USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 747 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0729 (180deg=-0.519) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.129 (180deg=-0.566) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0356) USER MOD Single : A 15 MET CE :methyl -116:sc= -0.127 (180deg=-0.683) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00867 K(o=-0.0087,f=-0.71) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.95! C(o=-3!,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 177:sc= 0.794 USER MOD Single : A 48 HIS : no HD1:sc= -0.0995 X(o=-0.1,f=-0.34) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -130:sc= 0.0816 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.85) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.0732 (180deg=-0.486) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.092) USER MOD Single : A 78 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.087) USER MOD Single : A 86 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.3) USER MOD Single : A 87 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.9) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= -0.0428 (180deg=-0.337) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -0.112 (180deg=-0.453) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.576 0.352 0.533 1.00 33.43 N ATOM 2 CA MET A 1 2.334 0.438 -0.709 1.00 43.42 C ATOM 3 C MET A 1 3.583 -0.436 -0.646 1.00 52.21 C ATOM 4 O MET A 1 3.849 -1.084 0.366 1.00 23.25 O ATOM 5 CB MET A 1 2.727 1.890 -0.991 1.00 65.34 C ATOM 6 CG MET A 1 1.542 2.794 -1.285 1.00 52.34 C ATOM 7 SD MET A 1 1.091 2.803 -3.031 1.00 74.21 S ATOM 8 CE MET A 1 -0.595 3.402 -2.942 1.00 41.13 C ATOM 0 H1 MET A 1 0.634 -0.042 0.338 1.00 33.43 H new ATOM 0 H2 MET A 1 2.077 -0.265 1.204 1.00 33.43 H new ATOM 0 H3 MET A 1 1.476 1.302 0.945 1.00 33.43 H new ATOM 0 HA MET A 1 1.700 0.076 -1.519 1.00 43.42 H new ATOM 0 HB2 MET A 1 3.270 2.284 -0.132 1.00 65.34 H new ATOM 0 HB3 MET A 1 3.411 1.914 -1.839 1.00 65.34 H new ATOM 0 HG2 MET A 1 0.686 2.468 -0.694 1.00 52.34 H new ATOM 0 HG3 MET A 1 1.778 3.810 -0.970 1.00 52.34 H new ATOM 0 HE1 MET A 1 -1.013 3.463 -3.947 1.00 41.13 H new ATOM 0 HE2 MET A 1 -1.193 2.717 -2.341 1.00 41.13 H new ATOM 0 HE3 MET A 1 -0.606 4.391 -2.484 1.00 41.13 H new ATOM 18 N THR A 2 4.346 -0.450 -1.735 1.00 10.44 N ATOM 19 CA THR A 2 5.565 -1.245 -1.803 1.00 62.22 C ATOM 20 C THR A 2 6.786 -0.415 -1.424 1.00 13.44 C ATOM 21 O THR A 2 7.797 -0.951 -0.971 1.00 20.21 O ATOM 22 CB THR A 2 5.775 -1.831 -3.212 1.00 61.22 C ATOM 23 OG1 THR A 2 4.509 -2.067 -3.838 1.00 41.55 O ATOM 24 CG2 THR A 2 6.563 -3.131 -3.146 1.00 2.41 C ATOM 0 H THR A 2 4.141 0.081 -2.582 1.00 10.44 H new ATOM 0 HA THR A 2 5.449 -2.062 -1.090 1.00 62.22 H new ATOM 0 HB THR A 2 6.342 -1.110 -3.800 1.00 61.22 H new ATOM 0 HG1 THR A 2 4.651 -2.438 -4.734 1.00 41.55 H new ATOM 0 HG21 THR A 2 6.699 -3.526 -4.153 1.00 2.41 H new ATOM 0 HG22 THR A 2 7.538 -2.943 -2.696 1.00 2.41 H new ATOM 0 HG23 THR A 2 6.018 -3.857 -2.542 1.00 2.41 H new ATOM 32 N ARG A 3 6.684 0.897 -1.610 1.00 43.33 N ATOM 33 CA ARG A 3 7.781 1.802 -1.288 1.00 0.04 C ATOM 34 C ARG A 3 8.268 1.578 0.141 1.00 12.42 C ATOM 35 O ARG A 3 7.500 1.170 1.012 1.00 32.24 O ATOM 36 CB ARG A 3 7.340 3.256 -1.466 1.00 2.12 C ATOM 37 CG ARG A 3 6.873 3.582 -2.875 1.00 13.43 C ATOM 38 CD ARG A 3 8.026 3.550 -3.866 1.00 13.33 C ATOM 39 NE ARG A 3 9.000 4.607 -3.607 1.00 13.34 N ATOM 40 CZ ARG A 3 10.040 4.858 -4.394 1.00 74.53 C ATOM 41 NH1 ARG A 3 10.239 4.131 -5.485 1.00 61.12 N ATOM 42 NH2 ARG A 3 10.882 5.837 -4.092 1.00 22.24 N ATOM 0 H ARG A 3 5.853 1.357 -1.982 1.00 43.33 H new ATOM 0 HA ARG A 3 8.604 1.593 -1.971 1.00 0.04 H new ATOM 0 HB2 ARG A 3 6.533 3.470 -0.766 1.00 2.12 H new ATOM 0 HB3 ARG A 3 8.170 3.913 -1.206 1.00 2.12 H new ATOM 0 HG2 ARG A 3 6.109 2.867 -3.181 1.00 13.43 H new ATOM 0 HG3 ARG A 3 6.409 4.568 -2.887 1.00 13.43 H new ATOM 0 HD2 ARG A 3 8.521 2.580 -3.815 1.00 13.33 H new ATOM 0 HD3 ARG A 3 7.637 3.656 -4.879 1.00 13.33 H new ATOM 0 HE ARG A 3 8.875 5.184 -2.776 1.00 13.34 H new ATOM 0 HH11 ARG A 3 9.593 3.378 -5.721 1.00 61.12 H new ATOM 0 HH12 ARG A 3 11.038 4.325 -6.088 1.00 61.12 H new ATOM 0 HH21 ARG A 3 10.732 6.399 -3.254 1.00 22.24 H new ATOM 0 HH22 ARG A 3 11.680 6.028 -4.698 1.00 22.24 H new ATOM 56 N ASP A 4 9.548 1.848 0.374 1.00 55.34 N ATOM 57 CA ASP A 4 10.137 1.677 1.696 1.00 0.25 C ATOM 58 C ASP A 4 9.768 2.841 2.611 1.00 40.45 C ATOM 59 O ASP A 4 9.509 3.952 2.145 1.00 23.34 O ATOM 60 CB ASP A 4 11.658 1.559 1.589 1.00 42.20 C ATOM 61 CG ASP A 4 12.270 0.853 2.783 1.00 52.00 C ATOM 62 OD1 ASP A 4 12.103 -0.380 2.893 1.00 12.12 O ATOM 63 OD2 ASP A 4 12.916 1.533 3.607 1.00 44.13 O ATOM 0 H ASP A 4 10.197 2.186 -0.336 1.00 55.34 H new ATOM 0 HA ASP A 4 9.738 0.759 2.128 1.00 0.25 H new ATOM 0 HB2 ASP A 4 11.914 1.016 0.679 1.00 42.20 H new ATOM 0 HB3 ASP A 4 12.091 2.555 1.498 1.00 42.20 H new ATOM 68 N PHE A 5 9.745 2.580 3.913 1.00 33.12 N ATOM 69 CA PHE A 5 9.405 3.605 4.893 1.00 42.31 C ATOM 70 C PHE A 5 10.664 4.197 5.519 1.00 5.32 C ATOM 71 O PHE A 5 11.780 3.767 5.224 1.00 11.44 O ATOM 72 CB PHE A 5 8.506 3.020 5.984 1.00 51.50 C ATOM 73 CG PHE A 5 7.041 3.110 5.665 1.00 11.53 C ATOM 74 CD1 PHE A 5 6.331 4.271 5.928 1.00 21.14 C ATOM 75 CD2 PHE A 5 6.373 2.034 5.103 1.00 4.21 C ATOM 76 CE1 PHE A 5 4.983 4.357 5.636 1.00 11.20 C ATOM 77 CE2 PHE A 5 5.026 2.115 4.808 1.00 35.22 C ATOM 78 CZ PHE A 5 4.329 3.277 5.076 1.00 2.21 C ATOM 0 H PHE A 5 9.958 1.667 4.315 1.00 33.12 H new ATOM 0 HA PHE A 5 8.867 4.401 4.378 1.00 42.31 H new ATOM 0 HB2 PHE A 5 8.772 1.975 6.141 1.00 51.50 H new ATOM 0 HB3 PHE A 5 8.698 3.542 6.921 1.00 51.50 H new ATOM 0 HD1 PHE A 5 6.837 5.118 6.366 1.00 21.14 H new ATOM 0 HD2 PHE A 5 6.912 1.122 4.893 1.00 4.21 H new ATOM 0 HE1 PHE A 5 4.442 5.268 5.845 1.00 11.20 H new ATOM 0 HE2 PHE A 5 4.518 1.270 4.368 1.00 35.22 H new ATOM 0 HZ PHE A 5 3.275 3.341 4.848 1.00 2.21 H new ATOM 88 N LYS A 6 10.478 5.188 6.385 1.00 32.42 N ATOM 89 CA LYS A 6 11.597 5.840 7.055 1.00 74.00 C ATOM 90 C LYS A 6 11.690 5.399 8.512 1.00 2.33 C ATOM 91 O LYS A 6 10.731 4.893 9.096 1.00 44.24 O ATOM 92 CB LYS A 6 11.446 7.361 6.980 1.00 50.12 C ATOM 93 CG LYS A 6 12.141 7.983 5.781 1.00 62.41 C ATOM 94 CD LYS A 6 11.818 9.462 5.654 1.00 74.24 C ATOM 95 CE LYS A 6 11.899 9.928 4.208 1.00 21.21 C ATOM 96 NZ LYS A 6 10.876 9.265 3.353 1.00 31.21 N ATOM 0 H LYS A 6 9.562 5.557 6.639 1.00 32.42 H new ATOM 0 HA LYS A 6 12.515 5.546 6.546 1.00 74.00 H new ATOM 0 HB2 LYS A 6 10.386 7.611 6.945 1.00 50.12 H new ATOM 0 HB3 LYS A 6 11.848 7.803 7.892 1.00 50.12 H new ATOM 0 HG2 LYS A 6 13.219 7.852 5.876 1.00 62.41 H new ATOM 0 HG3 LYS A 6 11.836 7.464 4.873 1.00 62.41 H new ATOM 0 HD2 LYS A 6 10.818 9.652 6.043 1.00 74.24 H new ATOM 0 HD3 LYS A 6 12.512 10.041 6.263 1.00 74.24 H new ATOM 0 HE2 LYS A 6 11.762 11.009 4.167 1.00 21.21 H new ATOM 0 HE3 LYS A 6 12.893 9.718 3.814 1.00 21.21 H new ATOM 0 HZ1 LYS A 6 10.629 9.890 2.559 1.00 31.21 H new ATOM 0 HZ2 LYS A 6 11.259 8.371 2.984 1.00 31.21 H new ATOM 0 HZ3 LYS A 6 10.025 9.070 3.918 1.00 31.21 H new ATOM 110 N PRO A 7 12.872 5.596 9.116 1.00 15.22 N ATOM 111 CA PRO A 7 13.117 5.228 10.514 1.00 63.24 C ATOM 112 C PRO A 7 12.358 6.120 11.490 1.00 24.54 C ATOM 113 O PRO A 7 12.583 7.328 11.546 1.00 71.21 O ATOM 114 CB PRO A 7 14.627 5.425 10.672 1.00 20.41 C ATOM 115 CG PRO A 7 14.988 6.435 9.639 1.00 52.23 C ATOM 116 CD PRO A 7 14.058 6.194 8.482 1.00 41.43 C ATOM 0 HA PRO A 7 12.780 4.215 10.735 1.00 63.24 H new ATOM 0 HB2 PRO A 7 14.878 5.776 11.673 1.00 20.41 H new ATOM 0 HB3 PRO A 7 15.166 4.491 10.517 1.00 20.41 H new ATOM 0 HG2 PRO A 7 14.875 7.447 10.027 1.00 52.23 H new ATOM 0 HG3 PRO A 7 16.028 6.326 9.333 1.00 52.23 H new ATOM 0 HD2 PRO A 7 13.812 7.121 7.964 1.00 41.43 H new ATOM 0 HD3 PRO A 7 14.500 5.524 7.744 1.00 41.43 H new ATOM 124 N GLY A 8 11.459 5.515 12.260 1.00 35.13 N ATOM 125 CA GLY A 8 10.680 6.270 13.225 1.00 65.10 C ATOM 126 C GLY A 8 9.394 6.812 12.635 1.00 51.41 C ATOM 127 O GLY A 8 8.930 7.885 13.021 1.00 12.24 O ATOM 0 H GLY A 8 11.256 4.516 12.233 1.00 35.13 H new ATOM 0 HA2 GLY A 8 10.445 5.632 14.076 1.00 65.10 H new ATOM 0 HA3 GLY A 8 11.280 7.098 13.603 1.00 65.10 H new ATOM 131 N ASP A 9 8.817 6.071 11.695 1.00 2.24 N ATOM 132 CA ASP A 9 7.577 6.484 11.050 1.00 15.30 C ATOM 133 C ASP A 9 6.371 5.836 11.724 1.00 3.11 C ATOM 134 O ASP A 9 6.429 4.679 12.143 1.00 55.11 O ATOM 135 CB ASP A 9 7.603 6.120 9.565 1.00 62.31 C ATOM 136 CG ASP A 9 8.137 7.246 8.702 1.00 54.03 C ATOM 137 OD1 ASP A 9 8.694 8.211 9.264 1.00 3.13 O ATOM 138 OD2 ASP A 9 7.995 7.163 7.463 1.00 25.04 O ATOM 0 H ASP A 9 9.189 5.181 11.363 1.00 2.24 H new ATOM 0 HA ASP A 9 7.488 7.566 11.149 1.00 15.30 H new ATOM 0 HB2 ASP A 9 8.220 5.233 9.422 1.00 62.31 H new ATOM 0 HB3 ASP A 9 6.595 5.863 9.239 1.00 62.31 H new ATOM 143 N LEU A 10 5.282 6.589 11.827 1.00 74.23 N ATOM 144 CA LEU A 10 4.062 6.088 12.451 1.00 11.21 C ATOM 145 C LEU A 10 3.236 5.276 11.459 1.00 70.21 C ATOM 146 O LEU A 10 2.688 5.821 10.500 1.00 33.43 O ATOM 147 CB LEU A 10 3.229 7.251 12.994 1.00 61.11 C ATOM 148 CG LEU A 10 3.903 8.122 14.055 1.00 63.42 C ATOM 149 CD1 LEU A 10 4.633 7.256 15.070 1.00 1.45 C ATOM 150 CD2 LEU A 10 4.862 9.108 13.404 1.00 24.15 C ATOM 0 H LEU A 10 5.218 7.548 11.487 1.00 74.23 H new ATOM 0 HA LEU A 10 4.347 5.436 13.277 1.00 11.21 H new ATOM 0 HB2 LEU A 10 2.943 7.889 12.157 1.00 61.11 H new ATOM 0 HB3 LEU A 10 2.309 6.847 13.416 1.00 61.11 H new ATOM 0 HG LEU A 10 3.132 8.688 14.578 1.00 63.42 H new ATOM 0 HD11 LEU A 10 5.107 7.892 15.817 1.00 1.45 H new ATOM 0 HD12 LEU A 10 3.922 6.590 15.559 1.00 1.45 H new ATOM 0 HD13 LEU A 10 5.395 6.664 14.562 1.00 1.45 H new ATOM 0 HD21 LEU A 10 5.333 9.720 14.174 1.00 24.15 H new ATOM 0 HD22 LEU A 10 5.629 8.561 12.855 1.00 24.15 H new ATOM 0 HD23 LEU A 10 4.312 9.750 12.716 1.00 24.15 H new ATOM 162 N ILE A 11 3.150 3.971 11.697 1.00 40.52 N ATOM 163 CA ILE A 11 2.388 3.085 10.826 1.00 41.21 C ATOM 164 C ILE A 11 1.832 1.896 11.602 1.00 12.42 C ATOM 165 O ILE A 11 2.478 1.379 12.514 1.00 52.41 O ATOM 166 CB ILE A 11 3.249 2.565 9.660 1.00 62.22 C ATOM 167 CG1 ILE A 11 4.470 1.814 10.195 1.00 62.45 C ATOM 168 CG2 ILE A 11 3.680 3.717 8.764 1.00 33.21 C ATOM 169 CD1 ILE A 11 4.228 0.334 10.397 1.00 4.22 C ATOM 0 H ILE A 11 3.599 3.504 12.485 1.00 40.52 H new ATOM 0 HA ILE A 11 1.562 3.672 10.424 1.00 41.21 H new ATOM 0 HB ILE A 11 2.651 1.873 9.067 1.00 62.22 H new ATOM 0 HG12 ILE A 11 5.301 1.947 9.502 1.00 62.45 H new ATOM 0 HG13 ILE A 11 4.772 2.257 11.144 1.00 62.45 H new ATOM 0 HG21 ILE A 11 4.288 3.333 7.945 1.00 33.21 H new ATOM 0 HG22 ILE A 11 2.798 4.213 8.360 1.00 33.21 H new ATOM 0 HG23 ILE A 11 4.264 4.431 9.345 1.00 33.21 H new ATOM 0 HD11 ILE A 11 5.136 -0.134 10.778 1.00 4.22 H new ATOM 0 HD12 ILE A 11 3.419 0.192 11.113 1.00 4.22 H new ATOM 0 HD13 ILE A 11 3.955 -0.123 9.446 1.00 4.22 H new ATOM 181 N PHE A 12 0.630 1.466 11.234 1.00 53.25 N ATOM 182 CA PHE A 12 -0.014 0.337 11.895 1.00 71.04 C ATOM 183 C PHE A 12 0.535 -0.986 11.369 1.00 74.13 C ATOM 184 O PHE A 12 0.345 -1.329 10.202 1.00 30.11 O ATOM 185 CB PHE A 12 -1.529 0.393 11.686 1.00 21.23 C ATOM 186 CG PHE A 12 -2.254 1.155 12.759 1.00 62.25 C ATOM 187 CD1 PHE A 12 -1.813 2.407 13.156 1.00 62.21 C ATOM 188 CD2 PHE A 12 -3.376 0.619 13.370 1.00 60.14 C ATOM 189 CE1 PHE A 12 -2.478 3.111 14.142 1.00 23.11 C ATOM 190 CE2 PHE A 12 -4.045 1.318 14.356 1.00 52.51 C ATOM 191 CZ PHE A 12 -3.595 2.565 14.744 1.00 41.45 C ATOM 0 H PHE A 12 0.082 1.882 10.481 1.00 53.25 H new ATOM 0 HA PHE A 12 0.201 0.401 12.962 1.00 71.04 H new ATOM 0 HB2 PHE A 12 -1.738 0.853 10.720 1.00 21.23 H new ATOM 0 HB3 PHE A 12 -1.920 -0.624 11.646 1.00 21.23 H new ATOM 0 HD1 PHE A 12 -0.939 2.838 12.690 1.00 62.21 H new ATOM 0 HD2 PHE A 12 -3.732 -0.356 13.072 1.00 60.14 H new ATOM 0 HE1 PHE A 12 -2.125 4.087 14.441 1.00 23.11 H new ATOM 0 HE2 PHE A 12 -4.919 0.890 14.823 1.00 52.51 H new ATOM 0 HZ PHE A 12 -4.115 3.112 15.516 1.00 41.45 H new ATOM 201 N ALA A 13 1.216 -1.725 12.238 1.00 2.43 N ATOM 202 CA ALA A 13 1.791 -3.010 11.863 1.00 25.30 C ATOM 203 C ALA A 13 0.733 -4.108 11.868 1.00 11.14 C ATOM 204 O ALA A 13 0.012 -4.285 12.851 1.00 62.33 O ATOM 205 CB ALA A 13 2.934 -3.371 12.801 1.00 33.41 C ATOM 0 H ALA A 13 1.383 -1.455 13.207 1.00 2.43 H new ATOM 0 HA ALA A 13 2.181 -2.923 10.849 1.00 25.30 H new ATOM 0 HB1 ALA A 13 3.354 -4.333 12.509 1.00 33.41 H new ATOM 0 HB2 ALA A 13 3.707 -2.605 12.744 1.00 33.41 H new ATOM 0 HB3 ALA A 13 2.560 -3.433 13.823 1.00 33.41 H new ATOM 211 N LYS A 14 0.643 -4.842 10.765 1.00 63.42 N ATOM 212 CA LYS A 14 -0.327 -5.924 10.641 1.00 1.34 C ATOM 213 C LYS A 14 0.368 -7.281 10.644 1.00 23.40 C ATOM 214 O LYS A 14 0.994 -7.671 9.658 1.00 14.41 O ATOM 215 CB LYS A 14 -1.144 -5.760 9.358 1.00 41.32 C ATOM 216 CG LYS A 14 -2.006 -6.966 9.027 1.00 12.44 C ATOM 217 CD LYS A 14 -2.942 -7.313 10.173 1.00 11.30 C ATOM 218 CE LYS A 14 -4.227 -7.952 9.669 1.00 11.50 C ATOM 219 NZ LYS A 14 -3.964 -9.217 8.929 1.00 53.20 N ATOM 0 H LYS A 14 1.231 -4.707 9.942 1.00 63.42 H new ATOM 0 HA LYS A 14 -0.997 -5.877 11.499 1.00 1.34 H new ATOM 0 HB2 LYS A 14 -1.783 -4.882 9.454 1.00 41.32 H new ATOM 0 HB3 LYS A 14 -0.465 -5.570 8.527 1.00 41.32 H new ATOM 0 HG2 LYS A 14 -2.589 -6.762 8.129 1.00 12.44 H new ATOM 0 HG3 LYS A 14 -1.367 -7.821 8.806 1.00 12.44 H new ATOM 0 HD2 LYS A 14 -2.441 -7.995 10.860 1.00 11.30 H new ATOM 0 HD3 LYS A 14 -3.180 -6.410 10.736 1.00 11.30 H new ATOM 0 HE2 LYS A 14 -4.887 -8.155 10.513 1.00 11.50 H new ATOM 0 HE3 LYS A 14 -4.749 -7.252 9.017 1.00 11.50 H new ATOM 0 HZ1 LYS A 14 -4.866 -9.691 8.720 1.00 53.20 H new ATOM 0 HZ2 LYS A 14 -3.471 -9.002 8.039 1.00 53.20 H new ATOM 0 HZ3 LYS A 14 -3.371 -9.843 9.511 1.00 53.20 H new ATOM 233 N MET A 15 0.253 -7.998 11.757 1.00 3.14 N ATOM 234 CA MET A 15 0.869 -9.314 11.886 1.00 1.40 C ATOM 235 C MET A 15 -0.068 -10.405 11.378 1.00 13.50 C ATOM 236 O MET A 15 -1.264 -10.395 11.670 1.00 34.41 O ATOM 237 CB MET A 15 1.243 -9.585 13.344 1.00 2.14 C ATOM 238 CG MET A 15 2.677 -9.211 13.683 1.00 22.45 C ATOM 239 SD MET A 15 3.299 -10.087 15.132 1.00 62.34 S ATOM 240 CE MET A 15 3.408 -11.758 14.496 1.00 61.22 C ATOM 0 H MET A 15 -0.261 -7.690 12.583 1.00 3.14 H new ATOM 0 HA MET A 15 1.774 -9.325 11.278 1.00 1.40 H new ATOM 0 HB2 MET A 15 0.568 -9.028 13.993 1.00 2.14 H new ATOM 0 HB3 MET A 15 1.092 -10.643 13.559 1.00 2.14 H new ATOM 0 HG2 MET A 15 3.317 -9.430 12.828 1.00 22.45 H new ATOM 0 HG3 MET A 15 2.736 -8.137 13.859 1.00 22.45 H new ATOM 0 HE1 MET A 15 2.716 -12.400 15.041 1.00 61.22 H new ATOM 0 HE2 MET A 15 3.150 -11.762 13.437 1.00 61.22 H new ATOM 0 HE3 MET A 15 4.425 -12.130 14.623 1.00 61.22 H new ATOM 250 N LYS A 16 0.482 -11.344 10.616 1.00 50.41 N ATOM 251 CA LYS A 16 -0.304 -12.442 10.068 1.00 70.44 C ATOM 252 C LYS A 16 -1.081 -13.158 11.168 1.00 23.12 C ATOM 253 O LYS A 16 -0.497 -13.831 12.017 1.00 44.33 O ATOM 254 CB LYS A 16 0.607 -13.436 9.343 1.00 73.03 C ATOM 255 CG LYS A 16 -0.086 -14.188 8.219 1.00 21.25 C ATOM 256 CD LYS A 16 -1.052 -15.230 8.759 1.00 53.54 C ATOM 257 CE LYS A 16 -1.586 -16.122 7.649 1.00 60.13 C ATOM 258 NZ LYS A 16 -2.438 -17.221 8.182 1.00 50.21 N ATOM 0 H LYS A 16 1.470 -11.366 10.364 1.00 50.41 H new ATOM 0 HA LYS A 16 -1.017 -12.025 9.357 1.00 70.44 H new ATOM 0 HB2 LYS A 16 1.464 -12.900 8.936 1.00 73.03 H new ATOM 0 HB3 LYS A 16 0.994 -14.155 10.065 1.00 73.03 H new ATOM 0 HG2 LYS A 16 -0.626 -13.483 7.587 1.00 21.25 H new ATOM 0 HG3 LYS A 16 0.660 -14.673 7.590 1.00 21.25 H new ATOM 0 HD2 LYS A 16 -0.548 -15.841 9.508 1.00 53.54 H new ATOM 0 HD3 LYS A 16 -1.883 -14.733 9.259 1.00 53.54 H new ATOM 0 HE2 LYS A 16 -2.165 -15.521 6.947 1.00 60.13 H new ATOM 0 HE3 LYS A 16 -0.751 -16.547 7.092 1.00 60.13 H new ATOM 0 HZ1 LYS A 16 -2.782 -17.806 7.394 1.00 50.21 H new ATOM 0 HZ2 LYS A 16 -1.879 -17.810 8.832 1.00 50.21 H new ATOM 0 HZ3 LYS A 16 -3.249 -16.816 8.692 1.00 50.21 H new ATOM 272 N GLY A 17 -2.402 -13.009 11.147 1.00 62.31 N ATOM 273 CA GLY A 17 -3.237 -13.649 12.147 1.00 5.53 C ATOM 274 C GLY A 17 -3.510 -12.748 13.336 1.00 64.22 C ATOM 275 O GLY A 17 -3.874 -13.223 14.412 1.00 52.51 O ATOM 0 H GLY A 17 -2.909 -12.457 10.455 1.00 62.31 H new ATOM 0 HA2 GLY A 17 -4.183 -13.942 11.692 1.00 5.53 H new ATOM 0 HA3 GLY A 17 -2.752 -14.562 12.491 1.00 5.53 H new ATOM 279 N TYR A 18 -3.332 -11.446 13.143 1.00 65.14 N ATOM 280 CA TYR A 18 -3.557 -10.477 14.209 1.00 71.42 C ATOM 281 C TYR A 18 -4.078 -9.159 13.645 1.00 4.44 C ATOM 282 O TYR A 18 -3.823 -8.802 12.495 1.00 51.31 O ATOM 283 CB TYR A 18 -2.264 -10.236 14.990 1.00 71.54 C ATOM 284 CG TYR A 18 -1.572 -11.509 15.422 1.00 22.21 C ATOM 285 CD1 TYR A 18 -0.716 -12.185 14.561 1.00 4.25 C ATOM 286 CD2 TYR A 18 -1.773 -12.035 16.692 1.00 33.52 C ATOM 287 CE1 TYR A 18 -0.082 -13.348 14.952 1.00 23.34 C ATOM 288 CE2 TYR A 18 -1.143 -13.198 17.092 1.00 5.32 C ATOM 289 CZ TYR A 18 -0.298 -13.851 16.219 1.00 52.44 C ATOM 290 OH TYR A 18 0.333 -15.009 16.612 1.00 15.43 O ATOM 0 H TYR A 18 -3.032 -11.037 12.258 1.00 65.14 H new ATOM 0 HA TYR A 18 -4.309 -10.885 14.884 1.00 71.42 H new ATOM 0 HB2 TYR A 18 -1.581 -9.652 14.374 1.00 71.54 H new ATOM 0 HB3 TYR A 18 -2.489 -9.637 15.872 1.00 71.54 H new ATOM 0 HD1 TYR A 18 -0.544 -11.794 13.569 1.00 4.25 H new ATOM 0 HD2 TYR A 18 -2.433 -11.526 17.379 1.00 33.52 H new ATOM 0 HE1 TYR A 18 0.579 -13.861 14.270 1.00 23.34 H new ATOM 0 HE2 TYR A 18 -1.311 -13.594 18.083 1.00 5.32 H new ATOM 0 HH TYR A 18 0.075 -15.226 17.532 1.00 15.43 H new ATOM 300 N PRO A 19 -4.825 -8.416 14.476 1.00 45.44 N ATOM 301 CA PRO A 19 -5.396 -7.124 14.084 1.00 12.21 C ATOM 302 C PRO A 19 -4.331 -6.045 13.919 1.00 53.12 C ATOM 303 O PRO A 19 -3.158 -6.266 14.219 1.00 44.23 O ATOM 304 CB PRO A 19 -6.329 -6.781 15.249 1.00 44.14 C ATOM 305 CG PRO A 19 -5.763 -7.515 16.415 1.00 0.54 C ATOM 306 CD PRO A 19 -5.168 -8.779 15.861 1.00 71.24 C ATOM 0 HA PRO A 19 -5.899 -7.177 13.118 1.00 12.21 H new ATOM 0 HB2 PRO A 19 -6.356 -5.707 15.432 1.00 44.14 H new ATOM 0 HB3 PRO A 19 -7.352 -7.094 15.042 1.00 44.14 H new ATOM 0 HG2 PRO A 19 -5.006 -6.917 16.922 1.00 0.54 H new ATOM 0 HG3 PRO A 19 -6.537 -7.738 17.149 1.00 0.54 H new ATOM 0 HD2 PRO A 19 -4.288 -9.090 16.425 1.00 71.24 H new ATOM 0 HD3 PRO A 19 -5.877 -9.606 15.896 1.00 71.24 H new ATOM 314 N HIS A 20 -4.748 -4.877 13.440 1.00 11.23 N ATOM 315 CA HIS A 20 -3.829 -3.762 13.236 1.00 33.53 C ATOM 316 C HIS A 20 -3.437 -3.131 14.569 1.00 54.44 C ATOM 317 O HIS A 20 -4.241 -3.073 15.499 1.00 30.44 O ATOM 318 CB HIS A 20 -4.464 -2.710 12.327 1.00 74.33 C ATOM 319 CG HIS A 20 -5.138 -3.289 11.121 1.00 34.10 C ATOM 320 ND1 HIS A 20 -4.471 -4.030 10.169 1.00 71.41 N ATOM 321 CD2 HIS A 20 -6.429 -3.234 10.716 1.00 2.50 C ATOM 322 CE1 HIS A 20 -5.321 -4.404 9.230 1.00 74.34 C ATOM 323 NE2 HIS A 20 -6.516 -3.934 9.538 1.00 14.11 N ATOM 0 H HIS A 20 -5.716 -4.678 13.186 1.00 11.23 H new ATOM 0 HA HIS A 20 -2.929 -4.148 12.758 1.00 33.53 H new ATOM 0 HB2 HIS A 20 -5.193 -2.138 12.901 1.00 74.33 H new ATOM 0 HB3 HIS A 20 -3.694 -2.010 12.002 1.00 74.33 H new ATOM 0 HD2 HIS A 20 -7.239 -2.733 11.225 1.00 2.50 H new ATOM 0 HE1 HIS A 20 -5.080 -4.994 8.358 1.00 74.34 H new ATOM 0 HE2 HIS A 20 -7.366 -4.069 8.990 1.00 14.11 H new ATOM 331 N TRP A 21 -2.199 -2.659 14.652 1.00 1.22 N ATOM 332 CA TRP A 21 -1.701 -2.032 15.871 1.00 4.13 C ATOM 333 C TRP A 21 -0.678 -0.949 15.547 1.00 2.44 C ATOM 334 O TRP A 21 0.174 -1.108 14.673 1.00 5.32 O ATOM 335 CB TRP A 21 -1.076 -3.082 16.791 1.00 64.43 C ATOM 336 CG TRP A 21 -0.478 -2.501 18.037 1.00 74.44 C ATOM 337 CD1 TRP A 21 0.735 -1.887 18.154 1.00 44.41 C ATOM 338 CD2 TRP A 21 -1.067 -2.483 19.341 1.00 35.03 C ATOM 339 NE1 TRP A 21 0.936 -1.487 19.453 1.00 23.02 N ATOM 340 CE2 TRP A 21 -0.155 -1.840 20.201 1.00 34.42 C ATOM 341 CE3 TRP A 21 -2.277 -2.945 19.867 1.00 53.25 C ATOM 342 CZ2 TRP A 21 -0.417 -1.651 21.556 1.00 43.24 C ATOM 343 CZ3 TRP A 21 -2.535 -2.756 21.211 1.00 71.10 C ATOM 344 CH2 TRP A 21 -1.609 -2.113 22.043 1.00 61.00 C ATOM 0 H TRP A 21 -1.522 -2.698 13.890 1.00 1.22 H new ATOM 0 HA TRP A 21 -2.545 -1.568 16.382 1.00 4.13 H new ATOM 0 HB2 TRP A 21 -1.837 -3.811 17.068 1.00 64.43 H new ATOM 0 HB3 TRP A 21 -0.303 -3.621 16.243 1.00 64.43 H new ATOM 0 HD1 TRP A 21 1.434 -1.737 17.345 1.00 44.41 H new ATOM 0 HE1 TRP A 21 1.764 -1.005 19.803 1.00 23.02 H new ATOM 0 HE3 TRP A 21 -2.998 -3.441 19.234 1.00 53.25 H new ATOM 0 HZ2 TRP A 21 0.296 -1.157 22.200 1.00 43.24 H new ATOM 0 HZ3 TRP A 21 -3.466 -3.110 21.628 1.00 71.10 H new ATOM 0 HH2 TRP A 21 -1.841 -1.979 23.089 1.00 61.00 H new ATOM 355 N PRO A 22 -0.761 0.180 16.267 1.00 15.11 N ATOM 356 CA PRO A 22 0.150 1.312 16.074 1.00 63.40 C ATOM 357 C PRO A 22 1.567 1.001 16.544 1.00 23.10 C ATOM 358 O PRO A 22 1.803 0.778 17.731 1.00 34.11 O ATOM 359 CB PRO A 22 -0.468 2.416 16.934 1.00 12.41 C ATOM 360 CG PRO A 22 -1.244 1.693 17.980 1.00 25.23 C ATOM 361 CD PRO A 22 -1.752 0.439 17.325 1.00 34.53 C ATOM 0 HA PRO A 22 0.251 1.579 15.022 1.00 63.40 H new ATOM 0 HB2 PRO A 22 0.301 3.049 17.378 1.00 12.41 H new ATOM 0 HB3 PRO A 22 -1.112 3.065 16.341 1.00 12.41 H new ATOM 0 HG2 PRO A 22 -0.616 1.458 18.839 1.00 25.23 H new ATOM 0 HG3 PRO A 22 -2.069 2.304 18.346 1.00 25.23 H new ATOM 0 HD2 PRO A 22 -1.810 -0.388 18.032 1.00 34.53 H new ATOM 0 HD3 PRO A 22 -2.752 0.577 16.914 1.00 34.53 H new ATOM 369 N ALA A 23 2.508 0.989 15.605 1.00 31.52 N ATOM 370 CA ALA A 23 3.902 0.708 15.924 1.00 21.34 C ATOM 371 C ALA A 23 4.830 1.731 15.278 1.00 20.12 C ATOM 372 O ALA A 23 4.375 2.717 14.699 1.00 14.32 O ATOM 373 CB ALA A 23 4.273 -0.699 15.479 1.00 75.12 C ATOM 0 H ALA A 23 2.330 1.171 14.617 1.00 31.52 H new ATOM 0 HA ALA A 23 4.022 0.778 17.005 1.00 21.34 H new ATOM 0 HB1 ALA A 23 5.317 -0.895 15.724 1.00 75.12 H new ATOM 0 HB2 ALA A 23 3.638 -1.422 15.992 1.00 75.12 H new ATOM 0 HB3 ALA A 23 4.130 -0.790 14.402 1.00 75.12 H new ATOM 379 N ARG A 24 6.133 1.490 15.382 1.00 71.33 N ATOM 380 CA ARG A 24 7.125 2.392 14.809 1.00 73.32 C ATOM 381 C ARG A 24 8.178 1.614 14.025 1.00 2.31 C ATOM 382 O ARG A 24 8.614 0.542 14.445 1.00 2.43 O ATOM 383 CB ARG A 24 7.796 3.212 15.911 1.00 3.25 C ATOM 384 CG ARG A 24 9.064 3.918 15.459 1.00 51.31 C ATOM 385 CD ARG A 24 10.307 3.125 15.831 1.00 33.02 C ATOM 386 NE ARG A 24 11.497 3.969 15.893 1.00 12.33 N ATOM 387 CZ ARG A 24 12.671 3.552 16.353 1.00 60.53 C ATOM 388 NH1 ARG A 24 12.812 2.307 16.788 1.00 72.14 N ATOM 389 NH2 ARG A 24 13.708 4.379 16.377 1.00 12.34 N ATOM 0 H ARG A 24 6.526 0.678 15.858 1.00 71.33 H new ATOM 0 HA ARG A 24 6.613 3.068 14.124 1.00 73.32 H new ATOM 0 HB2 ARG A 24 7.089 3.955 16.281 1.00 3.25 H new ATOM 0 HB3 ARG A 24 8.035 2.555 16.747 1.00 3.25 H new ATOM 0 HG2 ARG A 24 9.035 4.065 14.379 1.00 51.31 H new ATOM 0 HG3 ARG A 24 9.113 4.907 15.914 1.00 51.31 H new ATOM 0 HD2 ARG A 24 10.154 2.643 16.797 1.00 33.02 H new ATOM 0 HD3 ARG A 24 10.463 2.332 15.100 1.00 33.02 H new ATOM 0 HE ARG A 24 11.422 4.932 15.565 1.00 12.33 H new ATOM 0 HH11 ARG A 24 12.018 1.667 16.770 1.00 72.14 H new ATOM 0 HH12 ARG A 24 13.715 1.989 17.141 1.00 72.14 H new ATOM 0 HH21 ARG A 24 13.604 5.337 16.042 1.00 12.34 H new ATOM 0 HH22 ARG A 24 14.609 4.057 16.731 1.00 12.34 H new ATOM 403 N VAL A 25 8.583 2.162 12.883 1.00 33.24 N ATOM 404 CA VAL A 25 9.585 1.521 12.041 1.00 61.51 C ATOM 405 C VAL A 25 10.991 1.767 12.576 1.00 64.41 C ATOM 406 O VAL A 25 11.314 2.869 13.020 1.00 72.24 O ATOM 407 CB VAL A 25 9.504 2.026 10.588 1.00 4.54 C ATOM 408 CG1 VAL A 25 10.584 1.378 9.736 1.00 24.30 C ATOM 409 CG2 VAL A 25 8.124 1.760 10.008 1.00 52.21 C ATOM 0 H VAL A 25 8.232 3.048 12.520 1.00 33.24 H new ATOM 0 HA VAL A 25 9.375 0.452 12.058 1.00 61.51 H new ATOM 0 HB VAL A 25 9.672 3.103 10.586 1.00 4.54 H new ATOM 0 HG11 VAL A 25 10.511 1.747 8.713 1.00 24.30 H new ATOM 0 HG12 VAL A 25 11.565 1.626 10.142 1.00 24.30 H new ATOM 0 HG13 VAL A 25 10.452 0.296 9.742 1.00 24.30 H new ATOM 0 HG21 VAL A 25 8.085 2.123 8.981 1.00 52.21 H new ATOM 0 HG22 VAL A 25 7.924 0.689 10.022 1.00 52.21 H new ATOM 0 HG23 VAL A 25 7.373 2.277 10.605 1.00 52.21 H new ATOM 419 N ASP A 26 11.825 0.733 12.530 1.00 12.23 N ATOM 420 CA ASP A 26 13.198 0.837 13.009 1.00 24.00 C ATOM 421 C ASP A 26 14.173 0.952 11.842 1.00 45.35 C ATOM 422 O ASP A 26 13.818 0.681 10.695 1.00 21.22 O ATOM 423 CB ASP A 26 13.554 -0.377 13.869 1.00 4.41 C ATOM 424 CG ASP A 26 14.362 0.000 15.095 1.00 22.25 C ATOM 425 OD1 ASP A 26 14.907 1.123 15.125 1.00 70.12 O ATOM 426 OD2 ASP A 26 14.450 -0.829 16.026 1.00 65.03 O ATOM 0 H ASP A 26 11.574 -0.186 12.166 1.00 12.23 H new ATOM 0 HA ASP A 26 13.278 1.739 13.616 1.00 24.00 H new ATOM 0 HB2 ASP A 26 12.638 -0.879 14.181 1.00 4.41 H new ATOM 0 HB3 ASP A 26 14.120 -1.090 13.270 1.00 4.41 H new ATOM 431 N GLU A 27 15.403 1.358 12.142 1.00 63.20 N ATOM 432 CA GLU A 27 16.428 1.511 11.116 1.00 25.23 C ATOM 433 C GLU A 27 16.940 0.150 10.651 1.00 1.43 C ATOM 434 O GLU A 27 16.496 -0.891 11.135 1.00 53.02 O ATOM 435 CB GLU A 27 17.592 2.351 11.648 1.00 54.04 C ATOM 436 CG GLU A 27 18.241 1.773 12.894 1.00 72.33 C ATOM 437 CD GLU A 27 19.444 0.906 12.576 1.00 32.11 C ATOM 438 OE1 GLU A 27 20.485 1.461 12.168 1.00 51.41 O ATOM 439 OE2 GLU A 27 19.343 -0.329 12.736 1.00 5.32 O ATOM 0 H GLU A 27 15.714 1.587 13.086 1.00 63.20 H new ATOM 0 HA GLU A 27 15.980 2.022 10.264 1.00 25.23 H new ATOM 0 HB2 GLU A 27 18.346 2.447 10.867 1.00 54.04 H new ATOM 0 HB3 GLU A 27 17.232 3.356 11.869 1.00 54.04 H new ATOM 0 HG2 GLU A 27 18.548 2.587 13.550 1.00 72.33 H new ATOM 0 HG3 GLU A 27 17.506 1.182 13.441 1.00 72.33 H new ATOM 446 N VAL A 28 17.877 0.168 9.709 1.00 64.31 N ATOM 447 CA VAL A 28 18.451 -1.063 9.178 1.00 33.30 C ATOM 448 C VAL A 28 19.769 -1.398 9.867 1.00 12.53 C ATOM 449 O VAL A 28 20.468 -0.524 10.381 1.00 21.33 O ATOM 450 CB VAL A 28 18.689 -0.962 7.660 1.00 62.23 C ATOM 451 CG1 VAL A 28 17.366 -0.960 6.910 1.00 14.42 C ATOM 452 CG2 VAL A 28 19.501 0.282 7.330 1.00 75.51 C ATOM 0 H VAL A 28 18.255 1.021 9.298 1.00 64.31 H new ATOM 0 HA VAL A 28 17.731 -1.857 9.373 1.00 33.30 H new ATOM 0 HB VAL A 28 19.258 -1.835 7.340 1.00 62.23 H new ATOM 0 HG11 VAL A 28 17.555 -0.888 5.839 1.00 14.42 H new ATOM 0 HG12 VAL A 28 16.826 -1.883 7.122 1.00 14.42 H new ATOM 0 HG13 VAL A 28 16.767 -0.108 7.231 1.00 14.42 H new ATOM 0 HG21 VAL A 28 19.660 0.338 6.253 1.00 75.51 H new ATOM 0 HG22 VAL A 28 18.961 1.168 7.663 1.00 75.51 H new ATOM 0 HG23 VAL A 28 20.465 0.232 7.837 1.00 75.51 H new ATOM 462 N PRO A 29 20.118 -2.692 9.879 1.00 24.44 N ATOM 463 CA PRO A 29 21.356 -3.172 10.502 1.00 72.53 C ATOM 464 C PRO A 29 22.598 -2.743 9.728 1.00 30.24 C ATOM 465 O PRO A 29 22.498 -2.125 8.669 1.00 41.44 O ATOM 466 CB PRO A 29 21.203 -4.695 10.466 1.00 63.22 C ATOM 467 CG PRO A 29 20.278 -4.956 9.328 1.00 32.50 C ATOM 468 CD PRO A 29 19.333 -3.787 9.286 1.00 71.51 C ATOM 0 HA PRO A 29 21.492 -2.767 11.505 1.00 72.53 H new ATOM 0 HB2 PRO A 29 22.164 -5.186 10.315 1.00 63.22 H new ATOM 0 HB3 PRO A 29 20.795 -5.074 11.403 1.00 63.22 H new ATOM 0 HG2 PRO A 29 20.828 -5.047 8.391 1.00 32.50 H new ATOM 0 HG3 PRO A 29 19.736 -5.891 9.472 1.00 32.50 H new ATOM 0 HD2 PRO A 29 19.026 -3.555 8.266 1.00 71.51 H new ATOM 0 HD3 PRO A 29 18.425 -3.984 9.855 1.00 71.51 H new ATOM 476 N ASP A 30 23.767 -3.075 10.265 1.00 60.54 N ATOM 477 CA ASP A 30 25.029 -2.725 9.624 1.00 63.43 C ATOM 478 C ASP A 30 25.144 -3.385 8.253 1.00 52.22 C ATOM 479 O ASP A 30 25.946 -2.969 7.418 1.00 54.34 O ATOM 480 CB ASP A 30 26.207 -3.145 10.505 1.00 51.20 C ATOM 481 CG ASP A 30 27.499 -2.456 10.111 1.00 71.41 C ATOM 482 OD1 ASP A 30 27.439 -1.291 9.665 1.00 32.22 O ATOM 483 OD2 ASP A 30 28.570 -3.083 10.249 1.00 2.40 O ATOM 0 H ASP A 30 23.867 -3.586 11.142 1.00 60.54 H new ATOM 0 HA ASP A 30 25.052 -1.643 9.490 1.00 63.43 H new ATOM 0 HB2 ASP A 30 25.979 -2.915 11.546 1.00 51.20 H new ATOM 0 HB3 ASP A 30 26.340 -4.225 10.439 1.00 51.20 H new ATOM 488 N GLY A 31 24.336 -4.417 8.029 1.00 64.23 N ATOM 489 CA GLY A 31 24.364 -5.118 6.758 1.00 32.44 C ATOM 490 C GLY A 31 24.640 -6.600 6.920 1.00 70.11 C ATOM 491 O GLY A 31 24.093 -7.424 6.187 1.00 43.41 O ATOM 0 H GLY A 31 23.663 -4.780 8.704 1.00 64.23 H new ATOM 0 HA2 GLY A 31 23.409 -4.983 6.251 1.00 32.44 H new ATOM 0 HA3 GLY A 31 25.129 -4.677 6.120 1.00 32.44 H new ATOM 495 N ALA A 32 25.492 -6.940 7.881 1.00 23.22 N ATOM 496 CA ALA A 32 25.840 -8.333 8.136 1.00 12.44 C ATOM 497 C ALA A 32 25.342 -8.780 9.506 1.00 34.53 C ATOM 498 O ALA A 32 25.851 -9.744 10.079 1.00 4.41 O ATOM 499 CB ALA A 32 27.345 -8.529 8.030 1.00 52.11 C ATOM 0 H ALA A 32 25.954 -6.270 8.496 1.00 23.22 H new ATOM 0 HA ALA A 32 25.351 -8.948 7.381 1.00 12.44 H new ATOM 0 HB1 ALA A 32 27.590 -9.573 8.223 1.00 52.11 H new ATOM 0 HB2 ALA A 32 27.678 -8.257 7.028 1.00 52.11 H new ATOM 0 HB3 ALA A 32 27.847 -7.897 8.763 1.00 52.11 H new ATOM 505 N VAL A 33 24.343 -8.075 10.027 1.00 34.13 N ATOM 506 CA VAL A 33 23.775 -8.401 11.330 1.00 1.53 C ATOM 507 C VAL A 33 22.510 -9.239 11.185 1.00 50.41 C ATOM 508 O VAL A 33 21.549 -9.069 11.936 1.00 24.02 O ATOM 509 CB VAL A 33 23.445 -7.128 12.133 1.00 42.35 C ATOM 510 CG1 VAL A 33 23.244 -7.460 13.603 1.00 21.41 C ATOM 511 CG2 VAL A 33 24.542 -6.089 11.958 1.00 45.24 C ATOM 0 H VAL A 33 23.910 -7.274 9.567 1.00 34.13 H new ATOM 0 HA VAL A 33 24.528 -8.976 11.868 1.00 1.53 H new ATOM 0 HB VAL A 33 22.514 -6.709 11.750 1.00 42.35 H new ATOM 0 HG11 VAL A 33 23.012 -6.548 14.153 1.00 21.41 H new ATOM 0 HG12 VAL A 33 22.420 -8.166 13.707 1.00 21.41 H new ATOM 0 HG13 VAL A 33 24.155 -7.904 14.004 1.00 21.41 H new ATOM 0 HG21 VAL A 33 24.293 -5.196 12.532 1.00 45.24 H new ATOM 0 HG22 VAL A 33 25.489 -6.496 12.313 1.00 45.24 H new ATOM 0 HG23 VAL A 33 24.632 -5.829 10.903 1.00 45.24 H new ATOM 521 N LYS A 34 22.516 -10.145 10.213 1.00 12.13 N ATOM 522 CA LYS A 34 21.370 -11.012 9.969 1.00 73.53 C ATOM 523 C LYS A 34 20.095 -10.193 9.793 1.00 31.52 C ATOM 524 O LYS A 34 19.188 -10.226 10.626 1.00 42.35 O ATOM 525 CB LYS A 34 21.198 -12.002 11.123 1.00 32.31 C ATOM 526 CG LYS A 34 22.496 -12.660 11.559 1.00 74.13 C ATOM 527 CD LYS A 34 22.238 -13.894 12.407 1.00 61.43 C ATOM 528 CE LYS A 34 21.944 -15.112 11.544 1.00 54.11 C ATOM 529 NZ LYS A 34 22.260 -16.383 12.252 1.00 65.12 N ATOM 0 H LYS A 34 23.302 -10.298 9.581 1.00 12.13 H new ATOM 0 HA LYS A 34 21.555 -11.565 9.048 1.00 73.53 H new ATOM 0 HB2 LYS A 34 20.760 -11.482 11.975 1.00 32.31 H new ATOM 0 HB3 LYS A 34 20.491 -12.776 10.824 1.00 32.31 H new ATOM 0 HG2 LYS A 34 23.078 -12.937 10.680 1.00 74.13 H new ATOM 0 HG3 LYS A 34 23.094 -11.947 12.126 1.00 74.13 H new ATOM 0 HD2 LYS A 34 23.106 -14.093 13.035 1.00 61.43 H new ATOM 0 HD3 LYS A 34 21.397 -13.708 13.075 1.00 61.43 H new ATOM 0 HE2 LYS A 34 20.893 -15.108 11.257 1.00 54.11 H new ATOM 0 HE3 LYS A 34 22.526 -15.054 10.624 1.00 54.11 H new ATOM 0 HZ1 LYS A 34 22.046 -17.189 11.631 1.00 65.12 H new ATOM 0 HZ2 LYS A 34 23.269 -16.398 12.504 1.00 65.12 H new ATOM 0 HZ3 LYS A 34 21.686 -16.451 13.117 1.00 65.12 H new ATOM 543 N PRO A 35 20.021 -9.442 8.684 1.00 20.35 N ATOM 544 CA PRO A 35 18.861 -8.602 8.373 1.00 34.42 C ATOM 545 C PRO A 35 17.628 -9.426 8.015 1.00 22.04 C ATOM 546 O PRO A 35 17.704 -10.633 7.785 1.00 60.03 O ATOM 547 CB PRO A 35 19.327 -7.786 7.165 1.00 23.13 C ATOM 548 CG PRO A 35 20.382 -8.623 6.527 1.00 12.12 C ATOM 549 CD PRO A 35 21.064 -9.355 7.649 1.00 64.50 C ATOM 0 HA PRO A 35 18.559 -7.993 9.225 1.00 34.42 H new ATOM 0 HB2 PRO A 35 18.504 -7.593 6.476 1.00 23.13 H new ATOM 0 HB3 PRO A 35 19.721 -6.817 7.470 1.00 23.13 H new ATOM 0 HG2 PRO A 35 19.947 -9.322 5.813 1.00 12.12 H new ATOM 0 HG3 PRO A 35 21.091 -8.005 5.977 1.00 12.12 H new ATOM 0 HD2 PRO A 35 21.403 -10.343 7.337 1.00 64.50 H new ATOM 0 HD3 PRO A 35 21.941 -8.815 8.007 1.00 64.50 H new ATOM 557 N PRO A 36 16.464 -8.761 7.967 1.00 45.20 N ATOM 558 CA PRO A 36 15.193 -9.412 7.637 1.00 64.24 C ATOM 559 C PRO A 36 15.123 -9.838 6.174 1.00 23.12 C ATOM 560 O PRO A 36 15.847 -9.313 5.328 1.00 41.53 O ATOM 561 CB PRO A 36 14.153 -8.328 7.928 1.00 31.03 C ATOM 562 CG PRO A 36 14.893 -7.043 7.780 1.00 74.41 C ATOM 563 CD PRO A 36 16.300 -7.321 8.230 1.00 30.45 C ATOM 0 HA PRO A 36 15.044 -10.329 8.208 1.00 64.24 H new ATOM 0 HB2 PRO A 36 13.316 -8.385 7.232 1.00 31.03 H new ATOM 0 HB3 PRO A 36 13.741 -8.434 8.931 1.00 31.03 H new ATOM 0 HG2 PRO A 36 14.875 -6.699 6.746 1.00 74.41 H new ATOM 0 HG3 PRO A 36 14.438 -6.259 8.385 1.00 74.41 H new ATOM 0 HD2 PRO A 36 17.025 -6.726 7.674 1.00 30.45 H new ATOM 0 HD3 PRO A 36 16.438 -7.087 9.286 1.00 30.45 H new ATOM 571 N THR A 37 14.247 -10.794 5.882 1.00 15.02 N ATOM 572 CA THR A 37 14.082 -11.291 4.522 1.00 3.01 C ATOM 573 C THR A 37 12.886 -10.638 3.839 1.00 63.03 C ATOM 574 O THR A 37 11.747 -11.068 4.016 1.00 4.11 O ATOM 575 CB THR A 37 13.899 -12.820 4.501 1.00 23.30 C ATOM 576 OG1 THR A 37 15.049 -13.459 5.066 1.00 24.14 O ATOM 577 CG2 THR A 37 13.682 -13.320 3.081 1.00 44.24 C ATOM 0 H THR A 37 13.640 -11.240 6.570 1.00 15.02 H new ATOM 0 HA THR A 37 14.992 -11.034 3.979 1.00 3.01 H new ATOM 0 HB THR A 37 13.019 -13.066 5.095 1.00 23.30 H new ATOM 0 HG1 THR A 37 14.924 -14.431 5.050 1.00 24.14 H new ATOM 0 HG21 THR A 37 13.555 -14.403 3.092 1.00 44.24 H new ATOM 0 HG22 THR A 37 12.789 -12.854 2.664 1.00 44.24 H new ATOM 0 HG23 THR A 37 14.546 -13.062 2.468 1.00 44.24 H new ATOM 585 N ASN A 38 13.153 -9.597 3.056 1.00 21.42 N ATOM 586 CA ASN A 38 12.098 -8.885 2.346 1.00 55.14 C ATOM 587 C ASN A 38 11.136 -8.219 3.325 1.00 1.21 C ATOM 588 O ASN A 38 9.961 -8.016 3.019 1.00 40.05 O ATOM 589 CB ASN A 38 11.330 -9.845 1.434 1.00 45.44 C ATOM 590 CG ASN A 38 12.233 -10.884 0.798 1.00 24.44 C ATOM 591 OD1 ASN A 38 13.285 -10.557 0.248 1.00 11.24 O ATOM 592 ND2 ASN A 38 11.825 -12.146 0.872 1.00 44.04 N ATOM 0 H ASN A 38 14.091 -9.229 2.898 1.00 21.42 H new ATOM 0 HA ASN A 38 12.564 -8.110 1.738 1.00 55.14 H new ATOM 0 HB2 ASN A 38 10.553 -10.347 2.011 1.00 45.44 H new ATOM 0 HB3 ASN A 38 10.828 -9.276 0.652 1.00 45.44 H new ATOM 0 HD21 ASN A 38 12.391 -12.890 0.463 1.00 44.04 H new ATOM 0 HD22 ASN A 38 10.946 -12.371 1.338 1.00 44.04 H new ATOM 599 N LYS A 39 11.643 -7.880 4.505 1.00 4.24 N ATOM 600 CA LYS A 39 10.832 -7.235 5.531 1.00 40.42 C ATOM 601 C LYS A 39 11.635 -6.170 6.270 1.00 5.51 C ATOM 602 O LYS A 39 12.831 -6.000 6.028 1.00 42.42 O ATOM 603 CB LYS A 39 10.308 -8.274 6.524 1.00 15.01 C ATOM 604 CG LYS A 39 9.772 -9.532 5.862 1.00 0.23 C ATOM 605 CD LYS A 39 8.605 -10.118 6.640 1.00 44.42 C ATOM 606 CE LYS A 39 9.030 -11.333 7.450 1.00 74.23 C ATOM 607 NZ LYS A 39 9.193 -12.541 6.594 1.00 41.45 N ATOM 0 H LYS A 39 12.613 -8.041 4.775 1.00 4.24 H new ATOM 0 HA LYS A 39 9.987 -6.752 5.040 1.00 40.42 H new ATOM 0 HB2 LYS A 39 11.111 -8.548 7.208 1.00 15.01 H new ATOM 0 HB3 LYS A 39 9.517 -7.824 7.124 1.00 15.01 H new ATOM 0 HG2 LYS A 39 9.454 -9.302 4.845 1.00 0.23 H new ATOM 0 HG3 LYS A 39 10.569 -10.272 5.787 1.00 0.23 H new ATOM 0 HD2 LYS A 39 8.194 -9.360 7.307 1.00 44.42 H new ATOM 0 HD3 LYS A 39 7.810 -10.400 5.949 1.00 44.42 H new ATOM 0 HE2 LYS A 39 9.970 -11.119 7.959 1.00 74.23 H new ATOM 0 HE3 LYS A 39 8.287 -11.533 8.222 1.00 74.23 H new ATOM 0 HZ1 LYS A 39 9.483 -13.347 7.183 1.00 41.45 H new ATOM 0 HZ2 LYS A 39 8.290 -12.760 6.127 1.00 41.45 H new ATOM 0 HZ3 LYS A 39 9.920 -12.360 5.873 1.00 41.45 H new ATOM 621 N LEU A 40 10.972 -5.456 7.173 1.00 5.41 N ATOM 622 CA LEU A 40 11.626 -4.407 7.950 1.00 73.54 C ATOM 623 C LEU A 40 11.293 -4.541 9.432 1.00 2.23 C ATOM 624 O LEU A 40 10.290 -5.142 9.817 1.00 21.21 O ATOM 625 CB LEU A 40 11.200 -3.029 7.442 1.00 40.22 C ATOM 626 CG LEU A 40 9.755 -2.909 6.955 1.00 24.41 C ATOM 627 CD1 LEU A 40 9.229 -1.501 7.186 1.00 61.34 C ATOM 628 CD2 LEU A 40 9.656 -3.284 5.483 1.00 12.34 C ATOM 0 H LEU A 40 9.983 -5.584 7.386 1.00 5.41 H new ATOM 0 HA LEU A 40 12.704 -4.515 7.827 1.00 73.54 H new ATOM 0 HB2 LEU A 40 11.353 -2.306 8.243 1.00 40.22 H new ATOM 0 HB3 LEU A 40 11.862 -2.745 6.624 1.00 40.22 H new ATOM 0 HG LEU A 40 9.139 -3.602 7.528 1.00 24.41 H new ATOM 0 HD11 LEU A 40 8.200 -1.435 6.833 1.00 61.34 H new ATOM 0 HD12 LEU A 40 9.263 -1.270 8.251 1.00 61.34 H new ATOM 0 HD13 LEU A 40 9.846 -0.788 6.640 1.00 61.34 H new ATOM 0 HD21 LEU A 40 8.621 -3.193 5.153 1.00 12.34 H new ATOM 0 HD22 LEU A 40 10.285 -2.616 4.894 1.00 12.34 H new ATOM 0 HD23 LEU A 40 9.991 -4.312 5.346 1.00 12.34 H new ATOM 640 N PRO A 41 12.153 -3.965 10.286 1.00 72.11 N ATOM 641 CA PRO A 41 11.970 -4.004 11.740 1.00 50.51 C ATOM 642 C PRO A 41 10.792 -3.152 12.199 1.00 55.53 C ATOM 643 O PRO A 41 10.723 -1.959 11.901 1.00 2.42 O ATOM 644 CB PRO A 41 13.284 -3.432 12.278 1.00 63.41 C ATOM 645 CG PRO A 41 13.802 -2.572 11.177 1.00 0.04 C ATOM 646 CD PRO A 41 13.369 -3.232 9.897 1.00 2.33 C ATOM 0 HA PRO A 41 11.749 -5.010 12.096 1.00 50.51 H new ATOM 0 HB2 PRO A 41 13.121 -2.855 13.188 1.00 63.41 H new ATOM 0 HB3 PRO A 41 13.989 -4.225 12.526 1.00 63.41 H new ATOM 0 HG2 PRO A 41 13.401 -1.561 11.250 1.00 0.04 H new ATOM 0 HG3 PRO A 41 14.888 -2.488 11.225 1.00 0.04 H new ATOM 0 HD2 PRO A 41 13.164 -2.499 9.116 1.00 2.33 H new ATOM 0 HD3 PRO A 41 14.137 -3.903 9.511 1.00 2.33 H new ATOM 654 N ILE A 42 9.867 -3.771 12.924 1.00 13.13 N ATOM 655 CA ILE A 42 8.692 -3.068 13.425 1.00 21.01 C ATOM 656 C ILE A 42 8.617 -3.137 14.947 1.00 45.34 C ATOM 657 O ILE A 42 8.346 -4.193 15.519 1.00 42.34 O ATOM 658 CB ILE A 42 7.394 -3.647 12.832 1.00 20.10 C ATOM 659 CG1 ILE A 42 7.523 -3.795 11.315 1.00 74.54 C ATOM 660 CG2 ILE A 42 6.209 -2.761 13.185 1.00 40.55 C ATOM 661 CD1 ILE A 42 7.828 -2.495 10.604 1.00 21.51 C ATOM 0 H ILE A 42 9.908 -4.758 13.178 1.00 13.13 H new ATOM 0 HA ILE A 42 8.791 -2.028 13.115 1.00 21.01 H new ATOM 0 HB ILE A 42 7.224 -4.634 13.261 1.00 20.10 H new ATOM 0 HG12 ILE A 42 8.312 -4.514 11.094 1.00 74.54 H new ATOM 0 HG13 ILE A 42 6.595 -4.208 10.918 1.00 74.54 H new ATOM 0 HG21 ILE A 42 5.299 -3.183 12.759 1.00 40.55 H new ATOM 0 HG22 ILE A 42 6.109 -2.702 14.269 1.00 40.55 H new ATOM 0 HG23 ILE A 42 6.369 -1.761 12.781 1.00 40.55 H new ATOM 0 HD11 ILE A 42 7.906 -2.676 9.532 1.00 21.51 H new ATOM 0 HD12 ILE A 42 7.028 -1.780 10.794 1.00 21.51 H new ATOM 0 HD13 ILE A 42 8.771 -2.091 10.973 1.00 21.51 H new ATOM 673 N PHE A 43 8.858 -2.003 15.597 1.00 24.21 N ATOM 674 CA PHE A 43 8.818 -1.934 17.053 1.00 12.11 C ATOM 675 C PHE A 43 7.393 -1.702 17.547 1.00 32.31 C ATOM 676 O PHE A 43 6.848 -0.606 17.414 1.00 71.34 O ATOM 677 CB PHE A 43 9.732 -0.816 17.557 1.00 4.34 C ATOM 678 CG PHE A 43 9.931 -0.829 19.046 1.00 24.50 C ATOM 679 CD1 PHE A 43 10.390 -1.969 19.686 1.00 24.33 C ATOM 680 CD2 PHE A 43 9.660 0.297 19.805 1.00 1.50 C ATOM 681 CE1 PHE A 43 10.573 -1.985 21.056 1.00 5.21 C ATOM 682 CE2 PHE A 43 9.842 0.288 21.175 1.00 13.12 C ATOM 683 CZ PHE A 43 10.300 -0.854 21.801 1.00 21.44 C ATOM 0 H PHE A 43 9.083 -1.120 15.139 1.00 24.21 H new ATOM 0 HA PHE A 43 9.170 -2.887 17.447 1.00 12.11 H new ATOM 0 HB2 PHE A 43 10.702 -0.903 17.068 1.00 4.34 H new ATOM 0 HB3 PHE A 43 9.312 0.146 17.263 1.00 4.34 H new ATOM 0 HD1 PHE A 43 10.607 -2.855 19.108 1.00 24.33 H new ATOM 0 HD2 PHE A 43 9.302 1.193 19.320 1.00 1.50 H new ATOM 0 HE1 PHE A 43 10.929 -2.881 21.543 1.00 5.21 H new ATOM 0 HE2 PHE A 43 9.626 1.173 21.755 1.00 13.12 H new ATOM 0 HZ PHE A 43 10.445 -0.863 22.871 1.00 21.44 H new ATOM 693 N PHE A 44 6.794 -2.743 18.118 1.00 44.43 N ATOM 694 CA PHE A 44 5.432 -2.654 18.631 1.00 61.35 C ATOM 695 C PHE A 44 5.390 -1.852 19.928 1.00 42.33 C ATOM 696 O PHE A 44 5.918 -2.281 20.954 1.00 71.11 O ATOM 697 CB PHE A 44 4.861 -4.054 18.865 1.00 21.32 C ATOM 698 CG PHE A 44 4.245 -4.664 17.639 1.00 54.45 C ATOM 699 CD1 PHE A 44 3.272 -3.982 16.925 1.00 60.45 C ATOM 700 CD2 PHE A 44 4.637 -5.918 17.200 1.00 43.22 C ATOM 701 CE1 PHE A 44 2.703 -4.540 15.795 1.00 31.00 C ATOM 702 CE2 PHE A 44 4.072 -6.480 16.071 1.00 62.31 C ATOM 703 CZ PHE A 44 3.103 -5.791 15.368 1.00 31.14 C ATOM 0 H PHE A 44 7.231 -3.657 18.237 1.00 44.43 H new ATOM 0 HA PHE A 44 4.823 -2.140 17.887 1.00 61.35 H new ATOM 0 HB2 PHE A 44 5.657 -4.706 19.225 1.00 21.32 H new ATOM 0 HB3 PHE A 44 4.109 -4.004 19.653 1.00 21.32 H new ATOM 0 HD1 PHE A 44 2.955 -3.004 17.255 1.00 60.45 H new ATOM 0 HD2 PHE A 44 5.393 -6.463 17.746 1.00 43.22 H new ATOM 0 HE1 PHE A 44 1.947 -3.998 15.247 1.00 31.00 H new ATOM 0 HE2 PHE A 44 4.388 -7.458 15.738 1.00 62.31 H new ATOM 0 HZ PHE A 44 2.659 -6.230 14.486 1.00 31.14 H new ATOM 713 N PHE A 45 4.759 -0.683 19.873 1.00 24.44 N ATOM 714 CA PHE A 45 4.649 0.181 21.043 1.00 44.14 C ATOM 715 C PHE A 45 3.550 -0.309 21.980 1.00 32.41 C ATOM 716 O PHE A 45 2.528 -0.832 21.537 1.00 63.34 O ATOM 717 CB PHE A 45 4.364 1.622 20.613 1.00 31.41 C ATOM 718 CG PHE A 45 5.604 2.446 20.419 1.00 42.14 C ATOM 719 CD1 PHE A 45 6.586 2.485 21.395 1.00 4.10 C ATOM 720 CD2 PHE A 45 5.788 3.183 19.259 1.00 34.34 C ATOM 721 CE1 PHE A 45 7.729 3.243 21.219 1.00 22.51 C ATOM 722 CE2 PHE A 45 6.928 3.942 19.078 1.00 63.53 C ATOM 723 CZ PHE A 45 7.900 3.972 20.059 1.00 13.52 C ATOM 0 H PHE A 45 4.317 -0.313 19.032 1.00 24.44 H new ATOM 0 HA PHE A 45 5.598 0.149 21.578 1.00 44.14 H new ATOM 0 HB2 PHE A 45 3.797 1.609 19.682 1.00 31.41 H new ATOM 0 HB3 PHE A 45 3.734 2.099 21.364 1.00 31.41 H new ATOM 0 HD1 PHE A 45 6.457 1.917 22.304 1.00 4.10 H new ATOM 0 HD2 PHE A 45 5.032 3.163 18.488 1.00 34.34 H new ATOM 0 HE1 PHE A 45 8.487 3.265 21.988 1.00 22.51 H new ATOM 0 HE2 PHE A 45 7.059 4.512 18.170 1.00 63.53 H new ATOM 0 HZ PHE A 45 8.792 4.565 19.919 1.00 13.52 H new ATOM 733 N GLY A 46 3.768 -0.137 23.280 1.00 2.23 N ATOM 734 CA GLY A 46 2.789 -0.567 24.261 1.00 75.44 C ATOM 735 C GLY A 46 3.044 -1.978 24.755 1.00 53.55 C ATOM 736 O GLY A 46 2.841 -2.278 25.932 1.00 61.15 O ATOM 0 H GLY A 46 4.606 0.293 23.672 1.00 2.23 H new ATOM 0 HA2 GLY A 46 2.802 0.119 25.108 1.00 75.44 H new ATOM 0 HA3 GLY A 46 1.792 -0.513 23.823 1.00 75.44 H new ATOM 740 N THR A 47 3.489 -2.847 23.853 1.00 74.40 N ATOM 741 CA THR A 47 3.769 -4.234 24.202 1.00 30.34 C ATOM 742 C THR A 47 5.267 -4.515 24.179 1.00 61.12 C ATOM 743 O THR A 47 5.710 -5.605 24.542 1.00 63.35 O ATOM 744 CB THR A 47 3.060 -5.209 23.244 1.00 62.54 C ATOM 745 OG1 THR A 47 3.543 -5.022 21.909 1.00 42.24 O ATOM 746 CG2 THR A 47 1.554 -5.002 23.277 1.00 34.10 C ATOM 0 H THR A 47 3.663 -2.615 22.875 1.00 74.40 H new ATOM 0 HA THR A 47 3.389 -4.389 25.212 1.00 30.34 H new ATOM 0 HB THR A 47 3.278 -6.226 23.570 1.00 62.54 H new ATOM 0 HG1 THR A 47 3.119 -5.674 21.313 1.00 42.24 H new ATOM 0 HG21 THR A 47 1.075 -5.702 22.592 1.00 34.10 H new ATOM 0 HG22 THR A 47 1.185 -5.174 24.288 1.00 34.10 H new ATOM 0 HG23 THR A 47 1.320 -3.981 22.974 1.00 34.10 H new ATOM 754 N HIS A 48 6.044 -3.525 23.750 1.00 14.14 N ATOM 755 CA HIS A 48 7.494 -3.666 23.681 1.00 13.31 C ATOM 756 C HIS A 48 7.882 -4.896 22.866 1.00 13.21 C ATOM 757 O HIS A 48 8.883 -5.551 23.153 1.00 1.32 O ATOM 758 CB HIS A 48 8.086 -3.764 25.087 1.00 15.24 C ATOM 759 CG HIS A 48 8.101 -2.459 25.823 1.00 21.20 C ATOM 760 ND1 HIS A 48 7.960 -1.240 25.195 1.00 12.44 N ATOM 761 CD2 HIS A 48 8.241 -2.188 27.142 1.00 73.12 C ATOM 762 CE1 HIS A 48 8.014 -0.275 26.096 1.00 14.40 C ATOM 763 NE2 HIS A 48 8.183 -0.824 27.285 1.00 0.43 N ATOM 0 H HIS A 48 5.694 -2.617 23.445 1.00 14.14 H new ATOM 0 HA HIS A 48 7.897 -2.782 23.186 1.00 13.31 H new ATOM 0 HB2 HIS A 48 7.513 -4.490 25.664 1.00 15.24 H new ATOM 0 HB3 HIS A 48 9.105 -4.144 25.018 1.00 15.24 H new ATOM 0 HD2 HIS A 48 8.374 -2.910 27.934 1.00 73.12 H new ATOM 0 HE1 HIS A 48 7.934 0.783 25.894 1.00 14.40 H new ATOM 0 HE2 HIS A 48 8.258 -0.317 28.167 1.00 0.43 H new ATOM 771 N GLU A 49 7.082 -5.203 21.850 1.00 74.21 N ATOM 772 CA GLU A 49 7.342 -6.356 20.995 1.00 14.34 C ATOM 773 C GLU A 49 8.002 -5.926 19.689 1.00 64.13 C ATOM 774 O GLU A 49 8.161 -4.734 19.421 1.00 32.34 O ATOM 775 CB GLU A 49 6.040 -7.103 20.700 1.00 72.34 C ATOM 776 CG GLU A 49 5.260 -7.484 21.947 1.00 72.34 C ATOM 777 CD GLU A 49 3.892 -8.055 21.627 1.00 31.44 C ATOM 778 OE1 GLU A 49 3.123 -7.384 20.908 1.00 34.01 O ATOM 779 OE2 GLU A 49 3.590 -9.173 22.097 1.00 45.45 O ATOM 0 H GLU A 49 6.249 -4.670 21.599 1.00 74.21 H new ATOM 0 HA GLU A 49 8.023 -7.023 21.524 1.00 14.34 H new ATOM 0 HB2 GLU A 49 5.410 -6.481 20.064 1.00 72.34 H new ATOM 0 HB3 GLU A 49 6.270 -8.007 20.135 1.00 72.34 H new ATOM 0 HG2 GLU A 49 5.831 -8.216 22.519 1.00 72.34 H new ATOM 0 HG3 GLU A 49 5.144 -6.605 22.581 1.00 72.34 H new ATOM 786 N THR A 50 8.387 -6.906 18.877 1.00 45.02 N ATOM 787 CA THR A 50 9.033 -6.631 17.599 1.00 14.03 C ATOM 788 C THR A 50 8.722 -7.721 16.580 1.00 34.33 C ATOM 789 O THR A 50 8.956 -8.903 16.831 1.00 64.05 O ATOM 790 CB THR A 50 10.560 -6.511 17.756 1.00 63.13 C ATOM 791 OG1 THR A 50 11.190 -6.558 16.470 1.00 15.32 O ATOM 792 CG2 THR A 50 11.104 -7.629 18.633 1.00 51.22 C ATOM 0 H THR A 50 8.263 -7.897 19.082 1.00 45.02 H new ATOM 0 HA THR A 50 8.636 -5.680 17.242 1.00 14.03 H new ATOM 0 HB THR A 50 10.780 -5.556 18.234 1.00 63.13 H new ATOM 0 HG1 THR A 50 12.161 -6.480 16.578 1.00 15.32 H new ATOM 0 HG21 THR A 50 12.185 -7.523 18.729 1.00 51.22 H new ATOM 0 HG22 THR A 50 10.645 -7.573 19.620 1.00 51.22 H new ATOM 0 HG23 THR A 50 10.873 -8.593 18.179 1.00 51.22 H new ATOM 800 N ALA A 51 8.192 -7.316 15.430 1.00 25.43 N ATOM 801 CA ALA A 51 7.852 -8.259 14.372 1.00 30.32 C ATOM 802 C ALA A 51 8.338 -7.761 13.016 1.00 63.25 C ATOM 803 O ALA A 51 8.340 -6.559 12.748 1.00 21.35 O ATOM 804 CB ALA A 51 6.350 -8.498 14.341 1.00 34.14 C ATOM 0 H ALA A 51 7.989 -6.341 15.208 1.00 25.43 H new ATOM 0 HA ALA A 51 8.355 -9.202 14.585 1.00 30.32 H new ATOM 0 HB1 ALA A 51 6.110 -9.204 13.546 1.00 34.14 H new ATOM 0 HB2 ALA A 51 6.027 -8.906 15.299 1.00 34.14 H new ATOM 0 HB3 ALA A 51 5.835 -7.555 14.156 1.00 34.14 H new ATOM 810 N PHE A 52 8.751 -8.692 12.162 1.00 61.22 N ATOM 811 CA PHE A 52 9.242 -8.347 10.833 1.00 72.14 C ATOM 812 C PHE A 52 8.124 -8.445 9.798 1.00 25.30 C ATOM 813 O PHE A 52 7.583 -9.524 9.553 1.00 34.10 O ATOM 814 CB PHE A 52 10.399 -9.267 10.439 1.00 45.55 C ATOM 815 CG PHE A 52 11.704 -8.898 11.084 1.00 5.23 C ATOM 816 CD1 PHE A 52 12.237 -7.629 10.925 1.00 1.33 C ATOM 817 CD2 PHE A 52 12.399 -9.821 11.850 1.00 12.40 C ATOM 818 CE1 PHE A 52 13.438 -7.286 11.518 1.00 14.15 C ATOM 819 CE2 PHE A 52 13.599 -9.483 12.446 1.00 63.40 C ATOM 820 CZ PHE A 52 14.120 -8.215 12.279 1.00 60.00 C ATOM 0 H PHE A 52 8.755 -9.691 12.367 1.00 61.22 H new ATOM 0 HA PHE A 52 9.599 -7.317 10.860 1.00 72.14 H new ATOM 0 HB2 PHE A 52 10.146 -10.292 10.710 1.00 45.55 H new ATOM 0 HB3 PHE A 52 10.519 -9.244 9.356 1.00 45.55 H new ATOM 0 HD1 PHE A 52 11.708 -6.899 10.331 1.00 1.33 H new ATOM 0 HD2 PHE A 52 11.998 -10.815 11.982 1.00 12.40 H new ATOM 0 HE1 PHE A 52 13.842 -6.293 11.386 1.00 14.15 H new ATOM 0 HE2 PHE A 52 14.129 -10.210 13.042 1.00 63.40 H new ATOM 0 HZ PHE A 52 15.059 -7.950 12.743 1.00 60.00 H new ATOM 830 N LEU A 53 7.784 -7.312 9.194 1.00 24.12 N ATOM 831 CA LEU A 53 6.731 -7.269 8.186 1.00 41.43 C ATOM 832 C LEU A 53 7.098 -6.312 7.056 1.00 64.45 C ATOM 833 O LEU A 53 7.472 -5.165 7.296 1.00 32.10 O ATOM 834 CB LEU A 53 5.407 -6.841 8.821 1.00 50.20 C ATOM 835 CG LEU A 53 5.066 -7.489 10.163 1.00 21.12 C ATOM 836 CD1 LEU A 53 3.982 -6.698 10.878 1.00 12.11 C ATOM 837 CD2 LEU A 53 4.631 -8.933 9.963 1.00 74.33 C ATOM 0 H LEU A 53 8.222 -6.411 9.385 1.00 24.12 H new ATOM 0 HA LEU A 53 6.620 -8.270 7.769 1.00 41.43 H new ATOM 0 HB2 LEU A 53 5.425 -5.760 8.957 1.00 50.20 H new ATOM 0 HB3 LEU A 53 4.603 -7.061 8.119 1.00 50.20 H new ATOM 0 HG LEU A 53 5.961 -7.483 10.785 1.00 21.12 H new ATOM 0 HD11 LEU A 53 3.753 -7.174 11.831 1.00 12.11 H new ATOM 0 HD12 LEU A 53 4.331 -5.681 11.055 1.00 12.11 H new ATOM 0 HD13 LEU A 53 3.084 -6.671 10.261 1.00 12.11 H new ATOM 0 HD21 LEU A 53 4.392 -9.378 10.929 1.00 74.33 H new ATOM 0 HD22 LEU A 53 3.750 -8.962 9.322 1.00 74.33 H new ATOM 0 HD23 LEU A 53 5.439 -9.495 9.494 1.00 74.33 H new ATOM 849 N GLY A 54 6.988 -6.793 5.821 1.00 74.13 N ATOM 850 CA GLY A 54 7.310 -5.967 4.672 1.00 74.44 C ATOM 851 C GLY A 54 6.454 -4.719 4.597 1.00 54.33 C ATOM 852 O GLY A 54 5.604 -4.471 5.452 1.00 15.22 O ATOM 0 H GLY A 54 6.682 -7.740 5.596 1.00 74.13 H new ATOM 0 HA2 GLY A 54 8.361 -5.681 4.717 1.00 74.44 H new ATOM 0 HA3 GLY A 54 7.177 -6.550 3.761 1.00 74.44 H new ATOM 856 N PRO A 55 6.676 -3.906 3.553 1.00 10.33 N ATOM 857 CA PRO A 55 5.929 -2.662 3.346 1.00 50.41 C ATOM 858 C PRO A 55 4.475 -2.915 2.964 1.00 72.54 C ATOM 859 O PRO A 55 3.575 -2.187 3.383 1.00 23.13 O ATOM 860 CB PRO A 55 6.676 -1.988 2.192 1.00 55.12 C ATOM 861 CG PRO A 55 7.327 -3.108 1.457 1.00 70.12 C ATOM 862 CD PRO A 55 7.673 -4.139 2.495 1.00 5.25 C ATOM 0 HA PRO A 55 5.883 -2.059 4.253 1.00 50.41 H new ATOM 0 HB2 PRO A 55 5.993 -1.436 1.547 1.00 55.12 H new ATOM 0 HB3 PRO A 55 7.413 -1.275 2.561 1.00 55.12 H new ATOM 0 HG2 PRO A 55 6.657 -3.522 0.704 1.00 70.12 H new ATOM 0 HG3 PRO A 55 8.220 -2.765 0.935 1.00 70.12 H new ATOM 0 HD2 PRO A 55 7.605 -5.151 2.095 1.00 5.25 H new ATOM 0 HD3 PRO A 55 8.690 -4.010 2.866 1.00 5.25 H new ATOM 870 N LYS A 56 4.250 -3.953 2.165 1.00 64.41 N ATOM 871 CA LYS A 56 2.905 -4.305 1.727 1.00 61.43 C ATOM 872 C LYS A 56 2.074 -4.834 2.892 1.00 63.24 C ATOM 873 O LYS A 56 0.857 -4.981 2.782 1.00 71.12 O ATOM 874 CB LYS A 56 2.967 -5.354 0.613 1.00 0.54 C ATOM 875 CG LYS A 56 3.953 -5.011 -0.490 1.00 54.04 C ATOM 876 CD LYS A 56 3.807 -5.947 -1.678 1.00 52.04 C ATOM 877 CE LYS A 56 4.403 -7.315 -1.386 1.00 61.44 C ATOM 878 NZ LYS A 56 4.214 -8.257 -2.524 1.00 63.15 N ATOM 0 H LYS A 56 4.983 -4.566 1.808 1.00 64.41 H new ATOM 0 HA LYS A 56 2.428 -3.404 1.343 1.00 61.43 H new ATOM 0 HB2 LYS A 56 3.239 -6.316 1.046 1.00 0.54 H new ATOM 0 HB3 LYS A 56 1.974 -5.470 0.178 1.00 0.54 H new ATOM 0 HG2 LYS A 56 3.795 -3.982 -0.814 1.00 54.04 H new ATOM 0 HG3 LYS A 56 4.970 -5.070 -0.102 1.00 54.04 H new ATOM 0 HD2 LYS A 56 2.752 -6.055 -1.930 1.00 52.04 H new ATOM 0 HD3 LYS A 56 4.300 -5.512 -2.548 1.00 52.04 H new ATOM 0 HE2 LYS A 56 5.467 -7.210 -1.175 1.00 61.44 H new ATOM 0 HE3 LYS A 56 3.940 -7.729 -0.491 1.00 61.44 H new ATOM 0 HZ1 LYS A 56 4.634 -9.178 -2.286 1.00 63.15 H new ATOM 0 HZ2 LYS A 56 3.198 -8.377 -2.710 1.00 63.15 H new ATOM 0 HZ3 LYS A 56 4.678 -7.874 -3.372 1.00 63.15 H new ATOM 892 N ASP A 57 2.740 -5.117 4.006 1.00 35.01 N ATOM 893 CA ASP A 57 2.062 -5.627 5.192 1.00 31.04 C ATOM 894 C ASP A 57 1.731 -4.494 6.159 1.00 42.23 C ATOM 895 O ASP A 57 0.737 -4.553 6.883 1.00 52.23 O ATOM 896 CB ASP A 57 2.931 -6.673 5.892 1.00 31.31 C ATOM 897 CG ASP A 57 2.621 -8.084 5.432 1.00 20.45 C ATOM 898 OD1 ASP A 57 2.320 -8.266 4.234 1.00 54.30 O ATOM 899 OD2 ASP A 57 2.681 -9.008 6.271 1.00 12.50 O ATOM 0 H ASP A 57 3.748 -5.002 4.113 1.00 35.01 H new ATOM 0 HA ASP A 57 1.130 -6.094 4.874 1.00 31.04 H new ATOM 0 HB2 ASP A 57 3.982 -6.454 5.702 1.00 31.31 H new ATOM 0 HB3 ASP A 57 2.781 -6.604 6.969 1.00 31.31 H new ATOM 904 N ILE A 58 2.571 -3.464 6.165 1.00 23.50 N ATOM 905 CA ILE A 58 2.368 -2.318 7.042 1.00 32.43 C ATOM 906 C ILE A 58 1.593 -1.213 6.332 1.00 20.43 C ATOM 907 O ILE A 58 1.852 -0.909 5.168 1.00 54.23 O ATOM 908 CB ILE A 58 3.708 -1.749 7.545 1.00 73.03 C ATOM 909 CG1 ILE A 58 4.620 -1.416 6.363 1.00 44.43 C ATOM 910 CG2 ILE A 58 4.385 -2.738 8.482 1.00 42.33 C ATOM 911 CD1 ILE A 58 5.894 -0.705 6.764 1.00 21.44 C ATOM 0 H ILE A 58 3.399 -3.400 5.572 1.00 23.50 H new ATOM 0 HA ILE A 58 1.790 -2.672 7.896 1.00 32.43 H new ATOM 0 HB ILE A 58 3.512 -0.831 8.099 1.00 73.03 H new ATOM 0 HG12 ILE A 58 4.877 -2.338 5.842 1.00 44.43 H new ATOM 0 HG13 ILE A 58 4.072 -0.792 5.656 1.00 44.43 H new ATOM 0 HG21 ILE A 58 5.331 -2.322 8.829 1.00 42.33 H new ATOM 0 HG22 ILE A 58 3.738 -2.930 9.337 1.00 42.33 H new ATOM 0 HG23 ILE A 58 4.573 -3.672 7.952 1.00 42.33 H new ATOM 0 HD11 ILE A 58 6.492 -0.500 5.876 1.00 21.44 H new ATOM 0 HD12 ILE A 58 5.646 0.234 7.259 1.00 21.44 H new ATOM 0 HD13 ILE A 58 6.463 -1.336 7.447 1.00 21.44 H new ATOM 923 N PHE A 59 0.642 -0.615 7.042 1.00 5.32 N ATOM 924 CA PHE A 59 -0.170 0.458 6.481 1.00 72.04 C ATOM 925 C PHE A 59 0.008 1.748 7.275 1.00 1.42 C ATOM 926 O PHE A 59 0.466 1.745 8.418 1.00 12.31 O ATOM 927 CB PHE A 59 -1.646 0.054 6.466 1.00 10.43 C ATOM 928 CG PHE A 59 -2.096 -0.527 5.157 1.00 63.25 C ATOM 929 CD1 PHE A 59 -1.656 -1.777 4.751 1.00 72.00 C ATOM 930 CD2 PHE A 59 -2.958 0.176 4.331 1.00 43.24 C ATOM 931 CE1 PHE A 59 -2.068 -2.315 3.546 1.00 33.45 C ATOM 932 CE2 PHE A 59 -3.374 -0.357 3.125 1.00 25.23 C ATOM 933 CZ PHE A 59 -2.927 -1.604 2.732 1.00 14.12 C ATOM 0 H PHE A 59 0.415 -0.855 8.007 1.00 5.32 H new ATOM 0 HA PHE A 59 0.162 0.634 5.458 1.00 72.04 H new ATOM 0 HB2 PHE A 59 -1.823 -0.674 7.257 1.00 10.43 H new ATOM 0 HB3 PHE A 59 -2.256 0.928 6.695 1.00 10.43 H new ATOM 0 HD1 PHE A 59 -0.983 -2.337 5.383 1.00 72.00 H new ATOM 0 HD2 PHE A 59 -3.309 1.152 4.633 1.00 43.24 H new ATOM 0 HE1 PHE A 59 -1.718 -3.290 3.242 1.00 33.45 H new ATOM 0 HE2 PHE A 59 -4.047 0.201 2.491 1.00 25.23 H new ATOM 0 HZ PHE A 59 -3.249 -2.022 1.790 1.00 14.12 H new ATOM 943 N PRO A 60 -0.361 2.880 6.656 1.00 33.42 N ATOM 944 CA PRO A 60 -0.252 4.199 7.286 1.00 22.31 C ATOM 945 C PRO A 60 -1.248 4.381 8.426 1.00 51.31 C ATOM 946 O PRO A 60 -2.444 4.140 8.262 1.00 14.13 O ATOM 947 CB PRO A 60 -0.566 5.165 6.142 1.00 45.54 C ATOM 948 CG PRO A 60 -1.406 4.376 5.198 1.00 21.14 C ATOM 949 CD PRO A 60 -0.915 2.958 5.294 1.00 62.21 C ATOM 0 HA PRO A 60 0.728 4.356 7.737 1.00 22.31 H new ATOM 0 HB2 PRO A 60 -1.097 6.046 6.503 1.00 45.54 H new ATOM 0 HB3 PRO A 60 0.346 5.518 5.660 1.00 45.54 H new ATOM 0 HG2 PRO A 60 -2.461 4.443 5.465 1.00 21.14 H new ATOM 0 HG3 PRO A 60 -1.310 4.754 4.180 1.00 21.14 H new ATOM 0 HD2 PRO A 60 -1.724 2.242 5.148 1.00 62.21 H new ATOM 0 HD3 PRO A 60 -0.158 2.743 4.540 1.00 62.21 H new ATOM 957 N TYR A 61 -0.748 4.809 9.580 1.00 61.22 N ATOM 958 CA TYR A 61 -1.594 5.022 10.748 1.00 74.13 C ATOM 959 C TYR A 61 -2.602 6.139 10.494 1.00 43.22 C ATOM 960 O TYR A 61 -3.575 6.292 11.231 1.00 33.04 O ATOM 961 CB TYR A 61 -0.738 5.360 11.969 1.00 32.24 C ATOM 962 CG TYR A 61 -0.605 6.844 12.224 1.00 50.35 C ATOM 963 CD1 TYR A 61 0.163 7.646 11.388 1.00 15.31 C ATOM 964 CD2 TYR A 61 -1.248 7.445 13.299 1.00 2.20 C ATOM 965 CE1 TYR A 61 0.288 9.003 11.617 1.00 35.22 C ATOM 966 CE2 TYR A 61 -1.130 8.801 13.535 1.00 43.31 C ATOM 967 CZ TYR A 61 -0.361 9.576 12.692 1.00 64.44 C ATOM 968 OH TYR A 61 -0.240 10.927 12.922 1.00 23.23 O ATOM 0 H TYR A 61 0.239 5.015 9.731 1.00 61.22 H new ATOM 0 HA TYR A 61 -2.142 4.100 10.941 1.00 74.13 H new ATOM 0 HB2 TYR A 61 -1.173 4.886 12.849 1.00 32.24 H new ATOM 0 HB3 TYR A 61 0.256 4.933 11.835 1.00 32.24 H new ATOM 0 HD1 TYR A 61 0.671 7.201 10.545 1.00 15.31 H new ATOM 0 HD2 TYR A 61 -1.851 6.842 13.962 1.00 2.20 H new ATOM 0 HE1 TYR A 61 0.890 9.612 10.959 1.00 35.22 H new ATOM 0 HE2 TYR A 61 -1.637 9.252 14.375 1.00 43.31 H new ATOM 0 HH TYR A 61 0.007 11.079 13.858 1.00 23.23 H new ATOM 978 N SER A 62 -2.360 6.918 9.444 1.00 61.20 N ATOM 979 CA SER A 62 -3.243 8.024 9.093 1.00 71.31 C ATOM 980 C SER A 62 -4.626 7.511 8.702 1.00 11.51 C ATOM 981 O SER A 62 -5.597 8.267 8.685 1.00 10.23 O ATOM 982 CB SER A 62 -2.645 8.837 7.944 1.00 44.13 C ATOM 983 OG SER A 62 -3.212 10.135 7.888 1.00 64.42 O ATOM 0 H SER A 62 -1.560 6.803 8.822 1.00 61.20 H new ATOM 0 HA SER A 62 -3.346 8.666 9.968 1.00 71.31 H new ATOM 0 HB2 SER A 62 -1.565 8.914 8.072 1.00 44.13 H new ATOM 0 HB3 SER A 62 -2.818 8.320 7.000 1.00 44.13 H new ATOM 0 HG SER A 62 -2.812 10.635 7.146 1.00 64.42 H new ATOM 989 N GLU A 63 -4.706 6.222 8.389 1.00 41.04 N ATOM 990 CA GLU A 63 -5.969 5.609 7.997 1.00 35.40 C ATOM 991 C GLU A 63 -6.664 4.978 9.200 1.00 30.34 C ATOM 992 O GLU A 63 -7.888 5.015 9.313 1.00 34.15 O ATOM 993 CB GLU A 63 -5.735 4.550 6.917 1.00 51.40 C ATOM 994 CG GLU A 63 -5.517 5.133 5.531 1.00 54.32 C ATOM 995 CD GLU A 63 -6.697 5.958 5.053 1.00 43.11 C ATOM 996 OE1 GLU A 63 -7.849 5.534 5.284 1.00 4.30 O ATOM 997 OE2 GLU A 63 -6.468 7.026 4.448 1.00 12.21 O ATOM 0 H GLU A 63 -3.912 5.582 8.399 1.00 41.04 H new ATOM 0 HA GLU A 63 -6.613 6.391 7.595 1.00 35.40 H new ATOM 0 HB2 GLU A 63 -4.867 3.950 7.190 1.00 51.40 H new ATOM 0 HB3 GLU A 63 -6.592 3.877 6.888 1.00 51.40 H new ATOM 0 HG2 GLU A 63 -4.623 5.756 5.539 1.00 54.32 H new ATOM 0 HG3 GLU A 63 -5.335 4.323 4.825 1.00 54.32 H new ATOM 1004 N ASN A 64 -5.872 4.398 10.097 1.00 41.23 N ATOM 1005 CA ASN A 64 -6.410 3.758 11.291 1.00 22.25 C ATOM 1006 C ASN A 64 -6.724 4.792 12.368 1.00 24.15 C ATOM 1007 O ASN A 64 -7.813 4.797 12.941 1.00 14.24 O ATOM 1008 CB ASN A 64 -5.418 2.726 11.833 1.00 52.03 C ATOM 1009 CG ASN A 64 -5.133 1.619 10.836 1.00 52.53 C ATOM 1010 OD1 ASN A 64 -4.106 1.629 10.157 1.00 2.25 O ATOM 1011 ND2 ASN A 64 -6.045 0.658 10.742 1.00 2.33 N ATOM 0 H ASN A 64 -4.856 4.359 10.019 1.00 41.23 H new ATOM 0 HA ASN A 64 -7.336 3.253 11.016 1.00 22.25 H new ATOM 0 HB2 ASN A 64 -4.485 3.225 12.094 1.00 52.03 H new ATOM 0 HB3 ASN A 64 -5.815 2.292 12.751 1.00 52.03 H new ATOM 0 HD21 ASN A 64 -5.909 -0.112 10.087 1.00 2.33 H new ATOM 0 HD22 ASN A 64 -6.882 0.690 11.325 1.00 2.33 H new ATOM 1018 N LYS A 65 -5.761 5.667 12.639 1.00 51.11 N ATOM 1019 CA LYS A 65 -5.933 6.708 13.645 1.00 35.13 C ATOM 1020 C LYS A 65 -7.175 7.545 13.355 1.00 32.02 C ATOM 1021 O LYS A 65 -7.813 8.062 14.271 1.00 14.23 O ATOM 1022 CB LYS A 65 -4.698 7.609 13.693 1.00 4.33 C ATOM 1023 CG LYS A 65 -4.637 8.620 12.561 1.00 74.32 C ATOM 1024 CD LYS A 65 -5.270 9.943 12.960 1.00 64.44 C ATOM 1025 CE LYS A 65 -4.695 11.100 12.157 1.00 63.51 C ATOM 1026 NZ LYS A 65 -5.460 12.359 12.372 1.00 32.42 N ATOM 0 H LYS A 65 -4.853 5.675 12.175 1.00 51.11 H new ATOM 0 HA LYS A 65 -6.060 6.225 14.614 1.00 35.13 H new ATOM 0 HB2 LYS A 65 -4.683 8.141 14.645 1.00 4.33 H new ATOM 0 HB3 LYS A 65 -3.804 6.987 13.662 1.00 4.33 H new ATOM 0 HG2 LYS A 65 -3.598 8.784 12.274 1.00 74.32 H new ATOM 0 HG3 LYS A 65 -5.149 8.220 11.686 1.00 74.32 H new ATOM 0 HD2 LYS A 65 -6.348 9.893 12.807 1.00 64.44 H new ATOM 0 HD3 LYS A 65 -5.107 10.120 14.023 1.00 64.44 H new ATOM 0 HE2 LYS A 65 -3.654 11.255 12.439 1.00 63.51 H new ATOM 0 HE3 LYS A 65 -4.704 10.846 11.097 1.00 63.51 H new ATOM 0 HZ1 LYS A 65 -5.037 13.123 11.808 1.00 32.42 H new ATOM 0 HZ2 LYS A 65 -6.448 12.219 12.079 1.00 32.42 H new ATOM 0 HZ3 LYS A 65 -5.430 12.616 13.379 1.00 32.42 H new ATOM 1040 N GLU A 66 -7.512 7.672 12.075 1.00 10.25 N ATOM 1041 CA GLU A 66 -8.678 8.446 11.667 1.00 53.25 C ATOM 1042 C GLU A 66 -9.950 7.608 11.767 1.00 2.40 C ATOM 1043 O GLU A 66 -11.058 8.143 11.809 1.00 40.24 O ATOM 1044 CB GLU A 66 -8.503 8.957 10.235 1.00 63.21 C ATOM 1045 CG GLU A 66 -8.509 7.854 9.190 1.00 22.41 C ATOM 1046 CD GLU A 66 -8.621 8.390 7.776 1.00 34.21 C ATOM 1047 OE1 GLU A 66 -7.772 9.217 7.385 1.00 25.22 O ATOM 1048 OE2 GLU A 66 -9.560 7.982 7.061 1.00 71.55 O ATOM 0 H GLU A 66 -6.995 7.249 11.304 1.00 10.25 H new ATOM 0 HA GLU A 66 -8.770 9.298 12.341 1.00 53.25 H new ATOM 0 HB2 GLU A 66 -9.302 9.663 10.010 1.00 63.21 H new ATOM 0 HB3 GLU A 66 -7.564 9.506 10.166 1.00 63.21 H new ATOM 0 HG2 GLU A 66 -7.595 7.268 9.281 1.00 22.41 H new ATOM 0 HG3 GLU A 66 -9.342 7.178 9.385 1.00 22.41 H new ATOM 1055 N LYS A 67 -9.782 6.291 11.805 1.00 24.10 N ATOM 1056 CA LYS A 67 -10.914 5.377 11.901 1.00 3.12 C ATOM 1057 C LYS A 67 -11.475 5.353 13.320 1.00 45.15 C ATOM 1058 O LYS A 67 -12.645 5.665 13.540 1.00 71.12 O ATOM 1059 CB LYS A 67 -10.493 3.966 11.484 1.00 54.14 C ATOM 1060 CG LYS A 67 -10.826 3.635 10.039 1.00 21.11 C ATOM 1061 CD LYS A 67 -12.162 2.920 9.924 1.00 22.11 C ATOM 1062 CE LYS A 67 -13.326 3.881 10.109 1.00 30.14 C ATOM 1063 NZ LYS A 67 -13.365 4.918 9.041 1.00 60.50 N ATOM 0 H LYS A 67 -8.872 5.832 11.771 1.00 24.10 H new ATOM 0 HA LYS A 67 -11.694 5.731 11.227 1.00 3.12 H new ATOM 0 HB2 LYS A 67 -9.419 3.857 11.635 1.00 54.14 H new ATOM 0 HB3 LYS A 67 -10.982 3.242 12.136 1.00 54.14 H new ATOM 0 HG2 LYS A 67 -10.852 4.553 9.451 1.00 21.11 H new ATOM 0 HG3 LYS A 67 -10.040 3.009 9.618 1.00 21.11 H new ATOM 0 HD2 LYS A 67 -12.236 2.440 8.948 1.00 22.11 H new ATOM 0 HD3 LYS A 67 -12.219 2.130 10.673 1.00 22.11 H new ATOM 0 HE2 LYS A 67 -14.262 3.322 10.107 1.00 30.14 H new ATOM 0 HE3 LYS A 67 -13.246 4.365 11.082 1.00 30.14 H new ATOM 0 HZ1 LYS A 67 -14.323 5.318 8.980 1.00 60.50 H new ATOM 0 HZ2 LYS A 67 -12.688 5.674 9.267 1.00 60.50 H new ATOM 0 HZ3 LYS A 67 -13.111 4.487 8.129 1.00 60.50 H new ATOM 1077 N TYR A 68 -10.632 4.983 14.278 1.00 73.35 N ATOM 1078 CA TYR A 68 -11.045 4.917 15.675 1.00 44.45 C ATOM 1079 C TYR A 68 -10.059 5.663 16.569 1.00 41.11 C ATOM 1080 O TYR A 68 -10.403 6.091 17.670 1.00 61.30 O ATOM 1081 CB TYR A 68 -11.159 3.461 16.127 1.00 74.33 C ATOM 1082 CG TYR A 68 -11.180 2.472 14.983 1.00 22.43 C ATOM 1083 CD1 TYR A 68 -12.351 2.218 14.280 1.00 62.44 C ATOM 1084 CD2 TYR A 68 -10.029 1.790 14.607 1.00 1.32 C ATOM 1085 CE1 TYR A 68 -12.375 1.314 13.235 1.00 44.34 C ATOM 1086 CE2 TYR A 68 -10.043 0.886 13.563 1.00 40.44 C ATOM 1087 CZ TYR A 68 -11.218 0.652 12.880 1.00 71.33 C ATOM 1088 OH TYR A 68 -11.237 -0.249 11.839 1.00 24.15 O ATOM 0 H TYR A 68 -9.659 4.724 14.113 1.00 73.35 H new ATOM 0 HA TYR A 68 -12.021 5.394 15.762 1.00 44.45 H new ATOM 0 HB2 TYR A 68 -10.321 3.226 16.784 1.00 74.33 H new ATOM 0 HB3 TYR A 68 -12.069 3.342 16.716 1.00 74.33 H new ATOM 0 HD1 TYR A 68 -13.258 2.736 14.555 1.00 62.44 H new ATOM 0 HD2 TYR A 68 -9.107 1.970 15.141 1.00 1.32 H new ATOM 0 HE1 TYR A 68 -13.294 1.127 12.699 1.00 44.34 H new ATOM 0 HE2 TYR A 68 -9.139 0.365 13.283 1.00 40.44 H new ATOM 0 HH TYR A 68 -10.341 -0.627 11.717 1.00 24.15 H new ATOM 1098 N GLY A 69 -8.830 5.816 16.085 1.00 23.25 N ATOM 1099 CA GLY A 69 -7.812 6.510 16.852 1.00 1.23 C ATOM 1100 C GLY A 69 -7.255 5.662 17.978 1.00 23.12 C ATOM 1101 O GLY A 69 -6.200 5.969 18.534 1.00 12.44 O ATOM 0 H GLY A 69 -8.521 5.472 15.176 1.00 23.25 H new ATOM 0 HA2 GLY A 69 -7.000 6.805 16.188 1.00 1.23 H new ATOM 0 HA3 GLY A 69 -8.235 7.426 17.266 1.00 1.23 H new ATOM 1105 N LYS A 70 -7.965 4.591 18.317 1.00 4.11 N ATOM 1106 CA LYS A 70 -7.536 3.695 19.384 1.00 31.15 C ATOM 1107 C LYS A 70 -8.017 2.271 19.125 1.00 64.32 C ATOM 1108 O LYS A 70 -8.999 2.040 18.419 1.00 0.34 O ATOM 1109 CB LYS A 70 -8.066 4.185 20.734 1.00 52.33 C ATOM 1110 CG LYS A 70 -9.571 4.394 20.757 1.00 65.22 C ATOM 1111 CD LYS A 70 -9.963 5.523 21.694 1.00 4.44 C ATOM 1112 CE LYS A 70 -11.458 5.525 21.970 1.00 55.32 C ATOM 1113 NZ LYS A 70 -11.868 6.690 22.802 1.00 3.23 N ATOM 0 H LYS A 70 -8.841 4.323 17.868 1.00 4.11 H new ATOM 0 HA LYS A 70 -6.446 3.694 19.407 1.00 31.15 H new ATOM 0 HB2 LYS A 70 -7.796 3.463 21.505 1.00 52.33 H new ATOM 0 HB3 LYS A 70 -7.573 5.123 20.990 1.00 52.33 H new ATOM 0 HG2 LYS A 70 -9.924 4.617 19.750 1.00 65.22 H new ATOM 0 HG3 LYS A 70 -10.062 3.473 21.070 1.00 65.22 H new ATOM 0 HD2 LYS A 70 -9.419 5.423 22.633 1.00 4.44 H new ATOM 0 HD3 LYS A 70 -9.672 6.478 21.257 1.00 4.44 H new ATOM 0 HE2 LYS A 70 -12.001 5.544 21.025 1.00 55.32 H new ATOM 0 HE3 LYS A 70 -11.735 4.601 22.478 1.00 55.32 H new ATOM 0 HZ1 LYS A 70 -12.894 6.654 22.967 1.00 3.23 H new ATOM 0 HZ2 LYS A 70 -11.369 6.658 23.714 1.00 3.23 H new ATOM 0 HZ3 LYS A 70 -11.628 7.572 22.306 1.00 3.23 H new ATOM 1127 N PRO A 71 -7.310 1.291 19.708 1.00 11.24 N ATOM 1128 CA PRO A 71 -7.648 -0.127 19.556 1.00 63.10 C ATOM 1129 C PRO A 71 -8.940 -0.496 20.277 1.00 61.14 C ATOM 1130 O PRO A 71 -9.288 0.104 21.292 1.00 13.22 O ATOM 1131 CB PRO A 71 -6.456 -0.846 20.193 1.00 10.14 C ATOM 1132 CG PRO A 71 -5.898 0.135 21.166 1.00 31.01 C ATOM 1133 CD PRO A 71 -6.128 1.493 20.563 1.00 63.05 C ATOM 0 HA PRO A 71 -7.818 -0.396 18.513 1.00 63.10 H new ATOM 0 HB2 PRO A 71 -6.767 -1.764 20.691 1.00 10.14 H new ATOM 0 HB3 PRO A 71 -5.715 -1.125 19.444 1.00 10.14 H new ATOM 0 HG2 PRO A 71 -6.392 0.049 22.134 1.00 31.01 H new ATOM 0 HG3 PRO A 71 -4.836 -0.043 21.334 1.00 31.01 H new ATOM 0 HD2 PRO A 71 -6.310 2.247 21.329 1.00 63.05 H new ATOM 0 HD3 PRO A 71 -5.266 1.827 19.985 1.00 63.05 H new ATOM 1141 N ASN A 72 -9.647 -1.488 19.744 1.00 5.11 N ATOM 1142 CA ASN A 72 -10.901 -1.937 20.337 1.00 10.22 C ATOM 1143 C ASN A 72 -10.679 -3.165 21.214 1.00 32.50 C ATOM 1144 O ASN A 72 -10.996 -3.158 22.404 1.00 63.51 O ATOM 1145 CB ASN A 72 -11.922 -2.255 19.243 1.00 64.14 C ATOM 1146 CG ASN A 72 -13.352 -2.138 19.734 1.00 44.33 C ATOM 1147 OD1 ASN A 72 -14.064 -3.135 19.850 1.00 64.33 O ATOM 1148 ND2 ASN A 72 -13.779 -0.914 20.025 1.00 64.44 N ATOM 0 H ASN A 72 -9.373 -1.996 18.903 1.00 5.11 H new ATOM 0 HA ASN A 72 -11.287 -1.132 20.962 1.00 10.22 H new ATOM 0 HB2 ASN A 72 -11.773 -1.577 18.403 1.00 64.14 H new ATOM 0 HB3 ASN A 72 -11.750 -3.265 18.872 1.00 64.14 H new ATOM 0 HD21 ASN A 72 -14.732 -0.772 20.360 1.00 64.44 H new ATOM 0 HD22 ASN A 72 -13.154 -0.116 19.914 1.00 64.44 H new ATOM 1155 N LYS A 73 -10.133 -4.220 20.618 1.00 5.23 N ATOM 1156 CA LYS A 73 -9.866 -5.456 21.344 1.00 63.24 C ATOM 1157 C LYS A 73 -8.378 -5.790 21.320 1.00 24.33 C ATOM 1158 O LYS A 73 -7.995 -6.960 21.301 1.00 22.34 O ATOM 1159 CB LYS A 73 -10.668 -6.610 20.738 1.00 21.21 C ATOM 1160 CG LYS A 73 -12.134 -6.607 21.136 1.00 3.41 C ATOM 1161 CD LYS A 73 -12.915 -7.679 20.396 1.00 71.30 C ATOM 1162 CE LYS A 73 -14.388 -7.657 20.775 1.00 21.51 C ATOM 1163 NZ LYS A 73 -15.028 -8.989 20.589 1.00 32.13 N ATOM 0 H LYS A 73 -9.867 -4.244 19.634 1.00 5.23 H new ATOM 0 HA LYS A 73 -10.172 -5.313 22.380 1.00 63.24 H new ATOM 0 HB2 LYS A 73 -10.595 -6.561 19.652 1.00 21.21 H new ATOM 0 HB3 LYS A 73 -10.219 -7.554 21.045 1.00 21.21 H new ATOM 0 HG2 LYS A 73 -12.221 -6.769 22.210 1.00 3.41 H new ATOM 0 HG3 LYS A 73 -12.567 -5.629 20.925 1.00 3.41 H new ATOM 0 HD2 LYS A 73 -12.812 -7.529 19.321 1.00 71.30 H new ATOM 0 HD3 LYS A 73 -12.494 -8.659 20.623 1.00 71.30 H new ATOM 0 HE2 LYS A 73 -14.491 -7.347 21.815 1.00 21.51 H new ATOM 0 HE3 LYS A 73 -14.908 -6.916 20.168 1.00 21.51 H new ATOM 0 HZ1 LYS A 73 -16.031 -8.933 20.858 1.00 32.13 H new ATOM 0 HZ2 LYS A 73 -14.952 -9.274 19.592 1.00 32.13 H new ATOM 0 HZ3 LYS A 73 -14.548 -9.691 21.187 1.00 32.13 H new ATOM 1177 N ARG A 74 -7.543 -4.756 21.323 1.00 13.22 N ATOM 1178 CA ARG A 74 -6.097 -4.940 21.303 1.00 73.33 C ATOM 1179 C ARG A 74 -5.493 -4.655 22.674 1.00 12.45 C ATOM 1180 O ARG A 74 -5.551 -3.528 23.168 1.00 34.44 O ATOM 1181 CB ARG A 74 -5.460 -4.028 20.253 1.00 51.00 C ATOM 1182 CG ARG A 74 -6.333 -3.807 19.028 1.00 5.21 C ATOM 1183 CD ARG A 74 -6.654 -5.118 18.329 1.00 64.43 C ATOM 1184 NE ARG A 74 -8.093 -5.343 18.220 1.00 44.30 N ATOM 1185 CZ ARG A 74 -8.872 -4.709 17.350 1.00 24.04 C ATOM 1186 NH1 ARG A 74 -8.353 -3.817 16.518 1.00 43.00 N ATOM 1187 NH2 ARG A 74 -10.172 -4.968 17.312 1.00 55.31 N ATOM 0 H ARG A 74 -7.844 -3.781 21.339 1.00 13.22 H new ATOM 0 HA ARG A 74 -5.892 -5.979 21.044 1.00 73.33 H new ATOM 0 HB2 ARG A 74 -5.237 -3.063 20.709 1.00 51.00 H new ATOM 0 HB3 ARG A 74 -4.509 -4.459 19.938 1.00 51.00 H new ATOM 0 HG2 ARG A 74 -7.259 -3.315 19.324 1.00 5.21 H new ATOM 0 HG3 ARG A 74 -5.825 -3.138 18.334 1.00 5.21 H new ATOM 0 HD2 ARG A 74 -6.211 -5.115 17.333 1.00 64.43 H new ATOM 0 HD3 ARG A 74 -6.199 -5.942 18.878 1.00 64.43 H new ATOM 0 HE ARG A 74 -8.523 -6.024 18.846 1.00 44.30 H new ATOM 0 HH11 ARG A 74 -7.353 -3.616 16.545 1.00 43.00 H new ATOM 0 HH12 ARG A 74 -8.953 -3.332 15.851 1.00 43.00 H new ATOM 0 HH21 ARG A 74 -10.574 -5.654 17.951 1.00 55.31 H new ATOM 0 HH22 ARG A 74 -10.770 -4.481 16.644 1.00 55.31 H new ATOM 1201 N LYS A 75 -4.914 -5.682 23.286 1.00 65.34 N ATOM 1202 CA LYS A 75 -4.298 -5.543 24.600 1.00 63.22 C ATOM 1203 C LYS A 75 -3.185 -4.501 24.572 1.00 44.34 C ATOM 1204 O LYS A 75 -2.439 -4.401 23.598 1.00 11.31 O ATOM 1205 CB LYS A 75 -3.739 -6.889 25.069 1.00 51.41 C ATOM 1206 CG LYS A 75 -2.915 -6.795 26.341 1.00 1.43 C ATOM 1207 CD LYS A 75 -2.607 -8.170 26.909 1.00 44.01 C ATOM 1208 CE LYS A 75 -1.934 -8.073 28.270 1.00 73.42 C ATOM 1209 NZ LYS A 75 -0.646 -7.330 28.200 1.00 1.15 N ATOM 0 H LYS A 75 -4.858 -6.621 22.892 1.00 65.34 H new ATOM 0 HA LYS A 75 -5.065 -5.211 25.300 1.00 63.22 H new ATOM 0 HB2 LYS A 75 -4.566 -7.580 25.232 1.00 51.41 H new ATOM 0 HB3 LYS A 75 -3.122 -7.313 24.277 1.00 51.41 H new ATOM 0 HG2 LYS A 75 -1.983 -6.269 26.134 1.00 1.43 H new ATOM 0 HG3 LYS A 75 -3.455 -6.207 27.083 1.00 1.43 H new ATOM 0 HD2 LYS A 75 -3.530 -8.743 26.998 1.00 44.01 H new ATOM 0 HD3 LYS A 75 -1.960 -8.713 26.220 1.00 44.01 H new ATOM 0 HE2 LYS A 75 -2.603 -7.574 28.971 1.00 73.42 H new ATOM 0 HE3 LYS A 75 -1.754 -9.075 28.659 1.00 73.42 H new ATOM 0 HZ1 LYS A 75 -0.154 -7.401 29.113 1.00 1.15 H new ATOM 0 HZ2 LYS A 75 -0.050 -7.739 27.452 1.00 1.15 H new ATOM 0 HZ3 LYS A 75 -0.833 -6.330 27.985 1.00 1.15 H new ATOM 1223 N GLY A 76 -3.077 -3.726 25.647 1.00 34.43 N ATOM 1224 CA GLY A 76 -2.052 -2.703 25.725 1.00 4.23 C ATOM 1225 C GLY A 76 -2.574 -1.329 25.356 1.00 54.15 C ATOM 1226 O GLY A 76 -1.803 -0.378 25.225 1.00 54.14 O ATOM 0 H GLY A 76 -3.682 -3.789 26.466 1.00 34.43 H new ATOM 0 HA2 GLY A 76 -1.648 -2.675 26.737 1.00 4.23 H new ATOM 0 HA3 GLY A 76 -1.229 -2.966 25.060 1.00 4.23 H new ATOM 1230 N PHE A 77 -3.888 -1.224 25.185 1.00 50.50 N ATOM 1231 CA PHE A 77 -4.513 0.044 24.825 1.00 30.11 C ATOM 1232 C PHE A 77 -4.252 1.102 25.894 1.00 74.43 C ATOM 1233 O PHE A 77 -4.119 0.786 27.075 1.00 32.31 O ATOM 1234 CB PHE A 77 -6.019 -0.142 24.633 1.00 75.53 C ATOM 1235 CG PHE A 77 -6.748 -0.483 25.901 1.00 32.31 C ATOM 1236 CD1 PHE A 77 -6.888 -1.802 26.302 1.00 21.23 C ATOM 1237 CD2 PHE A 77 -7.293 0.515 26.692 1.00 21.05 C ATOM 1238 CE1 PHE A 77 -7.559 -2.119 27.469 1.00 44.54 C ATOM 1239 CE2 PHE A 77 -7.964 0.205 27.860 1.00 34.31 C ATOM 1240 CZ PHE A 77 -8.096 -1.114 28.249 1.00 15.11 C ATOM 0 H PHE A 77 -4.540 -2.001 25.290 1.00 50.50 H new ATOM 0 HA PHE A 77 -4.073 0.384 23.887 1.00 30.11 H new ATOM 0 HB2 PHE A 77 -6.440 0.773 24.217 1.00 75.53 H new ATOM 0 HB3 PHE A 77 -6.189 -0.932 23.902 1.00 75.53 H new ATOM 0 HD1 PHE A 77 -6.468 -2.592 25.696 1.00 21.23 H new ATOM 0 HD2 PHE A 77 -7.192 1.548 26.393 1.00 21.05 H new ATOM 0 HE1 PHE A 77 -7.663 -3.151 27.770 1.00 44.54 H new ATOM 0 HE2 PHE A 77 -8.384 0.993 28.468 1.00 34.31 H new ATOM 0 HZ PHE A 77 -8.618 -1.359 29.162 1.00 15.11 H new ATOM 1250 N ASN A 78 -4.180 2.359 25.468 1.00 34.33 N ATOM 1251 CA ASN A 78 -3.934 3.464 26.388 1.00 75.23 C ATOM 1252 C ASN A 78 -2.559 3.337 27.035 1.00 21.12 C ATOM 1253 O ASN A 78 -2.299 3.928 28.083 1.00 62.42 O ATOM 1254 CB ASN A 78 -5.017 3.506 27.468 1.00 11.31 C ATOM 1255 CG ASN A 78 -5.749 4.834 27.502 1.00 43.25 C ATOM 1256 OD1 ASN A 78 -5.981 5.401 28.570 1.00 72.35 O ATOM 1257 ND2 ASN A 78 -6.116 5.337 26.329 1.00 44.05 N ATOM 0 H ASN A 78 -4.288 2.638 24.493 1.00 34.33 H new ATOM 0 HA ASN A 78 -3.963 4.393 25.818 1.00 75.23 H new ATOM 0 HB2 ASN A 78 -5.734 2.704 27.291 1.00 11.31 H new ATOM 0 HB3 ASN A 78 -4.563 3.319 28.441 1.00 11.31 H new ATOM 0 HD21 ASN A 78 -6.611 6.228 26.289 1.00 44.05 H new ATOM 0 HD22 ASN A 78 -5.903 4.832 25.469 1.00 44.05 H new ATOM 1264 N GLU A 79 -1.682 2.563 26.403 1.00 34.41 N ATOM 1265 CA GLU A 79 -0.334 2.359 26.918 1.00 24.52 C ATOM 1266 C GLU A 79 0.711 2.758 25.880 1.00 25.33 C ATOM 1267 O GLU A 79 1.536 1.943 25.469 1.00 5.10 O ATOM 1268 CB GLU A 79 -0.134 0.896 27.323 1.00 50.43 C ATOM 1269 CG GLU A 79 -1.290 0.324 28.126 1.00 5.03 C ATOM 1270 CD GLU A 79 -0.838 -0.306 29.430 1.00 52.51 C ATOM 1271 OE1 GLU A 79 -0.136 -1.337 29.378 1.00 72.21 O ATOM 1272 OE2 GLU A 79 -1.187 0.233 30.501 1.00 23.43 O ATOM 0 H GLU A 79 -1.881 2.067 25.534 1.00 34.41 H new ATOM 0 HA GLU A 79 -0.209 2.992 27.797 1.00 24.52 H new ATOM 0 HB2 GLU A 79 0.006 0.295 26.425 1.00 50.43 H new ATOM 0 HB3 GLU A 79 0.781 0.812 27.909 1.00 50.43 H new ATOM 0 HG2 GLU A 79 -2.007 1.117 28.339 1.00 5.03 H new ATOM 0 HG3 GLU A 79 -1.810 -0.423 27.526 1.00 5.03 H new ATOM 1279 N GLY A 80 0.669 4.019 25.461 1.00 73.35 N ATOM 1280 CA GLY A 80 1.616 4.505 24.474 1.00 33.40 C ATOM 1281 C GLY A 80 0.944 4.917 23.179 1.00 12.34 C ATOM 1282 O GLY A 80 1.605 5.374 22.246 1.00 62.41 O ATOM 0 H GLY A 80 -0.004 4.713 25.787 1.00 73.35 H new ATOM 0 HA2 GLY A 80 2.159 5.356 24.885 1.00 33.40 H new ATOM 0 HA3 GLY A 80 2.351 3.727 24.267 1.00 33.40 H new ATOM 1286 N LEU A 81 -0.373 4.756 23.121 1.00 75.21 N ATOM 1287 CA LEU A 81 -1.136 5.114 21.930 1.00 60.52 C ATOM 1288 C LEU A 81 -1.060 6.614 21.665 1.00 35.21 C ATOM 1289 O LEU A 81 -0.969 7.047 20.517 1.00 43.44 O ATOM 1290 CB LEU A 81 -2.596 4.685 22.087 1.00 61.31 C ATOM 1291 CG LEU A 81 -3.546 5.115 20.968 1.00 22.55 C ATOM 1292 CD1 LEU A 81 -3.677 4.014 19.927 1.00 34.24 C ATOM 1293 CD2 LEU A 81 -4.909 5.479 21.537 1.00 34.24 C ATOM 0 H LEU A 81 -0.935 4.380 23.885 1.00 75.21 H new ATOM 0 HA LEU A 81 -0.700 4.591 21.079 1.00 60.52 H new ATOM 0 HB2 LEU A 81 -2.628 3.598 22.166 1.00 61.31 H new ATOM 0 HB3 LEU A 81 -2.972 5.084 23.029 1.00 61.31 H new ATOM 0 HG LEU A 81 -3.130 5.998 20.483 1.00 22.55 H new ATOM 0 HD11 LEU A 81 -4.357 4.338 19.139 1.00 34.24 H new ATOM 0 HD12 LEU A 81 -2.698 3.801 19.497 1.00 34.24 H new ATOM 0 HD13 LEU A 81 -4.070 3.113 20.398 1.00 34.24 H new ATOM 0 HD21 LEU A 81 -5.572 5.783 20.727 1.00 34.24 H new ATOM 0 HD22 LEU A 81 -5.333 4.614 22.048 1.00 34.24 H new ATOM 0 HD23 LEU A 81 -4.800 6.301 22.244 1.00 34.24 H new ATOM 1305 N TRP A 82 -1.098 7.400 22.734 1.00 4.35 N ATOM 1306 CA TRP A 82 -1.031 8.853 22.618 1.00 71.44 C ATOM 1307 C TRP A 82 0.398 9.312 22.350 1.00 11.42 C ATOM 1308 O TRP A 82 0.629 10.461 21.975 1.00 1.22 O ATOM 1309 CB TRP A 82 -1.562 9.512 23.891 1.00 13.32 C ATOM 1310 CG TRP A 82 -1.325 10.991 23.938 1.00 45.33 C ATOM 1311 CD1 TRP A 82 -2.153 11.970 23.467 1.00 62.20 C ATOM 1312 CD2 TRP A 82 -0.182 11.659 24.484 1.00 65.35 C ATOM 1313 NE1 TRP A 82 -1.593 13.205 23.687 1.00 15.43 N ATOM 1314 CE2 TRP A 82 -0.385 13.042 24.310 1.00 24.13 C ATOM 1315 CE3 TRP A 82 0.993 11.223 25.104 1.00 74.05 C ATOM 1316 CZ2 TRP A 82 0.544 13.989 24.734 1.00 52.02 C ATOM 1317 CZ3 TRP A 82 1.913 12.164 25.523 1.00 2.31 C ATOM 1318 CH2 TRP A 82 1.685 13.534 25.338 1.00 55.24 C ATOM 0 H TRP A 82 -1.175 7.056 23.691 1.00 4.35 H new ATOM 0 HA TRP A 82 -1.653 9.155 21.775 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -2.632 9.320 23.972 1.00 13.32 H new ATOM 0 HB3 TRP A 82 -1.089 9.048 24.756 1.00 13.32 H new ATOM 0 HD1 TRP A 82 -3.107 11.798 22.992 1.00 62.20 H new ATOM 0 HE1 TRP A 82 -2.010 14.099 23.428 1.00 15.43 H new ATOM 0 HE3 TRP A 82 1.178 10.169 25.253 1.00 74.05 H new ATOM 0 HZ2 TRP A 82 0.370 15.045 24.591 1.00 52.02 H new ATOM 0 HZ3 TRP A 82 2.825 11.838 26.002 1.00 2.31 H new ATOM 0 HH2 TRP A 82 2.424 14.245 25.678 1.00 55.24 H new ATOM 1329 N GLU A 83 1.352 8.408 22.546 1.00 64.14 N ATOM 1330 CA GLU A 83 2.759 8.723 22.325 1.00 0.24 C ATOM 1331 C GLU A 83 3.118 8.606 20.847 1.00 60.50 C ATOM 1332 O GLU A 83 4.104 9.184 20.389 1.00 11.00 O ATOM 1333 CB GLU A 83 3.649 7.793 23.153 1.00 14.21 C ATOM 1334 CG GLU A 83 3.766 8.202 24.612 1.00 51.12 C ATOM 1335 CD GLU A 83 4.412 7.130 25.468 1.00 14.11 C ATOM 1336 OE1 GLU A 83 4.849 6.105 24.904 1.00 1.14 O ATOM 1337 OE2 GLU A 83 4.479 7.316 26.701 1.00 23.30 O ATOM 0 H GLU A 83 1.177 7.452 22.857 1.00 64.14 H new ATOM 0 HA GLU A 83 2.928 9.752 22.641 1.00 0.24 H new ATOM 0 HB2 GLU A 83 3.251 6.780 23.099 1.00 14.21 H new ATOM 0 HB3 GLU A 83 4.645 7.768 22.710 1.00 14.21 H new ATOM 0 HG2 GLU A 83 4.351 9.119 24.683 1.00 51.12 H new ATOM 0 HG3 GLU A 83 2.774 8.425 25.004 1.00 51.12 H new ATOM 1344 N ILE A 84 2.312 7.853 20.107 1.00 73.54 N ATOM 1345 CA ILE A 84 2.544 7.659 18.681 1.00 54.24 C ATOM 1346 C ILE A 84 2.427 8.976 17.921 1.00 11.41 C ATOM 1347 O ILE A 84 2.977 9.126 16.830 1.00 51.51 O ATOM 1348 CB ILE A 84 1.552 6.645 18.081 1.00 31.44 C ATOM 1349 CG1 ILE A 84 2.069 6.125 16.739 1.00 63.34 C ATOM 1350 CG2 ILE A 84 0.179 7.280 17.916 1.00 23.33 C ATOM 1351 CD1 ILE A 84 1.147 5.120 16.084 1.00 65.12 C ATOM 0 H ILE A 84 1.492 7.367 20.471 1.00 73.54 H new ATOM 0 HA ILE A 84 3.557 7.270 18.577 1.00 54.24 H new ATOM 0 HB ILE A 84 1.460 5.801 18.765 1.00 31.44 H new ATOM 0 HG12 ILE A 84 2.213 6.968 16.063 1.00 63.34 H new ATOM 0 HG13 ILE A 84 3.046 5.666 16.889 1.00 63.34 H new ATOM 0 HG21 ILE A 84 -0.510 6.551 17.491 1.00 23.33 H new ATOM 0 HG22 ILE A 84 -0.191 7.605 18.888 1.00 23.33 H new ATOM 0 HG23 ILE A 84 0.253 8.140 17.250 1.00 23.33 H new ATOM 0 HD11 ILE A 84 1.577 4.795 15.137 1.00 65.12 H new ATOM 0 HD12 ILE A 84 1.022 4.259 16.741 1.00 65.12 H new ATOM 0 HD13 ILE A 84 0.176 5.581 15.902 1.00 65.12 H new ATOM 1363 N ASP A 85 1.709 9.929 18.506 1.00 31.43 N ATOM 1364 CA ASP A 85 1.522 11.235 17.887 1.00 41.45 C ATOM 1365 C ASP A 85 2.176 12.332 18.722 1.00 34.43 C ATOM 1366 O ASP A 85 2.032 13.518 18.429 1.00 24.31 O ATOM 1367 CB ASP A 85 0.032 11.531 17.710 1.00 41.43 C ATOM 1368 CG ASP A 85 -0.241 12.447 16.533 1.00 44.33 C ATOM 1369 OD1 ASP A 85 0.553 12.427 15.568 1.00 1.15 O ATOM 1370 OD2 ASP A 85 -1.248 13.184 16.575 1.00 30.44 O ATOM 0 H ASP A 85 1.247 9.821 19.409 1.00 31.43 H new ATOM 0 HA ASP A 85 1.999 11.216 16.907 1.00 41.45 H new ATOM 0 HB2 ASP A 85 -0.507 10.594 17.570 1.00 41.43 H new ATOM 0 HB3 ASP A 85 -0.355 11.989 18.620 1.00 41.43 H new ATOM 1375 N ASN A 86 2.892 11.926 19.765 1.00 24.53 N ATOM 1376 CA ASN A 86 3.567 12.873 20.645 1.00 54.51 C ATOM 1377 C ASN A 86 5.005 12.440 20.912 1.00 71.13 C ATOM 1378 O ASN A 86 5.952 13.093 20.475 1.00 74.20 O ATOM 1379 CB ASN A 86 2.808 13.003 21.967 1.00 34.11 C ATOM 1380 CG ASN A 86 1.516 13.783 21.818 1.00 35.31 C ATOM 1381 OD1 ASN A 86 1.447 14.964 22.159 1.00 23.54 O ATOM 1382 ND2 ASN A 86 0.483 13.124 21.306 1.00 34.52 N ATOM 0 H ASN A 86 3.020 10.947 20.022 1.00 24.53 H new ATOM 0 HA ASN A 86 3.586 13.842 20.147 1.00 54.51 H new ATOM 0 HB2 ASN A 86 2.586 12.009 22.355 1.00 34.11 H new ATOM 0 HB3 ASN A 86 3.445 13.497 22.701 1.00 34.11 H new ATOM 0 HD21 ASN A 86 -0.412 13.596 21.182 1.00 34.52 H new ATOM 0 HD22 ASN A 86 0.585 12.145 21.037 1.00 34.52 H new ATOM 1389 N ASN A 87 5.160 11.333 21.631 1.00 12.44 N ATOM 1390 CA ASN A 87 6.482 10.812 21.957 1.00 45.05 C ATOM 1391 C ASN A 87 6.746 9.501 21.222 1.00 1.01 C ATOM 1392 O ASN A 87 6.639 8.412 21.786 1.00 13.04 O ATOM 1393 CB ASN A 87 6.613 10.599 23.466 1.00 14.01 C ATOM 1394 CG ASN A 87 8.052 10.397 23.900 1.00 52.44 C ATOM 1395 OD1 ASN A 87 8.980 10.577 23.111 1.00 1.23 O ATOM 1396 ND2 ASN A 87 8.243 10.022 25.159 1.00 61.32 N ATOM 0 H ASN A 87 4.386 10.780 21.999 1.00 12.44 H new ATOM 0 HA ASN A 87 7.223 11.544 21.636 1.00 45.05 H new ATOM 0 HB2 ASN A 87 6.196 11.460 23.989 1.00 14.01 H new ATOM 0 HB3 ASN A 87 6.023 9.731 23.760 1.00 14.01 H new ATOM 0 HD21 ASN A 87 9.189 9.871 25.508 1.00 61.32 H new ATOM 0 HD22 ASN A 87 7.443 9.885 25.777 1.00 61.32 H new ATOM 1403 N PRO A 88 7.100 9.606 19.933 1.00 42.03 N ATOM 1404 CA PRO A 88 7.388 8.439 19.093 1.00 12.22 C ATOM 1405 C PRO A 88 8.683 7.742 19.494 1.00 45.12 C ATOM 1406 O PRO A 88 8.997 6.659 18.999 1.00 50.23 O ATOM 1407 CB PRO A 88 7.513 9.035 17.689 1.00 63.03 C ATOM 1408 CG PRO A 88 7.912 10.453 17.913 1.00 61.21 C ATOM 1409 CD PRO A 88 7.248 10.872 19.195 1.00 13.01 C ATOM 0 HA PRO A 88 6.616 7.674 19.179 1.00 12.22 H new ATOM 0 HB2 PRO A 88 8.258 8.503 17.098 1.00 63.03 H new ATOM 0 HB3 PRO A 88 6.570 8.970 17.146 1.00 63.03 H new ATOM 0 HG2 PRO A 88 8.996 10.547 17.986 1.00 61.21 H new ATOM 0 HG3 PRO A 88 7.593 11.084 17.084 1.00 61.21 H new ATOM 0 HD2 PRO A 88 7.856 11.590 19.746 1.00 13.01 H new ATOM 0 HD3 PRO A 88 6.283 11.345 19.012 1.00 13.01 H new ATOM 1417 N LYS A 89 9.433 8.369 20.394 1.00 45.13 N ATOM 1418 CA LYS A 89 10.695 7.809 20.863 1.00 21.31 C ATOM 1419 C LYS A 89 10.653 7.557 22.367 1.00 75.21 C ATOM 1420 O LYS A 89 11.606 7.861 23.085 1.00 74.55 O ATOM 1421 CB LYS A 89 11.852 8.751 20.526 1.00 44.43 C ATOM 1422 CG LYS A 89 11.779 10.087 21.245 1.00 34.13 C ATOM 1423 CD LYS A 89 12.551 11.164 20.503 1.00 42.15 C ATOM 1424 CE LYS A 89 12.599 12.462 21.294 1.00 54.11 C ATOM 1425 NZ LYS A 89 13.325 12.299 22.584 1.00 40.34 N ATOM 0 H LYS A 89 9.188 9.266 20.813 1.00 45.13 H new ATOM 0 HA LYS A 89 10.851 6.857 20.356 1.00 21.31 H new ATOM 0 HB2 LYS A 89 12.793 8.262 20.780 1.00 44.43 H new ATOM 0 HB3 LYS A 89 11.864 8.927 19.450 1.00 44.43 H new ATOM 0 HG2 LYS A 89 10.737 10.390 21.346 1.00 34.13 H new ATOM 0 HG3 LYS A 89 12.179 9.981 22.253 1.00 34.13 H new ATOM 0 HD2 LYS A 89 13.566 10.817 20.309 1.00 42.15 H new ATOM 0 HD3 LYS A 89 12.085 11.344 19.534 1.00 42.15 H new ATOM 0 HE2 LYS A 89 13.087 13.233 20.698 1.00 54.11 H new ATOM 0 HE3 LYS A 89 11.583 12.806 21.490 1.00 54.11 H new ATOM 0 HZ1 LYS A 89 13.574 13.235 22.963 1.00 40.34 H new ATOM 0 HZ2 LYS A 89 12.716 11.801 23.264 1.00 40.34 H new ATOM 0 HZ3 LYS A 89 14.193 11.747 22.427 1.00 40.34 H new ATOM 1439 N VAL A 90 9.542 6.998 22.838 1.00 52.43 N ATOM 1440 CA VAL A 90 9.376 6.703 24.256 1.00 45.21 C ATOM 1441 C VAL A 90 10.242 5.520 24.675 1.00 15.04 C ATOM 1442 O VAL A 90 10.277 5.147 25.848 1.00 12.13 O ATOM 1443 CB VAL A 90 7.906 6.397 24.598 1.00 62.24 C ATOM 1444 CG1 VAL A 90 7.460 5.106 23.929 1.00 62.35 C ATOM 1445 CG2 VAL A 90 7.715 6.320 26.105 1.00 71.42 C ATOM 0 H VAL A 90 8.744 6.741 22.258 1.00 52.43 H new ATOM 0 HA VAL A 90 9.690 7.592 24.804 1.00 45.21 H new ATOM 0 HB VAL A 90 7.286 7.208 24.217 1.00 62.24 H new ATOM 0 HG11 VAL A 90 6.419 4.906 24.182 1.00 62.35 H new ATOM 0 HG12 VAL A 90 7.558 5.204 22.848 1.00 62.35 H new ATOM 0 HG13 VAL A 90 8.083 4.282 24.277 1.00 62.35 H new ATOM 0 HG21 VAL A 90 6.670 6.103 26.329 1.00 71.42 H new ATOM 0 HG22 VAL A 90 8.345 5.529 26.512 1.00 71.42 H new ATOM 0 HG23 VAL A 90 7.992 7.273 26.556 1.00 71.42 H new ATOM 1455 N LYS A 91 10.939 4.933 23.709 1.00 24.44 N ATOM 1456 CA LYS A 91 11.807 3.792 23.977 1.00 22.20 C ATOM 1457 C LYS A 91 13.183 4.253 24.447 1.00 42.23 C ATOM 1458 O LYS A 91 14.088 3.441 24.641 1.00 1.53 O ATOM 1459 CB LYS A 91 11.948 2.927 22.722 1.00 24.25 C ATOM 1460 CG LYS A 91 11.921 3.722 21.429 1.00 41.41 C ATOM 1461 CD LYS A 91 12.975 4.817 21.425 1.00 61.21 C ATOM 1462 CE LYS A 91 14.381 4.237 21.461 1.00 72.05 C ATOM 1463 NZ LYS A 91 14.593 3.231 20.383 1.00 22.24 N ATOM 0 H LYS A 91 10.920 5.228 22.733 1.00 24.44 H new ATOM 0 HA LYS A 91 11.352 3.199 24.770 1.00 22.20 H new ATOM 0 HB2 LYS A 91 12.884 2.371 22.777 1.00 24.25 H new ATOM 0 HB3 LYS A 91 11.142 2.193 22.704 1.00 24.25 H new ATOM 0 HG2 LYS A 91 12.088 3.052 20.585 1.00 41.41 H new ATOM 0 HG3 LYS A 91 10.934 4.165 21.294 1.00 41.41 H new ATOM 0 HD2 LYS A 91 12.857 5.434 20.534 1.00 61.21 H new ATOM 0 HD3 LYS A 91 12.827 5.469 22.286 1.00 61.21 H new ATOM 0 HE2 LYS A 91 15.109 5.042 21.355 1.00 72.05 H new ATOM 0 HE3 LYS A 91 14.558 3.773 22.431 1.00 72.05 H new ATOM 0 HZ1 LYS A 91 15.611 3.048 20.275 1.00 22.24 H new ATOM 0 HZ2 LYS A 91 14.106 2.346 20.633 1.00 22.24 H new ATOM 0 HZ3 LYS A 91 14.210 3.596 19.488 1.00 22.24 H new ATOM 1477 N PHE A 92 13.334 5.561 24.628 1.00 15.13 N ATOM 1478 CA PHE A 92 14.599 6.130 25.076 1.00 43.21 C ATOM 1479 C PHE A 92 14.727 6.045 26.594 1.00 2.30 C ATOM 1480 O PHE A 92 15.804 5.769 27.123 1.00 70.35 O ATOM 1481 CB PHE A 92 14.716 7.587 24.624 1.00 50.33 C ATOM 1482 CG PHE A 92 15.737 7.800 23.543 1.00 62.40 C ATOM 1483 CD1 PHE A 92 17.049 7.390 23.721 1.00 11.31 C ATOM 1484 CD2 PHE A 92 15.385 8.408 22.349 1.00 64.11 C ATOM 1485 CE1 PHE A 92 17.991 7.585 22.728 1.00 13.35 C ATOM 1486 CE2 PHE A 92 16.323 8.605 21.352 1.00 12.24 C ATOM 1487 CZ PHE A 92 17.627 8.192 21.542 1.00 10.33 C ATOM 0 H PHE A 92 12.595 6.247 24.471 1.00 15.13 H new ATOM 0 HA PHE A 92 15.407 5.552 24.628 1.00 43.21 H new ATOM 0 HB2 PHE A 92 13.744 7.927 24.267 1.00 50.33 H new ATOM 0 HB3 PHE A 92 14.974 8.206 25.483 1.00 50.33 H new ATOM 0 HD1 PHE A 92 17.339 6.913 24.646 1.00 11.31 H new ATOM 0 HD2 PHE A 92 14.366 8.732 22.195 1.00 64.11 H new ATOM 0 HE1 PHE A 92 19.011 7.263 22.880 1.00 13.35 H new ATOM 0 HE2 PHE A 92 16.036 9.081 20.426 1.00 12.24 H new ATOM 0 HZ PHE A 92 18.361 8.343 20.764 1.00 10.33 H new ATOM 1497 N SER A 93 13.620 6.286 27.290 1.00 63.15 N ATOM 1498 CA SER A 93 13.609 6.241 28.747 1.00 15.20 C ATOM 1499 C SER A 93 13.835 4.818 29.249 1.00 50.32 C ATOM 1500 O SER A 93 14.546 4.601 30.228 1.00 3.02 O ATOM 1501 CB SER A 93 12.280 6.778 29.284 1.00 4.20 C ATOM 1502 OG SER A 93 12.167 8.173 29.062 1.00 41.10 O ATOM 0 H SER A 93 12.720 6.514 26.868 1.00 63.15 H new ATOM 0 HA SER A 93 14.422 6.869 29.112 1.00 15.20 H new ATOM 0 HB2 SER A 93 11.452 6.261 28.798 1.00 4.20 H new ATOM 0 HB3 SER A 93 12.204 6.569 30.351 1.00 4.20 H new ATOM 0 HG SER A 93 11.309 8.492 29.412 1.00 41.10 H new TER 1508 SER A 93