOM 570 O ASP A 35 14.185 10.137 5.162 1.00 0.00 O ATOM 571 CB ASP A 35 13.660 12.460 2.852 1.00 0.00 C ATOM 572 CG ASP A 35 14.425 13.140 3.968 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.673 13.099 3.950 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.782 13.714 4.872 1.00 0.00 O ATOM 0 H ASP A 35 11.875 10.178 2.265 1.00 0.00 H new ATOM 0 HA ASP A 35 14.723 10.597 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.073 12.769 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.622 12.791 2.874 1.00 0.00 H new ATOM 579 N GLY A 36 12.021 10.500 4.642 1.00 0.00 N ATOM 580 CA GLY A 36 11.533 10.118 5.959 1.00 0.00 C ATOM 581 C GLY A 36 11.907 8.700 6.356 1.00 0.00 C ATOM 582 O GLY A 36 12.639 8.492 7.325 1.00 0.00 O ATOM 0 H GLY A 36 11.293 10.770 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.931 10.811 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.448 10.218 5.979 1.00 0.00 H new ATOM 586 N ASP A 37 11.401 7.726 5.617 1.00 0.00 N ATOM 587 CA ASP A 37 11.624 6.319 5.942 1.00 0.00 C ATOM 588 C ASP A 37 12.933 5.824 5.345 1.00 0.00 C ATOM 589 O ASP A 37 13.759 5.218 6.029 1.00 0.00 O ATOM 590 CB ASP A 37 10.476 5.460 5.406 1.00 0.00 C ATOM 591 CG ASP A 37 9.117 5.955 5.849 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.591 6.888 5.208 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.575 5.422 6.839 1.00 0.00 O ATOM 0 H ASP A 37 10.831 7.880 4.785 1.00 0.00 H new ATOM 0 HA ASP A 37 11.672 6.233 7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.516 5.447 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.610 4.432 5.742 1.00 0.00 H new ATOM 598 N CYS A 38 13.107 6.094 4.064 1.00 0.00 N ATOM 599 CA CYS A 38 14.251 5.611 3.311 1.00 0.00 C ATOM 600 C CYS A 38 14.792 6.756 2.462 1.00 0.00 C ATOM 601 O CYS A 38 14.367 7.893 2.630 1.00 0.00 O ATOM 602 CB CYS A 38 13.797 4.434 2.435 1.00 0.00 C ATOM 603 SG CYS A 38 15.113 3.587 1.491 1.00 0.00 S ATOM 0 H CYS A 38 12.457 6.656 3.515 1.00 0.00 H new ATOM 0 HA CYS A 38 15.044 5.266 3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.305 3.700 3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.048 4.798 1.731 1.00 0.00 H new ATOM 608 N HIS A 39 15.732 6.476 1.573 1.00 0.00 N ATOM 609 CA HIS A 39 16.214 7.496 0.642 1.00 0.00 C ATOM 610 C HIS A 39 15.639 7.247 -0.747 1.00 0.00 C ATOM 611 O HIS A 39 16.116 7.780 -1.745 1.00 0.00 O ATOM 612 CB HIS A 39 17.751 7.552 0.605 1.00 0.00 C ATOM 613 CG HIS A 39 18.425 6.262 0.235 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.045 5.452 1.159 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.596 5.656 -0.963 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.568 4.408 0.548 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.314 4.505 -0.743 1.00 0.00 N ATOM 0 H HIS A 39 16.175 5.563 1.473 1.00 0.00 H new ATOM 0 HA HIS A 39 15.869 8.468 0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.054 8.320 -0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.112 7.865 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.235 6.012 -1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.113 3.607 1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.602 3.837 -1.458 1.00 0.00 H new ATOM 626 N LEU A 40 14.594 6.438 -0.785 1.00 0.00 N ATOM 627 CA LEU A 40 13.905 6.106 -2.018 1.00 0.00 C ATOM 628 C LEU A 40 12.416 6.012 -1.728 1.00 0.00 C ATOM 629 O LEU A 40 12.017 5.367 -0.762 1.00 0.00 O ATOM 630 CB LEU A 40 14.454 4.782 -2.580 1.00 0.00 C ATOM 631 CG LEU A 40 13.916 4.346 -3.950 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.952 3.496 -4.672 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.623 3.553 -3.803 1.00 0.00 C ATOM 0 H LEU A 40 14.199 5.992 0.043 1.00 0.00 H new ATOM 0 HA LEU A 40 14.070 6.878 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.539 4.864 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.240 3.991 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 40 13.710 5.244 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.561 3.192 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.864 4.076 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.175 2.610 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.264 3.257 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.808 2.663 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.871 4.171 -3.313 1.00 0.00 H new ATOM 645 N GLN A 41 11.605 6.677 -2.540 1.00 0.00 N ATOM 646 CA GLN A 41 10.163 6.703 -2.320 1.00 0.00 C ATOM 647 C GLN A 41 9.503 5.461 -2.907 1.00 0.00 C ATOM 648 O GLN A 41 9.734 5.115 -4.065 1.00 0.00 O ATOM 649 CB GLN A 41 9.543 7.961 -2.938 1.00 0.00 C ATOM 650 CG GLN A 41 8.048 8.092 -2.678 1.00 0.00 C ATOM 651 CD GLN A 41 7.422 9.286 -3.372 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.873 9.716 -4.436 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.369 9.824 -2.776 1.00 0.00 N ATOM 0 H GLN A 41 11.919 7.204 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 41 9.990 6.717 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.051 8.840 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.717 7.951 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.547 7.183 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.879 8.174 -1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.028 9.437 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.899 10.625 -3.197 1.00 0.00 H new ATOM 662 N ALA A 42 8.684 4.800 -2.103 1.00 0.00 N ATOM 663 CA ALA A 42 7.979 3.607 -2.534 1.00 0.00 C ATOM 664 C ALA A 42 6.630 3.499 -1.844 1.00 0.00 C ATOM 665 O ALA A 42 6.470 3.913 -0.698 1.00 0.00 O ATOM 666 CB ALA A 42 8.806 2.363 -2.249 1.00 0.00 C ATOM 0 H ALA A 42 8.492 5.075 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 42 7.817 3.684 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.260 1.479 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.753 2.425 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.998 2.291 -1.178 1.00 0.00 H new ATOM 672 N PHE A 43 5.660 2.952 -2.548 1.00 0.00 N ATOM 673 CA PHE A 43 4.361 2.688 -1.964 1.00 0.00 C ATOM 674 C PHE A 43 4.277 1.224 -1.570 1.00 0.00 C ATOM 675 O PHE A 43 4.079 0.352 -2.413 1.00 0.00 O ATOM 676 CB PHE A 43 3.243 3.039 -2.943 1.00 0.00 C ATOM 677 CG PHE A 43 2.832 4.484 -2.913 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.862 4.916 -2.023 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.403 5.406 -3.774 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.469 6.241 -1.991 1.00 0.00 C ATOM 681 CE2 PHE A 43 3.014 6.733 -3.749 1.00 0.00 C ATOM 682 CZ PHE A 43 2.047 7.150 -2.854 1.00 0.00 C ATOM 0 H PHE A 43 5.747 2.681 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 43 4.238 3.311 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.566 2.785 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.373 2.420 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.407 4.209 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.161 5.085 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.711 6.564 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.465 7.442 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.744 8.186 -2.830 1.00 0.00 H new ATOM 692 N VAL A 44 4.452 0.956 -0.292 1.00 0.00 N ATOM 693 CA VAL A 44 4.530 -0.409 0.185 1.00 0.00 C ATOM 694 C VAL A 44 3.188 -0.854 0.758 1.00 0.00 C ATOM 695 O VAL A 44 2.562 -0.139 1.543 1.00 0.00 O ATOM 696 CB VAL A 44 5.645 -0.550 1.242 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.866 -2.007 1.629 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.932 0.071 0.722 1.00 0.00 C ATOM 0 H VAL A 44 4.543 1.666 0.435 1.00 0.00 H new ATOM 0 HA VAL A 44 4.773 -1.055 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 44 5.332 -0.019 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.658 -2.069 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.945 -2.417 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.153 -2.578 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.715 -0.032 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.237 -0.437 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.767 1.128 0.512 1.00 0.00 H new ATOM 708 N LEU A 45 2.738 -2.023 0.340 1.00 0.00 N ATOM 709 CA LEU A 45 1.461 -2.548 0.785 1.00 0.00 C ATOM 710 C LEU A 45 1.665 -3.576 1.875 1.00 0.00 C ATOM 711 O LEU A 45 2.381 -4.563 1.690 1.00 0.00 O ATOM 712 CB LEU A 45 0.688 -3.153 -0.384 1.00 0.00 C ATOM 713 CG LEU A 45 0.232 -2.135 -1.426 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.582 -2.802 -2.521 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.572 -1.035 -0.760 1.00 0.00 C ATOM 0 H LEU A 45 3.240 -2.628 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 45 0.874 -1.724 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.315 -3.900 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.186 -3.675 0.004 1.00 0.00 H new ATOM 0 HG LEU A 45 1.116 -1.696 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.894 -2.054 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.026 -3.559 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.463 -3.272 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.893 -0.313 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.447 -1.467 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.045 -0.533 -0.015 1.00 0.00 H new ATOM 727 N HIS A 46 1.035 -3.342 3.010 1.00 0.00 N ATOM 728 CA HIS A 46 1.221 -4.203 4.156 1.00 0.00 C ATOM 729 C HIS A 46 0.016 -5.107 4.346 1.00 0.00 C ATOM 730 O HIS A 46 -1.063 -4.658 4.737 1.00 0.00 O ATOM 731 CB HIS A 46 1.460 -3.378 5.419 1.00 0.00 C ATOM 732 CG HIS A 46 2.239 -4.119 6.455 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.599 -3.996 6.588 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.849 -5.005 7.399 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.018 -4.777 7.561 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.973 -5.404 8.075 1.00 0.00 N ATOM 0 H HIS A 46 0.392 -2.565 3.161 1.00 0.00 H new ATOM 0 HA HIS A 46 2.099 -4.823 3.973 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.992 -2.464 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.500 -3.078 5.839 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.194 -3.392 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.838 -5.337 7.586 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.042 -4.887 7.885 1.00 0.00 H new ATOM 745 N LEU A 47 0.208 -6.379 4.058 1.00 0.00 N ATOM 746 CA LEU A 47 -0.824 -7.375 4.265 1.00 0.00 C ATOM 747 C LEU A 47 -0.698 -7.930 5.675 1.00 0.00 C ATOM 748 O LEU A 47 0.328 -7.738 6.327 1.00 0.00 O ATOM 749 CB LEU A 47 -0.715 -8.513 3.242 1.00 0.00 C ATOM 750 CG LEU A 47 -1.002 -8.147 1.778 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.147 -7.353 1.167 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.269 -9.407 0.969 1.00 0.00 C ATOM 0 H LEU A 47 1.078 -6.750 3.676 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.798 -6.903 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.291 -8.928 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.404 -9.305 3.537 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.889 -7.514 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.089 -7.111 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.293 -6.432 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.059 -7.948 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.471 -9.138 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.396 -10.058 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.131 -9.929 1.383 1.00 0.00 H new ATOM 764 N ALA A 48 -1.713 -8.645 6.132 1.00 0.00 N ATOM 765 CA ALA A 48 -1.746 -9.125 7.510 1.00 0.00 C ATOM 766 C ALA A 48 -0.730 -10.241 7.753 1.00 0.00 C ATOM 767 O ALA A 48 -0.534 -10.675 8.888 1.00 0.00 O ATOM 768 CB ALA A 48 -3.146 -9.595 7.875 1.00 0.00 C ATOM 0 H ALA A 48 -2.525 -8.907 5.573 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.471 -8.288 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.154 -9.950 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.847 -8.766 7.771 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.442 -10.406 7.210 1.00 0.00 H new ATOM 774 N GLN A 49 -0.091 -10.715 6.688 1.00 0.00 N ATOM 775 CA GLN A 49 0.926 -11.747 6.827 1.00 0.00 C ATOM 776 C GLN A 49 2.149 -11.506 5.938 1.00 0.00 C ATOM 777 O GLN A 49 3.026 -12.369 5.855 1.00 0.00 O ATOM 778 CB GLN A 49 0.354 -13.154 6.579 1.00 0.00 C ATOM 779 CG GLN A 49 -0.764 -13.258 5.547 1.00 0.00 C ATOM 780 CD GLN A 49 -0.416 -12.684 4.190 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.276 -13.311 3.393 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.986 -11.534 3.876 1.00 0.00 N ATOM 0 H GLN A 49 -0.258 -10.404 5.731 1.00 0.00 H new ATOM 0 HA GLN A 49 1.262 -11.688 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.170 -13.805 6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.018 -13.544 7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.034 -14.307 5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.645 -12.744 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.554 -11.042 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.858 -11.139 2.944 1.00 0.00 H new ATOM 791 N ARG A 50 2.237 -10.337 5.296 1.00 0.00 N ATOM 792 CA ARG A 50 3.363 -10.064 4.398 1.00 0.00 C ATOM 793 C ARG A 50 3.426 -8.593 3.996 1.00 0.00 C ATOM 794 O ARG A 50 2.482 -7.839 4.223 1.00 0.00 O ATOM 795 CB ARG A 50 3.263 -10.932 3.139 1.00 0.00 C ATOM 796 CG ARG A 50 2.127 -10.542 2.211 1.00 0.00 C ATOM 797 CD ARG A 50 2.001 -11.509 1.049 1.00 0.00 C ATOM 798 NE ARG A 50 3.275 -11.702 0.358 1.00 0.00 N ATOM 799 CZ ARG A 50 3.406 -12.268 -0.840 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.333 -12.655 -1.522 1.00 0.00 N ATOM 801 NH2 ARG A 50 4.619 -12.447 -1.352 1.00 0.00 N ATOM 0 H ARG A 50 1.559 -9.580 5.378 1.00 0.00 H new ATOM 0 HA ARG A 50 4.276 -10.307 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.204 -10.870 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.135 -11.973 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.191 -10.519 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.296 -9.535 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.637 -12.469 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.259 -11.134 0.344 1.00 0.00 H new ATOM 0 HE ARG A 50 4.122 -11.381 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.402 -12.519 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.441 -13.088 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.443 -12.151 -0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.727 -12.880 -2.269 1.00 0.00 H new ATOM 815 N SER A 51 4.539 -8.202 3.386 1.00 0.00 N ATOM 816 CA SER A 51 4.719 -6.840 2.896 1.00 0.00 C ATOM 817 C SER A 51 5.251 -6.871 1.465 1.00 0.00 C ATOM 818 O SER A 51 6.092 -7.707 1.130 1.00 0.00 O ATOM 819 CB SER A 51 5.701 -6.082 3.792 1.00 0.00 C ATOM 820 OG SER A 51 5.409 -6.284 5.166 1.00 0.00 O ATOM 0 H SER A 51 5.337 -8.815 3.218 1.00 0.00 H new ATOM 0 HA SER A 51 3.756 -6.330 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.718 -6.413 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.659 -5.017 3.562 1.00 0.00 H new ATOM 0 HG SER A 51 6.173 -5.997 5.708 1.00 0.00 H new ATOM 826 N ILE A 52 4.747 -5.978 0.623 1.00 0.00 N ATOM 827 CA ILE A 52 5.188 -5.895 -0.767 1.00 0.00 C ATOM 828 C ILE A 52 5.483 -4.444 -1.131 1.00 0.00 C ATOM 829 O ILE A 52 4.668 -3.562 -0.863 1.00 0.00 O ATOM 830 CB ILE A 52 4.120 -6.460 -1.733 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.793 -7.917 -1.381 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.596 -6.354 -3.177 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.672 -8.511 -2.208 1.00 0.00 C ATOM 0 H ILE A 52 4.030 -5.298 0.878 1.00 0.00 H new ATOM 0 HA ILE A 52 6.093 -6.495 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 52 3.211 -5.867 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.690 -8.523 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.523 -7.974 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.832 -6.756 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.778 -5.308 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.518 -6.922 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.500 -9.542 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.762 -7.931 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.946 -8.488 -3.263 1.00 0.00 H new ATOM 845 N CYS A 53 6.623 -4.198 -1.763 1.00 0.00 N ATOM 846 CA CYS A 53 7.036 -2.836 -2.073 1.00 0.00 C ATOM 847 C CYS A 53 6.761 -2.503 -3.536 1.00 0.00 C ATOM 848 O CYS A 53 7.259 -3.161 -4.454 1.00 0.00 O ATOM 849 CB CYS A 53 8.525 -2.641 -1.756 1.00 0.00 C ATOM 850 SG CYS A 53 8.924 -2.748 0.022 1.00 0.00 S ATOM 0 H CYS A 53 7.275 -4.920 -2.070 1.00 0.00 H new ATOM 0 HA CYS A 53 6.453 -2.157 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.102 -3.393 -2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.842 -1.668 -2.131 1.00 0.00 H new ATOM 855 N ILE A 54 5.956 -1.473 -3.742 1.00 0.00 N ATOM 856 CA ILE A 54 5.552 -1.055 -5.072 1.00 0.00 C ATOM 857 C ILE A 54 6.210 0.269 -5.458 1.00 0.00 C ATOM 858 O ILE A 54 6.370 1.167 -4.631 1.00 0.00 O ATOM 859 CB ILE A 54 4.005 -0.943 -5.160 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.414 -2.199 -5.810 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.565 0.313 -5.903 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.901 -2.174 -5.903 1.00 0.00 C ATOM 0 H ILE A 54 5.565 -0.904 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 54 5.886 -1.814 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 54 3.622 -0.863 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.830 -2.311 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.721 -3.074 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.476 0.351 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.941 1.194 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.963 0.294 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.550 -3.093 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.476 -2.093 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.587 -1.318 -6.501 1.00 0.00 H new ATOM 874 N HIS A 55 6.613 0.364 -6.715 1.00 0.00 N ATOM 875 CA HIS A 55 7.134 1.605 -7.272 1.00 0.00 C ATOM 876 C HIS A 55 5.999 2.613 -7.442 1.00 0.00 C ATOM 877 O HIS A 55 4.987 2.295 -8.062 1.00 0.00 O ATOM 878 CB HIS A 55 7.811 1.314 -8.623 1.00 0.00 C ATOM 879 CG HIS A 55 8.151 2.533 -9.429 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.368 2.979 -10.468 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.189 3.400 -9.345 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.901 4.067 -10.988 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.009 4.344 -10.327 1.00 0.00 N ATOM 0 H HIS A 55 6.589 -0.412 -7.376 1.00 0.00 H new ATOM 0 HA HIS A 55 7.873 2.031 -6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.725 0.748 -8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.153 0.676 -9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.005 3.357 -8.639 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.499 4.635 -11.814 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.631 5.131 -10.515 1.00 0.00 H new ATOM 892 N PRO A 56 6.145 3.831 -6.885 1.00 0.00 N ATOM 893 CA PRO A 56 5.142 4.897 -7.028 1.00 0.00 C ATOM 894 C PRO A 56 4.863 5.203 -8.494 1.00 0.00 C ATOM 895 O PRO A 56 5.671 4.870 -9.355 1.00 0.00 O ATOM 896 CB PRO A 56 5.792 6.101 -6.343 1.00 0.00 C ATOM 897 CG PRO A 56 6.786 5.512 -5.405 1.00 0.00 C ATOM 898 CD PRO A 56 7.297 4.271 -6.081 1.00 0.00 C ATOM 0 HA PRO A 56 4.181 4.623 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.273 6.757 -7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.053 6.701 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.598 6.211 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.326 5.274 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.167 4.480 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.597 3.513 -5.358 1.00 0.00 H new ATOM 906 N GLN A 57 3.741 5.856 -8.769 1.00 0.00 N ATOM 907 CA GLN A 57 3.267 6.023 -10.141 1.00 0.00 C ATOM 908 C GLN A 57 2.897 4.650 -10.691 1.00 0.00 C ATOM 909 O GLN A 57 3.458 4.171 -11.681 1.00 0.00 O ATOM 910 CB GLN A 57 4.305 6.721 -11.044 1.00 0.00 C ATOM 911 CG GLN A 57 4.437 8.226 -10.818 1.00 0.00 C ATOM 912 CD GLN A 57 4.916 8.595 -9.424 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.121 8.662 -9.165 1.00 0.00 O ATOM 914 NE2 GLN A 57 3.981 8.854 -8.521 1.00 0.00 N ATOM 0 H GLN A 57 3.141 6.279 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 57 2.393 6.674 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.278 6.256 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.037 6.546 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.132 8.635 -11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.471 8.697 -10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.995 8.788 -8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.247 9.120 -7.573 1.00 0.00 H new ATOM 923 N ASN A 58 1.962 4.016 -10.002 1.00 0.00 N ATOM 924 CA ASN A 58 1.556 2.658 -10.303 1.00 0.00 C ATOM 925 C ASN A 58 0.051 2.500 -10.135 1.00 0.00 C ATOM 926 O ASN A 58 -0.505 2.852 -9.090 1.00 0.00 O ATOM 927 CB ASN A 58 2.273 1.685 -9.375 1.00 0.00 C ATOM 928 CG ASN A 58 2.179 0.259 -9.858 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.234 -0.460 -9.539 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.161 -0.155 -10.635 1.00 0.00 N ATOM 0 H ASN A 58 1.463 4.433 -9.216 1.00 0.00 H new ATOM 0 HA ASN A 58 1.821 2.440 -11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.322 1.970 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.844 1.757 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.157 -1.108 -10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.925 0.478 -10.873 1.00 0.00 H new ATOM 937 N PRO A 59 -0.624 1.955 -11.158 1.00 0.00 N ATOM 938 CA PRO A 59 -2.075 1.769 -11.143 1.00 0.00 C ATOM 939 C PRO A 59 -2.553 0.934 -9.960 1.00 0.00 C ATOM 940 O PRO A 59 -3.622 1.186 -9.413 1.00 0.00 O ATOM 941 CB PRO A 59 -2.363 1.036 -12.457 1.00 0.00 C ATOM 942 CG PRO A 59 -1.202 1.343 -13.333 1.00 0.00 C ATOM 943 CD PRO A 59 -0.021 1.489 -12.419 1.00 0.00 C ATOM 0 HA PRO A 59 -2.595 2.722 -11.045 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.463 -0.037 -12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.296 1.379 -12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.038 0.545 -14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.372 2.258 -13.900 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.505 0.544 -12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.703 2.206 -12.808 1.00 0.00 H new ATOM 951 N SER A 60 -1.752 -0.045 -9.553 1.00 0.00 N ATOM 952 CA SER A 60 -2.154 -0.965 -8.500 1.00 0.00 C ATOM 953 C SER A 60 -2.311 -0.241 -7.168 1.00 0.00 C ATOM 954 O SER A 60 -3.225 -0.540 -6.410 1.00 0.00 O ATOM 955 CB SER A 60 -1.144 -2.107 -8.365 1.00 0.00 C ATOM 956 OG SER A 60 -1.611 -3.115 -7.483 1.00 0.00 O ATOM 0 H SER A 60 -0.823 -0.220 -9.936 1.00 0.00 H new ATOM 0 HA SER A 60 -3.121 -1.384 -8.777 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.952 -2.542 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.196 -1.713 -7.999 1.00 0.00 H new ATOM 0 HG SER A 60 -0.985 -3.211 -6.735 1.00 0.00 H new ATOM 962 N LEU A 61 -1.437 0.722 -6.895 1.00 0.00 N ATOM 963 CA LEU A 61 -1.475 1.435 -5.623 1.00 0.00 C ATOM 964 C LEU A 61 -2.568 2.506 -5.642 1.00 0.00 C ATOM 965 O LEU A 61 -3.336 2.635 -4.689 1.00 0.00 O ATOM 966 CB LEU A 61 -0.111 2.067 -5.319 1.00 0.00 C ATOM 967 CG LEU A 61 0.369 1.948 -3.867 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.687 2.450 -2.900 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.760 0.516 -3.540 1.00 0.00 C ATOM 0 H LEU A 61 -0.700 1.025 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.706 0.719 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.635 1.607 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.154 3.124 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 61 1.253 2.576 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.320 2.354 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.905 3.497 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.596 1.860 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.097 0.458 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.102 -0.137 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.566 0.199 -4.202 1.00 0.00 H new ATOM 981 N SER A 62 -2.642 3.259 -6.735 1.00 0.00 N ATOM 982 CA SER A 62 -3.648 4.309 -6.877 1.00 0.00 C ATOM 983 C SER A 62 -5.054 3.713 -6.795 1.00 0.00 C ATOM 984 O SER A 62 -5.902 4.161 -6.005 1.00 0.00 O ATOM 985 CB SER A 62 -3.457 5.031 -8.213 1.00 0.00 C ATOM 986 OG SER A 62 -4.252 6.198 -8.289 1.00 0.00 O ATOM 0 H SER A 62 -2.018 3.163 -7.536 1.00 0.00 H new ATOM 0 HA SER A 62 -3.529 5.026 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.407 5.296 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.716 4.359 -9.031 1.00 0.00 H new ATOM 0 HG SER A 62 -3.764 6.952 -7.898 1.00 0.00 H new ATOM 992 N GLN A 63 -5.284 2.671 -7.589 1.00 0.00 N ATOM 993 CA GLN A 63 -6.561 1.975 -7.580 1.00 0.00 C ATOM 994 C GLN A 63 -6.789 1.325 -6.229 1.00 0.00 C ATOM 995 O GLN A 63 -7.929 1.160 -5.798 1.00 0.00 O ATOM 996 CB GLN A 63 -6.614 0.912 -8.678 1.00 0.00 C ATOM 997 CG GLN A 63 -6.681 1.485 -10.086 1.00 0.00 C ATOM 998 CD GLN A 63 -6.671 0.416 -11.167 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.963 -0.679 -10.929 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -7.276 0.585 -12.224 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.601 2.292 -8.245 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.347 2.706 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.733 0.275 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.484 0.276 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.586 2.085 -10.185 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.836 2.156 -10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.811 1.440 -12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.242 -0.130 -12.951 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.704 0.960 -5.557 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.816 0.342 -4.248 1.00 0.00 C ATOM 1011 C TRP A 64 -6.341 1.338 -3.227 1.00 0.00 C ATOM 1012 O TRP A 64 -7.121 0.972 -2.365 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.491 -0.257 -3.770 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.581 -0.827 -2.388 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.743 -0.580 -1.344 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.595 -1.707 -1.887 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.162 -1.263 -0.230 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.297 -1.958 -0.537 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.724 -2.307 -2.450 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.089 -2.779 0.257 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.508 -3.120 -1.660 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.188 -3.348 -0.319 1.00 0.00 C ATOM 0 H TRP A 64 -4.749 1.080 -5.894 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.527 -0.479 -4.346 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.180 -1.040 -4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.720 0.513 -3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.874 0.061 -1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.701 -1.253 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.978 -2.137 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.844 -2.960 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.384 -3.588 -2.084 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.824 -3.988 0.274 1.00 0.00 H new ATOM 1033 N PHE A 65 -5.933 2.594 -3.333 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.454 3.628 -2.443 1.00 0.00 C ATOM 1035 C PHE A 65 -7.977 3.667 -2.515 1.00 0.00 C ATOM 1036 O PHE A 65 -8.662 3.680 -1.485 1.00 0.00 O ATOM 1037 CB PHE A 65 -5.859 4.998 -2.782 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.606 5.319 -2.009 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.618 4.367 -1.827 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.425 6.576 -1.455 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.475 4.664 -1.110 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.284 6.879 -0.738 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.309 5.920 -0.564 1.00 0.00 C ATOM 0 H PHE A 65 -5.251 2.922 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.160 3.382 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.637 5.035 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.605 5.768 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.742 3.381 -2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.187 7.330 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.711 3.912 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.156 7.864 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.417 6.152 -0.001 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.500 3.648 -3.735 1.00 0.00 N ATOM 1054 CA GLU A 66 -9.945 3.592 -3.944 1.00 0.00 C ATOM 1055 C GLU A 66 -10.502 2.267 -3.415 1.00 0.00 C ATOM 1056 O GLU A 66 -11.485 2.228 -2.660 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.267 3.713 -5.436 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.547 4.854 -6.132 1.00 0.00 C ATOM 1059 CD GLU A 66 -9.831 4.897 -7.619 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.708 3.845 -8.282 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.183 5.981 -8.135 1.00 0.00 O ATOM 0 H GLU A 66 -7.949 3.670 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.405 4.421 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.007 2.777 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.342 3.848 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.848 5.799 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.473 4.753 -5.973 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.846 1.182 -3.806 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.311 -0.157 -3.475 1.00 0.00 C ATOM 1070 C HIS A 67 -10.295 -0.410 -1.976 1.00 0.00 C ATOM 1071 O HIS A 67 -11.246 -0.953 -1.450 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.482 -1.229 -4.192 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.726 -1.297 -5.669 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.150 -2.245 -6.489 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.481 -0.515 -6.475 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.541 -2.039 -7.735 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.348 -0.995 -7.752 1.00 0.00 N ATOM 0 H HIS A 67 -8.987 1.205 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.343 -0.221 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.424 -1.034 -4.017 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.704 -2.201 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.078 0.331 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.249 -2.626 -8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -10.799 -0.608 -8.581 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.229 -0.006 -1.294 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.080 -0.283 0.133 1.00 0.00 C ATOM 1088 C GLN A 68 -10.182 0.390 0.936 1.00 0.00 C ATOM 1089 O GLN A 68 -10.657 -0.166 1.933 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.706 0.160 0.647 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.486 1.662 0.654 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.112 2.039 1.160 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.516 1.324 1.962 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.607 3.177 0.716 1.00 0.00 N ATOM 0 H GLN A 68 -8.454 0.515 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.162 -1.362 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.573 -0.218 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.936 -0.304 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.618 2.051 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.243 2.135 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.133 3.743 0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.691 3.489 1.039 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.593 1.579 0.491 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.728 2.269 1.090 1.00 0.00 C ATOM 1105 C GLU A 69 -12.937 1.335 1.117 1.00 0.00 C ATOM 1106 O GLU A 69 -13.647 1.237 2.117 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.057 3.540 0.292 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.259 4.321 0.810 1.00 0.00 C ATOM 1109 CD GLU A 69 -12.976 5.054 2.106 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.101 4.440 3.187 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -12.644 6.257 2.053 1.00 0.00 O ATOM 0 H GLU A 69 -10.155 2.081 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.475 2.557 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.185 4.194 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.240 3.264 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.571 5.040 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.093 3.635 0.961 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.142 0.621 0.017 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.304 -0.255 -0.121 1.00 0.00 C ATOM 1120 C ARG A 70 -13.931 -1.743 -0.218 1.00 0.00 C ATOM 1121 O ARG A 70 -14.694 -2.539 -0.768 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.112 0.178 -1.347 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.272 0.358 -2.601 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.943 1.297 -3.593 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.166 2.625 -3.018 1.00 0.00 N ATOM 1126 CZ ARG A 70 -14.757 3.764 -3.568 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -14.106 3.763 -4.727 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -15.004 4.913 -2.953 1.00 0.00 N ATOM 0 H ARG A 70 -12.521 0.630 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.903 -0.154 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.885 -0.565 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.620 1.116 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.293 0.753 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.106 -0.611 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.323 1.386 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.896 0.872 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.671 2.680 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.915 2.882 -5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.797 4.643 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.505 4.918 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.693 5.791 -3.369 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.786 -2.136 0.341 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.345 -3.528 0.222 1.00 0.00 C ATOM 1144 C LYS A 71 -12.563 -4.295 1.516 1.00 0.00 C ATOM 1145 O LYS A 71 -13.675 -4.747 1.785 1.00 0.00 O ATOM 1146 CB LYS A 71 -10.882 -3.608 -0.226 1.00 0.00 C ATOM 1147 CG LYS A 71 -10.427 -5.007 -0.616 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.279 -5.589 -1.737 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.298 -4.684 -2.958 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.069 -5.280 -4.080 1.00 0.00 N ATOM 0 H LYS A 71 -12.160 -1.528 0.869 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.958 -4.000 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.736 -2.940 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.246 -3.242 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.384 -4.975 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.476 -5.661 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.892 -6.569 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.298 -5.739 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.734 -3.722 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.275 -4.491 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.652 -4.545 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.411 -5.677 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.684 -6.036 -3.716 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.511 -4.448 2.319 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.665 -4.995 3.666 1.00 0.00 C ATOM 1166 C LEU A 72 -12.613 -4.127 4.491 1.00 0.00 C ATOM 1167 O LEU A 72 -13.061 -4.529 5.561 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.324 -5.173 4.424 1.00 0.00 C ATOM 1169 CG LEU A 72 -9.089 -4.359 3.978 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.526 -4.887 2.667 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -9.378 -2.861 3.896 1.00 0.00 C ATOM 0 H LEU A 72 -10.554 -4.204 2.065 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.086 -5.992 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.508 -4.941 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.056 -6.228 4.373 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.329 -4.490 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.658 -4.294 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.229 -5.928 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.287 -4.817 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.478 -2.334 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.176 -2.683 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.686 -2.496 4.876 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.898 -2.925 3.971 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.780 -1.959 4.623 1.00 0.00 C ATOM 1185 C HIS A 73 -13.175 -1.553 5.957 1.00 0.00 C ATOM 1186 O HIS A 73 -13.847 -1.017 6.833 1.00 0.00 O ATOM 1187 CB HIS A 73 -15.185 -2.546 4.814 1.00 0.00 C ATOM 1188 CG HIS A 73 -16.273 -1.514 4.883 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -17.051 -1.179 3.797 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -16.714 -0.748 5.909 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -17.922 -0.252 4.151 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -17.739 0.027 5.429 1.00 0.00 N ATOM 0 H HIS A 73 -12.519 -2.598 3.082 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.878 -1.076 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.397 -3.229 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.200 -3.136 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.330 -0.747 6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -18.659 0.201 3.505 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -18.272 0.707 5.970 1.00 0.00 H new ATOM 1201 N GLY A 74 -11.880 -1.801 6.072 1.00 0.00 N ATOM 1202 CA GLY A 74 -11.171 -1.531 7.311 1.00 0.00 C ATOM 1203 C GLY A 74 -10.995 -0.051 7.557 1.00 0.00 C ATOM 1204 O GLY A 74 -10.764 0.368 8.691 1.00 0.00 O ATOM 0 H GLY A 74 -11.301 -2.187 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.717 -1.974 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.193 -2.011 7.280 1.00 0.00 H new ATOM 1208 N THR A 75 -11.104 0.721 6.475 1.00 0.00 N ATOM 1209 CA THR A 75 -10.983 2.186 6.474 1.00 0.00 C ATOM 1210 C THR A 75 -9.591 2.650 6.888 1.00 0.00 C ATOM 1211 O THR A 75 -8.914 2.034 7.712 1.00 0.00 O ATOM 1212 CB THR A 75 -12.055 2.919 7.321 1.00 0.00 C ATOM 1213 OG1 THR A 75 -11.954 2.579 8.710 1.00 0.00 O ATOM 1214 CG2 THR A 75 -13.458 2.601 6.819 1.00 0.00 C ATOM 0 H THR A 75 -11.284 0.337 5.547 1.00 0.00 H new ATOM 0 HA THR A 75 -11.160 2.465 5.435 1.00 0.00 H new ATOM 0 HB THR A 75 -11.870 3.988 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.204 1.962 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.191 3.128 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.554 2.920 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.634 1.527 6.886 1.00 0.00 H new ATOM 1222 N LEU A 76 -9.172 3.742 6.289 1.00 0.00 N ATOM 1223 CA LEU A 76 -7.836 4.249 6.444 1.00 0.00 C ATOM 1224 C LEU A 76 -7.887 5.613 7.112 1.00 0.00 C ATOM 1225 O LEU A 76 -8.977 6.116 7.404 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.194 4.359 5.058 1.00 0.00 C ATOM 1227 CG LEU A 76 -6.749 3.042 4.408 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -5.707 2.348 5.265 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -7.928 2.117 4.135 1.00 0.00 C ATOM 0 H LEU A 76 -9.759 4.306 5.675 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.245 3.578 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.904 4.847 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.326 5.013 5.134 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.300 3.288 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.405 1.416 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.838 2.997 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.129 2.132 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.569 1.196 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.431 1.882 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.629 2.610 3.461 1.00 0.00 H new ATOM 1241 N PRO A 77 -6.719 6.204 7.413 1.00 0.00 N ATOM 1242 CA PRO A 77 -6.620 7.606 7.804 1.00 0.00 C ATOM 1243 C PRO A 77 -7.527 8.510 6.971 1.00 0.00 C ATOM 1244 O PRO A 77 -7.495 8.472 5.736 1.00 0.00 O ATOM 1245 CB PRO A 77 -5.173 7.910 7.504 1.00 0.00 C ATOM 1246 CG PRO A 77 -4.457 6.649 7.831 1.00 0.00 C ATOM 1247 CD PRO A 77 -5.396 5.540 7.444 1.00 0.00 C ATOM 0 HA PRO A 77 -6.924 7.777 8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.033 8.187 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.808 8.742 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.518 6.577 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.210 6.602 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.137 5.115 6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.373 4.724 8.166 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.337 9.314 7.641 1.00 0.00 N ATOM 1256 CA LYS A 78 -9.268 10.196 6.959 1.00 0.00 C ATOM 1257 C LYS A 78 -8.531 11.406 6.396 1.00 0.00 C ATOM 1258 O LYS A 78 -8.499 12.476 7.006 1.00 0.00 O ATOM 1259 CB LYS A 78 -10.391 10.628 7.914 1.00 0.00 C ATOM 1260 CG LYS A 78 -11.441 11.546 7.296 1.00 0.00 C ATOM 1261 CD LYS A 78 -12.069 10.942 6.050 1.00 0.00 C ATOM 1262 CE LYS A 78 -13.326 11.694 5.630 1.00 0.00 C ATOM 1263 NZ LYS A 78 -13.094 13.156 5.457 1.00 0.00 N ATOM 0 H LYS A 78 -8.368 9.373 8.659 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.721 9.657 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.888 9.736 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.945 11.134 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.220 11.751 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.982 12.502 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.346 10.958 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.316 9.897 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.698 11.277 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.103 11.540 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.928 13.589 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.931 13.594 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.261 13.306 4.852 1.00 0.00 H new ATOM 1277 N LEU A 79 -7.892 11.212 5.252 1.00 0.00 N ATOM 1278 CA LEU A 79 -7.204 12.299 4.574 1.00 0.00 C ATOM 1279 C LEU A 79 -7.698 12.467 3.154 1.00 0.00 C ATOM 1280 O LEU A 79 -7.364 13.440 2.475 1.00 0.00 O ATOM 1281 CB LEU A 79 -5.686 12.097 4.615 1.00 0.00 C ATOM 1282 CG LEU A 79 -5.189 10.674 4.334 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -5.247 10.346 2.850 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -3.778 10.507 4.865 1.00 0.00 C ATOM 0 H LEU A 79 -7.836 10.312 4.774 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.433 13.221 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.230 12.770 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.326 12.399 5.599 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.849 9.975 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.887 9.330 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.276 10.427 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.619 11.046 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.431 9.494 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.118 11.222 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.771 10.685 5.940 1.00 0.00 H new ATOM 1296 N ASN A 80 -8.510 11.513 2.741 1.00 0.00 N ATOM 1297 CA ASN A 80 -9.090 11.468 1.402 1.00 0.00 C ATOM 1298 C ASN A 80 -8.018 11.200 0.365 1.00 0.00 C ATOM 1299 O ASN A 80 -7.003 11.888 0.289 1.00 0.00 O ATOM 1300 CB ASN A 80 -9.877 12.744 1.068 1.00 0.00 C ATOM 1301 CG ASN A 80 -11.251 12.801 1.728 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -11.958 11.675 1.771 1.00 0.00 O flip ATOM 1303 ND2 ASN A 80 -11.698 13.860 2.160 1.00 0.00 N flip ATOM 0 H ASN A 80 -8.793 10.732 3.333 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.803 10.644 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.296 13.612 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.999 12.814 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.134 14.708 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.634 13.891 2.565 1.00 0.00 H new ATOM 1310 N PHE A 81 -8.259 10.196 -0.448 1.00 0.00 N ATOM 1311 CA PHE A 81 -7.229 9.665 -1.311 1.00 0.00 C ATOM 1312 C PHE A 81 -7.327 10.269 -2.707 1.00 0.00 C ATOM 1313 O PHE A 81 -6.657 9.825 -3.641 1.00 0.00 O ATOM 1314 CB PHE A 81 -7.349 8.145 -1.385 1.00 0.00 C ATOM 1315 CG PHE A 81 -7.821 7.496 -0.114 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -6.958 7.326 0.957 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -9.127 7.048 0.005 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -7.389 6.721 2.122 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -9.562 6.442 1.167 1.00 0.00 C ATOM 1320 CZ PHE A 81 -8.693 6.279 2.227 1.00 0.00 C ATOM 0 H PHE A 81 -9.163 9.730 -0.529 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.257 9.928 -0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.039 7.886 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.378 7.729 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.937 7.670 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.812 7.174 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.707 6.594 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.582 6.096 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.032 5.807 3.137 1.00 0.00 H new ATOM 1330 N GLY A 82 -8.142 11.307 -2.832 1.00 0.00 N ATOM 1331 CA GLY A 82 -8.379 11.931 -4.121 1.00 0.00 C ATOM 1332 C GLY A 82 -7.157 12.626 -4.686 1.00 0.00 C ATOM 1333 O GLY A 82 -7.128 12.973 -5.866 1.00 0.00 O ATOM 0 H GLY A 82 -8.649 11.733 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.716 11.172 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.187 12.656 -4.023 1.00 0.00 H new ATOM 1337 N MET A 83 -6.140 12.826 -3.857 1.00 0.00 N ATOM 1338 CA MET A 83 -4.919 13.483 -4.308 1.00 0.00 C ATOM 1339 C MET A 83 -4.035 12.502 -5.071 1.00 0.00 C ATOM 1340 O MET A 83 -3.101 12.901 -5.768 1.00 0.00 O ATOM 1341 CB MET A 83 -4.141 14.084 -3.127 1.00 0.00 C ATOM 1342 CG MET A 83 -3.291 13.086 -2.345 1.00 0.00 C ATOM 1343 SD MET A 83 -4.260 11.784 -1.555 1.00 0.00 S ATOM 1344 CE MET A 83 -2.957 10.814 -0.794 1.00 0.00 C ATOM 0 H MET A 83 -6.135 12.545 -2.876 1.00 0.00 H new ATOM 0 HA MET A 83 -5.206 14.295 -4.976 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.493 14.876 -3.503 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.850 14.550 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.566 12.631 -3.019 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.725 13.621 -1.582 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.935 9.820 -1.240 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.997 11.305 -0.954 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.146 10.727 0.276 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.339 11.219 -4.936 1.00 0.00 N ATOM 1355 CA LEU A 84 -3.556 10.177 -5.589 1.00 0.00 C ATOM 1356 C LEU A 84 -4.397 9.424 -6.618 1.00 0.00 C ATOM 1357 O LEU A 84 -3.856 8.819 -7.545 1.00 0.00 O ATOM 1358 CB LEU A 84 -3.008 9.190 -4.553 1.00 0.00 C ATOM 1359 CG LEU A 84 -1.984 8.185 -5.090 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -0.673 8.878 -5.415 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.762 7.062 -4.093 1.00 0.00 C ATOM 0 H LEU A 84 -5.122 10.874 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.724 10.658 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.548 9.756 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.844 8.638 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.380 7.753 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.041 8.147 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.844 9.645 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.273 9.341 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.031 6.359 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.391 7.476 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.704 6.543 -3.913 1.00 0.00 H new ATOM 1373 N ARG A 85 -5.718 9.474 -6.452 1.00 0.00 N ATOM 1374 CA ARG A 85 -6.640 8.747 -7.324 1.00 0.00 C ATOM 1375 C ARG A 85 -6.406 9.057 -8.795 1.00 0.00 C ATOM 1376 O ARG A 85 -6.695 10.162 -9.256 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.095 9.064 -6.973 1.00 0.00 C ATOM 1378 CG ARG A 85 -8.589 8.404 -5.697 1.00 0.00 C ATOM 1379 CD ARG A 85 -10.085 8.617 -5.514 1.00 0.00 C ATOM 1380 NE ARG A 85 -10.853 8.057 -6.627 1.00 0.00 N ATOM 1381 CZ ARG A 85 -11.996 8.560 -7.088 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -12.552 9.619 -6.508 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -12.585 7.986 -8.132 1.00 0.00 N ATOM 0 H ARG A 85 -6.176 10.014 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.445 7.687 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.206 10.144 -6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.732 8.751 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.372 7.336 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.053 8.813 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.407 8.154 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.293 9.684 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.486 7.221 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.103 10.054 -5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.428 9.997 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.161 7.169 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.461 8.363 -8.494 1.00 0.00 H new ATOM 1397 N LYS A 86 -5.859 8.070 -9.511 1.00 0.00 N ATOM 1398 CA LYS A 86 -5.628 8.163 -10.952 1.00 0.00 C ATOM 1399 C LYS A 86 -4.646 9.290 -11.262 1.00 0.00 C ATOM 1400 O LYS A 86 -4.492 9.715 -12.412 1.00 0.00 O ATOM 1401 CB LYS A 86 -6.959 8.368 -11.685 1.00 0.00 C ATOM 1402 CG LYS A 86 -8.013 7.330 -11.317 1.00 0.00 C ATOM 1403 CD LYS A 86 -7.621 5.936 -11.783 1.00 0.00 C ATOM 1404 CE LYS A 86 -8.278 4.851 -10.940 1.00 0.00 C ATOM 1405 NZ LYS A 86 -9.742 5.057 -10.788 1.00 0.00 N ATOM 0 H LYS A 86 -5.564 7.182 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.186 7.230 -11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.343 9.362 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.783 8.333 -12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.156 7.325 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.968 7.607 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.907 5.808 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.537 5.828 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.097 3.879 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.813 4.830 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.209 4.138 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.923 5.665 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.119 5.512 -11.644 1.00 0.00 H new ATOM 1419 N MET A 87 -3.967 9.747 -10.222 1.00 0.00 N ATOM 1420 CA MET A 87 -3.034 10.848 -10.325 1.00 0.00 C ATOM 1421 C MET A 87 -1.613 10.316 -10.359 1.00 0.00 C ATOM 1422 O MET A 87 -0.747 10.837 -11.063 1.00 0.00 O ATOM 1423 CB MET A 87 -3.212 11.780 -9.131 1.00 0.00 C ATOM 1424 CG MET A 87 -2.734 13.195 -9.383 1.00 0.00 C ATOM 1425 SD MET A 87 -3.683 14.017 -10.679 1.00 0.00 S ATOM 1426 CE MET A 87 -5.337 13.938 -9.989 1.00 0.00 C ATOM 0 H MET A 87 -4.051 9.361 -9.282 1.00 0.00 H new ATOM 0 HA MET A 87 -3.227 11.401 -11.244 1.00 0.00 H new ATOM 0 HB2 MET A 87 -4.267 11.806 -8.857 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.671 11.370 -8.278 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.808 13.771 -8.461 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.681 13.176 -9.663 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.958 14.711 -10.442 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.770 12.959 -10.193 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.290 14.096 -8.912 1.00 0.00 H new ATOM 1436 N GLY A 88 -1.395 9.264 -9.594 1.00 0.00 N ATOM 1437 CA GLY A 88 -0.108 8.620 -9.537 1.00 0.00 C ATOM 1438 C GLY A 88 -0.233 7.247 -8.927 1.00 0.00 C ATOM 1439 O GLY A 88 0.575 6.363 -9.265 1.00 0.00 O ATOM 1440 OXT GLY A 88 -1.161 7.052 -8.122 1.00 0.00 O ATOM 0 H GLY A 88 -2.105 8.837 -8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.311 8.542 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.582 9.225 -8.949 1.00 0.00 H new TER 1444 GLY A 88