USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 160:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.21) USER MOD Single : A 17 THR OG1 : rot 102:sc= 0.616 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -92:sc= 0.72 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -160:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -178:sc= 0 (180deg=-0.00314) USER MOD Single : A 43 SER OG : rot -73:sc= 0.268 USER MOD Single : A 45 THR OG1 : rot 86:sc= 0.0945 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.125 -6.727 -22.788 1.00 0.00 N ATOM 2 CA THR A 1 -17.552 -6.335 -21.476 1.00 0.00 C ATOM 3 C THR A 1 -16.887 -7.567 -20.763 1.00 0.00 C ATOM 4 O THR A 1 -17.418 -8.678 -20.896 1.00 0.00 O ATOM 5 CB THR A 1 -18.633 -5.669 -20.546 1.00 0.00 C ATOM 6 OG1 THR A 1 -19.583 -6.644 -20.115 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.455 -4.463 -21.069 1.00 0.00 C ATOM 0 H1 THR A 1 -18.558 -5.896 -23.240 1.00 0.00 H new ATOM 0 H2 THR A 1 -17.370 -7.099 -23.399 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.848 -7.461 -22.646 1.00 0.00 H new ATOM 0 HA THR A 1 -16.779 -5.591 -21.667 1.00 0.00 H new ATOM 0 HB THR A 1 -17.996 -5.258 -19.762 1.00 0.00 H new ATOM 0 HG1 THR A 1 -20.043 -6.320 -19.312 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.150 -4.134 -20.297 1.00 0.00 H new ATOM 0 HG22 THR A 1 -18.780 -3.645 -21.322 1.00 0.00 H new ATOM 0 HG23 THR A 1 -20.013 -4.761 -21.957 1.00 0.00 H new ATOM 17 N PRO A 2 -15.787 -7.439 -19.951 1.00 0.00 N ATOM 18 CA PRO A 2 -15.210 -8.574 -19.177 1.00 0.00 C ATOM 19 C PRO A 2 -16.148 -8.990 -17.999 1.00 0.00 C ATOM 20 O PRO A 2 -16.439 -8.183 -17.110 1.00 0.00 O ATOM 21 CB PRO A 2 -13.850 -7.995 -18.704 1.00 0.00 C ATOM 22 CG PRO A 2 -14.075 -6.485 -18.604 1.00 0.00 C ATOM 23 CD PRO A 2 -15.051 -6.173 -19.739 1.00 0.00 C ATOM 0 HA PRO A 2 -15.092 -9.495 -19.749 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.556 -8.415 -17.742 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.054 -8.229 -19.411 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.490 -6.208 -17.635 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.141 -5.935 -18.720 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.727 -5.361 -19.470 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.524 -5.864 -20.642 1.00 0.00 H new ATOM 31 N ASP A 3 -16.671 -10.233 -18.067 1.00 0.00 N ATOM 32 CA ASP A 3 -17.763 -10.745 -17.196 1.00 0.00 C ATOM 33 C ASP A 3 -19.060 -9.884 -17.259 1.00 0.00 C ATOM 34 O ASP A 3 -19.184 -8.861 -16.577 1.00 0.00 O ATOM 35 CB ASP A 3 -17.214 -11.061 -15.782 1.00 0.00 C ATOM 36 CG ASP A 3 -18.128 -11.942 -14.920 1.00 0.00 C ATOM 37 OD1 ASP A 3 -18.002 -13.185 -14.978 1.00 0.00 O ATOM 38 OD2 ASP A 3 -18.980 -11.393 -14.188 1.00 0.00 O ATOM 0 H ASP A 3 -16.343 -10.926 -18.740 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.115 -11.698 -17.590 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.248 -11.555 -15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.038 -10.122 -15.258 1.00 0.00 H new ATOM 43 N VAL A 4 -19.997 -10.315 -18.119 1.00 0.00 N ATOM 44 CA VAL A 4 -21.188 -9.516 -18.504 1.00 0.00 C ATOM 45 C VAL A 4 -22.318 -9.654 -17.442 1.00 0.00 C ATOM 46 O VAL A 4 -22.452 -8.789 -16.572 1.00 0.00 O ATOM 47 CB VAL A 4 -21.532 -9.790 -20.021 1.00 0.00 C ATOM 48 CG1 VAL A 4 -21.973 -11.222 -20.427 1.00 0.00 C ATOM 49 CG2 VAL A 4 -22.539 -8.763 -20.573 1.00 0.00 C ATOM 0 H VAL A 4 -19.956 -11.228 -18.572 1.00 0.00 H new ATOM 0 HA VAL A 4 -20.998 -8.443 -18.478 1.00 0.00 H new ATOM 0 HB VAL A 4 -20.552 -9.678 -20.485 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -22.174 -11.251 -21.498 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -21.179 -11.929 -20.187 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -22.877 -11.493 -19.881 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -22.750 -8.986 -21.619 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -23.463 -8.814 -19.998 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -22.117 -7.761 -20.493 1.00 0.00 H new ATOM 59 N SER A 5 -23.122 -10.727 -17.541 1.00 0.00 N ATOM 60 CA SER A 5 -24.391 -10.912 -16.775 1.00 0.00 C ATOM 61 C SER A 5 -25.391 -9.712 -16.874 1.00 0.00 C ATOM 62 O SER A 5 -25.763 -9.112 -15.860 1.00 0.00 O ATOM 63 CB SER A 5 -24.084 -11.398 -15.335 1.00 0.00 C ATOM 64 OG SER A 5 -25.270 -11.827 -14.678 1.00 0.00 O ATOM 0 H SER A 5 -22.915 -11.509 -18.162 1.00 0.00 H new ATOM 0 HA SER A 5 -24.955 -11.708 -17.262 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.366 -12.218 -15.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.620 -10.592 -14.766 1.00 0.00 H new ATOM 0 HG SER A 5 -25.051 -12.130 -13.772 1.00 0.00 H new ATOM 70 N SER A 6 -25.787 -9.352 -18.118 1.00 0.00 N ATOM 71 CA SER A 6 -26.597 -8.135 -18.422 1.00 0.00 C ATOM 72 C SER A 6 -25.928 -6.793 -17.965 1.00 0.00 C ATOM 73 O SER A 6 -26.462 -6.081 -17.108 1.00 0.00 O ATOM 74 CB SER A 6 -28.075 -8.297 -17.977 1.00 0.00 C ATOM 75 OG SER A 6 -28.711 -9.364 -18.673 1.00 0.00 O ATOM 0 H SER A 6 -25.555 -9.897 -18.948 1.00 0.00 H new ATOM 0 HA SER A 6 -26.621 -8.047 -19.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.115 -8.485 -16.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.616 -7.368 -18.159 1.00 0.00 H new ATOM 0 HG SER A 6 -29.640 -9.444 -18.371 1.00 0.00 H new ATOM 81 N ALA A 7 -24.754 -6.457 -18.545 1.00 0.00 N ATOM 82 CA ALA A 7 -24.006 -5.215 -18.207 1.00 0.00 C ATOM 83 C ALA A 7 -24.573 -3.954 -18.917 1.00 0.00 C ATOM 84 O ALA A 7 -24.993 -3.025 -18.225 1.00 0.00 O ATOM 85 CB ALA A 7 -22.500 -5.417 -18.470 1.00 0.00 C ATOM 0 H ALA A 7 -24.298 -7.030 -19.255 1.00 0.00 H new ATOM 0 HA ALA A 7 -24.142 -5.023 -17.143 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.961 -4.503 -18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -22.130 -6.237 -17.854 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -22.343 -5.654 -19.522 1.00 0.00 H new ATOM 91 N LEU A 8 -24.621 -3.927 -20.266 1.00 0.00 N ATOM 92 CA LEU A 8 -25.288 -2.846 -21.041 1.00 0.00 C ATOM 93 C LEU A 8 -26.853 -2.880 -21.110 1.00 0.00 C ATOM 94 O LEU A 8 -27.432 -1.901 -21.586 1.00 0.00 O ATOM 95 CB LEU A 8 -24.637 -2.808 -22.463 1.00 0.00 C ATOM 96 CG LEU A 8 -23.516 -1.761 -22.723 1.00 0.00 C ATOM 97 CD1 LEU A 8 -24.020 -0.305 -22.659 1.00 0.00 C ATOM 98 CD2 LEU A 8 -22.272 -1.956 -21.836 1.00 0.00 C ATOM 0 H LEU A 8 -24.201 -4.649 -20.852 1.00 0.00 H new ATOM 0 HA LEU A 8 -25.116 -1.922 -20.489 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -24.226 -3.796 -22.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -25.431 -2.635 -23.190 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.202 -1.950 -23.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -23.190 0.376 -22.849 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -24.793 -0.154 -23.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -24.434 -0.106 -21.670 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -21.533 -1.191 -22.073 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -22.557 -1.874 -20.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -21.845 -2.942 -22.020 1.00 0.00 H new ATOM 110 N ASP A 9 -27.543 -3.939 -20.636 1.00 0.00 N ATOM 111 CA ASP A 9 -29.022 -3.943 -20.465 1.00 0.00 C ATOM 112 C ASP A 9 -29.453 -3.279 -19.117 1.00 0.00 C ATOM 113 O ASP A 9 -30.197 -2.294 -19.160 1.00 0.00 O ATOM 114 CB ASP A 9 -29.544 -5.389 -20.684 1.00 0.00 C ATOM 115 CG ASP A 9 -31.073 -5.531 -20.705 1.00 0.00 C ATOM 116 OD1 ASP A 9 -31.689 -5.290 -21.767 1.00 0.00 O ATOM 117 OD2 ASP A 9 -31.661 -5.881 -19.658 1.00 0.00 O ATOM 0 H ASP A 9 -27.098 -4.815 -20.360 1.00 0.00 H new ATOM 0 HA ASP A 9 -29.497 -3.316 -21.220 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -29.146 -5.764 -21.627 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.146 -6.026 -19.895 1.00 0.00 H new ATOM 122 N LYS A 10 -28.990 -3.782 -17.950 1.00 0.00 N ATOM 123 CA LYS A 10 -29.267 -3.155 -16.622 1.00 0.00 C ATOM 124 C LYS A 10 -28.633 -1.736 -16.460 1.00 0.00 C ATOM 125 O LYS A 10 -29.363 -0.784 -16.170 1.00 0.00 O ATOM 126 CB LYS A 10 -28.845 -4.084 -15.448 1.00 0.00 C ATOM 127 CG LYS A 10 -29.597 -5.432 -15.347 1.00 0.00 C ATOM 128 CD LYS A 10 -29.271 -6.265 -14.089 1.00 0.00 C ATOM 129 CE LYS A 10 -27.829 -6.804 -14.023 1.00 0.00 C ATOM 130 NZ LYS A 10 -27.618 -7.653 -12.836 1.00 0.00 N ATOM 0 H LYS A 10 -28.419 -4.625 -17.894 1.00 0.00 H new ATOM 0 HA LYS A 10 -30.348 -3.019 -16.584 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -27.779 -4.291 -15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -28.985 -3.541 -14.513 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.669 -5.236 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.365 -6.028 -16.230 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -29.455 -5.651 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -29.961 -7.108 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -27.614 -7.378 -14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -27.129 -5.969 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -26.637 -7.997 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.799 -7.098 -11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -28.269 -8.463 -12.869 1.00 0.00 H new ATOM 144 N LEU A 11 -27.307 -1.599 -16.674 1.00 0.00 N ATOM 145 CA LEU A 11 -26.615 -0.290 -16.716 1.00 0.00 C ATOM 146 C LEU A 11 -26.445 0.122 -18.213 1.00 0.00 C ATOM 147 O LEU A 11 -25.371 -0.053 -18.796 1.00 0.00 O ATOM 148 CB LEU A 11 -25.269 -0.373 -15.936 1.00 0.00 C ATOM 149 CG LEU A 11 -25.317 -0.704 -14.415 1.00 0.00 C ATOM 150 CD1 LEU A 11 -23.888 -0.858 -13.856 1.00 0.00 C ATOM 151 CD2 LEU A 11 -26.100 0.330 -13.578 1.00 0.00 C ATOM 0 H LEU A 11 -26.684 -2.393 -16.823 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.198 0.486 -16.221 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.649 -1.127 -16.421 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.758 0.583 -16.052 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.859 -1.646 -14.328 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -23.937 -1.089 -12.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.377 -1.666 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.339 0.072 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.090 0.032 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.634 1.310 -13.681 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -27.130 0.379 -13.931 1.00 0.00 H new ATOM 163 N LYS A 12 -27.513 0.659 -18.841 1.00 0.00 N ATOM 164 CA LYS A 12 -27.478 1.124 -20.259 1.00 0.00 C ATOM 165 C LYS A 12 -26.728 2.473 -20.473 1.00 0.00 C ATOM 166 O LYS A 12 -25.798 2.515 -21.285 1.00 0.00 O ATOM 167 CB LYS A 12 -28.887 1.035 -20.911 1.00 0.00 C ATOM 168 CG LYS A 12 -30.013 1.916 -20.320 1.00 0.00 C ATOM 169 CD LYS A 12 -31.381 1.669 -20.986 1.00 0.00 C ATOM 170 CE LYS A 12 -32.495 2.546 -20.388 1.00 0.00 C ATOM 171 NZ LYS A 12 -33.792 2.290 -21.040 1.00 0.00 N ATOM 0 H LYS A 12 -28.420 0.785 -18.391 1.00 0.00 H new ATOM 0 HA LYS A 12 -26.849 0.426 -20.811 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.784 1.287 -21.966 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -29.214 -0.004 -20.862 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -30.095 1.722 -19.250 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -29.743 2.966 -20.434 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -31.302 1.867 -22.055 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -31.651 0.619 -20.875 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -32.579 2.351 -19.319 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -32.231 3.598 -20.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -34.521 2.897 -20.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -33.717 2.500 -22.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -34.054 1.292 -20.911 1.00 0.00 H new ATOM 185 N GLU A 13 -27.083 3.540 -19.729 1.00 0.00 N ATOM 186 CA GLU A 13 -26.280 4.795 -19.671 1.00 0.00 C ATOM 187 C GLU A 13 -24.936 4.668 -18.885 1.00 0.00 C ATOM 188 O GLU A 13 -23.909 5.131 -19.383 1.00 0.00 O ATOM 189 CB GLU A 13 -27.152 5.998 -19.210 1.00 0.00 C ATOM 190 CG GLU A 13 -27.731 5.954 -17.774 1.00 0.00 C ATOM 191 CD GLU A 13 -28.564 7.186 -17.419 1.00 0.00 C ATOM 192 OE1 GLU A 13 -29.761 7.232 -17.782 1.00 0.00 O ATOM 193 OE2 GLU A 13 -28.028 8.110 -16.770 1.00 0.00 O ATOM 0 H GLU A 13 -27.925 3.565 -19.154 1.00 0.00 H new ATOM 0 HA GLU A 13 -25.959 4.996 -20.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -26.552 6.903 -19.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -27.985 6.095 -19.906 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -28.349 5.063 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -26.911 5.861 -17.062 1.00 0.00 H new ATOM 200 N PHE A 14 -24.934 4.049 -17.685 1.00 0.00 N ATOM 201 CA PHE A 14 -23.720 3.922 -16.826 1.00 0.00 C ATOM 202 C PHE A 14 -22.664 2.881 -17.318 1.00 0.00 C ATOM 203 O PHE A 14 -21.467 3.139 -17.172 1.00 0.00 O ATOM 204 CB PHE A 14 -24.118 3.669 -15.342 1.00 0.00 C ATOM 205 CG PHE A 14 -24.991 4.755 -14.680 1.00 0.00 C ATOM 206 CD1 PHE A 14 -24.442 5.996 -14.339 1.00 0.00 C ATOM 207 CD2 PHE A 14 -26.353 4.522 -14.452 1.00 0.00 C ATOM 208 CE1 PHE A 14 -25.245 6.992 -13.791 1.00 0.00 C ATOM 209 CE2 PHE A 14 -27.154 5.520 -13.903 1.00 0.00 C ATOM 210 CZ PHE A 14 -26.601 6.754 -13.576 1.00 0.00 C ATOM 0 H PHE A 14 -25.767 3.622 -17.279 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.212 4.883 -16.907 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.650 2.720 -15.286 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.206 3.558 -14.756 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.391 6.182 -14.502 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.784 3.564 -14.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.817 7.949 -13.532 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -28.204 5.336 -13.731 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.224 7.529 -13.155 1.00 0.00 H new ATOM 220 N GLY A 15 -23.072 1.749 -17.930 1.00 0.00 N ATOM 221 CA GLY A 15 -22.147 0.894 -18.722 1.00 0.00 C ATOM 222 C GLY A 15 -21.672 1.443 -20.094 1.00 0.00 C ATOM 223 O GLY A 15 -20.597 1.040 -20.540 1.00 0.00 O ATOM 0 H GLY A 15 -24.031 1.403 -17.894 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.265 0.697 -18.113 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.637 -0.065 -18.893 1.00 0.00 H new ATOM 227 N ASN A 16 -22.410 2.381 -20.729 1.00 0.00 N ATOM 228 CA ASN A 16 -21.836 3.331 -21.720 1.00 0.00 C ATOM 229 C ASN A 16 -21.155 4.537 -20.959 1.00 0.00 C ATOM 230 O ASN A 16 -20.697 4.366 -19.824 1.00 0.00 O ATOM 231 CB ASN A 16 -22.988 3.679 -22.716 1.00 0.00 C ATOM 232 CG ASN A 16 -22.529 4.257 -24.072 1.00 0.00 C ATOM 233 OD1 ASN A 16 -21.693 3.679 -24.768 1.00 0.00 O ATOM 234 ND2 ASN A 16 -23.073 5.392 -24.480 1.00 0.00 N ATOM 0 H ASN A 16 -23.411 2.504 -20.574 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.022 2.923 -22.319 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -23.571 2.777 -22.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.655 4.398 -22.239 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -22.801 5.795 -25.377 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -23.765 5.864 -23.898 1.00 0.00 H new ATOM 241 N THR A 17 -21.070 5.748 -21.559 1.00 0.00 N ATOM 242 CA THR A 17 -20.656 7.006 -20.882 1.00 0.00 C ATOM 243 C THR A 17 -19.153 7.023 -20.446 1.00 0.00 C ATOM 244 O THR A 17 -18.312 7.465 -21.234 1.00 0.00 O ATOM 245 CB THR A 17 -21.759 7.530 -19.905 1.00 0.00 C ATOM 246 OG1 THR A 17 -23.018 7.597 -20.575 1.00 0.00 O ATOM 247 CG2 THR A 17 -21.475 8.940 -19.391 1.00 0.00 C ATOM 0 H THR A 17 -21.291 5.883 -22.546 1.00 0.00 H new ATOM 0 HA THR A 17 -20.618 7.817 -21.609 1.00 0.00 H new ATOM 0 HB THR A 17 -21.769 6.830 -19.070 1.00 0.00 H new ATOM 0 HG1 THR A 17 -23.567 6.827 -20.318 1.00 0.00 H new ATOM 0 HG21 THR A 17 -22.274 9.250 -18.718 1.00 0.00 H new ATOM 0 HG22 THR A 17 -20.526 8.948 -18.855 1.00 0.00 H new ATOM 0 HG23 THR A 17 -21.422 9.630 -20.233 1.00 0.00 H new ATOM 255 N LEU A 18 -18.808 6.515 -19.243 1.00 0.00 N ATOM 256 CA LEU A 18 -17.393 6.246 -18.840 1.00 0.00 C ATOM 257 C LEU A 18 -16.620 5.062 -19.518 1.00 0.00 C ATOM 258 O LEU A 18 -15.418 4.894 -19.294 1.00 0.00 O ATOM 259 CB LEU A 18 -17.275 6.216 -17.286 1.00 0.00 C ATOM 260 CG LEU A 18 -18.001 5.067 -16.516 1.00 0.00 C ATOM 261 CD1 LEU A 18 -17.265 4.718 -15.208 1.00 0.00 C ATOM 262 CD2 LEU A 18 -19.476 5.395 -16.193 1.00 0.00 C ATOM 0 H LEU A 18 -19.490 6.278 -18.522 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.854 7.095 -19.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.216 6.170 -17.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.653 7.164 -16.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.987 4.209 -17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.795 3.915 -14.695 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.250 4.394 -15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.229 5.597 -14.565 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.926 4.559 -15.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.522 6.290 -15.572 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.022 5.568 -17.121 1.00 0.00 H new ATOM 274 N GLU A 19 -17.303 4.303 -20.382 1.00 0.00 N ATOM 275 CA GLU A 19 -16.692 3.334 -21.327 1.00 0.00 C ATOM 276 C GLU A 19 -16.026 4.045 -22.545 1.00 0.00 C ATOM 277 O GLU A 19 -14.825 3.860 -22.759 1.00 0.00 O ATOM 278 CB GLU A 19 -17.790 2.313 -21.712 1.00 0.00 C ATOM 279 CG GLU A 19 -17.349 1.110 -22.568 1.00 0.00 C ATOM 280 CD GLU A 19 -18.520 0.184 -22.916 1.00 0.00 C ATOM 281 OE1 GLU A 19 -19.316 0.527 -23.819 1.00 0.00 O ATOM 282 OE2 GLU A 19 -18.655 -0.886 -22.282 1.00 0.00 O ATOM 0 H GLU A 19 -18.320 4.339 -20.453 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.866 2.799 -20.859 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.236 1.931 -20.794 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.574 2.844 -22.251 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.888 1.471 -23.488 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.588 0.544 -22.031 1.00 0.00 H new ATOM 289 N ASP A 20 -16.788 4.866 -23.306 1.00 0.00 N ATOM 290 CA ASP A 20 -16.244 5.719 -24.400 1.00 0.00 C ATOM 291 C ASP A 20 -15.198 6.791 -23.947 1.00 0.00 C ATOM 292 O ASP A 20 -14.180 6.950 -24.626 1.00 0.00 O ATOM 293 CB ASP A 20 -17.439 6.334 -25.180 1.00 0.00 C ATOM 294 CG ASP A 20 -17.063 6.980 -26.522 1.00 0.00 C ATOM 295 OD1 ASP A 20 -16.940 6.250 -27.531 1.00 0.00 O ATOM 296 OD2 ASP A 20 -16.882 8.217 -26.569 1.00 0.00 O ATOM 0 H ASP A 20 -17.796 4.959 -23.182 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.657 5.078 -25.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.177 5.553 -25.362 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.918 7.085 -24.552 1.00 0.00 H new ATOM 301 N LYS A 21 -15.421 7.488 -22.813 1.00 0.00 N ATOM 302 CA LYS A 21 -14.426 8.391 -22.179 1.00 0.00 C ATOM 303 C LYS A 21 -13.051 7.743 -21.818 1.00 0.00 C ATOM 304 O LYS A 21 -12.020 8.340 -22.129 1.00 0.00 O ATOM 305 CB LYS A 21 -15.142 8.975 -20.936 1.00 0.00 C ATOM 306 CG LYS A 21 -14.521 10.251 -20.341 1.00 0.00 C ATOM 307 CD LYS A 21 -15.377 10.820 -19.194 1.00 0.00 C ATOM 308 CE LYS A 21 -15.246 10.058 -17.860 1.00 0.00 C ATOM 309 NZ LYS A 21 -16.077 10.669 -16.808 1.00 0.00 N ATOM 0 H LYS A 21 -16.304 7.442 -22.304 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.128 9.155 -22.897 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.177 9.188 -21.204 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.165 8.209 -20.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.519 10.030 -19.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.415 11.003 -21.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.099 11.861 -19.032 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.423 10.814 -19.500 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.542 9.019 -18.002 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.203 10.051 -17.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.967 10.133 -15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.777 11.653 -16.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.075 10.652 -17.100 1.00 0.00 H new ATOM 323 N ALA A 22 -13.026 6.545 -21.193 1.00 0.00 N ATOM 324 CA ALA A 22 -11.767 5.830 -20.849 1.00 0.00 C ATOM 325 C ALA A 22 -10.900 5.363 -22.054 1.00 0.00 C ATOM 326 O ALA A 22 -9.703 5.659 -22.068 1.00 0.00 O ATOM 327 CB ALA A 22 -12.105 4.653 -19.923 1.00 0.00 C ATOM 0 H ALA A 22 -13.870 6.045 -20.912 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.132 6.561 -20.348 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.190 4.120 -19.663 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.577 5.028 -19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.788 3.974 -20.433 1.00 0.00 H new ATOM 333 N ARG A 23 -11.483 4.688 -23.069 1.00 0.00 N ATOM 334 CA ARG A 23 -10.779 4.387 -24.354 1.00 0.00 C ATOM 335 C ARG A 23 -10.237 5.620 -25.150 1.00 0.00 C ATOM 336 O ARG A 23 -9.125 5.548 -25.679 1.00 0.00 O ATOM 337 CB ARG A 23 -11.598 3.408 -25.229 1.00 0.00 C ATOM 338 CG ARG A 23 -12.946 3.924 -25.780 1.00 0.00 C ATOM 339 CD ARG A 23 -13.804 2.837 -26.439 1.00 0.00 C ATOM 340 NE ARG A 23 -13.308 2.452 -27.784 1.00 0.00 N ATOM 341 CZ ARG A 23 -13.893 1.532 -28.576 1.00 0.00 C ATOM 342 NH1 ARG A 23 -14.993 0.856 -28.246 1.00 0.00 N ATOM 343 NH2 ARG A 23 -13.343 1.286 -29.751 1.00 0.00 N ATOM 0 H ARG A 23 -12.440 4.337 -23.032 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.860 3.885 -24.051 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.978 3.109 -26.074 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.793 2.510 -24.642 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.512 4.375 -24.965 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.752 4.712 -26.508 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.823 1.956 -25.797 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.831 3.192 -26.523 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.468 2.915 -28.132 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.443 1.023 -27.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.385 0.172 -28.893 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.501 1.786 -30.035 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.760 0.595 -30.375 1.00 0.00 H new ATOM 357 N GLU A 24 -10.986 6.742 -25.186 1.00 0.00 N ATOM 358 CA GLU A 24 -10.501 8.053 -25.698 1.00 0.00 C ATOM 359 C GLU A 24 -9.316 8.683 -24.889 1.00 0.00 C ATOM 360 O GLU A 24 -8.371 9.174 -25.515 1.00 0.00 O ATOM 361 CB GLU A 24 -11.737 8.996 -25.773 1.00 0.00 C ATOM 362 CG GLU A 24 -11.511 10.338 -26.500 1.00 0.00 C ATOM 363 CD GLU A 24 -12.767 11.211 -26.502 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.964 11.988 -25.541 1.00 0.00 O ATOM 365 OE2 GLU A 24 -13.566 11.123 -27.461 1.00 0.00 O ATOM 0 H GLU A 24 -11.952 6.770 -24.860 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.060 7.899 -26.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.547 8.465 -26.273 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.073 9.206 -24.758 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.696 10.878 -26.018 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.202 10.146 -27.528 1.00 0.00 H new ATOM 372 N LEU A 25 -9.363 8.685 -23.538 1.00 0.00 N ATOM 373 CA LEU A 25 -8.299 9.287 -22.682 1.00 0.00 C ATOM 374 C LEU A 25 -6.968 8.479 -22.665 1.00 0.00 C ATOM 375 O LEU A 25 -5.916 9.082 -22.879 1.00 0.00 O ATOM 376 CB LEU A 25 -8.849 9.579 -21.251 1.00 0.00 C ATOM 377 CG LEU A 25 -9.424 11.006 -21.004 1.00 0.00 C ATOM 378 CD1 LEU A 25 -10.642 11.378 -21.875 1.00 0.00 C ATOM 379 CD2 LEU A 25 -9.778 11.197 -19.516 1.00 0.00 C ATOM 0 H LEU A 25 -10.131 8.274 -23.007 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.027 10.238 -23.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.632 8.853 -21.032 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.045 9.407 -20.535 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.624 11.684 -21.302 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.969 12.388 -21.630 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.364 11.332 -22.928 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.454 10.677 -21.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.178 12.199 -19.363 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.525 10.459 -19.222 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.882 11.067 -18.909 1.00 0.00 H new ATOM 391 N ILE A 26 -6.991 7.145 -22.450 1.00 0.00 N ATOM 392 CA ILE A 26 -5.776 6.276 -22.509 1.00 0.00 C ATOM 393 C ILE A 26 -5.113 6.265 -23.935 1.00 0.00 C ATOM 394 O ILE A 26 -3.892 6.411 -23.994 1.00 0.00 O ATOM 395 CB ILE A 26 -6.101 4.866 -21.880 1.00 0.00 C ATOM 396 CG1 ILE A 26 -6.185 4.859 -20.317 1.00 0.00 C ATOM 397 CG2 ILE A 26 -5.090 3.749 -22.262 1.00 0.00 C ATOM 398 CD1 ILE A 26 -7.299 5.666 -19.630 1.00 0.00 C ATOM 0 H ILE A 26 -7.846 6.634 -22.231 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.986 6.699 -21.889 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.080 4.658 -22.312 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.284 3.822 -19.997 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.231 5.221 -19.934 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.386 2.813 -21.789 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.081 3.621 -23.344 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.093 4.028 -21.921 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.215 5.554 -18.549 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.202 6.719 -19.895 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.271 5.298 -19.959 1.00 0.00 H new ATOM 410 N SER A 27 -5.868 6.134 -25.050 1.00 0.00 N ATOM 411 CA SER A 27 -5.312 6.298 -26.431 1.00 0.00 C ATOM 412 C SER A 27 -4.599 7.654 -26.755 1.00 0.00 C ATOM 413 O SER A 27 -3.561 7.644 -27.425 1.00 0.00 O ATOM 414 CB SER A 27 -6.393 5.969 -27.486 1.00 0.00 C ATOM 415 OG SER A 27 -7.434 6.943 -27.517 1.00 0.00 O ATOM 0 H SER A 27 -6.864 5.915 -25.030 1.00 0.00 H new ATOM 0 HA SER A 27 -4.496 5.577 -26.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.929 5.905 -28.470 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.821 4.990 -27.271 1.00 0.00 H new ATOM 0 HG SER A 27 -8.157 6.668 -26.916 1.00 0.00 H new ATOM 421 N ARG A 28 -5.127 8.793 -26.260 1.00 0.00 N ATOM 422 CA ARG A 28 -4.442 10.116 -26.312 1.00 0.00 C ATOM 423 C ARG A 28 -3.137 10.197 -25.450 1.00 0.00 C ATOM 424 O ARG A 28 -2.106 10.648 -25.957 1.00 0.00 O ATOM 425 CB ARG A 28 -5.494 11.196 -25.932 1.00 0.00 C ATOM 426 CG ARG A 28 -5.046 12.659 -26.137 1.00 0.00 C ATOM 427 CD ARG A 28 -6.138 13.668 -25.727 1.00 0.00 C ATOM 428 NE ARG A 28 -5.687 15.074 -25.877 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.845 15.826 -26.987 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.417 15.390 -28.108 1.00 0.00 N ATOM 431 NH2 ARG A 28 -5.401 17.069 -26.962 1.00 0.00 N ATOM 0 H ARG A 28 -6.042 8.829 -25.811 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.073 10.288 -27.323 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.395 11.024 -26.521 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.767 11.061 -24.885 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.144 12.846 -25.554 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.786 12.814 -27.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.027 13.506 -26.337 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.425 13.489 -24.691 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.221 15.506 -25.079 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.768 14.434 -28.163 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.504 16.012 -28.911 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.954 17.434 -26.121 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.505 17.664 -27.784 1.00 0.00 H new ATOM 445 N ILE A 29 -3.188 9.765 -24.172 1.00 0.00 N ATOM 446 CA ILE A 29 -2.055 9.827 -23.208 1.00 0.00 C ATOM 447 C ILE A 29 -0.967 8.773 -23.601 1.00 0.00 C ATOM 448 O ILE A 29 0.040 9.162 -24.198 1.00 0.00 O ATOM 449 CB ILE A 29 -2.670 9.845 -21.752 1.00 0.00 C ATOM 450 CG1 ILE A 29 -3.139 11.261 -21.285 1.00 0.00 C ATOM 451 CG2 ILE A 29 -1.747 9.305 -20.631 1.00 0.00 C ATOM 452 CD1 ILE A 29 -4.254 11.967 -22.071 1.00 0.00 C ATOM 0 H ILE A 29 -4.030 9.355 -23.768 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.464 10.742 -23.237 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.517 9.170 -21.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.469 11.175 -20.250 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.267 11.915 -21.289 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.265 9.362 -19.674 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.487 8.268 -20.842 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.838 9.905 -20.588 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.460 12.937 -21.618 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.937 12.109 -23.104 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.157 11.357 -22.049 1.00 0.00 H new ATOM 464 N LYS A 30 -1.154 7.474 -23.283 1.00 0.00 N ATOM 465 CA LYS A 30 -0.120 6.404 -23.456 1.00 0.00 C ATOM 466 C LYS A 30 1.239 6.742 -22.757 1.00 0.00 C ATOM 467 O LYS A 30 2.261 6.953 -23.417 1.00 0.00 O ATOM 468 CB LYS A 30 0.048 5.942 -24.937 1.00 0.00 C ATOM 469 CG LYS A 30 -1.195 5.379 -25.669 1.00 0.00 C ATOM 470 CD LYS A 30 -1.856 4.117 -25.070 1.00 0.00 C ATOM 471 CE LYS A 30 -0.983 2.849 -25.112 1.00 0.00 C ATOM 472 NZ LYS A 30 -1.703 1.684 -24.566 1.00 0.00 N ATOM 0 H LYS A 30 -2.030 7.125 -22.895 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.511 5.536 -22.926 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.418 6.791 -25.512 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.825 5.178 -24.962 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.947 6.167 -25.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.909 5.155 -26.697 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.125 4.322 -24.034 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.784 3.920 -25.607 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.684 2.645 -26.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.069 3.015 -24.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.089 0.846 -24.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.967 1.871 -23.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.562 1.513 -25.127 1.00 0.00 H new ATOM 486 N GLN A 31 1.213 6.850 -21.409 1.00 0.00 N ATOM 487 CA GLN A 31 2.339 7.354 -20.581 1.00 0.00 C ATOM 488 C GLN A 31 2.816 8.799 -20.964 1.00 0.00 C ATOM 489 O GLN A 31 3.943 8.982 -21.435 1.00 0.00 O ATOM 490 CB GLN A 31 3.446 6.268 -20.468 1.00 0.00 C ATOM 491 CG GLN A 31 4.354 6.450 -19.241 1.00 0.00 C ATOM 492 CD GLN A 31 5.572 5.513 -19.210 1.00 0.00 C ATOM 493 OE1 GLN A 31 5.534 4.436 -18.617 1.00 0.00 O ATOM 494 NE2 GLN A 31 6.676 5.900 -19.831 1.00 0.00 N ATOM 0 H GLN A 31 0.398 6.586 -20.855 1.00 0.00 H new ATOM 0 HA GLN A 31 1.979 7.517 -19.565 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.977 5.285 -20.422 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.058 6.287 -21.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.704 7.482 -19.212 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.763 6.288 -18.339 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.699 6.795 -20.320 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.503 5.303 -19.820 1.00 0.00 H new ATOM 503 N SER A 32 1.936 9.806 -20.775 1.00 0.00 N ATOM 504 CA SER A 32 2.222 11.223 -21.149 1.00 0.00 C ATOM 505 C SER A 32 1.723 12.178 -20.033 1.00 0.00 C ATOM 506 O SER A 32 2.469 12.375 -19.071 1.00 0.00 O ATOM 507 CB SER A 32 1.749 11.519 -22.595 1.00 0.00 C ATOM 508 OG SER A 32 2.153 12.820 -23.002 1.00 0.00 O ATOM 0 H SER A 32 1.013 9.670 -20.363 1.00 0.00 H new ATOM 0 HA SER A 32 3.295 11.410 -21.197 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.162 10.775 -23.277 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.664 11.436 -22.652 1.00 0.00 H new ATOM 0 HG SER A 32 1.846 12.986 -23.918 1.00 0.00 H new ATOM 514 N GLU A 33 0.491 12.736 -20.095 1.00 0.00 N ATOM 515 CA GLU A 33 -0.138 13.419 -18.919 1.00 0.00 C ATOM 516 C GLU A 33 -0.609 12.490 -17.737 1.00 0.00 C ATOM 517 O GLU A 33 -1.045 13.003 -16.702 1.00 0.00 O ATOM 518 CB GLU A 33 -1.237 14.365 -19.469 1.00 0.00 C ATOM 519 CG GLU A 33 -1.753 15.460 -18.508 1.00 0.00 C ATOM 520 CD GLU A 33 -2.773 16.389 -19.173 1.00 0.00 C ATOM 521 OE1 GLU A 33 -3.979 16.060 -19.175 1.00 0.00 O ATOM 522 OE2 GLU A 33 -2.371 17.452 -19.697 1.00 0.00 O ATOM 0 H GLU A 33 -0.089 12.732 -20.934 1.00 0.00 H new ATOM 0 HA GLU A 33 0.635 13.992 -18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.850 14.852 -20.364 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.086 13.756 -19.779 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.209 14.989 -17.637 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.910 16.050 -18.147 1.00 0.00 H new ATOM 529 N LEU A 34 -0.424 11.153 -17.826 1.00 0.00 N ATOM 530 CA LEU A 34 -0.326 10.265 -16.632 1.00 0.00 C ATOM 531 C LEU A 34 1.036 10.456 -15.897 1.00 0.00 C ATOM 532 O LEU A 34 1.053 10.637 -14.676 1.00 0.00 O ATOM 533 CB LEU A 34 -0.610 8.797 -17.084 1.00 0.00 C ATOM 534 CG LEU A 34 -0.511 7.610 -16.077 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.924 7.071 -15.897 1.00 0.00 C ATOM 536 CD2 LEU A 34 -1.174 7.875 -14.709 1.00 0.00 C ATOM 0 H LEU A 34 -0.339 10.658 -18.714 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.078 10.531 -15.889 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.618 8.780 -17.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.075 8.578 -17.903 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.097 6.826 -16.557 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.916 6.247 -15.183 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.302 6.717 -16.856 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.568 7.868 -15.525 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.058 6.998 -14.072 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.699 8.733 -14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.235 8.081 -14.853 1.00 0.00 H new ATOM 548 N SER A 35 2.151 10.416 -16.648 1.00 0.00 N ATOM 549 CA SER A 35 3.515 10.604 -16.111 1.00 0.00 C ATOM 550 C SER A 35 3.849 12.123 -16.015 1.00 0.00 C ATOM 551 O SER A 35 3.347 12.756 -15.083 1.00 0.00 O ATOM 552 CB SER A 35 4.452 9.716 -16.961 1.00 0.00 C ATOM 553 OG SER A 35 4.243 8.336 -16.686 1.00 0.00 O ATOM 0 H SER A 35 2.133 10.251 -17.654 1.00 0.00 H new ATOM 0 HA SER A 35 3.639 10.273 -15.080 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.278 9.909 -18.020 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.490 9.977 -16.755 1.00 0.00 H new ATOM 0 HG SER A 35 5.027 7.823 -16.974 1.00 0.00 H new ATOM 559 N ALA A 36 4.666 12.701 -16.932 1.00 0.00 N ATOM 560 CA ALA A 36 5.122 14.134 -16.883 1.00 0.00 C ATOM 561 C ALA A 36 6.214 14.383 -15.798 1.00 0.00 C ATOM 562 O ALA A 36 7.383 14.595 -16.137 1.00 0.00 O ATOM 563 CB ALA A 36 3.970 15.168 -16.907 1.00 0.00 C ATOM 0 H ALA A 36 5.035 12.192 -17.735 1.00 0.00 H new ATOM 0 HA ALA A 36 5.629 14.317 -17.830 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.384 16.175 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.392 15.048 -17.823 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.321 15.010 -16.046 1.00 0.00 H new ATOM 569 N LYS A 37 5.840 14.291 -14.505 1.00 0.00 N ATOM 570 CA LYS A 37 6.806 14.133 -13.380 1.00 0.00 C ATOM 571 C LYS A 37 7.516 12.741 -13.381 1.00 0.00 C ATOM 572 O LYS A 37 8.741 12.706 -13.229 1.00 0.00 O ATOM 573 CB LYS A 37 6.074 14.460 -12.045 1.00 0.00 C ATOM 574 CG LYS A 37 6.955 14.631 -10.783 1.00 0.00 C ATOM 575 CD LYS A 37 7.292 13.326 -10.028 1.00 0.00 C ATOM 576 CE LYS A 37 8.135 13.572 -8.765 1.00 0.00 C ATOM 577 NZ LYS A 37 8.450 12.308 -8.074 1.00 0.00 N ATOM 0 H LYS A 37 4.866 14.323 -14.204 1.00 0.00 H new ATOM 0 HA LYS A 37 7.624 14.842 -13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.504 15.378 -12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.354 13.665 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.888 15.113 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.448 15.308 -10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.366 12.823 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.832 12.654 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.060 14.080 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.595 14.234 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.019 12.508 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.567 11.836 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.987 11.687 -8.713 1.00 0.00 H new ATOM 591 N MET A 38 6.783 11.620 -13.577 1.00 0.00 N ATOM 592 CA MET A 38 7.399 10.278 -13.790 1.00 0.00 C ATOM 593 C MET A 38 8.315 10.145 -15.051 1.00 0.00 C ATOM 594 O MET A 38 9.259 9.362 -14.975 1.00 0.00 O ATOM 595 CB MET A 38 6.357 9.129 -13.800 1.00 0.00 C ATOM 596 CG MET A 38 5.434 8.977 -12.580 1.00 0.00 C ATOM 597 SD MET A 38 6.376 8.859 -11.036 1.00 0.00 S ATOM 598 CE MET A 38 7.133 7.222 -11.154 1.00 0.00 C ATOM 0 H MET A 38 5.763 11.613 -13.593 1.00 0.00 H new ATOM 0 HA MET A 38 8.048 10.182 -12.919 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.727 9.258 -14.680 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.897 8.191 -13.929 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.756 9.829 -12.528 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.818 8.086 -12.699 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.707 7.020 -10.249 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.354 6.468 -11.265 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.796 7.189 -12.019 1.00 0.00 H new ATOM 608 N ARG A 39 8.095 10.885 -16.165 1.00 0.00 N ATOM 609 CA ARG A 39 9.059 10.943 -17.310 1.00 0.00 C ATOM 610 C ARG A 39 10.462 11.550 -16.983 1.00 0.00 C ATOM 611 O ARG A 39 11.461 11.042 -17.500 1.00 0.00 O ATOM 612 CB ARG A 39 8.455 11.650 -18.555 1.00 0.00 C ATOM 613 CG ARG A 39 7.201 11.024 -19.216 1.00 0.00 C ATOM 614 CD ARG A 39 7.221 9.511 -19.532 1.00 0.00 C ATOM 615 NE ARG A 39 8.332 9.099 -20.436 1.00 0.00 N ATOM 616 CZ ARG A 39 8.200 8.816 -21.747 1.00 0.00 C ATOM 617 NH1 ARG A 39 7.049 8.870 -22.414 1.00 0.00 N ATOM 618 NH2 ARG A 39 9.284 8.463 -22.414 1.00 0.00 N ATOM 0 H ARG A 39 7.259 11.454 -16.302 1.00 0.00 H new ATOM 0 HA ARG A 39 9.235 9.891 -17.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.206 12.672 -18.269 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.235 11.712 -19.314 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.349 11.217 -18.564 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.015 11.557 -20.149 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.301 8.955 -18.598 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.271 9.232 -19.989 1.00 0.00 H new ATOM 0 HE ARG A 39 9.265 9.025 -20.031 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.192 9.140 -21.931 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.024 8.642 -23.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.183 8.412 -21.935 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.222 8.242 -23.408 1.00 0.00 H new ATOM 632 N GLU A 40 10.550 12.581 -16.115 1.00 0.00 N ATOM 633 CA GLU A 40 11.835 13.030 -15.494 1.00 0.00 C ATOM 634 C GLU A 40 12.559 11.930 -14.643 1.00 0.00 C ATOM 635 O GLU A 40 13.765 11.727 -14.809 1.00 0.00 O ATOM 636 CB GLU A 40 11.613 14.314 -14.653 1.00 0.00 C ATOM 637 CG GLU A 40 11.115 15.558 -15.424 1.00 0.00 C ATOM 638 CD GLU A 40 10.801 16.734 -14.496 1.00 0.00 C ATOM 639 OE1 GLU A 40 9.661 16.812 -13.985 1.00 0.00 O ATOM 640 OE2 GLU A 40 11.691 17.583 -14.272 1.00 0.00 O ATOM 0 H GLU A 40 9.742 13.129 -15.820 1.00 0.00 H new ATOM 0 HA GLU A 40 12.506 13.246 -16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.893 14.088 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.552 14.569 -14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.873 15.861 -16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.221 15.297 -15.990 1.00 0.00 H new ATOM 647 N TRP A 41 11.813 11.203 -13.783 1.00 0.00 N ATOM 648 CA TRP A 41 12.291 9.971 -13.096 1.00 0.00 C ATOM 649 C TRP A 41 12.708 8.789 -14.034 1.00 0.00 C ATOM 650 O TRP A 41 13.672 8.105 -13.693 1.00 0.00 O ATOM 651 CB TRP A 41 11.188 9.583 -12.069 1.00 0.00 C ATOM 652 CG TRP A 41 11.444 8.348 -11.196 1.00 0.00 C ATOM 653 CD1 TRP A 41 11.923 8.344 -9.871 1.00 0.00 C ATOM 654 CD2 TRP A 41 11.172 7.024 -11.499 1.00 0.00 C ATOM 655 NE1 TRP A 41 11.951 7.044 -9.332 1.00 0.00 N ATOM 656 CE2 TRP A 41 11.470 6.244 -10.356 1.00 0.00 C ATOM 657 CE3 TRP A 41 10.687 6.410 -12.685 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.259 4.844 -10.379 1.00 0.00 C ATOM 659 CZ3 TRP A 41 10.500 5.028 -12.685 1.00 0.00 C ATOM 660 CH2 TRP A 41 10.779 4.257 -11.550 1.00 0.00 C ATOM 0 H TRP A 41 10.854 11.452 -13.540 1.00 0.00 H new ATOM 0 HA TRP A 41 13.236 10.190 -12.600 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.027 10.435 -11.409 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.259 9.423 -12.616 1.00 0.00 H new ATOM 0 HD1 TRP A 41 12.231 9.230 -9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.255 6.757 -8.402 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.469 6.998 -13.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.466 4.242 -9.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.133 4.543 -13.578 1.00 0.00 H new ATOM 0 HH2 TRP A 41 10.620 3.189 -11.582 1.00 0.00 H new ATOM 671 N PHE A 42 12.018 8.513 -15.164 1.00 0.00 N ATOM 672 CA PHE A 42 12.467 7.500 -16.169 1.00 0.00 C ATOM 673 C PHE A 42 13.781 7.890 -16.919 1.00 0.00 C ATOM 674 O PHE A 42 14.594 7.008 -17.205 1.00 0.00 O ATOM 675 CB PHE A 42 11.355 7.182 -17.211 1.00 0.00 C ATOM 676 CG PHE A 42 10.203 6.265 -16.759 1.00 0.00 C ATOM 677 CD1 PHE A 42 10.441 4.904 -16.530 1.00 0.00 C ATOM 678 CD2 PHE A 42 8.895 6.753 -16.665 1.00 0.00 C ATOM 679 CE1 PHE A 42 9.390 4.053 -16.194 1.00 0.00 C ATOM 680 CE2 PHE A 42 7.850 5.907 -16.306 1.00 0.00 C ATOM 681 CZ PHE A 42 8.097 4.558 -16.073 1.00 0.00 C ATOM 0 H PHE A 42 11.143 8.976 -15.411 1.00 0.00 H new ATOM 0 HA PHE A 42 12.681 6.608 -15.580 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.924 8.127 -17.542 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.828 6.725 -18.080 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.444 4.512 -16.614 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.695 7.794 -16.873 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.578 3.003 -16.027 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.848 6.298 -16.208 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.285 3.901 -15.798 1.00 0.00 H new ATOM 691 N SER A 43 13.990 9.189 -17.220 1.00 0.00 N ATOM 692 CA SER A 43 15.274 9.714 -17.758 1.00 0.00 C ATOM 693 C SER A 43 16.286 10.022 -16.608 1.00 0.00 C ATOM 694 O SER A 43 16.515 11.177 -16.239 1.00 0.00 O ATOM 695 CB SER A 43 14.983 10.917 -18.689 1.00 0.00 C ATOM 696 OG SER A 43 14.359 12.000 -18.005 1.00 0.00 O ATOM 0 H SER A 43 13.276 9.908 -17.099 1.00 0.00 H new ATOM 0 HA SER A 43 15.767 8.955 -18.365 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.917 11.262 -19.133 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.342 10.591 -19.508 1.00 0.00 H new ATOM 0 HG SER A 43 13.427 11.770 -17.809 1.00 0.00 H new ATOM 702 N GLU A 44 16.838 8.938 -16.023 1.00 0.00 N ATOM 703 CA GLU A 44 17.416 8.890 -14.644 1.00 0.00 C ATOM 704 C GLU A 44 17.463 7.372 -14.257 1.00 0.00 C ATOM 705 O GLU A 44 18.550 6.807 -14.110 1.00 0.00 O ATOM 706 CB GLU A 44 16.693 9.779 -13.571 1.00 0.00 C ATOM 707 CG GLU A 44 17.134 9.634 -12.098 1.00 0.00 C ATOM 708 CD GLU A 44 16.194 10.369 -11.139 1.00 0.00 C ATOM 709 OE1 GLU A 44 15.193 9.764 -10.693 1.00 0.00 O ATOM 710 OE2 GLU A 44 16.447 11.555 -10.830 1.00 0.00 O ATOM 0 H GLU A 44 16.900 8.040 -16.503 1.00 0.00 H new ATOM 0 HA GLU A 44 18.409 9.340 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.823 10.822 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.626 9.565 -13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.168 8.577 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 44 18.145 10.024 -11.983 1.00 0.00 H new ATOM 717 N THR A 45 16.284 6.743 -14.061 1.00 0.00 N ATOM 718 CA THR A 45 16.136 5.376 -13.482 1.00 0.00 C ATOM 719 C THR A 45 15.980 4.217 -14.529 1.00 0.00 C ATOM 720 O THR A 45 16.089 3.059 -14.115 1.00 0.00 O ATOM 721 CB THR A 45 14.956 5.425 -12.457 1.00 0.00 C ATOM 722 OG1 THR A 45 15.123 6.497 -11.527 1.00 0.00 O ATOM 723 CG2 THR A 45 14.749 4.161 -11.606 1.00 0.00 C ATOM 0 H THR A 45 15.390 7.171 -14.302 1.00 0.00 H new ATOM 0 HA THR A 45 17.072 5.117 -12.987 1.00 0.00 H new ATOM 0 HB THR A 45 14.087 5.547 -13.104 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.749 7.320 -11.906 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.905 4.310 -10.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.547 3.312 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.648 3.964 -11.022 1.00 0.00 H new ATOM 731 N PHE A 46 15.742 4.469 -15.840 1.00 0.00 N ATOM 732 CA PHE A 46 15.482 3.394 -16.837 1.00 0.00 C ATOM 733 C PHE A 46 16.837 2.827 -17.335 1.00 0.00 C ATOM 734 O PHE A 46 17.624 3.443 -18.059 1.00 0.00 O ATOM 735 CB PHE A 46 14.590 3.901 -17.986 1.00 0.00 C ATOM 736 CG PHE A 46 13.953 2.819 -18.877 1.00 0.00 C ATOM 737 CD1 PHE A 46 12.752 2.213 -18.492 1.00 0.00 C ATOM 738 CD2 PHE A 46 14.555 2.442 -20.084 1.00 0.00 C ATOM 739 CE1 PHE A 46 12.171 1.233 -19.291 1.00 0.00 C ATOM 740 CE2 PHE A 46 13.968 1.463 -20.883 1.00 0.00 C ATOM 741 CZ PHE A 46 12.780 0.855 -20.484 1.00 0.00 C ATOM 0 H PHE A 46 15.724 5.409 -16.235 1.00 0.00 H new ATOM 0 HA PHE A 46 14.927 2.583 -16.367 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.791 4.507 -17.558 1.00 0.00 H new ATOM 0 HB3 PHE A 46 15.186 4.559 -18.618 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.273 2.507 -17.570 1.00 0.00 H new ATOM 0 HD2 PHE A 46 15.476 2.911 -20.396 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.247 0.765 -18.985 1.00 0.00 H new ATOM 0 HE2 PHE A 46 14.435 1.175 -21.813 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.331 0.090 -21.101 1.00 0.00 H new ATOM 751 N GLN A 47 17.047 1.641 -16.791 1.00 0.00 N ATOM 752 CA GLN A 47 18.367 0.994 -16.537 1.00 0.00 C ATOM 753 C GLN A 47 18.161 -0.061 -15.405 1.00 0.00 C ATOM 754 O GLN A 47 18.366 -1.252 -15.654 1.00 0.00 O ATOM 755 CB GLN A 47 19.636 1.885 -16.347 1.00 0.00 C ATOM 756 CG GLN A 47 19.622 2.985 -15.255 1.00 0.00 C ATOM 757 CD GLN A 47 20.915 3.815 -15.222 1.00 0.00 C ATOM 758 OE1 GLN A 47 21.910 3.420 -14.615 1.00 0.00 O ATOM 759 NE2 GLN A 47 20.930 4.974 -15.862 1.00 0.00 N ATOM 0 H GLN A 47 16.270 1.052 -16.490 1.00 0.00 H new ATOM 0 HA GLN A 47 18.653 0.535 -17.483 1.00 0.00 H new ATOM 0 HB2 GLN A 47 20.475 1.222 -16.137 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.844 2.370 -17.301 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.775 3.649 -15.427 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.470 2.520 -14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.099 5.291 -16.362 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.772 5.549 -15.855 1.00 0.00 H new ATOM 768 N LYS A 48 17.702 0.346 -14.196 1.00 0.00 N ATOM 769 CA LYS A 48 17.115 -0.576 -13.187 1.00 0.00 C ATOM 770 C LYS A 48 15.728 -1.140 -13.638 1.00 0.00 C ATOM 771 O LYS A 48 15.586 -2.362 -13.695 1.00 0.00 O ATOM 772 CB LYS A 48 17.070 0.167 -11.825 1.00 0.00 C ATOM 773 CG LYS A 48 16.658 -0.708 -10.622 1.00 0.00 C ATOM 774 CD LYS A 48 16.604 0.090 -9.303 1.00 0.00 C ATOM 775 CE LYS A 48 16.191 -0.760 -8.072 1.00 0.00 C ATOM 776 NZ LYS A 48 14.753 -1.095 -8.071 1.00 0.00 N ATOM 0 H LYS A 48 17.727 1.319 -13.892 1.00 0.00 H new ATOM 0 HA LYS A 48 17.741 -1.462 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.054 0.592 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.373 1.001 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.681 -1.150 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.365 -1.531 -10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.583 0.531 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.900 0.914 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.775 -1.680 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.434 -0.214 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.529 -1.663 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.193 -0.219 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.523 -1.639 -8.927 1.00 0.00 H new ATOM 790 N VAL A 49 14.746 -0.275 -14.000 1.00 0.00 N ATOM 791 CA VAL A 49 13.448 -0.696 -14.632 1.00 0.00 C ATOM 792 C VAL A 49 13.625 -1.596 -15.903 1.00 0.00 C ATOM 793 O VAL A 49 12.927 -2.603 -16.043 1.00 0.00 O ATOM 794 CB VAL A 49 12.499 0.502 -15.000 1.00 0.00 C ATOM 795 CG1 VAL A 49 11.029 0.053 -15.196 1.00 0.00 C ATOM 796 CG2 VAL A 49 12.494 1.713 -14.035 1.00 0.00 C ATOM 0 H VAL A 49 14.822 0.733 -13.867 1.00 0.00 H new ATOM 0 HA VAL A 49 12.979 -1.286 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 49 12.944 0.847 -15.934 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.415 0.918 -15.449 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.976 -0.678 -16.003 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.660 -0.397 -14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.799 2.468 -14.402 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.183 1.386 -13.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.496 2.138 -13.980 1.00 0.00 H new ATOM 806 N LYS A 50 14.549 -1.211 -16.805 1.00 0.00 N ATOM 807 CA LYS A 50 14.898 -1.972 -18.021 1.00 0.00 C ATOM 808 C LYS A 50 15.420 -3.428 -17.783 1.00 0.00 C ATOM 809 O LYS A 50 15.005 -4.328 -18.513 1.00 0.00 O ATOM 810 CB LYS A 50 15.913 -1.068 -18.770 1.00 0.00 C ATOM 811 CG LYS A 50 16.371 -1.545 -20.155 1.00 0.00 C ATOM 812 CD LYS A 50 17.354 -0.548 -20.810 1.00 0.00 C ATOM 813 CE LYS A 50 18.052 -1.066 -22.079 1.00 0.00 C ATOM 814 NZ LYS A 50 17.136 -1.256 -23.220 1.00 0.00 N ATOM 0 H LYS A 50 15.083 -0.347 -16.707 1.00 0.00 H new ATOM 0 HA LYS A 50 14.002 -2.172 -18.609 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.470 -0.078 -18.881 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.796 -0.954 -18.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.849 -2.520 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.502 -1.676 -20.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.812 0.365 -21.058 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.116 -0.278 -20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.835 -0.364 -22.365 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.540 -2.014 -21.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.671 -1.606 -24.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.402 -1.947 -22.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.688 -0.349 -23.460 1.00 0.00 H new ATOM 828 N GLU A 51 16.281 -3.660 -16.770 1.00 0.00 N ATOM 829 CA GLU A 51 16.666 -5.031 -16.315 1.00 0.00 C ATOM 830 C GLU A 51 15.529 -5.909 -15.685 1.00 0.00 C ATOM 831 O GLU A 51 15.667 -7.135 -15.698 1.00 0.00 O ATOM 832 CB GLU A 51 17.863 -4.925 -15.331 1.00 0.00 C ATOM 833 CG GLU A 51 19.203 -4.503 -15.977 1.00 0.00 C ATOM 834 CD GLU A 51 20.323 -4.335 -14.951 1.00 0.00 C ATOM 835 OE1 GLU A 51 20.462 -3.229 -14.382 1.00 0.00 O ATOM 836 OE2 GLU A 51 21.070 -5.309 -14.703 1.00 0.00 O ATOM 0 H GLU A 51 16.732 -2.913 -16.241 1.00 0.00 H new ATOM 0 HA GLU A 51 16.931 -5.563 -17.229 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.611 -4.207 -14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.000 -5.890 -14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.499 -5.251 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.064 -3.565 -16.514 1.00 0.00 H new ATOM 843 N LYS A 52 14.427 -5.325 -15.160 1.00 0.00 N ATOM 844 CA LYS A 52 13.209 -6.093 -14.757 1.00 0.00 C ATOM 845 C LYS A 52 12.299 -6.468 -15.971 1.00 0.00 C ATOM 846 O LYS A 52 11.870 -7.621 -16.063 1.00 0.00 O ATOM 847 CB LYS A 52 12.392 -5.346 -13.660 1.00 0.00 C ATOM 848 CG LYS A 52 12.930 -5.416 -12.211 1.00 0.00 C ATOM 849 CD LYS A 52 14.102 -4.465 -11.888 1.00 0.00 C ATOM 850 CE LYS A 52 14.558 -4.459 -10.417 1.00 0.00 C ATOM 851 NZ LYS A 52 15.251 -5.699 -10.017 1.00 0.00 N ATOM 0 H LYS A 52 14.349 -4.320 -15.002 1.00 0.00 H new ATOM 0 HA LYS A 52 13.572 -7.029 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.324 -4.296 -13.945 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.377 -5.744 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.110 -5.198 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.249 -6.439 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.952 -4.737 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.813 -3.451 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.222 -3.610 -10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.689 -4.313 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.532 -5.633 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.612 -6.510 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.098 -5.829 -10.607 1.00 0.00 H new ATOM 865 N LEU A 53 12.007 -5.526 -16.892 1.00 0.00 N ATOM 866 CA LEU A 53 11.248 -5.777 -18.142 1.00 0.00 C ATOM 867 C LEU A 53 11.934 -6.776 -19.132 1.00 0.00 C ATOM 868 O LEU A 53 11.296 -7.742 -19.561 1.00 0.00 O ATOM 869 CB LEU A 53 10.997 -4.389 -18.791 1.00 0.00 C ATOM 870 CG LEU A 53 10.016 -3.408 -18.082 1.00 0.00 C ATOM 871 CD1 LEU A 53 10.155 -1.991 -18.668 1.00 0.00 C ATOM 872 CD2 LEU A 53 8.547 -3.872 -18.155 1.00 0.00 C ATOM 0 H LEU A 53 12.295 -4.553 -16.789 1.00 0.00 H new ATOM 0 HA LEU A 53 10.313 -6.281 -17.895 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.960 -3.887 -18.884 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.626 -4.557 -19.802 1.00 0.00 H new ATOM 0 HG LEU A 53 10.294 -3.396 -17.028 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.463 -1.318 -18.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.176 -1.636 -18.525 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.925 -2.014 -19.733 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.911 -3.149 -17.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.242 -3.950 -19.198 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.448 -4.845 -17.674 1.00 0.00 H new ATOM 884 N LYS A 54 13.222 -6.553 -19.458 1.00 0.00 N ATOM 885 CA LYS A 54 14.052 -7.490 -20.270 1.00 0.00 C ATOM 886 C LYS A 54 14.433 -8.836 -19.565 1.00 0.00 C ATOM 887 O LYS A 54 14.535 -9.851 -20.259 1.00 0.00 O ATOM 888 CB LYS A 54 15.322 -6.726 -20.752 1.00 0.00 C ATOM 889 CG LYS A 54 16.124 -7.401 -21.891 1.00 0.00 C ATOM 890 CD LYS A 54 17.451 -6.700 -22.253 1.00 0.00 C ATOM 891 CE LYS A 54 17.298 -5.308 -22.897 1.00 0.00 C ATOM 892 NZ LYS A 54 18.606 -4.751 -23.284 1.00 0.00 N ATOM 0 H LYS A 54 13.727 -5.716 -19.168 1.00 0.00 H new ATOM 0 HA LYS A 54 13.436 -7.808 -21.111 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.021 -5.733 -21.085 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.986 -6.588 -19.898 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.340 -8.430 -21.604 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.497 -7.443 -22.782 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.051 -6.601 -21.348 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.008 -7.341 -22.936 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.657 -5.380 -23.775 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.806 -4.633 -22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.471 -3.814 -23.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 19.208 -4.661 -22.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.064 -5.384 -23.970 1.00 0.00 H new ATOM 906 N ILE A 55 14.694 -8.839 -18.234 1.00 0.00 N ATOM 907 CA ILE A 55 15.248 -9.995 -17.468 1.00 0.00 C ATOM 908 C ILE A 55 16.762 -10.141 -17.816 1.00 0.00 C ATOM 909 O ILE A 55 17.115 -10.705 -18.857 1.00 0.00 O ATOM 910 CB ILE A 55 14.398 -11.319 -17.503 1.00 0.00 C ATOM 911 CG1 ILE A 55 12.905 -11.114 -17.099 1.00 0.00 C ATOM 912 CG2 ILE A 55 15.029 -12.485 -16.697 1.00 0.00 C ATOM 913 CD1 ILE A 55 12.609 -10.757 -15.631 1.00 0.00 C ATOM 0 H ILE A 55 14.523 -8.023 -17.646 1.00 0.00 H new ATOM 0 HA ILE A 55 15.165 -9.770 -16.405 1.00 0.00 H new ATOM 0 HB ILE A 55 14.411 -11.609 -18.554 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.492 -10.325 -17.727 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.363 -12.029 -17.339 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.388 -13.364 -16.767 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.012 -12.719 -17.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.131 -12.192 -15.652 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.534 -10.644 -15.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.976 -11.552 -14.982 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.107 -9.822 -15.376 1.00 0.00 H new ATOM 925 N ASP A 56 17.633 -9.628 -16.925 1.00 0.00 N ATOM 926 CA ASP A 56 19.107 -9.627 -17.128 1.00 0.00 C ATOM 927 C ASP A 56 19.723 -11.052 -16.952 1.00 0.00 C ATOM 928 O ASP A 56 20.112 -11.655 -17.957 1.00 0.00 O ATOM 929 CB ASP A 56 19.719 -8.510 -16.234 1.00 0.00 C ATOM 930 CG ASP A 56 21.191 -8.191 -16.521 1.00 0.00 C ATOM 931 OD1 ASP A 56 21.467 -7.334 -17.390 1.00 0.00 O ATOM 932 OD2 ASP A 56 22.079 -8.794 -15.877 1.00 0.00 O ATOM 0 H ASP A 56 17.342 -9.202 -16.045 1.00 0.00 H new ATOM 0 HA ASP A 56 19.361 -9.383 -18.159 1.00 0.00 H new ATOM 0 HB2 ASP A 56 19.133 -7.600 -16.362 1.00 0.00 H new ATOM 0 HB3 ASP A 56 19.623 -8.807 -15.190 1.00 0.00 H new ATOM 937 N SER A 57 19.781 -11.594 -15.715 1.00 0.00 N ATOM 938 CA SER A 57 20.254 -12.976 -15.457 1.00 0.00 C ATOM 939 C SER A 57 19.070 -13.965 -15.569 1.00 0.00 C ATOM 940 O SER A 57 19.071 -14.790 -16.509 1.00 0.00 O ATOM 941 CB SER A 57 20.950 -13.025 -14.079 1.00 0.00 C ATOM 942 OG SER A 57 21.521 -14.307 -13.845 1.00 0.00 O ATOM 943 OXT SER A 57 18.136 -13.920 -14.733 1.00 0.00 O ATOM 0 H SER A 57 19.504 -11.091 -14.872 1.00 0.00 H new ATOM 0 HA SER A 57 20.988 -13.278 -16.205 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.727 -12.262 -14.032 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.229 -12.795 -13.294 1.00 0.00 H new ATOM 0 HG SER A 57 21.958 -14.315 -12.968 1.00 0.00 H new TER 949 SER A 57