USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.21 X(o=1,f=1) USER MOD Set 1.2: A 80 TYR OH : rot -131:sc= 1.22 USER MOD Set 2.1: A 74 CYS SG : rot -140:sc= -0.559 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 162:sc= 0.00456 (180deg=0) USER MOD Set 3.1: A 4 ASN : amide:sc= 0.666 K(o=0.63,f=-0.64) USER MOD Set 3.2: A 32 HIS : no HD1:sc= -0.0364 X(o=0.63,f=0.59) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.098) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00848 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= -0.0442 (180deg=-0.0674) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.931 (180deg=0.845) USER MOD Single : A 47 ASN : amide:sc= -0.0521 K(o=-0.052,f=-4.3!) USER MOD Single : A 56 GLN : amide:sc= -0.631 K(o=-0.63,f=-0.045) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.11) USER MOD Single : A 61 SER OG : rot 75:sc= 0.137 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.027) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -119:sc= 0.0623 (180deg=0) USER MOD Single : A 70 SER OG : rot 156:sc= 1.2 USER MOD Single : A 77 MET CE :methyl -179:sc= -0.163 (180deg=-0.166) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.324 K(o=0.32,f=-0.29) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.755 -2.132 -7.883 1.00 52.24 N ATOM 2 CA GLY A 1 14.175 -1.632 -6.631 1.00 30.21 C ATOM 3 C GLY A 1 15.268 -1.167 -5.685 1.00 62.15 C ATOM 4 O GLY A 1 16.450 -1.350 -5.979 1.00 5.24 O ATOM 0 H1 GLY A 1 14.438 -1.536 -8.675 1.00 52.24 H new ATOM 0 H2 GLY A 1 15.793 -2.103 -7.821 1.00 52.24 H new ATOM 0 H3 GLY A 1 14.445 -3.112 -8.042 1.00 52.24 H new ATOM 0 HA2 GLY A 1 13.495 -0.807 -6.843 1.00 30.21 H new ATOM 0 HA3 GLY A 1 13.586 -2.417 -6.157 1.00 30.21 H new ATOM 8 N SER A 2 14.889 -0.540 -4.572 1.00 11.41 N ATOM 9 CA SER A 2 15.815 0.082 -3.630 1.00 11.11 C ATOM 10 C SER A 2 15.565 -0.425 -2.210 1.00 74.53 C ATOM 11 O SER A 2 14.938 -1.470 -2.028 1.00 53.45 O ATOM 12 CB SER A 2 15.745 1.596 -3.780 1.00 63.45 C ATOM 13 OG SER A 2 16.078 2.004 -5.098 1.00 22.42 O ATOM 0 H SER A 2 13.911 -0.449 -4.296 1.00 11.41 H new ATOM 0 HA SER A 2 16.842 -0.206 -3.856 1.00 11.11 H new ATOM 0 HB2 SER A 2 14.741 1.941 -3.534 1.00 63.45 H new ATOM 0 HB3 SER A 2 16.426 2.065 -3.070 1.00 63.45 H new ATOM 0 HG SER A 2 16.022 2.980 -5.162 1.00 22.42 H new ATOM 19 N GLU A 3 16.113 0.252 -1.197 1.00 54.05 N ATOM 20 CA GLU A 3 16.189 -0.267 0.162 1.00 25.12 C ATOM 21 C GLU A 3 14.840 -0.689 0.740 1.00 52.23 C ATOM 22 O GLU A 3 14.804 -1.614 1.552 1.00 61.55 O ATOM 23 CB GLU A 3 16.905 0.719 1.104 1.00 30.11 C ATOM 24 CG GLU A 3 16.435 2.184 1.083 1.00 54.03 C ATOM 25 CD GLU A 3 17.345 3.030 0.193 1.00 70.25 C ATOM 26 OE1 GLU A 3 17.268 2.884 -1.042 1.00 73.55 O ATOM 27 OE2 GLU A 3 18.197 3.789 0.722 1.00 13.03 O ATOM 0 H GLU A 3 16.518 1.182 -1.303 1.00 54.05 H new ATOM 0 HA GLU A 3 16.784 -1.177 0.090 1.00 25.12 H new ATOM 0 HB2 GLU A 3 16.802 0.347 2.123 1.00 30.11 H new ATOM 0 HB3 GLU A 3 17.968 0.703 0.864 1.00 30.11 H new ATOM 0 HG2 GLU A 3 15.409 2.237 0.718 1.00 54.03 H new ATOM 0 HG3 GLU A 3 16.434 2.585 2.096 1.00 54.03 H new ATOM 34 N ASN A 4 13.751 -0.056 0.299 1.00 54.14 N ATOM 35 CA ASN A 4 12.406 -0.314 0.808 1.00 12.44 C ATOM 36 C ASN A 4 11.981 -1.742 0.489 1.00 32.53 C ATOM 37 O ASN A 4 11.261 -2.355 1.274 1.00 71.43 O ATOM 38 CB ASN A 4 11.352 0.637 0.209 1.00 5.22 C ATOM 39 CG ASN A 4 11.872 2.029 -0.104 1.00 51.11 C ATOM 40 OD1 ASN A 4 11.867 2.914 0.740 1.00 51.31 O ATOM 41 ND2 ASN A 4 12.357 2.234 -1.317 1.00 5.22 N ATOM 0 H ASN A 4 13.780 0.657 -0.429 1.00 54.14 H new ATOM 0 HA ASN A 4 12.454 -0.151 1.885 1.00 12.44 H new ATOM 0 HB2 ASN A 4 10.959 0.194 -0.706 1.00 5.22 H new ATOM 0 HB3 ASN A 4 10.518 0.722 0.906 1.00 5.22 H new ATOM 0 HD21 ASN A 4 12.738 3.147 -1.566 1.00 5.22 H new ATOM 0 HD22 ASN A 4 12.350 1.479 -2.003 1.00 5.22 H new ATOM 48 N PHE A 5 12.404 -2.269 -0.664 1.00 61.45 N ATOM 49 CA PHE A 5 12.087 -3.615 -1.121 1.00 74.32 C ATOM 50 C PHE A 5 12.486 -4.640 -0.067 1.00 12.23 C ATOM 51 O PHE A 5 11.689 -5.512 0.279 1.00 21.20 O ATOM 52 CB PHE A 5 12.817 -3.880 -2.445 1.00 73.35 C ATOM 53 CG PHE A 5 12.518 -5.211 -3.109 1.00 41.32 C ATOM 54 CD1 PHE A 5 11.203 -5.543 -3.477 1.00 70.41 C ATOM 55 CD2 PHE A 5 13.568 -6.095 -3.416 1.00 53.33 C ATOM 56 CE1 PHE A 5 10.945 -6.748 -4.155 1.00 21.13 C ATOM 57 CE2 PHE A 5 13.319 -7.265 -4.152 1.00 33.31 C ATOM 58 CZ PHE A 5 12.005 -7.592 -4.526 1.00 63.54 C ATOM 0 H PHE A 5 12.992 -1.753 -1.319 1.00 61.45 H new ATOM 0 HA PHE A 5 11.013 -3.704 -1.282 1.00 74.32 H new ATOM 0 HB2 PHE A 5 12.564 -3.082 -3.143 1.00 73.35 H new ATOM 0 HB3 PHE A 5 13.890 -3.818 -2.265 1.00 73.35 H new ATOM 0 HD1 PHE A 5 10.390 -4.873 -3.239 1.00 70.41 H new ATOM 0 HD2 PHE A 5 14.571 -5.873 -3.084 1.00 53.33 H new ATOM 0 HE1 PHE A 5 9.928 -7.025 -4.391 1.00 21.13 H new ATOM 0 HE2 PHE A 5 14.137 -7.913 -4.430 1.00 33.31 H new ATOM 0 HZ PHE A 5 11.811 -8.488 -5.096 1.00 63.54 H new ATOM 68 N GLN A 6 13.707 -4.509 0.455 1.00 30.44 N ATOM 69 CA GLN A 6 14.235 -5.406 1.465 1.00 50.03 C ATOM 70 C GLN A 6 13.391 -5.333 2.734 1.00 14.04 C ATOM 71 O GLN A 6 13.002 -6.380 3.252 1.00 64.42 O ATOM 72 CB GLN A 6 15.698 -5.052 1.759 1.00 71.53 C ATOM 73 CG GLN A 6 16.358 -6.020 2.749 1.00 62.21 C ATOM 74 CD GLN A 6 16.491 -7.411 2.147 1.00 54.23 C ATOM 75 OE1 GLN A 6 17.474 -7.700 1.467 1.00 25.50 O ATOM 76 NE2 GLN A 6 15.495 -8.265 2.342 1.00 51.33 N ATOM 0 H GLN A 6 14.355 -3.770 0.182 1.00 30.44 H new ATOM 0 HA GLN A 6 14.193 -6.429 1.092 1.00 50.03 H new ATOM 0 HB2 GLN A 6 16.262 -5.054 0.826 1.00 71.53 H new ATOM 0 HB3 GLN A 6 15.748 -4.040 2.160 1.00 71.53 H new ATOM 0 HG2 GLN A 6 17.343 -5.645 3.028 1.00 62.21 H new ATOM 0 HG3 GLN A 6 15.766 -6.071 3.663 1.00 62.21 H new ATOM 0 HE21 GLN A 6 14.694 -7.993 2.912 1.00 51.33 H new ATOM 0 HE22 GLN A 6 15.530 -9.194 1.922 1.00 51.33 H new ATOM 85 N THR A 7 13.121 -4.120 3.222 1.00 34.21 N ATOM 86 CA THR A 7 12.332 -3.872 4.418 1.00 70.45 C ATOM 87 C THR A 7 10.965 -4.551 4.285 1.00 3.23 C ATOM 88 O THR A 7 10.542 -5.291 5.172 1.00 45.35 O ATOM 89 CB THR A 7 12.202 -2.349 4.614 1.00 53.04 C ATOM 90 OG1 THR A 7 13.462 -1.719 4.476 1.00 64.12 O ATOM 91 CG2 THR A 7 11.624 -2.003 5.984 1.00 51.33 C ATOM 0 H THR A 7 13.457 -3.264 2.780 1.00 34.21 H new ATOM 0 HA THR A 7 12.820 -4.293 5.297 1.00 70.45 H new ATOM 0 HB THR A 7 11.520 -1.987 3.844 1.00 53.04 H new ATOM 0 HG1 THR A 7 13.360 -0.752 4.602 1.00 64.12 H new ATOM 0 HG21 THR A 7 11.548 -0.920 6.084 1.00 51.33 H new ATOM 0 HG22 THR A 7 10.634 -2.447 6.084 1.00 51.33 H new ATOM 0 HG23 THR A 7 12.277 -2.394 6.764 1.00 51.33 H new ATOM 99 N LEU A 8 10.276 -4.339 3.161 1.00 44.34 N ATOM 100 CA LEU A 8 8.940 -4.874 2.936 1.00 44.02 C ATOM 101 C LEU A 8 8.960 -6.394 2.859 1.00 3.40 C ATOM 102 O LEU A 8 8.041 -7.045 3.353 1.00 52.34 O ATOM 103 CB LEU A 8 8.374 -4.335 1.625 1.00 72.15 C ATOM 104 CG LEU A 8 8.050 -2.830 1.668 1.00 31.44 C ATOM 105 CD1 LEU A 8 8.084 -2.257 0.248 1.00 53.23 C ATOM 106 CD2 LEU A 8 6.683 -2.636 2.332 1.00 13.21 C ATOM 0 H LEU A 8 10.635 -3.788 2.381 1.00 44.34 H new ATOM 0 HA LEU A 8 8.318 -4.565 3.776 1.00 44.02 H new ATOM 0 HB2 LEU A 8 9.091 -4.521 0.825 1.00 72.15 H new ATOM 0 HB3 LEU A 8 7.468 -4.887 1.376 1.00 72.15 H new ATOM 0 HG LEU A 8 8.794 -2.293 2.256 1.00 31.44 H new ATOM 0 HD11 LEU A 8 7.855 -1.192 0.280 1.00 53.23 H new ATOM 0 HD12 LEU A 8 9.076 -2.402 -0.179 1.00 53.23 H new ATOM 0 HD13 LEU A 8 7.345 -2.769 -0.369 1.00 53.23 H new ATOM 0 HD21 LEU A 8 6.443 -1.573 2.368 1.00 13.21 H new ATOM 0 HD22 LEU A 8 5.921 -3.161 1.756 1.00 13.21 H new ATOM 0 HD23 LEU A 8 6.711 -3.036 3.346 1.00 13.21 H new ATOM 118 N LEU A 9 9.980 -6.973 2.225 1.00 23.41 N ATOM 119 CA LEU A 9 10.151 -8.419 2.165 1.00 71.24 C ATOM 120 C LEU A 9 10.390 -9.014 3.554 1.00 71.13 C ATOM 121 O LEU A 9 10.251 -10.229 3.711 1.00 32.52 O ATOM 122 CB LEU A 9 11.319 -8.775 1.236 1.00 24.23 C ATOM 123 CG LEU A 9 11.000 -8.700 -0.265 1.00 72.43 C ATOM 124 CD1 LEU A 9 12.300 -8.884 -1.050 1.00 43.35 C ATOM 125 CD2 LEU A 9 10.012 -9.787 -0.713 1.00 33.32 C ATOM 0 H LEU A 9 10.709 -6.450 1.740 1.00 23.41 H new ATOM 0 HA LEU A 9 9.230 -8.847 1.769 1.00 71.24 H new ATOM 0 HB2 LEU A 9 12.151 -8.104 1.449 1.00 24.23 H new ATOM 0 HB3 LEU A 9 11.656 -9.785 1.471 1.00 24.23 H new ATOM 0 HG LEU A 9 10.542 -7.730 -0.455 1.00 72.43 H new ATOM 0 HD11 LEU A 9 12.090 -8.833 -2.118 1.00 43.35 H new ATOM 0 HD12 LEU A 9 13.003 -8.095 -0.780 1.00 43.35 H new ATOM 0 HD13 LEU A 9 12.735 -9.855 -0.811 1.00 43.35 H new ATOM 0 HD21 LEU A 9 9.822 -9.688 -1.782 1.00 33.32 H new ATOM 0 HD22 LEU A 9 10.436 -10.770 -0.510 1.00 33.32 H new ATOM 0 HD23 LEU A 9 9.076 -9.676 -0.166 1.00 33.32 H new ATOM 137 N ASP A 10 10.718 -8.196 4.554 1.00 64.53 N ATOM 138 CA ASP A 10 10.895 -8.582 5.958 1.00 42.01 C ATOM 139 C ASP A 10 9.729 -8.129 6.849 1.00 10.23 C ATOM 140 O ASP A 10 9.750 -8.337 8.062 1.00 34.32 O ATOM 141 CB ASP A 10 12.221 -8.013 6.479 1.00 10.13 C ATOM 142 CG ASP A 10 12.960 -9.036 7.336 1.00 50.23 C ATOM 143 OD1 ASP A 10 12.490 -9.400 8.436 1.00 50.41 O ATOM 144 OD2 ASP A 10 14.035 -9.476 6.865 1.00 74.23 O ATOM 0 H ASP A 10 10.875 -7.200 4.403 1.00 64.53 H new ATOM 0 HA ASP A 10 10.913 -9.671 6.002 1.00 42.01 H new ATOM 0 HB2 ASP A 10 12.849 -7.717 5.638 1.00 10.13 H new ATOM 0 HB3 ASP A 10 12.029 -7.114 7.065 1.00 10.13 H new ATOM 149 N ALA A 11 8.697 -7.503 6.275 1.00 45.11 N ATOM 150 CA ALA A 11 7.540 -6.962 6.989 1.00 71.34 C ATOM 151 C ALA A 11 6.351 -7.935 6.972 1.00 34.40 C ATOM 152 O ALA A 11 5.198 -7.512 7.043 1.00 52.02 O ATOM 153 CB ALA A 11 7.173 -5.603 6.381 1.00 42.04 C ATOM 0 H ALA A 11 8.644 -7.355 5.267 1.00 45.11 H new ATOM 0 HA ALA A 11 7.801 -6.825 8.038 1.00 71.34 H new ATOM 0 HB1 ALA A 11 6.311 -5.190 6.906 1.00 42.04 H new ATOM 0 HB2 ALA A 11 8.018 -4.921 6.478 1.00 42.04 H new ATOM 0 HB3 ALA A 11 6.929 -5.730 5.326 1.00 42.04 H new ATOM 159 N GLY A 12 6.601 -9.236 6.807 1.00 62.15 N ATOM 160 CA GLY A 12 5.553 -10.244 6.723 1.00 12.44 C ATOM 161 C GLY A 12 4.792 -10.203 5.402 1.00 41.21 C ATOM 162 O GLY A 12 3.687 -10.739 5.333 1.00 22.22 O ATOM 0 H GLY A 12 7.544 -9.617 6.728 1.00 62.15 H new ATOM 0 HA2 GLY A 12 5.996 -11.232 6.851 1.00 12.44 H new ATOM 0 HA3 GLY A 12 4.852 -10.100 7.545 1.00 12.44 H new ATOM 166 N LEU A 13 5.335 -9.549 4.369 1.00 25.54 N ATOM 167 CA LEU A 13 4.650 -9.319 3.103 1.00 65.24 C ATOM 168 C LEU A 13 5.287 -10.134 1.965 1.00 2.23 C ATOM 169 O LEU A 13 6.481 -10.443 2.030 1.00 71.55 O ATOM 170 CB LEU A 13 4.754 -7.841 2.719 1.00 72.51 C ATOM 171 CG LEU A 13 4.205 -6.783 3.682 1.00 53.13 C ATOM 172 CD1 LEU A 13 4.712 -5.399 3.249 1.00 45.21 C ATOM 173 CD2 LEU A 13 2.676 -6.802 3.655 1.00 51.13 C ATOM 0 H LEU A 13 6.278 -9.161 4.395 1.00 25.54 H new ATOM 0 HA LEU A 13 3.612 -9.622 3.236 1.00 65.24 H new ATOM 0 HB2 LEU A 13 5.808 -7.618 2.551 1.00 72.51 H new ATOM 0 HB3 LEU A 13 4.245 -7.713 1.764 1.00 72.51 H new ATOM 0 HG LEU A 13 4.545 -6.999 4.695 1.00 53.13 H new ATOM 0 HD11 LEU A 13 4.325 -4.641 3.930 1.00 45.21 H new ATOM 0 HD12 LEU A 13 5.802 -5.387 3.273 1.00 45.21 H new ATOM 0 HD13 LEU A 13 4.369 -5.186 2.236 1.00 45.21 H new ATOM 0 HD21 LEU A 13 2.291 -6.048 4.341 1.00 51.13 H new ATOM 0 HD22 LEU A 13 2.327 -6.586 2.645 1.00 51.13 H new ATOM 0 HD23 LEU A 13 2.319 -7.786 3.959 1.00 51.13 H new ATOM 185 N PRO A 14 4.537 -10.416 0.885 1.00 32.51 N ATOM 186 CA PRO A 14 5.039 -11.091 -0.314 1.00 63.44 C ATOM 187 C PRO A 14 5.874 -10.184 -1.238 1.00 45.02 C ATOM 188 O PRO A 14 5.948 -8.964 -1.053 1.00 54.34 O ATOM 189 CB PRO A 14 3.783 -11.575 -1.041 1.00 63.35 C ATOM 190 CG PRO A 14 2.726 -10.558 -0.633 1.00 50.33 C ATOM 191 CD PRO A 14 3.098 -10.206 0.794 1.00 23.11 C ATOM 0 HA PRO A 14 5.720 -11.894 -0.033 1.00 63.44 H new ATOM 0 HB2 PRO A 14 3.926 -11.594 -2.121 1.00 63.35 H new ATOM 0 HB3 PRO A 14 3.507 -12.585 -0.738 1.00 63.35 H new ATOM 0 HG2 PRO A 14 2.744 -9.681 -1.280 1.00 50.33 H new ATOM 0 HG3 PRO A 14 1.722 -10.978 -0.693 1.00 50.33 H new ATOM 0 HD2 PRO A 14 2.837 -9.173 1.024 1.00 23.11 H new ATOM 0 HD3 PRO A 14 2.564 -10.836 1.505 1.00 23.11 H new ATOM 199 N GLN A 15 6.461 -10.789 -2.284 1.00 10.22 N ATOM 200 CA GLN A 15 7.325 -10.159 -3.273 1.00 44.12 C ATOM 201 C GLN A 15 6.517 -9.357 -4.268 1.00 11.10 C ATOM 202 O GLN A 15 6.901 -8.230 -4.563 1.00 34.54 O ATOM 203 CB GLN A 15 8.150 -11.233 -3.997 1.00 25.24 C ATOM 204 CG GLN A 15 9.108 -10.616 -5.033 1.00 41.23 C ATOM 205 CD GLN A 15 10.435 -11.360 -5.112 1.00 31.44 C ATOM 206 OE1 GLN A 15 10.676 -12.171 -5.998 1.00 73.55 O ATOM 207 NE2 GLN A 15 11.334 -11.097 -4.183 1.00 5.30 N ATOM 0 H GLN A 15 6.333 -11.785 -2.464 1.00 10.22 H new ATOM 0 HA GLN A 15 7.998 -9.473 -2.759 1.00 44.12 H new ATOM 0 HB2 GLN A 15 8.723 -11.805 -3.267 1.00 25.24 H new ATOM 0 HB3 GLN A 15 7.479 -11.933 -4.494 1.00 25.24 H new ATOM 0 HG2 GLN A 15 8.632 -10.623 -6.013 1.00 41.23 H new ATOM 0 HG3 GLN A 15 9.294 -9.573 -4.776 1.00 41.23 H new ATOM 0 HE21 GLN A 15 11.126 -10.420 -3.449 1.00 5.30 H new ATOM 0 HE22 GLN A 15 12.237 -11.570 -4.199 1.00 5.30 H new ATOM 216 N LYS A 16 5.421 -9.903 -4.800 1.00 34.51 N ATOM 217 CA LYS A 16 4.665 -9.207 -5.817 1.00 53.21 C ATOM 218 C LYS A 16 4.198 -7.835 -5.323 1.00 65.25 C ATOM 219 O LYS A 16 4.292 -6.861 -6.067 1.00 33.00 O ATOM 220 CB LYS A 16 3.507 -10.107 -6.268 1.00 30.13 C ATOM 221 CG LYS A 16 3.528 -10.411 -7.747 1.00 30.02 C ATOM 222 CD LYS A 16 2.827 -9.336 -8.570 1.00 22.12 C ATOM 223 CE LYS A 16 2.986 -9.838 -9.992 1.00 64.33 C ATOM 224 NZ LYS A 16 4.226 -9.367 -10.635 1.00 20.42 N ATOM 0 H LYS A 16 5.048 -10.816 -4.540 1.00 34.51 H new ATOM 0 HA LYS A 16 5.298 -9.004 -6.681 1.00 53.21 H new ATOM 0 HB2 LYS A 16 3.545 -11.043 -5.711 1.00 30.13 H new ATOM 0 HB3 LYS A 16 2.562 -9.625 -6.017 1.00 30.13 H new ATOM 0 HG2 LYS A 16 4.561 -10.505 -8.081 1.00 30.02 H new ATOM 0 HG3 LYS A 16 3.047 -11.373 -7.925 1.00 30.02 H new ATOM 0 HD2 LYS A 16 1.778 -9.235 -8.292 1.00 22.12 H new ATOM 0 HD3 LYS A 16 3.288 -8.358 -8.433 1.00 22.12 H new ATOM 0 HE2 LYS A 16 2.976 -10.928 -9.990 1.00 64.33 H new ATOM 0 HE3 LYS A 16 2.130 -9.513 -10.584 1.00 64.33 H new ATOM 0 HZ1 LYS A 16 4.279 -9.742 -11.604 1.00 20.42 H new ATOM 0 HZ2 LYS A 16 4.228 -8.327 -10.666 1.00 20.42 H new ATOM 0 HZ3 LYS A 16 5.047 -9.699 -10.090 1.00 20.42 H new ATOM 238 N VAL A 17 3.731 -7.770 -4.072 1.00 22.54 N ATOM 239 CA VAL A 17 3.469 -6.537 -3.340 1.00 24.21 C ATOM 240 C VAL A 17 4.774 -5.740 -3.268 1.00 4.41 C ATOM 241 O VAL A 17 4.824 -4.651 -3.836 1.00 72.11 O ATOM 242 CB VAL A 17 2.866 -6.853 -1.950 1.00 23.20 C ATOM 243 CG1 VAL A 17 2.660 -5.620 -1.059 1.00 61.15 C ATOM 244 CG2 VAL A 17 1.491 -7.523 -2.084 1.00 50.41 C ATOM 0 H VAL A 17 3.519 -8.606 -3.527 1.00 22.54 H new ATOM 0 HA VAL A 17 2.726 -5.925 -3.852 1.00 24.21 H new ATOM 0 HB VAL A 17 3.602 -7.509 -1.485 1.00 23.20 H new ATOM 0 HG11 VAL A 17 2.234 -5.928 -0.104 1.00 61.15 H new ATOM 0 HG12 VAL A 17 3.619 -5.131 -0.888 1.00 61.15 H new ATOM 0 HG13 VAL A 17 1.980 -4.925 -1.552 1.00 61.15 H new ATOM 0 HG21 VAL A 17 1.091 -7.734 -1.092 1.00 50.41 H new ATOM 0 HG22 VAL A 17 0.812 -6.856 -2.615 1.00 50.41 H new ATOM 0 HG23 VAL A 17 1.593 -8.455 -2.640 1.00 50.41 H new ATOM 254 N ALA A 18 5.815 -6.271 -2.607 1.00 21.30 N ATOM 255 CA ALA A 18 7.067 -5.570 -2.299 1.00 25.31 C ATOM 256 C ALA A 18 7.623 -4.838 -3.510 1.00 71.15 C ATOM 257 O ALA A 18 7.985 -3.674 -3.406 1.00 23.50 O ATOM 258 CB ALA A 18 8.143 -6.531 -1.763 1.00 71.53 C ATOM 0 H ALA A 18 5.806 -7.231 -2.262 1.00 21.30 H new ATOM 0 HA ALA A 18 6.819 -4.842 -1.527 1.00 25.31 H new ATOM 0 HB1 ALA A 18 9.054 -5.973 -1.547 1.00 71.53 H new ATOM 0 HB2 ALA A 18 7.784 -7.007 -0.850 1.00 71.53 H new ATOM 0 HB3 ALA A 18 8.354 -7.295 -2.511 1.00 71.53 H new ATOM 264 N GLU A 19 7.672 -5.521 -4.650 1.00 54.21 N ATOM 265 CA GLU A 19 8.164 -5.016 -5.916 1.00 50.55 C ATOM 266 C GLU A 19 7.468 -3.703 -6.286 1.00 71.03 C ATOM 267 O GLU A 19 8.128 -2.687 -6.521 1.00 22.42 O ATOM 268 CB GLU A 19 7.896 -6.075 -6.995 1.00 22.31 C ATOM 269 CG GLU A 19 8.993 -7.141 -7.165 1.00 44.25 C ATOM 270 CD GLU A 19 9.253 -7.294 -8.663 1.00 70.22 C ATOM 271 OE1 GLU A 19 8.390 -7.884 -9.358 1.00 2.14 O ATOM 272 OE2 GLU A 19 10.204 -6.671 -9.190 1.00 2.21 O ATOM 0 H GLU A 19 7.353 -6.488 -4.713 1.00 54.21 H new ATOM 0 HA GLU A 19 9.233 -4.816 -5.838 1.00 50.55 H new ATOM 0 HB2 GLU A 19 6.958 -6.578 -6.760 1.00 22.31 H new ATOM 0 HB3 GLU A 19 7.755 -5.568 -7.950 1.00 22.31 H new ATOM 0 HG2 GLU A 19 9.903 -6.841 -6.646 1.00 44.25 H new ATOM 0 HG3 GLU A 19 8.677 -8.090 -6.731 1.00 44.25 H new ATOM 279 N LYS A 20 6.132 -3.726 -6.364 1.00 14.14 N ATOM 280 CA LYS A 20 5.353 -2.544 -6.719 1.00 2.23 C ATOM 281 C LYS A 20 5.460 -1.503 -5.616 1.00 5.13 C ATOM 282 O LYS A 20 5.482 -0.314 -5.912 1.00 4.41 O ATOM 283 CB LYS A 20 3.873 -2.911 -6.946 1.00 43.54 C ATOM 284 CG LYS A 20 3.530 -3.210 -8.412 1.00 50.43 C ATOM 285 CD LYS A 20 4.135 -4.518 -8.943 1.00 32.43 C ATOM 286 CE LYS A 20 3.729 -4.797 -10.397 1.00 34.14 C ATOM 287 NZ LYS A 20 2.273 -4.961 -10.596 1.00 34.33 N ATOM 0 H LYS A 20 5.570 -4.558 -6.184 1.00 14.14 H new ATOM 0 HA LYS A 20 5.755 -2.134 -7.646 1.00 2.23 H new ATOM 0 HB2 LYS A 20 3.627 -3.782 -6.339 1.00 43.54 H new ATOM 0 HB3 LYS A 20 3.246 -2.091 -6.595 1.00 43.54 H new ATOM 0 HG2 LYS A 20 2.446 -3.254 -8.519 1.00 50.43 H new ATOM 0 HG3 LYS A 20 3.878 -2.383 -9.031 1.00 50.43 H new ATOM 0 HD2 LYS A 20 5.222 -4.468 -8.874 1.00 32.43 H new ATOM 0 HD3 LYS A 20 3.814 -5.347 -8.312 1.00 32.43 H new ATOM 0 HE2 LYS A 20 4.081 -3.978 -11.025 1.00 34.14 H new ATOM 0 HE3 LYS A 20 4.235 -5.700 -10.738 1.00 34.14 H new ATOM 0 HZ1 LYS A 20 2.083 -5.196 -11.591 1.00 34.33 H new ATOM 0 HZ2 LYS A 20 1.923 -5.727 -9.986 1.00 34.33 H new ATOM 0 HZ3 LYS A 20 1.787 -4.075 -10.351 1.00 34.33 H new ATOM 301 N LEU A 21 5.459 -1.935 -4.358 1.00 2.30 N ATOM 302 CA LEU A 21 5.319 -1.092 -3.183 1.00 50.15 C ATOM 303 C LEU A 21 6.584 -0.274 -2.944 1.00 50.21 C ATOM 304 O LEU A 21 6.487 0.920 -2.694 1.00 30.24 O ATOM 305 CB LEU A 21 4.958 -2.001 -2.002 1.00 22.22 C ATOM 306 CG LEU A 21 4.591 -1.310 -0.683 1.00 53.35 C ATOM 307 CD1 LEU A 21 3.682 -0.099 -0.879 1.00 4.12 C ATOM 308 CD2 LEU A 21 3.867 -2.315 0.223 1.00 70.54 C ATOM 0 H LEU A 21 5.560 -2.923 -4.124 1.00 2.30 H new ATOM 0 HA LEU A 21 4.524 -0.359 -3.319 1.00 50.15 H new ATOM 0 HB2 LEU A 21 4.119 -2.629 -2.301 1.00 22.22 H new ATOM 0 HB3 LEU A 21 5.802 -2.665 -1.814 1.00 22.22 H new ATOM 0 HG LEU A 21 5.521 -0.959 -0.236 1.00 53.35 H new ATOM 0 HD11 LEU A 21 3.457 0.348 0.090 1.00 4.12 H new ATOM 0 HD12 LEU A 21 4.184 0.635 -1.509 1.00 4.12 H new ATOM 0 HD13 LEU A 21 2.755 -0.414 -1.358 1.00 4.12 H new ATOM 0 HD21 LEU A 21 3.602 -1.832 1.164 1.00 70.54 H new ATOM 0 HD22 LEU A 21 2.962 -2.665 -0.273 1.00 70.54 H new ATOM 0 HD23 LEU A 21 4.522 -3.163 0.422 1.00 70.54 H new ATOM 320 N ASP A 22 7.758 -0.885 -3.089 1.00 73.55 N ATOM 321 CA ASP A 22 9.072 -0.244 -3.048 1.00 43.34 C ATOM 322 C ASP A 22 9.101 0.973 -3.969 1.00 23.30 C ATOM 323 O ASP A 22 9.408 2.089 -3.556 1.00 33.13 O ATOM 324 CB ASP A 22 10.123 -1.280 -3.464 1.00 25.53 C ATOM 325 CG ASP A 22 11.478 -0.680 -3.853 1.00 12.03 C ATOM 326 OD1 ASP A 22 12.086 0.042 -3.033 1.00 14.04 O ATOM 327 OD2 ASP A 22 11.932 -0.997 -4.977 1.00 11.03 O ATOM 0 H ASP A 22 7.823 -1.891 -3.246 1.00 73.55 H new ATOM 0 HA ASP A 22 9.289 0.110 -2.040 1.00 43.34 H new ATOM 0 HB2 ASP A 22 10.271 -1.981 -2.642 1.00 25.53 H new ATOM 0 HB3 ASP A 22 9.737 -1.854 -4.307 1.00 25.53 H new ATOM 332 N GLU A 23 8.670 0.765 -5.208 1.00 71.42 N ATOM 333 CA GLU A 23 8.622 1.754 -6.272 1.00 65.23 C ATOM 334 C GLU A 23 7.701 2.937 -5.968 1.00 25.23 C ATOM 335 O GLU A 23 7.779 3.959 -6.650 1.00 54.32 O ATOM 336 CB GLU A 23 8.152 1.029 -7.542 1.00 25.41 C ATOM 337 CG GLU A 23 9.346 0.468 -8.320 1.00 73.25 C ATOM 338 CD GLU A 23 9.942 1.585 -9.165 1.00 62.13 C ATOM 339 OE1 GLU A 23 9.326 1.912 -10.204 1.00 53.53 O ATOM 340 OE2 GLU A 23 10.937 2.223 -8.753 1.00 34.21 O ATOM 0 H GLU A 23 8.327 -0.147 -5.510 1.00 71.42 H new ATOM 0 HA GLU A 23 9.616 2.185 -6.390 1.00 65.23 H new ATOM 0 HB2 GLU A 23 7.474 0.219 -7.274 1.00 25.41 H new ATOM 0 HB3 GLU A 23 7.592 1.718 -8.174 1.00 25.41 H new ATOM 0 HG2 GLU A 23 10.094 0.073 -7.632 1.00 73.25 H new ATOM 0 HG3 GLU A 23 9.029 -0.359 -8.955 1.00 73.25 H new ATOM 347 N ILE A 24 6.804 2.833 -4.987 1.00 64.50 N ATOM 348 CA ILE A 24 5.971 3.958 -4.579 1.00 33.21 C ATOM 349 C ILE A 24 6.838 4.954 -3.795 1.00 25.52 C ATOM 350 O ILE A 24 6.633 6.163 -3.882 1.00 2.25 O ATOM 351 CB ILE A 24 4.722 3.458 -3.807 1.00 5.24 C ATOM 352 CG1 ILE A 24 4.062 2.299 -4.587 1.00 31.35 C ATOM 353 CG2 ILE A 24 3.696 4.577 -3.618 1.00 24.32 C ATOM 354 CD1 ILE A 24 2.702 1.804 -4.100 1.00 52.23 C ATOM 0 H ILE A 24 6.637 1.976 -4.460 1.00 64.50 H new ATOM 0 HA ILE A 24 5.577 4.488 -5.446 1.00 33.21 H new ATOM 0 HB ILE A 24 5.049 3.118 -2.824 1.00 5.24 H new ATOM 0 HG12 ILE A 24 3.954 2.612 -5.626 1.00 31.35 H new ATOM 0 HG13 ILE A 24 4.750 1.454 -4.579 1.00 31.35 H new ATOM 0 HG21 ILE A 24 2.834 4.192 -3.074 1.00 24.32 H new ATOM 0 HG22 ILE A 24 4.147 5.393 -3.053 1.00 24.32 H new ATOM 0 HG23 ILE A 24 3.375 4.945 -4.593 1.00 24.32 H new ATOM 0 HD11 ILE A 24 2.360 0.991 -4.740 1.00 52.23 H new ATOM 0 HD12 ILE A 24 2.791 1.446 -3.074 1.00 52.23 H new ATOM 0 HD13 ILE A 24 1.982 2.622 -4.137 1.00 52.23 H new ATOM 366 N TYR A 25 7.849 4.458 -3.081 1.00 12.12 N ATOM 367 CA TYR A 25 8.726 5.265 -2.249 1.00 12.15 C ATOM 368 C TYR A 25 9.861 5.842 -3.085 1.00 11.14 C ATOM 369 O TYR A 25 10.092 7.050 -3.042 1.00 74.54 O ATOM 370 CB TYR A 25 9.226 4.411 -1.075 1.00 61.13 C ATOM 371 CG TYR A 25 8.082 3.742 -0.336 1.00 3.23 C ATOM 372 CD1 TYR A 25 7.066 4.544 0.206 1.00 43.23 C ATOM 373 CD2 TYR A 25 7.956 2.342 -0.286 1.00 45.43 C ATOM 374 CE1 TYR A 25 5.925 3.979 0.790 1.00 62.13 C ATOM 375 CE2 TYR A 25 6.833 1.761 0.321 1.00 74.55 C ATOM 376 CZ TYR A 25 5.824 2.572 0.882 1.00 52.24 C ATOM 377 OH TYR A 25 4.785 1.991 1.541 1.00 73.21 O ATOM 0 H TYR A 25 8.081 3.465 -3.068 1.00 12.12 H new ATOM 0 HA TYR A 25 8.184 6.115 -1.835 1.00 12.15 H new ATOM 0 HB2 TYR A 25 9.913 3.650 -1.446 1.00 61.13 H new ATOM 0 HB3 TYR A 25 9.788 5.038 -0.383 1.00 61.13 H new ATOM 0 HD1 TYR A 25 7.166 5.619 0.172 1.00 43.23 H new ATOM 0 HD2 TYR A 25 8.724 1.715 -0.715 1.00 45.43 H new ATOM 0 HE1 TYR A 25 5.133 4.610 1.165 1.00 62.13 H new ATOM 0 HE2 TYR A 25 6.740 0.686 0.359 1.00 74.55 H new ATOM 0 HH TYR A 25 3.995 2.567 1.478 1.00 73.21 H new ATOM 387 N VAL A 26 10.529 5.009 -3.892 1.00 45.21 N ATOM 388 CA VAL A 26 11.703 5.407 -4.677 1.00 5.24 C ATOM 389 C VAL A 26 11.416 6.636 -5.544 1.00 24.51 C ATOM 390 O VAL A 26 12.271 7.509 -5.666 1.00 2.34 O ATOM 391 CB VAL A 26 12.193 4.225 -5.541 1.00 23.11 C ATOM 392 CG1 VAL A 26 13.433 4.581 -6.378 1.00 11.10 C ATOM 393 CG2 VAL A 26 12.561 3.026 -4.667 1.00 73.23 C ATOM 0 H VAL A 26 10.267 4.031 -4.019 1.00 45.21 H new ATOM 0 HA VAL A 26 12.494 5.683 -3.980 1.00 5.24 H new ATOM 0 HB VAL A 26 11.365 3.984 -6.207 1.00 23.11 H new ATOM 0 HG11 VAL A 26 13.736 3.715 -6.966 1.00 11.10 H new ATOM 0 HG12 VAL A 26 13.196 5.409 -7.046 1.00 11.10 H new ATOM 0 HG13 VAL A 26 14.248 4.872 -5.715 1.00 11.10 H new ATOM 0 HG21 VAL A 26 12.903 2.206 -5.299 1.00 73.23 H new ATOM 0 HG22 VAL A 26 13.356 3.309 -3.977 1.00 73.23 H new ATOM 0 HG23 VAL A 26 11.686 2.707 -4.101 1.00 73.23 H new ATOM 403 N ALA A 27 10.223 6.714 -6.139 1.00 50.32 N ATOM 404 CA ALA A 27 9.838 7.773 -7.064 1.00 73.22 C ATOM 405 C ALA A 27 9.638 9.127 -6.371 1.00 64.23 C ATOM 406 O ALA A 27 9.282 10.094 -7.046 1.00 10.44 O ATOM 407 CB ALA A 27 8.570 7.334 -7.802 1.00 61.21 C ATOM 0 H ALA A 27 9.485 6.027 -5.985 1.00 50.32 H new ATOM 0 HA ALA A 27 10.652 7.926 -7.773 1.00 73.22 H new ATOM 0 HB1 ALA A 27 8.266 8.115 -8.499 1.00 61.21 H new ATOM 0 HB2 ALA A 27 8.769 6.414 -8.351 1.00 61.21 H new ATOM 0 HB3 ALA A 27 7.771 7.161 -7.081 1.00 61.21 H new ATOM 413 N GLY A 28 9.835 9.194 -5.051 1.00 63.30 N ATOM 414 CA GLY A 28 9.805 10.409 -4.259 1.00 21.21 C ATOM 415 C GLY A 28 8.410 10.745 -3.746 1.00 10.04 C ATOM 416 O GLY A 28 8.200 11.821 -3.184 1.00 25.41 O ATOM 0 H GLY A 28 10.027 8.364 -4.490 1.00 63.30 H new ATOM 0 HA2 GLY A 28 10.483 10.302 -3.412 1.00 21.21 H new ATOM 0 HA3 GLY A 28 10.176 11.239 -4.861 1.00 21.21 H new ATOM 420 N LEU A 29 7.436 9.854 -3.942 1.00 52.33 N ATOM 421 CA LEU A 29 6.026 10.173 -3.766 1.00 74.13 C ATOM 422 C LEU A 29 5.694 10.231 -2.280 1.00 34.43 C ATOM 423 O LEU A 29 5.294 11.292 -1.796 1.00 5.02 O ATOM 424 CB LEU A 29 5.136 9.190 -4.545 1.00 13.44 C ATOM 425 CG LEU A 29 5.573 9.018 -6.015 1.00 1.13 C ATOM 426 CD1 LEU A 29 4.649 8.042 -6.727 1.00 1.14 C ATOM 427 CD2 LEU A 29 5.575 10.323 -6.809 1.00 24.33 C ATOM 0 H LEU A 29 7.608 8.890 -4.228 1.00 52.33 H new ATOM 0 HA LEU A 29 5.820 11.158 -4.184 1.00 74.13 H new ATOM 0 HB2 LEU A 29 5.156 8.219 -4.050 1.00 13.44 H new ATOM 0 HB3 LEU A 29 4.105 9.541 -4.517 1.00 13.44 H new ATOM 0 HG LEU A 29 6.596 8.645 -5.974 1.00 1.13 H new ATOM 0 HD11 LEU A 29 4.968 7.929 -7.763 1.00 1.14 H new ATOM 0 HD12 LEU A 29 4.688 7.074 -6.228 1.00 1.14 H new ATOM 0 HD13 LEU A 29 3.628 8.423 -6.701 1.00 1.14 H new ATOM 0 HD21 LEU A 29 5.892 10.125 -7.833 1.00 24.33 H new ATOM 0 HD22 LEU A 29 4.571 10.746 -6.816 1.00 24.33 H new ATOM 0 HD23 LEU A 29 6.263 11.030 -6.346 1.00 24.33 H new ATOM 439 N VAL A 30 5.900 9.122 -1.560 1.00 1.24 N ATOM 440 CA VAL A 30 5.649 9.015 -0.109 1.00 14.34 C ATOM 441 C VAL A 30 6.860 8.451 0.651 1.00 70.22 C ATOM 442 O VAL A 30 7.787 7.937 0.020 1.00 64.54 O ATOM 443 CB VAL A 30 4.377 8.178 0.150 1.00 32.42 C ATOM 444 CG1 VAL A 30 3.122 9.020 -0.071 1.00 33.32 C ATOM 445 CG2 VAL A 30 4.263 6.926 -0.734 1.00 1.14 C ATOM 0 H VAL A 30 6.251 8.257 -1.971 1.00 1.24 H new ATOM 0 HA VAL A 30 5.487 10.022 0.277 1.00 14.34 H new ATOM 0 HB VAL A 30 4.461 7.853 1.187 1.00 32.42 H new ATOM 0 HG11 VAL A 30 2.238 8.411 0.117 1.00 33.32 H new ATOM 0 HG12 VAL A 30 3.129 9.870 0.612 1.00 33.32 H new ATOM 0 HG13 VAL A 30 3.102 9.381 -1.099 1.00 33.32 H new ATOM 0 HG21 VAL A 30 3.344 6.392 -0.492 1.00 1.14 H new ATOM 0 HG22 VAL A 30 4.246 7.222 -1.783 1.00 1.14 H new ATOM 0 HG23 VAL A 30 5.119 6.275 -0.555 1.00 1.14 H new ATOM 455 N ALA A 31 6.868 8.543 1.989 1.00 44.12 N ATOM 456 CA ALA A 31 7.870 7.900 2.844 1.00 14.03 C ATOM 457 C ALA A 31 7.519 6.423 3.032 1.00 71.20 C ATOM 458 O ALA A 31 6.345 6.054 2.975 1.00 61.44 O ATOM 459 CB ALA A 31 7.932 8.617 4.204 1.00 2.04 C ATOM 0 H ALA A 31 6.170 9.073 2.511 1.00 44.12 H new ATOM 0 HA ALA A 31 8.849 7.968 2.369 1.00 14.03 H new ATOM 0 HB1 ALA A 31 8.678 8.135 4.836 1.00 2.04 H new ATOM 0 HB2 ALA A 31 8.205 9.661 4.053 1.00 2.04 H new ATOM 0 HB3 ALA A 31 6.957 8.563 4.689 1.00 2.04 H new ATOM 465 N HIS A 32 8.513 5.578 3.327 1.00 34.25 N ATOM 466 CA HIS A 32 8.239 4.170 3.612 1.00 42.24 C ATOM 467 C HIS A 32 7.606 4.013 4.993 1.00 64.34 C ATOM 468 O HIS A 32 6.702 3.201 5.154 1.00 72.31 O ATOM 469 CB HIS A 32 9.483 3.287 3.440 1.00 64.33 C ATOM 470 CG HIS A 32 10.696 3.686 4.236 1.00 45.24 C ATOM 471 ND1 HIS A 32 10.914 3.470 5.581 1.00 2.30 N ATOM 472 CD2 HIS A 32 11.822 4.263 3.717 1.00 61.51 C ATOM 473 CE1 HIS A 32 12.130 3.957 5.872 1.00 1.00 C ATOM 474 NE2 HIS A 32 12.727 4.437 4.767 1.00 11.03 N ATOM 0 H HIS A 32 9.498 5.841 3.374 1.00 34.25 H new ATOM 0 HA HIS A 32 7.518 3.818 2.874 1.00 42.24 H new ATOM 0 HB2 HIS A 32 9.217 2.265 3.709 1.00 64.33 H new ATOM 0 HB3 HIS A 32 9.754 3.278 2.384 1.00 64.33 H new ATOM 0 HD2 HIS A 32 11.982 4.535 2.684 1.00 61.51 H new ATOM 0 HE1 HIS A 32 12.569 3.963 6.859 1.00 1.00 H new ATOM 0 HE2 HIS A 32 13.659 4.848 4.707 1.00 11.03 H new ATOM 482 N SER A 33 8.038 4.789 5.988 1.00 10.02 N ATOM 483 CA SER A 33 7.510 4.705 7.352 1.00 50.04 C ATOM 484 C SER A 33 6.174 5.450 7.510 1.00 61.13 C ATOM 485 O SER A 33 5.701 5.619 8.635 1.00 53.20 O ATOM 486 CB SER A 33 8.569 5.221 8.342 1.00 70.43 C ATOM 487 OG SER A 33 9.063 4.162 9.143 1.00 72.22 O ATOM 0 H SER A 33 8.765 5.495 5.871 1.00 10.02 H new ATOM 0 HA SER A 33 7.296 3.659 7.572 1.00 50.04 H new ATOM 0 HB2 SER A 33 9.390 5.684 7.795 1.00 70.43 H new ATOM 0 HB3 SER A 33 8.135 5.993 8.978 1.00 70.43 H new ATOM 0 HG SER A 33 9.736 4.509 9.765 1.00 72.22 H new ATOM 493 N ASP A 34 5.572 5.935 6.421 1.00 62.32 N ATOM 494 CA ASP A 34 4.468 6.898 6.464 1.00 24.11 C ATOM 495 C ASP A 34 3.121 6.284 6.857 1.00 25.52 C ATOM 496 O ASP A 34 2.122 6.994 6.947 1.00 31.41 O ATOM 497 CB ASP A 34 4.347 7.576 5.092 1.00 73.13 C ATOM 498 CG ASP A 34 4.060 9.070 5.161 1.00 1.21 C ATOM 499 OD1 ASP A 34 3.659 9.597 6.225 1.00 44.20 O ATOM 500 OD2 ASP A 34 4.328 9.743 4.140 1.00 53.23 O ATOM 0 H ASP A 34 5.840 5.667 5.474 1.00 62.32 H new ATOM 0 HA ASP A 34 4.708 7.620 7.245 1.00 24.11 H new ATOM 0 HB2 ASP A 34 5.273 7.420 4.538 1.00 73.13 H new ATOM 0 HB3 ASP A 34 3.552 7.090 4.527 1.00 73.13 H new ATOM 505 N LEU A 35 3.062 4.959 7.028 1.00 73.41 N ATOM 506 CA LEU A 35 1.848 4.215 7.315 1.00 32.52 C ATOM 507 C LEU A 35 1.847 3.742 8.764 1.00 54.43 C ATOM 508 O LEU A 35 2.872 3.800 9.445 1.00 53.43 O ATOM 509 CB LEU A 35 1.687 3.023 6.362 1.00 30.32 C ATOM 510 CG LEU A 35 1.935 3.275 4.871 1.00 63.43 C ATOM 511 CD1 LEU A 35 1.047 4.419 4.362 1.00 41.34 C ATOM 512 CD2 LEU A 35 3.413 3.458 4.499 1.00 71.11 C ATOM 0 H LEU A 35 3.888 4.364 6.967 1.00 73.41 H new ATOM 0 HA LEU A 35 1.000 4.883 7.162 1.00 32.52 H new ATOM 0 HB2 LEU A 35 2.367 2.236 6.689 1.00 30.32 H new ATOM 0 HB3 LEU A 35 0.674 2.636 6.475 1.00 30.32 H new ATOM 0 HG LEU A 35 1.645 2.362 4.351 1.00 63.43 H new ATOM 0 HD11 LEU A 35 1.237 4.583 3.301 1.00 41.34 H new ATOM 0 HD12 LEU A 35 -0.001 4.158 4.506 1.00 41.34 H new ATOM 0 HD13 LEU A 35 1.274 5.330 4.916 1.00 41.34 H new ATOM 0 HD21 LEU A 35 3.499 3.631 3.426 1.00 71.11 H new ATOM 0 HD22 LEU A 35 3.821 4.313 5.039 1.00 71.11 H new ATOM 0 HD23 LEU A 35 3.970 2.560 4.767 1.00 71.11 H new ATOM 524 N ASP A 36 0.697 3.241 9.206 1.00 72.14 N ATOM 525 CA ASP A 36 0.421 2.857 10.584 1.00 3.02 C ATOM 526 C ASP A 36 0.353 1.338 10.694 1.00 53.10 C ATOM 527 O ASP A 36 0.288 0.642 9.681 1.00 50.24 O ATOM 528 CB ASP A 36 -0.924 3.464 11.025 1.00 62.51 C ATOM 529 CG ASP A 36 -0.973 4.985 11.103 1.00 61.14 C ATOM 530 OD1 ASP A 36 -0.134 5.593 11.799 1.00 74.34 O ATOM 531 OD2 ASP A 36 -1.899 5.566 10.487 1.00 21.52 O ATOM 0 H ASP A 36 -0.099 3.086 8.588 1.00 72.14 H new ATOM 0 HA ASP A 36 1.219 3.228 11.227 1.00 3.02 H new ATOM 0 HB2 ASP A 36 -1.696 3.130 10.332 1.00 62.51 H new ATOM 0 HB3 ASP A 36 -1.179 3.061 12.005 1.00 62.51 H new ATOM 536 N GLU A 37 0.268 0.826 11.922 1.00 5.13 N ATOM 537 CA GLU A 37 0.174 -0.598 12.232 1.00 74.41 C ATOM 538 C GLU A 37 -0.958 -1.268 11.442 1.00 42.24 C ATOM 539 O GLU A 37 -0.781 -2.320 10.833 1.00 24.23 O ATOM 540 CB GLU A 37 -0.078 -0.746 13.739 1.00 54.30 C ATOM 541 CG GLU A 37 0.258 -2.156 14.228 1.00 70.10 C ATOM 542 CD GLU A 37 1.763 -2.309 14.440 1.00 23.22 C ATOM 543 OE1 GLU A 37 2.321 -1.616 15.328 1.00 64.34 O ATOM 544 OE2 GLU A 37 2.382 -3.097 13.693 1.00 4.04 O ATOM 0 H GLU A 37 0.263 1.413 12.756 1.00 5.13 H new ATOM 0 HA GLU A 37 1.105 -1.089 11.949 1.00 74.41 H new ATOM 0 HB2 GLU A 37 0.524 -0.018 14.283 1.00 54.30 H new ATOM 0 HB3 GLU A 37 -1.122 -0.523 13.958 1.00 54.30 H new ATOM 0 HG2 GLU A 37 -0.268 -2.358 15.161 1.00 70.10 H new ATOM 0 HG3 GLU A 37 -0.089 -2.891 13.501 1.00 70.10 H new ATOM 551 N ARG A 38 -2.121 -0.616 11.391 1.00 25.14 N ATOM 552 CA ARG A 38 -3.296 -1.026 10.631 1.00 14.23 C ATOM 553 C ARG A 38 -3.034 -1.186 9.138 1.00 41.42 C ATOM 554 O ARG A 38 -3.803 -1.875 8.469 1.00 51.41 O ATOM 555 CB ARG A 38 -4.429 -0.033 10.914 1.00 43.42 C ATOM 556 CG ARG A 38 -4.012 1.382 10.512 1.00 22.11 C ATOM 557 CD ARG A 38 -5.028 2.438 10.934 1.00 73.40 C ATOM 558 NE ARG A 38 -4.509 3.801 10.726 1.00 63.43 N ATOM 559 CZ ARG A 38 -5.212 4.932 10.813 1.00 30.54 C ATOM 560 NH1 ARG A 38 -6.500 4.924 11.140 1.00 65.13 N ATOM 561 NH2 ARG A 38 -4.610 6.082 10.569 1.00 32.21 N ATOM 0 H ARG A 38 -2.273 0.253 11.904 1.00 25.14 H new ATOM 0 HA ARG A 38 -3.585 -2.023 10.962 1.00 14.23 H new ATOM 0 HB2 ARG A 38 -5.323 -0.325 10.363 1.00 43.42 H new ATOM 0 HB3 ARG A 38 -4.685 -0.056 11.973 1.00 43.42 H new ATOM 0 HG2 ARG A 38 -3.046 1.613 10.961 1.00 22.11 H new ATOM 0 HG3 ARG A 38 -3.879 1.424 9.431 1.00 22.11 H new ATOM 0 HD2 ARG A 38 -5.948 2.307 10.364 1.00 73.40 H new ATOM 0 HD3 ARG A 38 -5.282 2.301 11.985 1.00 73.40 H new ATOM 0 HE ARG A 38 -3.520 3.888 10.494 1.00 63.43 H new ATOM 0 HH11 ARG A 38 -6.972 4.040 11.331 1.00 65.13 H new ATOM 0 HH12 ARG A 38 -7.016 5.802 11.200 1.00 65.13 H new ATOM 0 HH21 ARG A 38 -3.621 6.097 10.318 1.00 32.21 H new ATOM 0 HH22 ARG A 38 -5.134 6.955 10.631 1.00 32.21 H new ATOM 575 N ALA A 39 -2.007 -0.542 8.582 1.00 1.33 N ATOM 576 CA ALA A 39 -1.626 -0.738 7.196 1.00 53.33 C ATOM 577 C ALA A 39 -0.805 -2.014 7.049 1.00 12.45 C ATOM 578 O ALA A 39 -0.954 -2.679 6.029 1.00 2.23 O ATOM 579 CB ALA A 39 -0.840 0.464 6.677 1.00 74.33 C ATOM 0 H ALA A 39 -1.422 0.126 9.084 1.00 1.33 H new ATOM 0 HA ALA A 39 -2.533 -0.836 6.600 1.00 53.33 H new ATOM 0 HB1 ALA A 39 -0.564 0.296 5.636 1.00 74.33 H new ATOM 0 HB2 ALA A 39 -1.456 1.360 6.749 1.00 74.33 H new ATOM 0 HB3 ALA A 39 0.062 0.595 7.275 1.00 74.33 H new ATOM 585 N ILE A 40 0.050 -2.349 8.023 1.00 30.25 N ATOM 586 CA ILE A 40 0.755 -3.636 8.039 1.00 33.15 C ATOM 587 C ILE A 40 -0.285 -4.749 8.165 1.00 23.52 C ATOM 588 O ILE A 40 -0.396 -5.605 7.292 1.00 74.14 O ATOM 589 CB ILE A 40 1.798 -3.717 9.186 1.00 50.23 C ATOM 590 CG1 ILE A 40 2.691 -2.468 9.318 1.00 61.21 C ATOM 591 CG2 ILE A 40 2.668 -4.982 9.044 1.00 52.41 C ATOM 592 CD1 ILE A 40 3.383 -2.034 8.025 1.00 65.41 C ATOM 0 H ILE A 40 0.271 -1.743 8.813 1.00 30.25 H new ATOM 0 HA ILE A 40 1.315 -3.747 7.111 1.00 33.15 H new ATOM 0 HB ILE A 40 1.216 -3.769 10.106 1.00 50.23 H new ATOM 0 HG12 ILE A 40 2.082 -1.641 9.683 1.00 61.21 H new ATOM 0 HG13 ILE A 40 3.452 -2.661 10.074 1.00 61.21 H new ATOM 0 HG21 ILE A 40 3.392 -5.019 9.858 1.00 52.41 H new ATOM 0 HG22 ILE A 40 2.033 -5.867 9.083 1.00 52.41 H new ATOM 0 HG23 ILE A 40 3.195 -4.956 8.090 1.00 52.41 H new ATOM 0 HD11 ILE A 40 3.989 -1.148 8.216 1.00 65.41 H new ATOM 0 HD12 ILE A 40 4.023 -2.840 7.666 1.00 65.41 H new ATOM 0 HD13 ILE A 40 2.632 -1.804 7.270 1.00 65.41 H new ATOM 604 N GLU A 41 -1.060 -4.724 9.248 1.00 44.10 N ATOM 605 CA GLU A 41 -1.966 -5.793 9.629 1.00 41.31 C ATOM 606 C GLU A 41 -2.996 -6.060 8.534 1.00 64.41 C ATOM 607 O GLU A 41 -3.223 -7.221 8.189 1.00 70.20 O ATOM 608 CB GLU A 41 -2.626 -5.398 10.961 1.00 34.52 C ATOM 609 CG GLU A 41 -3.883 -6.222 11.264 1.00 61.32 C ATOM 610 CD GLU A 41 -4.220 -6.226 12.748 1.00 50.00 C ATOM 611 OE1 GLU A 41 -3.608 -7.050 13.469 1.00 3.02 O ATOM 612 OE2 GLU A 41 -5.080 -5.419 13.181 1.00 31.31 O ATOM 0 H GLU A 41 -1.072 -3.938 9.898 1.00 44.10 H new ATOM 0 HA GLU A 41 -1.418 -6.727 9.759 1.00 41.31 H new ATOM 0 HB2 GLU A 41 -1.908 -5.527 11.770 1.00 34.52 H new ATOM 0 HB3 GLU A 41 -2.888 -4.340 10.933 1.00 34.52 H new ATOM 0 HG2 GLU A 41 -4.725 -5.818 10.702 1.00 61.32 H new ATOM 0 HG3 GLU A 41 -3.735 -7.247 10.923 1.00 61.32 H new ATOM 619 N ALA A 42 -3.630 -5.011 8.001 1.00 70.33 N ATOM 620 CA ALA A 42 -4.679 -5.192 7.012 1.00 21.44 C ATOM 621 C ALA A 42 -4.119 -5.680 5.677 1.00 61.42 C ATOM 622 O ALA A 42 -4.821 -6.421 4.993 1.00 71.44 O ATOM 623 CB ALA A 42 -5.457 -3.899 6.827 1.00 13.45 C ATOM 0 H ALA A 42 -3.433 -4.039 8.240 1.00 70.33 H new ATOM 0 HA ALA A 42 -5.356 -5.962 7.382 1.00 21.44 H new ATOM 0 HB1 ALA A 42 -6.240 -4.049 6.083 1.00 13.45 H new ATOM 0 HB2 ALA A 42 -5.908 -3.607 7.775 1.00 13.45 H new ATOM 0 HB3 ALA A 42 -4.781 -3.113 6.490 1.00 13.45 H new ATOM 629 N LEU A 43 -2.876 -5.331 5.309 1.00 10.35 N ATOM 630 CA LEU A 43 -2.200 -5.909 4.152 1.00 31.25 C ATOM 631 C LEU A 43 -2.178 -7.434 4.230 1.00 54.13 C ATOM 632 O LEU A 43 -2.374 -8.089 3.205 1.00 41.32 O ATOM 633 CB LEU A 43 -0.768 -5.345 4.025 1.00 11.02 C ATOM 634 CG LEU A 43 -0.664 -4.302 2.908 1.00 43.21 C ATOM 635 CD1 LEU A 43 0.641 -3.501 3.009 1.00 21.43 C ATOM 636 CD2 LEU A 43 -0.727 -4.945 1.513 1.00 65.50 C ATOM 0 H LEU A 43 -2.317 -4.640 5.809 1.00 10.35 H new ATOM 0 HA LEU A 43 -2.761 -5.631 3.260 1.00 31.25 H new ATOM 0 HB2 LEU A 43 -0.470 -4.895 4.972 1.00 11.02 H new ATOM 0 HB3 LEU A 43 -0.072 -6.160 3.827 1.00 11.02 H new ATOM 0 HG LEU A 43 -1.518 -3.637 3.037 1.00 43.21 H new ATOM 0 HD11 LEU A 43 0.683 -2.770 2.202 1.00 21.43 H new ATOM 0 HD12 LEU A 43 0.678 -2.985 3.968 1.00 21.43 H new ATOM 0 HD13 LEU A 43 1.491 -4.179 2.929 1.00 21.43 H new ATOM 0 HD21 LEU A 43 -0.650 -4.169 0.751 1.00 65.50 H new ATOM 0 HD22 LEU A 43 0.097 -5.649 1.399 1.00 65.50 H new ATOM 0 HD23 LEU A 43 -1.674 -5.473 1.398 1.00 65.50 H new ATOM 648 N LYS A 44 -1.987 -8.015 5.419 1.00 54.45 N ATOM 649 CA LYS A 44 -1.982 -9.469 5.595 1.00 11.24 C ATOM 650 C LYS A 44 -3.350 -10.081 5.264 1.00 2.23 C ATOM 651 O LYS A 44 -3.421 -11.247 4.883 1.00 74.21 O ATOM 652 CB LYS A 44 -1.594 -9.839 7.039 1.00 42.44 C ATOM 653 CG LYS A 44 -0.369 -9.121 7.631 1.00 1.34 C ATOM 654 CD LYS A 44 0.979 -9.435 6.956 1.00 53.05 C ATOM 655 CE LYS A 44 1.882 -10.244 7.892 1.00 2.41 C ATOM 656 NZ LYS A 44 2.075 -11.641 7.449 1.00 43.11 N ATOM 0 H LYS A 44 -1.832 -7.493 6.282 1.00 54.45 H new ATOM 0 HA LYS A 44 -1.244 -9.875 4.904 1.00 11.24 H new ATOM 0 HB2 LYS A 44 -2.450 -9.639 7.683 1.00 42.44 H new ATOM 0 HB3 LYS A 44 -1.411 -10.913 7.077 1.00 42.44 H new ATOM 0 HG2 LYS A 44 -0.540 -8.046 7.577 1.00 1.34 H new ATOM 0 HG3 LYS A 44 -0.295 -9.379 8.687 1.00 1.34 H new ATOM 0 HD2 LYS A 44 0.808 -9.994 6.036 1.00 53.05 H new ATOM 0 HD3 LYS A 44 1.476 -8.506 6.677 1.00 53.05 H new ATOM 0 HE2 LYS A 44 2.853 -9.754 7.963 1.00 2.41 H new ATOM 0 HE3 LYS A 44 1.451 -10.243 8.893 1.00 2.41 H new ATOM 0 HZ1 LYS A 44 2.534 -12.185 8.207 1.00 43.11 H new ATOM 0 HZ2 LYS A 44 1.152 -12.066 7.228 1.00 43.11 H new ATOM 0 HZ3 LYS A 44 2.675 -11.656 6.600 1.00 43.11 H new ATOM 670 N GLU A 45 -4.441 -9.318 5.399 1.00 11.43 N ATOM 671 CA GLU A 45 -5.789 -9.794 5.099 1.00 71.14 C ATOM 672 C GLU A 45 -6.045 -9.886 3.587 1.00 30.54 C ATOM 673 O GLU A 45 -6.993 -10.555 3.165 1.00 71.51 O ATOM 674 CB GLU A 45 -6.862 -8.879 5.714 1.00 4.13 C ATOM 675 CG GLU A 45 -6.805 -8.642 7.237 1.00 70.42 C ATOM 676 CD GLU A 45 -7.864 -7.627 7.706 1.00 61.14 C ATOM 677 OE1 GLU A 45 -8.787 -7.300 6.921 1.00 63.12 O ATOM 678 OE2 GLU A 45 -7.779 -7.132 8.855 1.00 74.43 O ATOM 0 H GLU A 45 -4.410 -8.351 5.721 1.00 11.43 H new ATOM 0 HA GLU A 45 -5.857 -10.790 5.537 1.00 71.14 H new ATOM 0 HB2 GLU A 45 -6.801 -7.909 5.220 1.00 4.13 H new ATOM 0 HB3 GLU A 45 -7.839 -9.298 5.475 1.00 4.13 H new ATOM 0 HG2 GLU A 45 -6.956 -9.588 7.756 1.00 70.42 H new ATOM 0 HG3 GLU A 45 -5.813 -8.283 7.511 1.00 70.42 H new ATOM 685 N PHE A 46 -5.237 -9.217 2.766 1.00 45.41 N ATOM 686 CA PHE A 46 -5.382 -9.221 1.323 1.00 53.14 C ATOM 687 C PHE A 46 -4.601 -10.387 0.737 1.00 23.24 C ATOM 688 O PHE A 46 -3.503 -10.735 1.184 1.00 65.45 O ATOM 689 CB PHE A 46 -4.954 -7.884 0.707 1.00 62.43 C ATOM 690 CG PHE A 46 -6.025 -6.818 0.822 1.00 71.34 C ATOM 691 CD1 PHE A 46 -7.058 -6.749 -0.133 1.00 3.03 C ATOM 692 CD2 PHE A 46 -6.022 -5.922 1.903 1.00 4.31 C ATOM 693 CE1 PHE A 46 -8.073 -5.785 -0.008 1.00 22.24 C ATOM 694 CE2 PHE A 46 -7.034 -4.955 2.026 1.00 30.35 C ATOM 695 CZ PHE A 46 -8.063 -4.883 1.070 1.00 4.45 C ATOM 0 H PHE A 46 -4.455 -8.651 3.095 1.00 45.41 H new ATOM 0 HA PHE A 46 -6.436 -9.349 1.078 1.00 53.14 H new ATOM 0 HB2 PHE A 46 -4.046 -7.536 1.199 1.00 62.43 H new ATOM 0 HB3 PHE A 46 -4.709 -8.035 -0.344 1.00 62.43 H new ATOM 0 HD1 PHE A 46 -7.070 -7.439 -0.964 1.00 3.03 H new ATOM 0 HD2 PHE A 46 -5.238 -5.976 2.644 1.00 4.31 H new ATOM 0 HE1 PHE A 46 -8.863 -5.737 -0.743 1.00 22.24 H new ATOM 0 HE2 PHE A 46 -7.022 -4.265 2.857 1.00 30.35 H new ATOM 0 HZ PHE A 46 -8.841 -4.139 1.164 1.00 4.45 H new ATOM 705 N ASN A 47 -5.211 -11.002 -0.266 1.00 54.25 N ATOM 706 CA ASN A 47 -4.555 -11.879 -1.219 1.00 63.33 C ATOM 707 C ASN A 47 -3.635 -11.059 -2.108 1.00 21.32 C ATOM 708 O ASN A 47 -3.627 -9.829 -2.066 1.00 54.42 O ATOM 709 CB ASN A 47 -5.565 -12.607 -2.118 1.00 21.41 C ATOM 710 CG ASN A 47 -6.178 -11.710 -3.177 1.00 45.34 C ATOM 711 OD1 ASN A 47 -5.764 -11.732 -4.328 1.00 70.14 O ATOM 712 ND2 ASN A 47 -7.139 -10.881 -2.836 1.00 21.23 N ATOM 0 H ASN A 47 -6.210 -10.899 -0.443 1.00 54.25 H new ATOM 0 HA ASN A 47 -3.996 -12.621 -0.649 1.00 63.33 H new ATOM 0 HB2 ASN A 47 -5.069 -13.447 -2.605 1.00 21.41 H new ATOM 0 HB3 ASN A 47 -6.360 -13.022 -1.498 1.00 21.41 H new ATOM 0 HD21 ASN A 47 -7.542 -10.253 -3.532 1.00 21.23 H new ATOM 0 HD22 ASN A 47 -7.482 -10.865 -1.876 1.00 21.23 H new ATOM 719 N GLU A 48 -2.925 -11.778 -2.966 1.00 74.25 N ATOM 720 CA GLU A 48 -1.949 -11.224 -3.871 1.00 54.14 C ATOM 721 C GLU A 48 -2.547 -10.114 -4.736 1.00 21.40 C ATOM 722 O GLU A 48 -2.071 -8.982 -4.710 1.00 3.23 O ATOM 723 CB GLU A 48 -1.359 -12.345 -4.743 1.00 71.14 C ATOM 724 CG GLU A 48 0.070 -11.934 -5.068 1.00 12.21 C ATOM 725 CD GLU A 48 0.730 -12.692 -6.210 1.00 62.14 C ATOM 726 OE1 GLU A 48 0.113 -12.870 -7.289 1.00 23.42 O ATOM 727 OE2 GLU A 48 1.922 -13.027 -6.058 1.00 42.21 O ATOM 0 H GLU A 48 -3.021 -12.790 -3.048 1.00 74.25 H new ATOM 0 HA GLU A 48 -1.151 -10.772 -3.282 1.00 54.14 H new ATOM 0 HB2 GLU A 48 -1.378 -13.298 -4.214 1.00 71.14 H new ATOM 0 HB3 GLU A 48 -1.942 -12.475 -5.655 1.00 71.14 H new ATOM 0 HG2 GLU A 48 0.077 -10.871 -5.310 1.00 12.21 H new ATOM 0 HG3 GLU A 48 0.678 -12.061 -4.172 1.00 12.21 H new ATOM 734 N ASP A 49 -3.581 -10.436 -5.511 1.00 33.24 N ATOM 735 CA ASP A 49 -4.090 -9.522 -6.524 1.00 30.14 C ATOM 736 C ASP A 49 -4.956 -8.441 -5.896 1.00 3.42 C ATOM 737 O ASP A 49 -5.005 -7.328 -6.410 1.00 30.42 O ATOM 738 CB ASP A 49 -4.880 -10.250 -7.606 1.00 11.51 C ATOM 739 CG ASP A 49 -5.127 -9.299 -8.780 1.00 10.51 C ATOM 740 OD1 ASP A 49 -4.142 -8.791 -9.368 1.00 51.52 O ATOM 741 OD2 ASP A 49 -6.317 -9.018 -9.066 1.00 5.34 O ATOM 0 H ASP A 49 -4.081 -11.323 -5.455 1.00 33.24 H new ATOM 0 HA ASP A 49 -3.222 -9.058 -6.993 1.00 30.14 H new ATOM 0 HB2 ASP A 49 -4.331 -11.129 -7.944 1.00 11.51 H new ATOM 0 HB3 ASP A 49 -5.829 -10.603 -7.203 1.00 11.51 H new ATOM 746 N GLY A 50 -5.594 -8.737 -4.759 1.00 13.42 N ATOM 747 CA GLY A 50 -6.305 -7.731 -3.989 1.00 32.34 C ATOM 748 C GLY A 50 -5.322 -6.669 -3.513 1.00 42.10 C ATOM 749 O GLY A 50 -5.558 -5.479 -3.710 1.00 65.24 O ATOM 0 H GLY A 50 -5.628 -9.673 -4.356 1.00 13.42 H new ATOM 0 HA2 GLY A 50 -7.084 -7.274 -4.599 1.00 32.34 H new ATOM 0 HA3 GLY A 50 -6.799 -8.193 -3.135 1.00 32.34 H new ATOM 753 N ALA A 51 -4.194 -7.082 -2.923 1.00 14.42 N ATOM 754 CA ALA A 51 -3.155 -6.152 -2.509 1.00 12.35 C ATOM 755 C ALA A 51 -2.624 -5.367 -3.713 1.00 72.13 C ATOM 756 O ALA A 51 -2.456 -4.152 -3.625 1.00 43.11 O ATOM 757 CB ALA A 51 -2.032 -6.898 -1.781 1.00 50.44 C ATOM 0 H ALA A 51 -3.984 -8.060 -2.724 1.00 14.42 H new ATOM 0 HA ALA A 51 -3.583 -5.432 -1.811 1.00 12.35 H new ATOM 0 HB1 ALA A 51 -1.262 -6.189 -1.477 1.00 50.44 H new ATOM 0 HB2 ALA A 51 -2.437 -7.394 -0.899 1.00 50.44 H new ATOM 0 HB3 ALA A 51 -1.597 -7.642 -2.448 1.00 50.44 H new ATOM 763 N LEU A 52 -2.372 -6.026 -4.847 1.00 10.12 N ATOM 764 CA LEU A 52 -1.883 -5.342 -6.043 1.00 54.23 C ATOM 765 C LEU A 52 -2.899 -4.338 -6.584 1.00 14.41 C ATOM 766 O LEU A 52 -2.506 -3.272 -7.056 1.00 54.34 O ATOM 767 CB LEU A 52 -1.490 -6.352 -7.136 1.00 31.22 C ATOM 768 CG LEU A 52 0.006 -6.703 -7.167 1.00 22.34 C ATOM 769 CD1 LEU A 52 0.869 -5.485 -7.497 1.00 3.11 C ATOM 770 CD2 LEU A 52 0.530 -7.337 -5.876 1.00 24.01 C ATOM 0 H LEU A 52 -2.499 -7.032 -4.960 1.00 10.12 H new ATOM 0 HA LEU A 52 -0.994 -4.784 -5.749 1.00 54.23 H new ATOM 0 HB2 LEU A 52 -2.063 -7.268 -6.990 1.00 31.22 H new ATOM 0 HB3 LEU A 52 -1.776 -5.948 -8.107 1.00 31.22 H new ATOM 0 HG LEU A 52 0.087 -7.449 -7.958 1.00 22.34 H new ATOM 0 HD11 LEU A 52 1.919 -5.776 -7.509 1.00 3.11 H new ATOM 0 HD12 LEU A 52 0.589 -5.095 -8.476 1.00 3.11 H new ATOM 0 HD13 LEU A 52 0.715 -4.714 -6.742 1.00 3.11 H new ATOM 0 HD21 LEU A 52 1.593 -7.553 -5.982 1.00 24.01 H new ATOM 0 HD22 LEU A 52 0.381 -6.647 -5.045 1.00 24.01 H new ATOM 0 HD23 LEU A 52 -0.011 -8.263 -5.680 1.00 24.01 H new ATOM 782 N ALA A 53 -4.196 -4.630 -6.514 1.00 41.51 N ATOM 783 CA ALA A 53 -5.233 -3.694 -6.916 1.00 42.11 C ATOM 784 C ALA A 53 -5.263 -2.492 -5.975 1.00 42.31 C ATOM 785 O ALA A 53 -5.342 -1.347 -6.428 1.00 72.10 O ATOM 786 CB ALA A 53 -6.579 -4.411 -6.957 1.00 41.40 C ATOM 0 H ALA A 53 -4.553 -5.524 -6.176 1.00 41.51 H new ATOM 0 HA ALA A 53 -5.015 -3.317 -7.915 1.00 42.11 H new ATOM 0 HB1 ALA A 53 -7.356 -3.709 -7.258 1.00 41.40 H new ATOM 0 HB2 ALA A 53 -6.533 -5.231 -7.674 1.00 41.40 H new ATOM 0 HB3 ALA A 53 -6.811 -4.806 -5.968 1.00 41.40 H new ATOM 792 N VAL A 54 -5.170 -2.725 -4.668 1.00 54.52 N ATOM 793 CA VAL A 54 -5.070 -1.667 -3.674 1.00 10.41 C ATOM 794 C VAL A 54 -3.882 -0.748 -4.011 1.00 22.54 C ATOM 795 O VAL A 54 -4.009 0.478 -3.921 1.00 41.02 O ATOM 796 CB VAL A 54 -4.987 -2.314 -2.277 1.00 64.51 C ATOM 797 CG1 VAL A 54 -4.671 -1.297 -1.194 1.00 63.42 C ATOM 798 CG2 VAL A 54 -6.293 -3.011 -1.856 1.00 50.32 C ATOM 0 H VAL A 54 -5.162 -3.663 -4.269 1.00 54.52 H new ATOM 0 HA VAL A 54 -5.952 -1.026 -3.679 1.00 10.41 H new ATOM 0 HB VAL A 54 -4.186 -3.048 -2.370 1.00 64.51 H new ATOM 0 HG11 VAL A 54 -4.622 -1.798 -0.227 1.00 63.42 H new ATOM 0 HG12 VAL A 54 -3.712 -0.825 -1.407 1.00 63.42 H new ATOM 0 HG13 VAL A 54 -5.452 -0.537 -1.170 1.00 63.42 H new ATOM 0 HG21 VAL A 54 -6.170 -3.446 -0.864 1.00 50.32 H new ATOM 0 HG22 VAL A 54 -7.104 -2.283 -1.835 1.00 50.32 H new ATOM 0 HG23 VAL A 54 -6.532 -3.799 -2.571 1.00 50.32 H new ATOM 808 N LEU A 55 -2.737 -1.310 -4.417 1.00 30.12 N ATOM 809 CA LEU A 55 -1.522 -0.543 -4.679 1.00 61.41 C ATOM 810 C LEU A 55 -1.599 0.195 -6.010 1.00 5.34 C ATOM 811 O LEU A 55 -1.124 1.330 -6.102 1.00 2.15 O ATOM 812 CB LEU A 55 -0.264 -1.428 -4.688 1.00 34.42 C ATOM 813 CG LEU A 55 0.169 -1.997 -3.325 1.00 31.11 C ATOM 814 CD1 LEU A 55 1.561 -2.614 -3.481 1.00 61.24 C ATOM 815 CD2 LEU A 55 0.193 -0.948 -2.204 1.00 10.22 C ATOM 0 H LEU A 55 -2.631 -2.313 -4.572 1.00 30.12 H new ATOM 0 HA LEU A 55 -1.447 0.176 -3.863 1.00 61.41 H new ATOM 0 HB2 LEU A 55 -0.435 -2.261 -5.370 1.00 34.42 H new ATOM 0 HB3 LEU A 55 0.563 -0.846 -5.096 1.00 34.42 H new ATOM 0 HG LEU A 55 -0.569 -2.742 -3.030 1.00 31.11 H new ATOM 0 HD11 LEU A 55 1.887 -3.024 -2.525 1.00 61.24 H new ATOM 0 HD12 LEU A 55 1.525 -3.411 -4.224 1.00 61.24 H new ATOM 0 HD13 LEU A 55 2.264 -1.847 -3.806 1.00 61.24 H new ATOM 0 HD21 LEU A 55 0.507 -1.418 -1.272 1.00 10.22 H new ATOM 0 HD22 LEU A 55 0.893 -0.154 -2.464 1.00 10.22 H new ATOM 0 HD23 LEU A 55 -0.804 -0.526 -2.079 1.00 10.22 H new ATOM 827 N GLN A 56 -2.188 -0.419 -7.037 1.00 31.14 N ATOM 828 CA GLN A 56 -2.299 0.218 -8.336 1.00 43.22 C ATOM 829 C GLN A 56 -3.244 1.419 -8.268 1.00 34.14 C ATOM 830 O GLN A 56 -3.032 2.378 -9.002 1.00 5.23 O ATOM 831 CB GLN A 56 -2.631 -0.818 -9.422 1.00 62.10 C ATOM 832 CG GLN A 56 -4.114 -1.095 -9.694 1.00 62.23 C ATOM 833 CD GLN A 56 -4.311 -2.361 -10.529 1.00 62.32 C ATOM 834 OE1 GLN A 56 -4.972 -2.350 -11.570 1.00 0.52 O ATOM 835 NE2 GLN A 56 -3.772 -3.485 -10.080 1.00 13.34 N ATOM 0 H GLN A 56 -2.592 -1.354 -6.988 1.00 31.14 H new ATOM 0 HA GLN A 56 -1.336 0.635 -8.632 1.00 43.22 H new ATOM 0 HB2 GLN A 56 -2.172 -0.489 -10.354 1.00 62.10 H new ATOM 0 HB3 GLN A 56 -2.156 -1.760 -9.147 1.00 62.10 H new ATOM 0 HG2 GLN A 56 -4.644 -1.198 -8.747 1.00 62.23 H new ATOM 0 HG3 GLN A 56 -4.553 -0.244 -10.215 1.00 62.23 H new ATOM 0 HE21 GLN A 56 -3.227 -3.481 -9.218 1.00 13.34 H new ATOM 0 HE22 GLN A 56 -3.902 -4.355 -10.597 1.00 13.34 H new ATOM 844 N GLN A 57 -4.236 1.413 -7.367 1.00 31.24 N ATOM 845 CA GLN A 57 -5.055 2.606 -7.138 1.00 32.02 C ATOM 846 C GLN A 57 -4.274 3.645 -6.321 1.00 73.43 C ATOM 847 O GLN A 57 -4.426 4.848 -6.524 1.00 30.14 O ATOM 848 CB GLN A 57 -6.355 2.213 -6.421 1.00 62.33 C ATOM 849 CG GLN A 57 -7.398 3.346 -6.434 1.00 73.13 C ATOM 850 CD GLN A 57 -8.642 2.986 -5.628 1.00 34.14 C ATOM 851 OE1 GLN A 57 -9.009 3.662 -4.668 1.00 13.24 O ATOM 852 NE2 GLN A 57 -9.315 1.901 -5.961 1.00 33.23 N ATOM 0 H GLN A 57 -4.487 0.607 -6.794 1.00 31.24 H new ATOM 0 HA GLN A 57 -5.307 3.055 -8.099 1.00 32.02 H new ATOM 0 HB2 GLN A 57 -6.777 1.329 -6.899 1.00 62.33 H new ATOM 0 HB3 GLN A 57 -6.130 1.942 -5.390 1.00 62.33 H new ATOM 0 HG2 GLN A 57 -6.952 4.254 -6.027 1.00 73.13 H new ATOM 0 HG3 GLN A 57 -7.683 3.565 -7.463 1.00 73.13 H new ATOM 0 HE21 GLN A 57 -9.014 1.338 -6.756 1.00 33.23 H new ATOM 0 HE22 GLN A 57 -10.137 1.625 -5.423 1.00 33.23 H new ATOM 861 N PHE A 58 -3.456 3.182 -5.371 1.00 34.43 N ATOM 862 CA PHE A 58 -2.727 4.030 -4.443 1.00 34.35 C ATOM 863 C PHE A 58 -1.848 5.046 -5.178 1.00 30.14 C ATOM 864 O PHE A 58 -2.009 6.246 -4.945 1.00 14.41 O ATOM 865 CB PHE A 58 -1.901 3.162 -3.483 1.00 14.45 C ATOM 866 CG PHE A 58 -1.263 3.905 -2.331 1.00 65.34 C ATOM 867 CD1 PHE A 58 -1.998 4.799 -1.523 1.00 42.33 C ATOM 868 CD2 PHE A 58 0.107 3.708 -2.087 1.00 30.41 C ATOM 869 CE1 PHE A 58 -1.343 5.528 -0.514 1.00 72.30 C ATOM 870 CE2 PHE A 58 0.763 4.460 -1.107 1.00 70.10 C ATOM 871 CZ PHE A 58 0.041 5.381 -0.342 1.00 45.31 C ATOM 0 H PHE A 58 -3.284 2.187 -5.229 1.00 34.43 H new ATOM 0 HA PHE A 58 -3.448 4.603 -3.860 1.00 34.35 H new ATOM 0 HB2 PHE A 58 -2.545 2.381 -3.079 1.00 14.45 H new ATOM 0 HB3 PHE A 58 -1.116 2.664 -4.053 1.00 14.45 H new ATOM 0 HD1 PHE A 58 -3.059 4.923 -1.679 1.00 42.33 H new ATOM 0 HD2 PHE A 58 0.655 2.973 -2.658 1.00 30.41 H new ATOM 0 HE1 PHE A 58 -1.902 6.196 0.124 1.00 72.30 H new ATOM 0 HE2 PHE A 58 1.822 4.330 -0.942 1.00 70.10 H new ATOM 0 HZ PHE A 58 0.555 5.986 0.390 1.00 45.31 H new ATOM 881 N LYS A 59 -0.920 4.590 -6.037 1.00 52.13 N ATOM 882 CA LYS A 59 0.016 5.501 -6.715 1.00 21.13 C ATOM 883 C LYS A 59 -0.720 6.474 -7.639 1.00 5.15 C ATOM 884 O LYS A 59 -0.277 7.609 -7.800 1.00 52.10 O ATOM 885 CB LYS A 59 1.133 4.732 -7.457 1.00 71.44 C ATOM 886 CG LYS A 59 2.128 5.705 -8.126 1.00 44.54 C ATOM 887 CD LYS A 59 3.365 5.064 -8.769 1.00 61.24 C ATOM 888 CE LYS A 59 4.516 4.780 -7.794 1.00 30.02 C ATOM 889 NZ LYS A 59 5.681 4.217 -8.509 1.00 71.41 N ATOM 0 H LYS A 59 -0.799 3.606 -6.276 1.00 52.13 H new ATOM 0 HA LYS A 59 0.504 6.096 -5.943 1.00 21.13 H new ATOM 0 HB2 LYS A 59 1.664 4.089 -6.755 1.00 71.44 H new ATOM 0 HB3 LYS A 59 0.691 4.082 -8.213 1.00 71.44 H new ATOM 0 HG2 LYS A 59 1.595 6.268 -8.892 1.00 44.54 H new ATOM 0 HG3 LYS A 59 2.463 6.423 -7.377 1.00 44.54 H new ATOM 0 HD2 LYS A 59 3.068 4.128 -9.243 1.00 61.24 H new ATOM 0 HD3 LYS A 59 3.729 5.720 -9.559 1.00 61.24 H new ATOM 0 HE2 LYS A 59 4.805 5.701 -7.287 1.00 30.02 H new ATOM 0 HE3 LYS A 59 4.184 4.083 -7.025 1.00 30.02 H new ATOM 0 HZ1 LYS A 59 6.510 4.222 -7.880 1.00 71.41 H new ATOM 0 HZ2 LYS A 59 5.472 3.240 -8.799 1.00 71.41 H new ATOM 0 HZ3 LYS A 59 5.883 4.792 -9.351 1.00 71.41 H new ATOM 903 N ASP A 60 -1.854 6.060 -8.196 1.00 44.53 N ATOM 904 CA ASP A 60 -2.608 6.785 -9.219 1.00 22.45 C ATOM 905 C ASP A 60 -3.361 8.009 -8.662 1.00 74.03 C ATOM 906 O ASP A 60 -4.209 8.584 -9.355 1.00 41.33 O ATOM 907 CB ASP A 60 -3.569 5.800 -9.911 1.00 63.44 C ATOM 908 CG ASP A 60 -2.895 4.869 -10.921 1.00 63.23 C ATOM 909 OD1 ASP A 60 -1.655 4.684 -10.923 1.00 4.24 O ATOM 910 OD2 ASP A 60 -3.627 4.291 -11.756 1.00 21.02 O ATOM 0 H ASP A 60 -2.292 5.176 -7.938 1.00 44.53 H new ATOM 0 HA ASP A 60 -1.901 7.189 -9.943 1.00 22.45 H new ATOM 0 HB2 ASP A 60 -4.062 5.195 -9.150 1.00 63.44 H new ATOM 0 HB3 ASP A 60 -4.348 6.367 -10.421 1.00 63.44 H new ATOM 915 N SER A 61 -3.110 8.415 -7.416 1.00 41.13 N ATOM 916 CA SER A 61 -3.835 9.463 -6.704 1.00 14.42 C ATOM 917 C SER A 61 -2.948 10.698 -6.452 1.00 61.32 C ATOM 918 O SER A 61 -1.725 10.631 -6.615 1.00 32.05 O ATOM 919 CB SER A 61 -4.393 8.858 -5.421 1.00 10.55 C ATOM 920 OG SER A 61 -5.208 7.718 -5.690 1.00 42.13 O ATOM 0 H SER A 61 -2.364 8.004 -6.854 1.00 41.13 H new ATOM 0 HA SER A 61 -4.663 9.831 -7.311 1.00 14.42 H new ATOM 0 HB2 SER A 61 -3.571 8.572 -4.765 1.00 10.55 H new ATOM 0 HB3 SER A 61 -4.979 9.608 -4.889 1.00 10.55 H new ATOM 0 HG SER A 61 -4.637 6.954 -5.917 1.00 42.13 H new ATOM 926 N ASP A 62 -3.551 11.831 -6.072 1.00 11.52 N ATOM 927 CA ASP A 62 -2.864 13.101 -5.870 1.00 65.44 C ATOM 928 C ASP A 62 -2.552 13.226 -4.395 1.00 30.25 C ATOM 929 O ASP A 62 -3.431 13.455 -3.565 1.00 30.24 O ATOM 930 CB ASP A 62 -3.668 14.332 -6.303 1.00 4.52 C ATOM 931 CG ASP A 62 -2.849 15.581 -5.952 1.00 62.20 C ATOM 932 OD1 ASP A 62 -1.680 15.649 -6.394 1.00 71.33 O ATOM 933 OD2 ASP A 62 -3.326 16.475 -5.214 1.00 42.43 O ATOM 0 H ASP A 62 -4.554 11.886 -5.894 1.00 11.52 H new ATOM 0 HA ASP A 62 -1.972 13.084 -6.496 1.00 65.44 H new ATOM 0 HB2 ASP A 62 -3.871 14.298 -7.373 1.00 4.52 H new ATOM 0 HB3 ASP A 62 -4.633 14.354 -5.797 1.00 4.52 H new ATOM 938 N LEU A 63 -1.289 13.038 -4.059 1.00 41.04 N ATOM 939 CA LEU A 63 -0.840 12.941 -2.679 1.00 54.04 C ATOM 940 C LEU A 63 -0.406 14.291 -2.099 1.00 53.43 C ATOM 941 O LEU A 63 -0.174 14.369 -0.897 1.00 34.15 O ATOM 942 CB LEU A 63 0.260 11.875 -2.610 1.00 72.14 C ATOM 943 CG LEU A 63 -0.276 10.465 -2.933 1.00 10.33 C ATOM 944 CD1 LEU A 63 0.893 9.498 -3.069 1.00 24.41 C ATOM 945 CD2 LEU A 63 -1.283 9.908 -1.908 1.00 42.42 C ATOM 0 H LEU A 63 -0.537 12.947 -4.742 1.00 41.04 H new ATOM 0 HA LEU A 63 -1.674 12.637 -2.046 1.00 54.04 H new ATOM 0 HB2 LEU A 63 1.055 12.129 -3.311 1.00 72.14 H new ATOM 0 HB3 LEU A 63 0.702 11.875 -1.614 1.00 72.14 H new ATOM 0 HG LEU A 63 -0.826 10.563 -3.869 1.00 10.33 H new ATOM 0 HD11 LEU A 63 0.516 8.501 -3.297 1.00 24.41 H new ATOM 0 HD12 LEU A 63 1.549 9.831 -3.873 1.00 24.41 H new ATOM 0 HD13 LEU A 63 1.452 9.469 -2.134 1.00 24.41 H new ATOM 0 HD21 LEU A 63 -1.605 8.914 -2.217 1.00 42.42 H new ATOM 0 HD22 LEU A 63 -0.809 9.848 -0.928 1.00 42.42 H new ATOM 0 HD23 LEU A 63 -2.148 10.568 -1.852 1.00 42.42 H new ATOM 957 N SER A 64 -0.331 15.358 -2.902 1.00 32.54 N ATOM 958 CA SER A 64 0.257 16.635 -2.542 1.00 22.12 C ATOM 959 C SER A 64 -0.399 17.352 -1.346 1.00 61.34 C ATOM 960 O SER A 64 0.282 18.132 -0.673 1.00 1.01 O ATOM 961 CB SER A 64 0.171 17.511 -3.790 1.00 50.41 C ATOM 962 OG SER A 64 1.171 17.193 -4.742 1.00 50.11 O ATOM 0 H SER A 64 -0.695 15.346 -3.855 1.00 32.54 H new ATOM 0 HA SER A 64 1.279 16.452 -2.209 1.00 22.12 H new ATOM 0 HB2 SER A 64 -0.812 17.393 -4.246 1.00 50.41 H new ATOM 0 HB3 SER A 64 0.266 18.558 -3.503 1.00 50.41 H new ATOM 0 HG SER A 64 1.076 17.777 -5.523 1.00 50.11 H new ATOM 968 N HIS A 65 -1.686 17.120 -1.071 1.00 14.25 N ATOM 969 CA HIS A 65 -2.476 17.884 -0.096 1.00 23.24 C ATOM 970 C HIS A 65 -3.249 16.957 0.848 1.00 61.42 C ATOM 971 O HIS A 65 -4.233 17.368 1.474 1.00 3.11 O ATOM 972 CB HIS A 65 -3.429 18.830 -0.846 1.00 23.15 C ATOM 973 CG HIS A 65 -2.761 19.587 -1.963 1.00 62.22 C ATOM 974 ND1 HIS A 65 -2.843 19.275 -3.303 1.00 44.34 N ATOM 975 CD2 HIS A 65 -1.886 20.630 -1.821 1.00 24.43 C ATOM 976 CE1 HIS A 65 -2.049 20.134 -3.961 1.00 11.04 C ATOM 977 NE2 HIS A 65 -1.436 20.968 -3.102 1.00 61.50 N ATOM 0 H HIS A 65 -2.220 16.381 -1.528 1.00 14.25 H new ATOM 0 HA HIS A 65 -1.799 18.473 0.522 1.00 23.24 H new ATOM 0 HB2 HIS A 65 -4.258 18.251 -1.254 1.00 23.15 H new ATOM 0 HB3 HIS A 65 -3.855 19.541 -0.138 1.00 23.15 H new ATOM 0 HD2 HIS A 65 -1.597 21.103 -0.894 1.00 24.43 H new ATOM 0 HE1 HIS A 65 -1.920 20.153 -5.033 1.00 11.04 H new ATOM 0 HE2 HIS A 65 -0.771 21.705 -3.339 1.00 61.50 H new ATOM 985 N VAL A 66 -2.868 15.683 0.893 1.00 13.03 N ATOM 986 CA VAL A 66 -3.518 14.656 1.688 1.00 22.15 C ATOM 987 C VAL A 66 -3.379 14.983 3.182 1.00 42.13 C ATOM 988 O VAL A 66 -2.460 15.691 3.601 1.00 41.00 O ATOM 989 CB VAL A 66 -2.927 13.300 1.250 1.00 45.33 C ATOM 990 CG1 VAL A 66 -3.203 12.140 2.207 1.00 51.01 C ATOM 991 CG2 VAL A 66 -3.510 12.931 -0.121 1.00 12.12 C ATOM 0 H VAL A 66 -2.073 15.331 0.359 1.00 13.03 H new ATOM 0 HA VAL A 66 -4.594 14.608 1.523 1.00 22.15 H new ATOM 0 HB VAL A 66 -1.846 13.438 1.231 1.00 45.33 H new ATOM 0 HG11 VAL A 66 -2.749 11.230 1.816 1.00 51.01 H new ATOM 0 HG12 VAL A 66 -2.778 12.366 3.185 1.00 51.01 H new ATOM 0 HG13 VAL A 66 -4.279 11.996 2.304 1.00 51.01 H new ATOM 0 HG21 VAL A 66 -3.101 11.974 -0.444 1.00 12.12 H new ATOM 0 HG22 VAL A 66 -4.595 12.856 -0.047 1.00 12.12 H new ATOM 0 HG23 VAL A 66 -3.248 13.701 -0.847 1.00 12.12 H new ATOM 1001 N GLN A 67 -4.320 14.482 3.990 1.00 54.24 N ATOM 1002 CA GLN A 67 -4.335 14.741 5.422 1.00 13.21 C ATOM 1003 C GLN A 67 -3.264 13.910 6.123 1.00 65.20 C ATOM 1004 O GLN A 67 -2.315 14.464 6.674 1.00 30.15 O ATOM 1005 CB GLN A 67 -5.745 14.525 5.997 1.00 74.40 C ATOM 1006 CG GLN A 67 -6.046 15.528 7.119 1.00 42.02 C ATOM 1007 CD GLN A 67 -5.403 15.176 8.459 1.00 72.12 C ATOM 1008 OE1 GLN A 67 -6.009 14.487 9.285 1.00 45.03 O ATOM 1009 NE2 GLN A 67 -4.202 15.661 8.710 1.00 11.31 N ATOM 0 H GLN A 67 -5.085 13.890 3.666 1.00 54.24 H new ATOM 0 HA GLN A 67 -4.087 15.787 5.605 1.00 13.21 H new ATOM 0 HB2 GLN A 67 -6.484 14.630 5.203 1.00 74.40 H new ATOM 0 HB3 GLN A 67 -5.832 13.509 6.381 1.00 74.40 H new ATOM 0 HG2 GLN A 67 -5.702 16.515 6.811 1.00 42.02 H new ATOM 0 HG3 GLN A 67 -7.126 15.594 7.253 1.00 42.02 H new ATOM 0 HE21 GLN A 67 -3.724 16.227 8.009 1.00 11.31 H new ATOM 0 HE22 GLN A 67 -3.751 15.470 9.605 1.00 11.31 H new ATOM 1018 N ASN A 68 -3.389 12.582 6.078 1.00 22.15 N ATOM 1019 CA ASN A 68 -2.300 11.689 6.441 1.00 32.52 C ATOM 1020 C ASN A 68 -2.119 10.747 5.295 1.00 52.40 C ATOM 1021 O ASN A 68 -3.094 10.155 4.824 1.00 22.52 O ATOM 1022 CB ASN A 68 -2.574 10.828 7.672 1.00 41.34 C ATOM 1023 CG ASN A 68 -2.468 11.627 8.936 1.00 4.11 C ATOM 1024 OD1 ASN A 68 -1.388 11.776 9.501 1.00 43.32 O ATOM 1025 ND2 ASN A 68 -3.590 12.108 9.422 1.00 1.21 N ATOM 0 H ASN A 68 -4.243 12.104 5.791 1.00 22.15 H new ATOM 0 HA ASN A 68 -1.434 12.311 6.667 1.00 32.52 H new ATOM 0 HB2 ASN A 68 -3.570 10.392 7.598 1.00 41.34 H new ATOM 0 HB3 ASN A 68 -1.866 10.000 7.703 1.00 41.34 H new ATOM 0 HD21 ASN A 68 -3.584 12.627 10.300 1.00 1.21 H new ATOM 0 HD22 ASN A 68 -4.467 11.962 8.921 1.00 1.21 H new ATOM 1032 N LYS A 69 -0.868 10.538 4.913 1.00 32.35 N ATOM 1033 CA LYS A 69 -0.560 9.521 3.929 1.00 13.25 C ATOM 1034 C LYS A 69 -1.011 8.133 4.410 1.00 43.42 C ATOM 1035 O LYS A 69 -1.382 7.297 3.584 1.00 23.21 O ATOM 1036 CB LYS A 69 0.938 9.590 3.608 1.00 24.54 C ATOM 1037 CG LYS A 69 1.429 10.953 3.071 1.00 31.43 C ATOM 1038 CD LYS A 69 0.548 11.499 1.937 1.00 61.22 C ATOM 1039 CE LYS A 69 1.289 12.382 0.935 1.00 45.43 C ATOM 1040 NZ LYS A 69 1.695 13.705 1.436 1.00 11.21 N ATOM 0 H LYS A 69 -0.062 11.053 5.266 1.00 32.35 H new ATOM 0 HA LYS A 69 -1.113 9.704 3.008 1.00 13.25 H new ATOM 0 HB2 LYS A 69 1.499 9.349 4.511 1.00 24.54 H new ATOM 0 HB3 LYS A 69 1.172 8.821 2.872 1.00 24.54 H new ATOM 0 HG2 LYS A 69 1.450 11.674 3.888 1.00 31.43 H new ATOM 0 HG3 LYS A 69 2.453 10.849 2.712 1.00 31.43 H new ATOM 0 HD2 LYS A 69 0.102 10.660 1.403 1.00 61.22 H new ATOM 0 HD3 LYS A 69 -0.271 12.072 2.372 1.00 61.22 H new ATOM 0 HE2 LYS A 69 2.180 11.851 0.598 1.00 45.43 H new ATOM 0 HE3 LYS A 69 0.653 12.523 0.061 1.00 45.43 H new ATOM 0 HZ1 LYS A 69 1.237 14.447 0.869 1.00 11.21 H new ATOM 0 HZ2 LYS A 69 1.408 13.803 2.431 1.00 11.21 H new ATOM 0 HZ3 LYS A 69 2.728 13.802 1.363 1.00 11.21 H new ATOM 1054 N SER A 70 -1.070 7.905 5.724 1.00 14.33 N ATOM 1055 CA SER A 70 -1.541 6.661 6.299 1.00 23.13 C ATOM 1056 C SER A 70 -3.050 6.545 6.148 1.00 65.52 C ATOM 1057 O SER A 70 -3.541 5.547 5.620 1.00 70.44 O ATOM 1058 CB SER A 70 -1.114 6.540 7.762 1.00 52.02 C ATOM 1059 OG SER A 70 -1.725 7.440 8.668 1.00 44.34 O ATOM 0 H SER A 70 -0.786 8.594 6.421 1.00 14.33 H new ATOM 0 HA SER A 70 -1.084 5.833 5.756 1.00 23.13 H new ATOM 0 HB2 SER A 70 -1.322 5.524 8.096 1.00 52.02 H new ATOM 0 HB3 SER A 70 -0.034 6.679 7.816 1.00 52.02 H new ATOM 0 HG SER A 70 -1.705 7.059 9.571 1.00 44.34 H new ATOM 1065 N ALA A 71 -3.781 7.571 6.601 1.00 13.15 N ATOM 1066 CA ALA A 71 -5.238 7.595 6.531 1.00 64.13 C ATOM 1067 C ALA A 71 -5.733 7.348 5.105 1.00 33.55 C ATOM 1068 O ALA A 71 -6.703 6.615 4.920 1.00 64.20 O ATOM 1069 CB ALA A 71 -5.802 8.910 7.077 1.00 42.11 C ATOM 0 H ALA A 71 -3.375 8.405 7.025 1.00 13.15 H new ATOM 0 HA ALA A 71 -5.604 6.784 7.160 1.00 64.13 H new ATOM 0 HB1 ALA A 71 -6.890 8.895 7.010 1.00 42.11 H new ATOM 0 HB2 ALA A 71 -5.504 9.029 8.119 1.00 42.11 H new ATOM 0 HB3 ALA A 71 -5.414 9.743 6.491 1.00 42.11 H new ATOM 1075 N PHE A 72 -5.043 7.905 4.106 1.00 22.41 N ATOM 1076 CA PHE A 72 -5.404 7.749 2.703 1.00 10.04 C ATOM 1077 C PHE A 72 -5.373 6.271 2.330 1.00 62.50 C ATOM 1078 O PHE A 72 -6.334 5.718 1.791 1.00 24.11 O ATOM 1079 CB PHE A 72 -4.423 8.554 1.840 1.00 54.40 C ATOM 1080 CG PHE A 72 -4.793 8.603 0.371 1.00 1.23 C ATOM 1081 CD1 PHE A 72 -4.569 7.493 -0.468 1.00 61.34 C ATOM 1082 CD2 PHE A 72 -5.387 9.764 -0.154 1.00 65.41 C ATOM 1083 CE1 PHE A 72 -4.967 7.531 -1.815 1.00 52.20 C ATOM 1084 CE2 PHE A 72 -5.779 9.804 -1.499 1.00 2.15 C ATOM 1085 CZ PHE A 72 -5.586 8.686 -2.319 1.00 22.43 C ATOM 0 H PHE A 72 -4.213 8.480 4.254 1.00 22.41 H new ATOM 0 HA PHE A 72 -6.413 8.124 2.530 1.00 10.04 H new ATOM 0 HB2 PHE A 72 -4.368 9.572 2.225 1.00 54.40 H new ATOM 0 HB3 PHE A 72 -3.428 8.121 1.939 1.00 54.40 H new ATOM 0 HD1 PHE A 72 -4.089 6.609 -0.074 1.00 61.34 H new ATOM 0 HD2 PHE A 72 -5.541 10.625 0.479 1.00 65.41 H new ATOM 0 HE1 PHE A 72 -4.798 6.679 -2.457 1.00 52.20 H new ATOM 0 HE2 PHE A 72 -6.230 10.698 -1.903 1.00 2.15 H new ATOM 0 HZ PHE A 72 -5.916 8.712 -3.347 1.00 22.43 H new ATOM 1095 N LEU A 73 -4.249 5.620 2.642 1.00 53.14 N ATOM 1096 CA LEU A 73 -4.007 4.231 2.293 1.00 14.11 C ATOM 1097 C LEU A 73 -5.052 3.363 2.987 1.00 73.32 C ATOM 1098 O LEU A 73 -5.741 2.562 2.353 1.00 22.45 O ATOM 1099 CB LEU A 73 -2.576 3.851 2.711 1.00 51.42 C ATOM 1100 CG LEU A 73 -2.211 2.413 2.308 1.00 10.41 C ATOM 1101 CD1 LEU A 73 -1.933 2.305 0.810 1.00 45.44 C ATOM 1102 CD2 LEU A 73 -0.972 1.938 3.055 1.00 65.22 C ATOM 0 H LEU A 73 -3.478 6.054 3.149 1.00 53.14 H new ATOM 0 HA LEU A 73 -4.094 4.075 1.218 1.00 14.11 H new ATOM 0 HB2 LEU A 73 -1.870 4.544 2.253 1.00 51.42 H new ATOM 0 HB3 LEU A 73 -2.475 3.960 3.791 1.00 51.42 H new ATOM 0 HG LEU A 73 -3.067 1.789 2.565 1.00 10.41 H new ATOM 0 HD11 LEU A 73 -1.678 1.275 0.561 1.00 45.44 H new ATOM 0 HD12 LEU A 73 -2.821 2.604 0.253 1.00 45.44 H new ATOM 0 HD13 LEU A 73 -1.101 2.958 0.546 1.00 45.44 H new ATOM 0 HD21 LEU A 73 -0.734 0.918 2.753 1.00 65.22 H new ATOM 0 HD22 LEU A 73 -0.132 2.592 2.819 1.00 65.22 H new ATOM 0 HD23 LEU A 73 -1.162 1.964 4.128 1.00 65.22 H new ATOM 1114 N CYS A 74 -5.182 3.543 4.298 1.00 3.02 N ATOM 1115 CA CYS A 74 -6.119 2.803 5.134 1.00 62.24 C ATOM 1116 C CYS A 74 -7.568 2.973 4.642 1.00 25.21 C ATOM 1117 O CYS A 74 -8.386 2.070 4.829 1.00 31.12 O ATOM 1118 CB CYS A 74 -5.942 3.278 6.584 1.00 12.05 C ATOM 1119 SG CYS A 74 -6.734 2.140 7.755 1.00 1.44 S ATOM 0 H CYS A 74 -4.627 4.222 4.819 1.00 3.02 H new ATOM 0 HA CYS A 74 -5.908 1.735 5.075 1.00 62.24 H new ATOM 0 HB2 CYS A 74 -4.880 3.359 6.815 1.00 12.05 H new ATOM 0 HB3 CYS A 74 -6.370 4.274 6.697 1.00 12.05 H new ATOM 0 HG CYS A 74 -7.314 2.822 8.697 1.00 1.44 H new ATOM 1125 N GLY A 75 -7.899 4.095 3.998 1.00 12.44 N ATOM 1126 CA GLY A 75 -9.214 4.320 3.415 1.00 30.12 C ATOM 1127 C GLY A 75 -9.461 3.384 2.235 1.00 21.33 C ATOM 1128 O GLY A 75 -10.491 2.709 2.192 1.00 21.42 O ATOM 0 H GLY A 75 -7.254 4.875 3.868 1.00 12.44 H new ATOM 0 HA2 GLY A 75 -9.982 4.165 4.173 1.00 30.12 H new ATOM 0 HA3 GLY A 75 -9.296 5.356 3.085 1.00 30.12 H new ATOM 1132 N VAL A 76 -8.516 3.304 1.294 1.00 32.32 N ATOM 1133 CA VAL A 76 -8.662 2.494 0.082 1.00 1.41 C ATOM 1134 C VAL A 76 -8.817 1.005 0.423 1.00 31.43 C ATOM 1135 O VAL A 76 -9.637 0.320 -0.188 1.00 74.13 O ATOM 1136 CB VAL A 76 -7.502 2.788 -0.892 1.00 61.42 C ATOM 1137 CG1 VAL A 76 -7.554 1.893 -2.141 1.00 33.31 C ATOM 1138 CG2 VAL A 76 -7.486 4.250 -1.364 1.00 64.12 C ATOM 0 H VAL A 76 -7.627 3.800 1.352 1.00 32.32 H new ATOM 0 HA VAL A 76 -9.583 2.772 -0.431 1.00 1.41 H new ATOM 0 HB VAL A 76 -6.597 2.579 -0.322 1.00 61.42 H new ATOM 0 HG11 VAL A 76 -6.718 2.136 -2.798 1.00 33.31 H new ATOM 0 HG12 VAL A 76 -7.489 0.847 -1.842 1.00 33.31 H new ATOM 0 HG13 VAL A 76 -8.492 2.061 -2.670 1.00 33.31 H new ATOM 0 HG21 VAL A 76 -6.650 4.403 -2.047 1.00 64.12 H new ATOM 0 HG22 VAL A 76 -8.420 4.477 -1.877 1.00 64.12 H new ATOM 0 HG23 VAL A 76 -7.376 4.909 -0.503 1.00 64.12 H new ATOM 1148 N MET A 77 -8.107 0.491 1.437 1.00 64.20 N ATOM 1149 CA MET A 77 -8.265 -0.908 1.853 1.00 32.34 C ATOM 1150 C MET A 77 -9.727 -1.224 2.179 1.00 3.12 C ATOM 1151 O MET A 77 -10.266 -2.235 1.731 1.00 22.35 O ATOM 1152 CB MET A 77 -7.393 -1.229 3.073 1.00 30.52 C ATOM 1153 CG MET A 77 -5.909 -1.200 2.735 1.00 62.52 C ATOM 1154 SD MET A 77 -4.829 -1.890 4.007 1.00 24.53 S ATOM 1155 CE MET A 77 -3.228 -1.380 3.341 1.00 50.34 C ATOM 0 H MET A 77 -7.423 1.019 1.980 1.00 64.20 H new ATOM 0 HA MET A 77 -7.943 -1.528 1.016 1.00 32.34 H new ATOM 0 HB2 MET A 77 -7.599 -0.509 3.865 1.00 30.52 H new ATOM 0 HB3 MET A 77 -7.658 -2.213 3.459 1.00 30.52 H new ATOM 0 HG2 MET A 77 -5.751 -1.750 1.807 1.00 62.52 H new ATOM 0 HG3 MET A 77 -5.613 -0.168 2.548 1.00 62.52 H new ATOM 0 HE1 MET A 77 -2.432 -1.738 3.993 1.00 50.34 H new ATOM 0 HE2 MET A 77 -3.098 -1.801 2.344 1.00 50.34 H new ATOM 0 HE3 MET A 77 -3.188 -0.292 3.283 1.00 50.34 H new ATOM 1165 N LYS A 78 -10.381 -0.329 2.918 1.00 13.15 N ATOM 1166 CA LYS A 78 -11.740 -0.515 3.410 1.00 73.41 C ATOM 1167 C LYS A 78 -12.711 -0.737 2.248 1.00 64.34 C ATOM 1168 O LYS A 78 -13.461 -1.710 2.235 1.00 31.55 O ATOM 1169 CB LYS A 78 -12.112 0.676 4.322 1.00 34.31 C ATOM 1170 CG LYS A 78 -12.233 0.290 5.804 1.00 65.51 C ATOM 1171 CD LYS A 78 -10.902 -0.211 6.376 1.00 64.33 C ATOM 1172 CE LYS A 78 -10.934 -0.240 7.906 1.00 32.53 C ATOM 1173 NZ LYS A 78 -9.594 -0.010 8.474 1.00 1.41 N ATOM 0 H LYS A 78 -9.970 0.563 3.195 1.00 13.15 H new ATOM 0 HA LYS A 78 -11.809 -1.418 4.017 1.00 73.41 H new ATOM 0 HB2 LYS A 78 -11.357 1.455 4.217 1.00 34.31 H new ATOM 0 HB3 LYS A 78 -13.058 1.101 3.986 1.00 34.31 H new ATOM 0 HG2 LYS A 78 -12.572 1.153 6.377 1.00 65.51 H new ATOM 0 HG3 LYS A 78 -12.991 -0.485 5.916 1.00 65.51 H new ATOM 0 HD2 LYS A 78 -10.692 -1.210 5.995 1.00 64.33 H new ATOM 0 HD3 LYS A 78 -10.092 0.435 6.039 1.00 64.33 H new ATOM 0 HE2 LYS A 78 -11.622 0.522 8.272 1.00 32.53 H new ATOM 0 HE3 LYS A 78 -11.315 -1.203 8.246 1.00 32.53 H new ATOM 0 HZ1 LYS A 78 -9.683 0.267 9.473 1.00 1.41 H new ATOM 0 HZ2 LYS A 78 -9.033 -0.883 8.405 1.00 1.41 H new ATOM 0 HZ3 LYS A 78 -9.119 0.749 7.946 1.00 1.41 H new ATOM 1187 N THR A 79 -12.687 0.128 1.238 1.00 11.25 N ATOM 1188 CA THR A 79 -13.550 -0.011 0.073 1.00 63.54 C ATOM 1189 C THR A 79 -13.149 -1.230 -0.770 1.00 22.54 C ATOM 1190 O THR A 79 -14.045 -1.923 -1.224 1.00 30.31 O ATOM 1191 CB THR A 79 -13.615 1.323 -0.698 1.00 2.35 C ATOM 1192 OG1 THR A 79 -14.391 1.254 -1.881 1.00 61.32 O ATOM 1193 CG2 THR A 79 -12.233 1.855 -1.068 1.00 44.33 C ATOM 0 H THR A 79 -12.071 0.941 1.205 1.00 11.25 H new ATOM 0 HA THR A 79 -14.573 -0.221 0.387 1.00 63.54 H new ATOM 0 HB THR A 79 -14.098 2.006 0.000 1.00 2.35 H new ATOM 0 HG1 THR A 79 -14.394 2.129 -2.322 1.00 61.32 H new ATOM 0 HG21 THR A 79 -12.338 2.795 -1.609 1.00 44.33 H new ATOM 0 HG22 THR A 79 -11.652 2.021 -0.161 1.00 44.33 H new ATOM 0 HG23 THR A 79 -11.721 1.129 -1.699 1.00 44.33 H new ATOM 1201 N TYR A 80 -11.872 -1.599 -0.930 1.00 51.14 N ATOM 1202 CA TYR A 80 -11.558 -2.849 -1.639 1.00 63.20 C ATOM 1203 C TYR A 80 -12.057 -4.098 -0.894 1.00 10.11 C ATOM 1204 O TYR A 80 -12.386 -5.108 -1.524 1.00 61.42 O ATOM 1205 CB TYR A 80 -10.052 -2.986 -1.858 1.00 33.25 C ATOM 1206 CG TYR A 80 -9.586 -2.419 -3.172 1.00 62.23 C ATOM 1207 CD1 TYR A 80 -9.789 -3.154 -4.354 1.00 22.14 C ATOM 1208 CD2 TYR A 80 -8.926 -1.183 -3.212 1.00 2.43 C ATOM 1209 CE1 TYR A 80 -9.286 -2.675 -5.572 1.00 5.32 C ATOM 1210 CE2 TYR A 80 -8.397 -0.709 -4.423 1.00 41.40 C ATOM 1211 CZ TYR A 80 -8.561 -1.466 -5.604 1.00 24.25 C ATOM 1212 OH TYR A 80 -7.974 -1.059 -6.759 1.00 41.12 O ATOM 0 H TYR A 80 -11.065 -1.074 -0.593 1.00 51.14 H new ATOM 0 HA TYR A 80 -12.078 -2.788 -2.595 1.00 63.20 H new ATOM 0 HB2 TYR A 80 -9.527 -2.482 -1.046 1.00 33.25 H new ATOM 0 HB3 TYR A 80 -9.779 -4.040 -1.808 1.00 33.25 H new ATOM 0 HD1 TYR A 80 -10.332 -4.087 -4.323 1.00 22.14 H new ATOM 0 HD2 TYR A 80 -8.824 -0.595 -2.311 1.00 2.43 H new ATOM 0 HE1 TYR A 80 -9.453 -3.230 -6.483 1.00 5.32 H new ATOM 0 HE2 TYR A 80 -7.866 0.231 -4.451 1.00 41.40 H new ATOM 0 HH TYR A 80 -7.042 -0.812 -6.583 1.00 41.12 H new ATOM 1222 N ARG A 81 -12.106 -4.069 0.443 1.00 13.21 N ATOM 1223 CA ARG A 81 -12.717 -5.144 1.226 1.00 5.13 C ATOM 1224 C ARG A 81 -14.231 -5.168 1.046 1.00 22.55 C ATOM 1225 O ARG A 81 -14.822 -6.239 1.194 1.00 5.13 O ATOM 1226 CB ARG A 81 -12.363 -4.997 2.721 1.00 70.53 C ATOM 1227 CG ARG A 81 -11.206 -5.906 3.164 1.00 4.41 C ATOM 1228 CD ARG A 81 -11.554 -7.402 3.138 1.00 71.11 C ATOM 1229 NE ARG A 81 -12.586 -7.762 4.128 1.00 73.50 N ATOM 1230 CZ ARG A 81 -12.380 -8.323 5.327 1.00 51.01 C ATOM 1231 NH1 ARG A 81 -11.152 -8.522 5.789 1.00 42.13 N ATOM 1232 NH2 ARG A 81 -13.407 -8.691 6.084 1.00 3.05 N ATOM 0 H ARG A 81 -11.727 -3.307 1.006 1.00 13.21 H new ATOM 0 HA ARG A 81 -12.315 -6.089 0.860 1.00 5.13 H new ATOM 0 HB2 ARG A 81 -12.099 -3.959 2.924 1.00 70.53 H new ATOM 0 HB3 ARG A 81 -13.245 -5.225 3.320 1.00 70.53 H new ATOM 0 HG2 ARG A 81 -10.348 -5.730 2.515 1.00 4.41 H new ATOM 0 HG3 ARG A 81 -10.904 -5.629 4.174 1.00 4.41 H new ATOM 0 HD2 ARG A 81 -11.902 -7.673 2.141 1.00 71.11 H new ATOM 0 HD3 ARG A 81 -10.653 -7.984 3.330 1.00 71.11 H new ATOM 0 HE ARG A 81 -13.554 -7.564 3.874 1.00 73.50 H new ATOM 0 HH11 ARG A 81 -10.345 -8.246 5.229 1.00 42.13 H new ATOM 0 HH12 ARG A 81 -11.015 -8.951 6.704 1.00 42.13 H new ATOM 0 HH21 ARG A 81 -14.361 -8.547 5.754 1.00 3.05 H new ATOM 0 HH22 ARG A 81 -13.242 -9.117 6.996 1.00 3.05 H new ATOM 1246 N GLN A 82 -14.854 -4.025 0.760 1.00 23.31 N ATOM 1247 CA GLN A 82 -16.283 -3.851 0.620 1.00 22.52 C ATOM 1248 C GLN A 82 -16.595 -2.882 -0.524 1.00 63.43 C ATOM 1249 O GLN A 82 -16.843 -1.685 -0.308 1.00 61.40 O ATOM 1250 CB GLN A 82 -16.833 -3.343 1.958 1.00 12.34 C ATOM 1251 CG GLN A 82 -17.197 -4.463 2.941 1.00 31.23 C ATOM 1252 CD GLN A 82 -18.204 -5.467 2.369 1.00 4.33 C ATOM 1253 OE1 GLN A 82 -17.853 -6.609 2.088 1.00 13.31 O ATOM 1254 NE2 GLN A 82 -19.447 -5.089 2.133 1.00 51.00 N ATOM 0 H GLN A 82 -14.341 -3.156 0.614 1.00 23.31 H new ATOM 0 HA GLN A 82 -16.761 -4.798 0.370 1.00 22.52 H new ATOM 0 HB2 GLN A 82 -16.092 -2.692 2.421 1.00 12.34 H new ATOM 0 HB3 GLN A 82 -17.718 -2.735 1.770 1.00 12.34 H new ATOM 0 HG2 GLN A 82 -16.289 -4.993 3.229 1.00 31.23 H new ATOM 0 HG3 GLN A 82 -17.610 -4.021 3.848 1.00 31.23 H new ATOM 0 HE21 GLN A 82 -19.744 -4.141 2.364 1.00 51.00 H new ATOM 0 HE22 GLN A 82 -20.110 -5.745 1.719 1.00 51.00 H new ATOM 1263 N ARG A 83 -16.586 -3.397 -1.754 1.00 2.31 N ATOM 1264 CA ARG A 83 -17.059 -2.743 -2.956 1.00 4.24 C ATOM 1265 C ARG A 83 -17.935 -3.775 -3.658 1.00 31.25 C ATOM 1266 O ARG A 83 -17.534 -4.468 -4.592 1.00 64.42 O ATOM 1267 CB ARG A 83 -15.863 -2.179 -3.755 1.00 61.14 C ATOM 1268 CG ARG A 83 -16.222 -1.962 -5.223 1.00 33.42 C ATOM 1269 CD ARG A 83 -15.433 -0.893 -5.961 1.00 65.04 C ATOM 1270 NE ARG A 83 -16.080 -0.618 -7.257 1.00 4.41 N ATOM 1271 CZ ARG A 83 -15.541 0.013 -8.303 1.00 22.12 C ATOM 1272 NH1 ARG A 83 -14.290 0.438 -8.259 1.00 42.53 N ATOM 1273 NH2 ARG A 83 -16.283 0.236 -9.377 1.00 12.13 N ATOM 0 H ARG A 83 -16.227 -4.334 -1.939 1.00 2.31 H new ATOM 0 HA ARG A 83 -17.670 -1.857 -2.785 1.00 4.24 H new ATOM 0 HB2 ARG A 83 -15.543 -1.235 -3.314 1.00 61.14 H new ATOM 0 HB3 ARG A 83 -15.020 -2.866 -3.683 1.00 61.14 H new ATOM 0 HG2 ARG A 83 -16.092 -2.907 -5.750 1.00 33.42 H new ATOM 0 HG3 ARG A 83 -17.280 -1.707 -5.282 1.00 33.42 H new ATOM 0 HD2 ARG A 83 -15.386 0.018 -5.364 1.00 65.04 H new ATOM 0 HD3 ARG A 83 -14.407 -1.225 -6.117 1.00 65.04 H new ATOM 0 HE ARG A 83 -17.040 -0.944 -7.366 1.00 4.41 H new ATOM 0 HH11 ARG A 83 -13.728 0.285 -7.421 1.00 42.53 H new ATOM 0 HH12 ARG A 83 -13.886 0.919 -9.063 1.00 42.53 H new ATOM 0 HH21 ARG A 83 -17.255 -0.073 -9.399 1.00 12.13 H new ATOM 0 HH22 ARG A 83 -15.883 0.717 -10.182 1.00 12.13 H new ATOM 1287 N GLU A 84 -19.172 -3.864 -3.209 1.00 53.21 N ATOM 1288 CA GLU A 84 -20.218 -4.701 -3.761 1.00 34.03 C ATOM 1289 C GLU A 84 -21.497 -3.879 -3.928 1.00 50.54 C ATOM 1290 O GLU A 84 -21.583 -2.754 -3.420 1.00 63.41 O ATOM 1291 CB GLU A 84 -20.443 -5.912 -2.845 1.00 70.50 C ATOM 1292 CG GLU A 84 -20.987 -5.570 -1.446 1.00 73.31 C ATOM 1293 CD GLU A 84 -21.357 -6.836 -0.673 1.00 14.12 C ATOM 1294 OE1 GLU A 84 -22.179 -7.640 -1.173 1.00 32.52 O ATOM 1295 OE2 GLU A 84 -20.762 -7.055 0.409 1.00 14.45 O ATOM 0 H GLU A 84 -19.491 -3.324 -2.405 1.00 53.21 H new ATOM 0 HA GLU A 84 -19.923 -5.070 -4.743 1.00 34.03 H new ATOM 0 HB2 GLU A 84 -21.138 -6.595 -3.333 1.00 70.50 H new ATOM 0 HB3 GLU A 84 -19.499 -6.445 -2.732 1.00 70.50 H new ATOM 0 HG2 GLU A 84 -20.238 -5.006 -0.889 1.00 73.31 H new ATOM 0 HG3 GLU A 84 -21.863 -4.929 -1.540 1.00 73.31 H new ATOM 1302 N LYS A 85 -22.486 -4.499 -4.574 1.00 65.01 N ATOM 1303 CA LYS A 85 -23.787 -3.982 -4.967 1.00 52.41 C ATOM 1304 C LYS A 85 -23.644 -3.070 -6.164 1.00 73.31 C ATOM 1305 O LYS A 85 -24.162 -3.497 -7.217 1.00 61.41 O ATOM 1306 CB LYS A 85 -24.597 -3.374 -3.807 1.00 3.14 C ATOM 1307 CG LYS A 85 -24.939 -4.353 -2.667 1.00 50.12 C ATOM 1308 CD LYS A 85 -25.829 -5.524 -3.114 1.00 65.41 C ATOM 1309 CE LYS A 85 -25.003 -6.722 -3.605 1.00 22.11 C ATOM 1310 NZ LYS A 85 -25.791 -7.623 -4.469 1.00 71.03 N ATOM 0 H LYS A 85 -22.379 -5.472 -4.861 1.00 65.01 H new ATOM 0 HA LYS A 85 -24.399 -4.831 -5.273 1.00 52.41 H new ATOM 0 HB2 LYS A 85 -24.035 -2.538 -3.391 1.00 3.14 H new ATOM 0 HB3 LYS A 85 -25.526 -2.967 -4.207 1.00 3.14 H new ATOM 0 HG2 LYS A 85 -24.014 -4.749 -2.248 1.00 50.12 H new ATOM 0 HG3 LYS A 85 -25.443 -3.808 -1.869 1.00 50.12 H new ATOM 0 HD2 LYS A 85 -26.461 -5.836 -2.283 1.00 65.41 H new ATOM 0 HD3 LYS A 85 -26.493 -5.190 -3.912 1.00 65.41 H new ATOM 0 HE2 LYS A 85 -24.134 -6.361 -4.155 1.00 22.11 H new ATOM 0 HE3 LYS A 85 -24.628 -7.280 -2.747 1.00 22.11 H new ATOM 0 HZ1 LYS A 85 -25.195 -8.417 -4.778 1.00 71.03 H new ATOM 0 HZ2 LYS A 85 -26.607 -7.988 -3.937 1.00 71.03 H new ATOM 0 HZ3 LYS A 85 -26.127 -7.099 -5.302 1.00 71.03 H new TER 1324 LYS A 85