USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 798 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 37 ASN : amide:sc= 0.272 K(o=0.81,f=-10!) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -137:sc= 0.537 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.102 X(o=1.3,f=1) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.05) USER MOD Set 3.1: A 10 GLN : amide:sc= 0 X(o=0.017,f=0.017) USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0365 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 37:sc= 0.00251 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.116 (180deg=-0.665) USER MOD Single : A 25 SER OG : rot -70:sc= 0.809 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 130:sc= 0.0439 USER MOD Single : A 36 ASN : amide:sc= 1.15 K(o=1.2,f=-0.021) USER MOD Single : A 38 MET CE :methyl -164:sc= -0.0978 (180deg=-0.499) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -31:sc= 0.557 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.153 F(o=-1.6!,f=-0.15) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1) USER MOD Single : A 65 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.0059) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 67 GLN : amide:sc= 0.751 K(o=0.75,f=-0.034) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.4) USER MOD Single : A 71 LYS NZ :NH3+ -138:sc= -0.122 (180deg=-0.653) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 76 SER OG : rot 43:sc= 0.0143 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -0.322 X(o=-0.32,f=-0.45) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-4.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -160:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.615 -1.003 -0.832 1.00 39.32 N ATOM 2 CA GLY A 1 -36.308 -1.303 -1.475 1.00 39.39 C ATOM 3 C GLY A 1 -36.279 -0.862 -2.925 1.00 39.02 C ATOM 4 O GLY A 1 -37.316 -0.836 -3.579 1.00 38.60 O ATOM 0 H1 GLY A 1 -37.528 -0.144 -0.253 1.00 39.32 H new ATOM 0 H2 GLY A 1 -38.337 -0.854 -1.566 1.00 39.32 H new ATOM 0 H3 GLY A 1 -37.896 -1.801 -0.227 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -35.510 -0.802 -0.927 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -36.112 -2.374 -1.417 1.00 39.39 H new ATOM 10 N PRO A 2 -35.101 -0.509 -3.464 1.00 39.23 N ATOM 11 CA PRO A 2 -34.982 0.037 -4.820 1.00 38.99 C ATOM 12 C PRO A 2 -34.919 -1.039 -5.905 1.00 38.70 C ATOM 13 O PRO A 2 -34.573 -0.757 -7.049 1.00 39.16 O ATOM 14 CB PRO A 2 -33.666 0.810 -4.745 1.00 39.44 C ATOM 15 CG PRO A 2 -32.836 0.051 -3.764 1.00 39.88 C ATOM 16 CD PRO A 2 -33.790 -0.601 -2.794 1.00 39.77 C ATOM 0 HA PRO A 2 -35.848 0.638 -5.099 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -33.180 0.860 -5.719 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -33.828 1.837 -4.416 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -32.228 -0.699 -4.271 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -32.150 0.717 -3.242 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -33.514 -1.637 -2.599 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -33.796 -0.086 -1.833 1.00 39.77 H new ATOM 24 N LEU A 3 -35.272 -2.264 -5.544 1.00 37.99 N ATOM 25 CA LEU A 3 -35.232 -3.376 -6.483 1.00 37.71 C ATOM 26 C LEU A 3 -36.114 -4.509 -5.987 1.00 36.95 C ATOM 27 O LEU A 3 -37.016 -4.963 -6.686 1.00 36.88 O ATOM 28 CB LEU A 3 -33.793 -3.875 -6.662 1.00 37.68 C ATOM 29 CG LEU A 3 -33.606 -4.981 -7.701 1.00 38.25 C ATOM 30 CD1 LEU A 3 -34.001 -4.479 -9.083 1.00 38.55 C ATOM 31 CD2 LEU A 3 -32.166 -5.469 -7.699 1.00 38.67 C ATOM 0 H LEU A 3 -35.589 -2.513 -4.607 1.00 37.99 H new ATOM 0 HA LEU A 3 -35.604 -3.029 -7.447 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -33.165 -3.029 -6.940 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -33.430 -4.238 -5.700 1.00 37.68 H new ATOM 0 HG LEU A 3 -34.253 -5.819 -7.441 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -33.863 -5.277 -9.813 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -35.047 -4.173 -9.074 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -33.376 -3.628 -9.353 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -32.048 -6.256 -8.444 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -31.500 -4.640 -7.939 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -31.916 -5.861 -6.713 1.00 38.67 H new ATOM 43 N GLY A 4 -35.845 -4.954 -4.774 1.00 36.42 N ATOM 44 CA GLY A 4 -36.609 -6.037 -4.196 1.00 35.70 C ATOM 45 C GLY A 4 -35.821 -6.744 -3.121 1.00 35.18 C ATOM 46 O GLY A 4 -36.375 -7.149 -2.104 1.00 34.80 O ATOM 0 H GLY A 4 -35.107 -4.583 -4.175 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -37.536 -5.648 -3.775 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -36.886 -6.747 -4.975 1.00 35.70 H new ATOM 50 N SER A 5 -34.517 -6.868 -3.365 1.00 35.22 N ATOM 51 CA SER A 5 -33.580 -7.486 -2.428 1.00 34.83 C ATOM 52 C SER A 5 -33.825 -8.992 -2.318 1.00 34.57 C ATOM 53 O SER A 5 -33.109 -9.786 -2.927 1.00 34.37 O ATOM 54 CB SER A 5 -33.661 -6.815 -1.049 1.00 34.91 C ATOM 55 OG SER A 5 -32.652 -7.293 -0.183 1.00 35.05 O ATOM 0 H SER A 5 -34.078 -6.540 -4.225 1.00 35.22 H new ATOM 0 HA SER A 5 -32.572 -7.339 -2.816 1.00 34.83 H new ATOM 0 HB2 SER A 5 -33.564 -5.735 -1.162 1.00 34.91 H new ATOM 0 HB3 SER A 5 -34.640 -7.003 -0.608 1.00 34.91 H new ATOM 0 HG SER A 5 -32.728 -6.846 0.686 1.00 35.05 H new ATOM 61 N THR A 6 -34.839 -9.376 -1.560 1.00 34.64 N ATOM 62 CA THR A 6 -35.173 -10.775 -1.381 1.00 34.51 C ATOM 63 C THR A 6 -36.406 -11.139 -2.196 1.00 33.81 C ATOM 64 O THR A 6 -37.409 -10.418 -2.181 1.00 33.44 O ATOM 65 CB THR A 6 -35.402 -11.106 0.106 1.00 34.85 C ATOM 66 OG1 THR A 6 -36.259 -10.122 0.703 1.00 35.00 O ATOM 67 CG2 THR A 6 -34.076 -11.153 0.854 1.00 35.32 C ATOM 0 H THR A 6 -35.448 -8.731 -1.056 1.00 34.64 H new ATOM 0 HA THR A 6 -34.329 -11.367 -1.736 1.00 34.51 H new ATOM 0 HB THR A 6 -35.877 -12.085 0.171 1.00 34.85 H new ATOM 0 HG1 THR A 6 -36.943 -9.849 0.057 1.00 35.00 H new ATOM 0 HG21 THR A 6 -34.258 -11.388 1.903 1.00 35.32 H new ATOM 0 HG22 THR A 6 -33.438 -11.920 0.416 1.00 35.32 H new ATOM 0 HG23 THR A 6 -33.582 -10.184 0.780 1.00 35.32 H new ATOM 75 N SER A 7 -36.312 -12.240 -2.929 1.00 33.71 N ATOM 76 CA SER A 7 -37.402 -12.701 -3.777 1.00 33.13 C ATOM 77 C SER A 7 -38.526 -13.317 -2.941 1.00 32.43 C ATOM 78 O SER A 7 -38.543 -14.523 -2.689 1.00 32.42 O ATOM 79 CB SER A 7 -36.876 -13.723 -4.789 1.00 33.49 C ATOM 80 OG SER A 7 -35.734 -13.230 -5.472 1.00 33.98 O ATOM 0 H SER A 7 -35.484 -12.835 -2.953 1.00 33.71 H new ATOM 0 HA SER A 7 -37.810 -11.842 -4.310 1.00 33.13 H new ATOM 0 HB2 SER A 7 -36.623 -14.650 -4.275 1.00 33.49 H new ATOM 0 HB3 SER A 7 -37.659 -13.961 -5.509 1.00 33.49 H new ATOM 0 HG SER A 7 -35.419 -13.903 -6.110 1.00 33.98 H new ATOM 86 N LEU A 8 -39.446 -12.476 -2.488 1.00 31.93 N ATOM 87 CA LEU A 8 -40.582 -12.938 -1.704 1.00 31.32 C ATOM 88 C LEU A 8 -41.791 -13.169 -2.596 1.00 30.56 C ATOM 89 O LEU A 8 -42.269 -14.292 -2.725 1.00 30.33 O ATOM 90 CB LEU A 8 -40.941 -11.927 -0.615 1.00 31.31 C ATOM 91 CG LEU A 8 -39.882 -11.711 0.466 1.00 32.11 C ATOM 92 CD1 LEU A 8 -40.384 -10.727 1.508 1.00 32.24 C ATOM 93 CD2 LEU A 8 -39.503 -13.028 1.128 1.00 32.31 C ATOM 0 H LEU A 8 -39.427 -11.469 -2.651 1.00 31.93 H new ATOM 0 HA LEU A 8 -40.298 -13.879 -1.234 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -41.149 -10.968 -1.090 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -41.864 -12.252 -0.134 1.00 31.31 H new ATOM 0 HG LEU A 8 -38.992 -11.299 -0.010 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -39.619 -10.583 2.271 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -40.604 -9.772 1.031 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -41.290 -11.118 1.971 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -38.748 -12.847 1.893 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -40.386 -13.472 1.588 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -39.103 -13.710 0.378 1.00 32.31 H new ATOM 105 N VAL A 9 -42.263 -12.089 -3.218 1.00 30.24 N ATOM 106 CA VAL A 9 -43.449 -12.123 -4.072 1.00 29.57 C ATOM 107 C VAL A 9 -44.683 -12.532 -3.267 1.00 29.50 C ATOM 108 O VAL A 9 -44.964 -13.717 -3.076 1.00 29.74 O ATOM 109 CB VAL A 9 -43.267 -13.054 -5.294 1.00 29.39 C ATOM 110 CG1 VAL A 9 -44.496 -13.010 -6.190 1.00 28.95 C ATOM 111 CG2 VAL A 9 -42.027 -12.655 -6.085 1.00 29.66 C ATOM 0 H VAL A 9 -41.834 -11.167 -3.144 1.00 30.24 H new ATOM 0 HA VAL A 9 -43.595 -11.113 -4.455 1.00 29.57 H new ATOM 0 HB VAL A 9 -43.139 -14.074 -4.931 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -44.348 -13.671 -7.044 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -45.370 -13.336 -5.626 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -44.652 -11.991 -6.544 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -41.912 -13.319 -6.942 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -42.133 -11.628 -6.434 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -41.147 -12.732 -5.446 1.00 29.66 H new ATOM 121 N GLN A 10 -45.416 -11.534 -2.787 1.00 29.28 N ATOM 122 CA GLN A 10 -46.563 -11.775 -1.918 1.00 29.30 C ATOM 123 C GLN A 10 -47.811 -12.110 -2.742 1.00 28.60 C ATOM 124 O GLN A 10 -48.852 -11.465 -2.613 1.00 28.70 O ATOM 125 CB GLN A 10 -46.829 -10.552 -1.029 1.00 29.33 C ATOM 126 CG GLN A 10 -47.730 -10.846 0.165 1.00 29.73 C ATOM 127 CD GLN A 10 -48.066 -9.603 0.964 1.00 30.01 C ATOM 128 OE1 GLN A 10 -47.337 -9.212 1.879 1.00 30.47 O ATOM 129 NE2 GLN A 10 -49.186 -8.982 0.640 1.00 29.80 N ATOM 0 H GLN A 10 -45.237 -10.550 -2.985 1.00 29.28 H new ATOM 0 HA GLN A 10 -46.332 -12.629 -1.281 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -45.877 -10.163 -0.667 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -47.285 -9.768 -1.633 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -48.653 -11.308 -0.186 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -47.239 -11.570 0.816 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -49.763 -9.336 -0.123 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -49.474 -8.149 1.153 1.00 29.80 H new ATOM 138 N GLY A 11 -47.697 -13.121 -3.589 1.00 27.99 N ATOM 139 CA GLY A 11 -48.825 -13.563 -4.379 1.00 27.37 C ATOM 140 C GLY A 11 -49.553 -14.683 -3.683 1.00 27.00 C ATOM 141 O GLY A 11 -49.378 -15.855 -4.021 1.00 26.96 O ATOM 0 H GLY A 11 -46.836 -13.646 -3.744 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -49.506 -12.729 -4.549 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -48.482 -13.898 -5.358 1.00 27.37 H new ATOM 145 N LEU A 12 -50.370 -14.329 -2.706 1.00 26.82 N ATOM 146 CA LEU A 12 -50.991 -15.322 -1.852 1.00 26.55 C ATOM 147 C LEU A 12 -52.259 -14.762 -1.218 1.00 25.80 C ATOM 148 O LEU A 12 -53.261 -15.462 -1.109 1.00 25.54 O ATOM 149 CB LEU A 12 -49.994 -15.760 -0.772 1.00 27.23 C ATOM 150 CG LEU A 12 -50.160 -17.196 -0.266 1.00 28.12 C ATOM 151 CD1 LEU A 12 -48.921 -17.629 0.501 1.00 28.61 C ATOM 152 CD2 LEU A 12 -51.394 -17.337 0.618 1.00 28.64 C ATOM 0 H LEU A 12 -50.617 -13.364 -2.486 1.00 26.82 H new ATOM 0 HA LEU A 12 -51.270 -16.188 -2.452 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -48.984 -15.647 -1.167 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -50.083 -15.082 0.077 1.00 27.23 H new ATOM 0 HG LEU A 12 -50.291 -17.841 -1.135 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -49.051 -18.651 0.856 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -48.052 -17.580 -0.155 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -48.770 -16.966 1.353 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -51.481 -18.368 0.959 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -51.302 -16.676 1.480 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -52.283 -17.067 0.048 1.00 28.64 H new ATOM 164 N THR A 13 -52.198 -13.497 -0.813 1.00 25.53 N ATOM 165 CA THR A 13 -53.317 -12.839 -0.148 1.00 24.91 C ATOM 166 C THR A 13 -54.563 -12.786 -1.038 1.00 24.79 C ATOM 167 O THR A 13 -54.593 -12.062 -2.037 1.00 24.22 O ATOM 168 CB THR A 13 -52.927 -11.415 0.290 1.00 24.58 C ATOM 169 OG1 THR A 13 -52.188 -10.764 -0.755 1.00 24.93 O ATOM 170 CG2 THR A 13 -52.090 -11.453 1.563 1.00 24.35 C ATOM 0 H THR A 13 -51.378 -12.903 -0.935 1.00 25.53 H new ATOM 0 HA THR A 13 -53.560 -13.434 0.733 1.00 24.91 H new ATOM 0 HB THR A 13 -53.841 -10.856 0.489 1.00 24.58 H new ATOM 0 HG1 THR A 13 -51.945 -9.859 -0.469 1.00 24.93 H new ATOM 0 HG21 THR A 13 -51.825 -10.437 1.855 1.00 24.35 H new ATOM 0 HG22 THR A 13 -52.664 -11.922 2.362 1.00 24.35 H new ATOM 0 HG23 THR A 13 -51.181 -12.027 1.384 1.00 24.35 H new ATOM 178 N PRO A 14 -55.592 -13.580 -0.693 1.00 25.42 N ATOM 179 CA PRO A 14 -56.849 -13.657 -1.454 1.00 25.50 C ATOM 180 C PRO A 14 -57.704 -12.369 -1.454 1.00 24.95 C ATOM 181 O PRO A 14 -58.190 -11.986 -2.518 1.00 24.63 O ATOM 182 CB PRO A 14 -57.609 -14.820 -0.793 1.00 26.39 C ATOM 183 CG PRO A 14 -56.579 -15.557 -0.003 1.00 26.81 C ATOM 184 CD PRO A 14 -55.591 -14.521 0.437 1.00 26.21 C ATOM 0 HA PRO A 14 -56.633 -13.802 -2.513 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -58.410 -14.453 -0.151 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -58.069 -15.466 -1.541 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -57.028 -16.059 0.854 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -56.098 -16.326 -0.607 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -55.895 -14.039 1.366 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -54.603 -14.949 0.608 1.00 26.21 H new ATOM 192 N PRO A 15 -57.942 -11.688 -0.292 1.00 24.93 N ATOM 193 CA PRO A 15 -58.801 -10.485 -0.241 1.00 24.50 C ATOM 194 C PRO A 15 -58.529 -9.443 -1.345 1.00 23.52 C ATOM 195 O PRO A 15 -59.469 -8.991 -1.998 1.00 23.07 O ATOM 196 CB PRO A 15 -58.516 -9.903 1.147 1.00 25.00 C ATOM 197 CG PRO A 15 -58.169 -11.084 1.973 1.00 25.60 C ATOM 198 CD PRO A 15 -57.432 -12.025 1.060 1.00 25.43 C ATOM 0 HA PRO A 15 -59.843 -10.753 -0.413 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -57.697 -9.184 1.117 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -59.385 -9.380 1.546 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -57.548 -10.798 2.822 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -59.065 -11.554 2.378 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -56.353 -11.882 1.127 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -57.632 -13.066 1.314 1.00 25.43 H new ATOM 206 N PRO A 16 -57.265 -9.021 -1.579 1.00 23.25 N ATOM 207 CA PRO A 16 -56.956 -8.060 -2.641 1.00 22.42 C ATOM 208 C PRO A 16 -57.168 -8.656 -4.027 1.00 22.03 C ATOM 209 O PRO A 16 -56.653 -9.730 -4.342 1.00 22.10 O ATOM 210 CB PRO A 16 -55.476 -7.718 -2.426 1.00 22.52 C ATOM 211 CG PRO A 16 -55.128 -8.266 -1.083 1.00 23.30 C ATOM 212 CD PRO A 16 -56.050 -9.420 -0.850 1.00 23.82 C ATOM 0 HA PRO A 16 -57.607 -7.187 -2.594 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -54.854 -8.162 -3.203 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -55.313 -6.641 -2.464 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -54.087 -8.587 -1.052 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -55.251 -7.508 -0.310 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -55.636 -10.352 -1.234 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -56.247 -9.572 0.211 1.00 23.82 H new ATOM 220 N ASP A 17 -57.937 -7.957 -4.850 1.00 21.73 N ATOM 221 CA ASP A 17 -58.214 -8.416 -6.206 1.00 21.48 C ATOM 222 C ASP A 17 -57.049 -8.090 -7.140 1.00 20.70 C ATOM 223 O ASP A 17 -56.961 -7.001 -7.714 1.00 20.31 O ATOM 224 CB ASP A 17 -59.530 -7.822 -6.741 1.00 21.48 C ATOM 225 CG ASP A 17 -59.626 -6.314 -6.574 1.00 21.55 C ATOM 226 OD1 ASP A 17 -59.990 -5.855 -5.465 1.00 21.80 O ATOM 227 OD2 ASP A 17 -59.350 -5.581 -7.544 1.00 21.44 O ATOM 0 H ASP A 17 -58.380 -7.072 -4.604 1.00 21.73 H new ATOM 0 HA ASP A 17 -58.330 -9.499 -6.172 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -59.628 -8.070 -7.798 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -60.368 -8.291 -6.225 1.00 21.48 H new ATOM 232 N PHE A 18 -56.139 -9.044 -7.278 1.00 20.58 N ATOM 233 CA PHE A 18 -54.985 -8.888 -8.154 1.00 19.96 C ATOM 234 C PHE A 18 -55.338 -9.294 -9.575 1.00 19.47 C ATOM 235 O PHE A 18 -54.611 -10.051 -10.212 1.00 19.17 O ATOM 236 CB PHE A 18 -53.806 -9.725 -7.652 1.00 20.48 C ATOM 237 CG PHE A 18 -53.243 -9.260 -6.343 1.00 20.66 C ATOM 238 CD1 PHE A 18 -52.487 -8.098 -6.268 1.00 20.54 C ATOM 239 CD2 PHE A 18 -53.466 -9.984 -5.181 1.00 21.10 C ATOM 240 CE1 PHE A 18 -51.970 -7.670 -5.060 1.00 20.84 C ATOM 241 CE2 PHE A 18 -52.951 -9.560 -3.970 1.00 21.40 C ATOM 242 CZ PHE A 18 -52.192 -8.389 -3.918 1.00 21.27 C ATOM 0 H PHE A 18 -56.178 -9.940 -6.791 1.00 20.58 H new ATOM 0 HA PHE A 18 -54.695 -7.837 -8.147 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -54.127 -10.762 -7.550 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -53.016 -9.708 -8.403 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -52.301 -7.523 -7.163 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -54.050 -10.892 -5.223 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -51.387 -6.762 -5.017 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -53.134 -10.130 -3.071 1.00 21.40 H new ATOM 0 HZ PHE A 18 -51.781 -8.052 -2.978 1.00 21.27 H new ATOM 252 N ASN A 19 -56.438 -8.743 -10.072 1.00 19.51 N ATOM 253 CA ASN A 19 -56.917 -9.038 -11.420 1.00 19.22 C ATOM 254 C ASN A 19 -55.850 -8.708 -12.468 1.00 18.44 C ATOM 255 O ASN A 19 -55.768 -9.360 -13.506 1.00 18.17 O ATOM 256 CB ASN A 19 -58.210 -8.255 -11.696 1.00 19.70 C ATOM 257 CG ASN A 19 -58.786 -8.528 -13.072 1.00 20.22 C ATOM 258 OD1 ASN A 19 -58.453 -7.675 -14.029 1.00 20.50 O flip ATOM 259 ND2 ASN A 19 -59.548 -9.477 -13.264 1.00 20.47 N flip ATOM 0 H ASN A 19 -57.021 -8.083 -9.558 1.00 19.51 H new ATOM 0 HA ASN A 19 -57.128 -10.105 -11.488 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -58.952 -8.512 -10.940 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -58.010 -7.188 -11.597 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -59.778 -10.110 -12.498 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -59.949 -9.630 -14.189 1.00 20.47 H new ATOM 266 N GLN A 20 -55.037 -7.690 -12.191 1.00 18.18 N ATOM 267 CA GLN A 20 -53.924 -7.338 -13.071 1.00 17.53 C ATOM 268 C GLN A 20 -52.582 -7.514 -12.357 1.00 17.18 C ATOM 269 O GLN A 20 -51.570 -6.951 -12.771 1.00 16.92 O ATOM 270 CB GLN A 20 -54.066 -5.903 -13.571 1.00 17.65 C ATOM 271 CG GLN A 20 -55.331 -5.666 -14.366 1.00 18.17 C ATOM 272 CD GLN A 20 -55.504 -4.210 -14.740 1.00 18.45 C ATOM 273 OE1 GLN A 20 -56.137 -3.443 -14.011 1.00 18.40 O ATOM 274 NE2 GLN A 20 -54.934 -3.810 -15.864 1.00 18.86 N ATOM 0 H GLN A 20 -55.128 -7.096 -11.367 1.00 18.18 H new ATOM 0 HA GLN A 20 -53.950 -8.013 -13.927 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -54.050 -5.225 -12.717 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -53.204 -5.655 -14.191 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -55.308 -6.272 -15.272 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -56.192 -5.995 -13.784 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -54.419 -4.476 -16.440 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -55.010 -2.835 -16.155 1.00 18.86 H new ATOM 283 N CYS A 21 -52.598 -8.292 -11.276 1.00 17.29 N ATOM 284 CA CYS A 21 -51.384 -8.672 -10.543 1.00 17.13 C ATOM 285 C CYS A 21 -50.601 -7.471 -9.987 1.00 16.75 C ATOM 286 O CYS A 21 -50.983 -6.892 -8.971 1.00 16.28 O ATOM 287 CB CYS A 21 -50.488 -9.519 -11.445 1.00 16.85 C ATOM 288 SG CYS A 21 -51.246 -11.058 -12.015 1.00 17.55 S ATOM 0 H CYS A 21 -53.454 -8.680 -10.880 1.00 17.29 H new ATOM 0 HA CYS A 21 -51.704 -9.250 -9.676 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -50.202 -8.925 -12.313 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -49.571 -9.757 -10.906 1.00 16.85 H new ATOM 0 HG CYS A 21 -50.407 -11.700 -12.773 1.00 17.55 H new ATOM 294 N LEU A 22 -49.540 -7.083 -10.692 1.00 17.08 N ATOM 295 CA LEU A 22 -48.562 -6.100 -10.195 1.00 16.96 C ATOM 296 C LEU A 22 -49.071 -4.663 -10.286 1.00 16.12 C ATOM 297 O LEU A 22 -48.320 -3.712 -10.089 1.00 16.24 O ATOM 298 CB LEU A 22 -47.188 -6.267 -10.910 1.00 17.70 C ATOM 299 CG LEU A 22 -47.041 -5.875 -12.415 1.00 18.56 C ATOM 300 CD1 LEU A 22 -48.162 -6.421 -13.290 1.00 18.72 C ATOM 301 CD2 LEU A 22 -46.913 -4.368 -12.604 1.00 19.08 C ATOM 0 H LEU A 22 -49.328 -7.438 -11.625 1.00 17.08 H new ATOM 0 HA LEU A 22 -48.419 -6.306 -9.134 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -46.457 -5.684 -10.350 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -46.899 -7.314 -10.817 1.00 17.70 H new ATOM 0 HG LEU A 22 -46.115 -6.346 -12.744 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -48.000 -6.113 -14.323 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -48.171 -7.509 -13.233 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -49.118 -6.032 -12.941 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -46.813 -4.142 -13.666 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -47.802 -3.875 -12.210 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -46.032 -4.008 -12.072 1.00 19.08 H new ATOM 313 N LYS A 23 -50.361 -4.520 -10.526 1.00 15.37 N ATOM 314 CA LYS A 23 -50.999 -3.211 -10.618 1.00 14.61 C ATOM 315 C LYS A 23 -51.155 -2.537 -9.255 1.00 14.25 C ATOM 316 O LYS A 23 -52.201 -1.954 -8.985 1.00 13.68 O ATOM 317 CB LYS A 23 -52.377 -3.348 -11.297 1.00 14.14 C ATOM 318 CG LYS A 23 -53.270 -4.478 -10.755 1.00 14.53 C ATOM 319 CD LYS A 23 -53.325 -4.497 -9.246 1.00 14.23 C ATOM 320 CE LYS A 23 -54.554 -5.175 -8.691 1.00 14.39 C ATOM 321 NZ LYS A 23 -55.810 -4.524 -9.159 1.00 14.38 N ATOM 0 H LYS A 23 -50.999 -5.304 -10.663 1.00 15.37 H new ATOM 0 HA LYS A 23 -50.348 -2.575 -11.218 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -52.911 -2.404 -11.191 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -52.223 -3.509 -12.364 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -54.279 -4.361 -11.151 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -52.896 -5.437 -11.114 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -52.438 -5.004 -8.866 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -53.289 -3.472 -8.877 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -54.556 -6.223 -8.990 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -54.519 -5.154 -7.602 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -56.426 -4.331 -8.343 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -55.580 -3.630 -9.639 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -56.302 -5.156 -9.822 1.00 14.38 H new ATOM 335 N ASN A 24 -50.129 -2.615 -8.411 1.00 14.73 N ATOM 336 CA ASN A 24 -50.193 -2.043 -7.063 1.00 14.67 C ATOM 337 C ASN A 24 -50.405 -0.527 -7.125 1.00 13.87 C ATOM 338 O ASN A 24 -49.480 0.269 -6.983 1.00 14.11 O ATOM 339 CB ASN A 24 -48.935 -2.394 -6.258 1.00 14.94 C ATOM 340 CG ASN A 24 -49.031 -1.994 -4.791 1.00 15.80 C ATOM 341 OD1 ASN A 24 -48.668 -0.879 -4.404 1.00 16.18 O ATOM 342 ND2 ASN A 24 -49.515 -2.908 -3.959 1.00 16.23 N ATOM 0 H ASN A 24 -49.243 -3.068 -8.634 1.00 14.73 H new ATOM 0 HA ASN A 24 -51.049 -2.480 -6.549 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -48.757 -3.467 -6.324 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -48.074 -1.899 -6.707 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -49.597 -2.699 -2.964 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -49.805 -3.819 -4.315 1.00 16.23 H new ATOM 349 N SER A 25 -51.650 -0.159 -7.366 1.00 13.05 N ATOM 350 CA SER A 25 -52.077 1.218 -7.446 1.00 12.28 C ATOM 351 C SER A 25 -53.239 1.535 -6.487 1.00 12.15 C ATOM 352 O SER A 25 -54.029 2.432 -6.772 1.00 12.30 O ATOM 353 CB SER A 25 -52.519 1.485 -8.884 1.00 12.37 C ATOM 354 OG SER A 25 -51.403 1.581 -9.754 1.00 12.97 O ATOM 0 H SER A 25 -52.406 -0.827 -7.514 1.00 13.05 H new ATOM 0 HA SER A 25 -51.243 1.856 -7.153 1.00 12.28 H new ATOM 0 HB2 SER A 25 -53.177 0.684 -9.220 1.00 12.37 H new ATOM 0 HB3 SER A 25 -53.096 2.409 -8.924 1.00 12.37 H new ATOM 0 HG SER A 25 -50.915 2.411 -9.570 1.00 12.97 H new ATOM 360 N PRO A 26 -53.373 0.852 -5.314 1.00 12.10 N ATOM 361 CA PRO A 26 -54.463 1.144 -4.391 1.00 12.18 C ATOM 362 C PRO A 26 -54.104 2.311 -3.482 1.00 11.48 C ATOM 363 O PRO A 26 -54.949 2.886 -2.801 1.00 11.60 O ATOM 364 CB PRO A 26 -54.614 -0.150 -3.589 1.00 12.53 C ATOM 365 CG PRO A 26 -53.296 -0.854 -3.679 1.00 12.59 C ATOM 366 CD PRO A 26 -52.495 -0.207 -4.780 1.00 12.23 C ATOM 0 HA PRO A 26 -55.383 1.435 -4.899 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -54.871 0.063 -2.551 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -55.414 -0.769 -3.995 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -52.763 -0.787 -2.731 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -53.444 -1.914 -3.888 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -51.562 0.208 -4.399 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -52.231 -0.929 -5.553 1.00 12.23 H new ATOM 374 N ASP A 27 -52.826 2.648 -3.501 1.00 10.92 N ATOM 375 CA ASP A 27 -52.288 3.757 -2.728 1.00 10.34 C ATOM 376 C ASP A 27 -51.801 4.850 -3.665 1.00 9.92 C ATOM 377 O ASP A 27 -51.910 6.038 -3.369 1.00 10.16 O ATOM 378 CB ASP A 27 -51.132 3.258 -1.857 1.00 10.24 C ATOM 379 CG ASP A 27 -50.412 4.375 -1.123 1.00 10.06 C ATOM 380 OD1 ASP A 27 -50.993 4.925 -0.165 1.00 9.96 O ATOM 381 OD2 ASP A 27 -49.282 4.722 -1.519 1.00 10.17 O ATOM 0 H ASP A 27 -52.126 2.157 -4.057 1.00 10.92 H new ATOM 0 HA ASP A 27 -53.069 4.166 -2.087 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -51.516 2.542 -1.130 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -50.418 2.724 -2.483 1.00 10.24 H new ATOM 386 N GLU A 28 -51.296 4.416 -4.820 1.00 9.51 N ATOM 387 CA GLU A 28 -50.666 5.299 -5.795 1.00 9.33 C ATOM 388 C GLU A 28 -49.542 6.102 -5.172 1.00 8.90 C ATOM 389 O GLU A 28 -49.649 7.310 -4.960 1.00 9.13 O ATOM 390 CB GLU A 28 -51.679 6.211 -6.476 1.00 10.13 C ATOM 391 CG GLU A 28 -52.342 5.555 -7.669 1.00 10.77 C ATOM 392 CD GLU A 28 -51.325 5.072 -8.688 1.00 11.21 C ATOM 393 OE1 GLU A 28 -50.767 3.974 -8.497 1.00 11.54 O ATOM 394 OE2 GLU A 28 -51.084 5.783 -9.683 1.00 11.40 O ATOM 0 H GLU A 28 -51.314 3.437 -5.105 1.00 9.51 H new ATOM 0 HA GLU A 28 -50.233 4.662 -6.566 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -52.443 6.502 -5.755 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -51.180 7.125 -6.799 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -52.945 4.713 -7.331 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -53.021 6.264 -8.142 1.00 10.77 H new ATOM 401 N LYS A 29 -48.467 5.405 -4.859 1.00 8.50 N ATOM 402 CA LYS A 29 -47.268 6.046 -4.374 1.00 8.24 C ATOM 403 C LYS A 29 -46.490 6.623 -5.547 1.00 7.81 C ATOM 404 O LYS A 29 -45.727 7.567 -5.382 1.00 7.74 O ATOM 405 CB LYS A 29 -46.397 5.063 -3.567 1.00 8.29 C ATOM 406 CG LYS A 29 -46.071 3.753 -4.280 1.00 8.34 C ATOM 407 CD LYS A 29 -47.241 2.776 -4.243 1.00 8.62 C ATOM 408 CE LYS A 29 -47.566 2.340 -2.822 1.00 8.72 C ATOM 409 NZ LYS A 29 -46.926 1.042 -2.471 1.00 9.11 N ATOM 0 H LYS A 29 -48.403 4.390 -4.934 1.00 8.50 H new ATOM 0 HA LYS A 29 -47.551 6.856 -3.701 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -45.462 5.559 -3.306 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -46.907 4.833 -2.632 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -45.805 3.961 -5.316 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -45.200 3.293 -3.813 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -48.119 3.243 -4.690 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -47.003 1.900 -4.847 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -47.233 3.108 -2.123 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -48.647 2.253 -2.709 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -47.061 0.851 -1.458 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -47.361 0.279 -3.028 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -45.909 1.088 -2.682 1.00 9.11 H new ATOM 423 N PHE A 30 -46.701 6.029 -6.731 1.00 7.78 N ATOM 424 CA PHE A 30 -46.052 6.456 -7.983 1.00 7.70 C ATOM 425 C PHE A 30 -44.547 6.160 -7.978 1.00 7.44 C ATOM 426 O PHE A 30 -43.953 5.881 -9.018 1.00 7.61 O ATOM 427 CB PHE A 30 -46.309 7.946 -8.258 1.00 7.98 C ATOM 428 CG PHE A 30 -45.758 8.421 -9.578 1.00 8.78 C ATOM 429 CD1 PHE A 30 -46.253 7.925 -10.772 1.00 9.03 C ATOM 430 CD2 PHE A 30 -44.737 9.361 -9.619 1.00 9.49 C ATOM 431 CE1 PHE A 30 -45.745 8.359 -11.985 1.00 9.98 C ATOM 432 CE2 PHE A 30 -44.226 9.798 -10.826 1.00 10.39 C ATOM 433 CZ PHE A 30 -44.750 9.303 -12.017 1.00 10.64 C ATOM 0 H PHE A 30 -47.330 5.235 -6.849 1.00 7.78 H new ATOM 0 HA PHE A 30 -46.499 5.874 -8.789 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -47.383 8.131 -8.235 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -45.866 8.536 -7.456 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -47.045 7.191 -10.757 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -44.337 9.755 -8.696 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -46.133 7.953 -12.908 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -43.423 10.521 -10.845 1.00 10.39 H new ATOM 0 HZ PHE A 30 -44.374 9.661 -12.964 1.00 10.64 H new ATOM 443 N PHE A 31 -43.942 6.210 -6.801 1.00 7.30 N ATOM 444 CA PHE A 31 -42.544 5.892 -6.633 1.00 7.33 C ATOM 445 C PHE A 31 -42.404 4.391 -6.514 1.00 7.51 C ATOM 446 O PHE A 31 -41.305 3.851 -6.549 1.00 7.81 O ATOM 447 CB PHE A 31 -42.000 6.588 -5.382 1.00 7.36 C ATOM 448 CG PHE A 31 -42.283 8.065 -5.366 1.00 7.57 C ATOM 449 CD1 PHE A 31 -41.776 8.887 -6.361 1.00 7.70 C ATOM 450 CD2 PHE A 31 -43.036 8.636 -4.349 1.00 7.97 C ATOM 451 CE1 PHE A 31 -42.015 10.248 -6.345 1.00 8.21 C ATOM 452 CE2 PHE A 31 -43.279 9.997 -4.330 1.00 8.50 C ATOM 453 CZ PHE A 31 -42.846 10.788 -5.348 1.00 8.62 C ATOM 0 H PHE A 31 -44.414 6.474 -5.936 1.00 7.30 H new ATOM 0 HA PHE A 31 -41.970 6.242 -7.491 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -42.440 6.129 -4.496 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -40.923 6.428 -5.322 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -41.187 8.458 -7.158 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -43.436 8.011 -3.565 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -41.568 10.890 -7.090 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -43.816 10.435 -3.502 1.00 8.50 H new ATOM 0 HZ PHE A 31 -43.139 11.827 -5.390 1.00 8.62 H new ATOM 463 N SER A 32 -43.552 3.742 -6.336 1.00 7.60 N ATOM 464 CA SER A 32 -43.659 2.286 -6.320 1.00 8.12 C ATOM 465 C SER A 32 -42.699 1.655 -5.312 1.00 8.57 C ATOM 466 O SER A 32 -42.261 0.522 -5.485 1.00 9.15 O ATOM 467 CB SER A 32 -43.417 1.751 -7.730 1.00 8.65 C ATOM 468 OG SER A 32 -44.324 2.334 -8.651 1.00 9.33 O ATOM 0 H SER A 32 -44.444 4.218 -6.197 1.00 7.60 H new ATOM 0 HA SER A 32 -44.664 2.012 -5.999 1.00 8.12 H new ATOM 0 HB2 SER A 32 -42.393 1.966 -8.035 1.00 8.65 H new ATOM 0 HB3 SER A 32 -43.530 0.667 -7.737 1.00 8.65 H new ATOM 0 HG SER A 32 -44.152 1.980 -9.548 1.00 9.33 H new ATOM 474 N ASP A 33 -42.394 2.409 -4.254 1.00 8.53 N ATOM 475 CA ASP A 33 -41.513 1.952 -3.181 1.00 9.12 C ATOM 476 C ASP A 33 -40.097 1.692 -3.680 1.00 9.48 C ATOM 477 O ASP A 33 -39.300 1.047 -3.001 1.00 10.03 O ATOM 478 CB ASP A 33 -42.083 0.717 -2.480 1.00 9.83 C ATOM 479 CG ASP A 33 -43.265 1.072 -1.605 1.00 10.39 C ATOM 480 OD1 ASP A 33 -44.396 1.120 -2.129 1.00 10.68 O ATOM 481 OD2 ASP A 33 -43.064 1.288 -0.392 1.00 10.73 O ATOM 0 H ASP A 33 -42.752 3.354 -4.118 1.00 8.53 H new ATOM 0 HA ASP A 33 -41.457 2.758 -2.449 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -42.388 -0.017 -3.225 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -41.307 0.251 -1.873 1.00 9.83 H new ATOM 486 N PHE A 34 -39.775 2.245 -4.853 1.00 9.37 N ATOM 487 CA PHE A 34 -38.412 2.220 -5.374 1.00 9.94 C ATOM 488 C PHE A 34 -37.488 3.021 -4.460 1.00 9.93 C ATOM 489 O PHE A 34 -36.264 3.006 -4.603 1.00 10.33 O ATOM 490 CB PHE A 34 -38.374 2.782 -6.797 1.00 9.89 C ATOM 491 CG PHE A 34 -38.790 1.784 -7.840 1.00 10.10 C ATOM 492 CD1 PHE A 34 -38.004 0.680 -8.111 1.00 10.53 C ATOM 493 CD2 PHE A 34 -39.972 1.952 -8.549 1.00 10.09 C ATOM 494 CE1 PHE A 34 -38.382 -0.240 -9.069 1.00 10.95 C ATOM 495 CE2 PHE A 34 -40.354 1.037 -9.512 1.00 10.50 C ATOM 496 CZ PHE A 34 -39.562 -0.061 -9.770 1.00 10.92 C ATOM 0 H PHE A 34 -40.446 2.717 -5.460 1.00 9.37 H new ATOM 0 HA PHE A 34 -38.067 1.187 -5.403 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -39.028 3.652 -6.855 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -37.364 3.128 -7.017 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -37.083 0.535 -7.567 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -40.600 2.807 -8.346 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -37.758 -1.098 -9.271 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -41.272 1.182 -10.062 1.00 10.50 H new ATOM 0 HZ PHE A 34 -39.862 -0.780 -10.518 1.00 10.92 H new ATOM 506 N SER A 35 -38.102 3.744 -3.538 1.00 9.65 N ATOM 507 CA SER A 35 -37.386 4.459 -2.493 1.00 9.74 C ATOM 508 C SER A 35 -38.217 4.479 -1.216 1.00 9.44 C ATOM 509 O SER A 35 -37.671 4.461 -0.112 1.00 9.50 O ATOM 510 CB SER A 35 -37.067 5.888 -2.943 1.00 10.04 C ATOM 511 OG SER A 35 -36.305 5.881 -4.136 1.00 10.16 O ATOM 0 H SER A 35 -39.115 3.852 -3.493 1.00 9.65 H new ATOM 0 HA SER A 35 -36.446 3.944 -2.296 1.00 9.74 H new ATOM 0 HB2 SER A 35 -37.994 6.440 -3.101 1.00 10.04 H new ATOM 0 HB3 SER A 35 -36.517 6.407 -2.158 1.00 10.04 H new ATOM 0 HG SER A 35 -36.715 6.485 -4.790 1.00 10.16 H new ATOM 517 N ASN A 36 -39.542 4.503 -1.391 1.00 9.30 N ATOM 518 CA ASN A 36 -40.502 4.528 -0.280 1.00 9.24 C ATOM 519 C ASN A 36 -40.489 5.880 0.427 1.00 8.77 C ATOM 520 O ASN A 36 -41.517 6.549 0.515 1.00 8.94 O ATOM 521 CB ASN A 36 -40.240 3.384 0.711 1.00 9.46 C ATOM 522 CG ASN A 36 -41.162 3.431 1.917 1.00 10.11 C ATOM 523 OD1 ASN A 36 -40.830 4.029 2.939 1.00 10.51 O ATOM 524 ND2 ASN A 36 -42.317 2.784 1.819 1.00 10.41 N ATOM 0 H ASN A 36 -39.982 4.506 -2.311 1.00 9.30 H new ATOM 0 HA ASN A 36 -41.497 4.380 -0.700 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -40.366 2.430 0.200 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -39.205 3.431 1.048 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -42.963 2.772 2.608 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -42.558 2.299 0.955 1.00 10.41 H new ATOM 531 N ASN A 37 -39.321 6.293 0.895 1.00 8.43 N ATOM 532 CA ASN A 37 -39.167 7.591 1.537 1.00 8.29 C ATOM 533 C ASN A 37 -39.148 8.710 0.495 1.00 7.88 C ATOM 534 O ASN A 37 -38.104 9.306 0.223 1.00 7.92 O ATOM 535 CB ASN A 37 -37.883 7.618 2.381 1.00 8.59 C ATOM 536 CG ASN A 37 -37.666 8.943 3.103 1.00 9.45 C ATOM 537 OD1 ASN A 37 -36.950 9.822 2.621 1.00 9.82 O ATOM 538 ND2 ASN A 37 -38.286 9.092 4.258 1.00 10.00 N ATOM 0 H ASN A 37 -38.462 5.746 0.842 1.00 8.43 H new ATOM 0 HA ASN A 37 -40.020 7.754 2.196 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -37.922 6.814 3.116 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -37.027 7.419 1.736 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -38.181 9.959 4.785 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -38.870 8.340 4.624 1.00 10.00 H new ATOM 545 N MET A 38 -40.307 8.931 -0.133 1.00 7.75 N ATOM 546 CA MET A 38 -40.515 10.014 -1.110 1.00 7.70 C ATOM 547 C MET A 38 -39.734 9.799 -2.407 1.00 7.11 C ATOM 548 O MET A 38 -40.242 10.054 -3.496 1.00 7.09 O ATOM 549 CB MET A 38 -40.147 11.375 -0.506 1.00 8.48 C ATOM 550 CG MET A 38 -40.993 11.772 0.700 1.00 9.45 C ATOM 551 SD MET A 38 -42.762 11.765 0.355 1.00 10.41 S ATOM 552 CE MET A 38 -42.840 12.931 -1.004 1.00 10.82 C ATOM 0 H MET A 38 -41.138 8.360 0.021 1.00 7.75 H new ATOM 0 HA MET A 38 -41.576 10.000 -1.358 1.00 7.70 H new ATOM 0 HB2 MET A 38 -39.098 11.357 -0.210 1.00 8.48 H new ATOM 0 HB3 MET A 38 -40.248 12.141 -1.275 1.00 8.48 H new ATOM 0 HG2 MET A 38 -40.786 11.087 1.523 1.00 9.45 H new ATOM 0 HG3 MET A 38 -40.697 12.767 1.032 1.00 9.45 H new ATOM 0 HE1 MET A 38 -43.871 13.255 -1.147 1.00 10.82 H new ATOM 0 HE2 MET A 38 -42.216 13.796 -0.778 1.00 10.82 H new ATOM 0 HE3 MET A 38 -42.480 12.453 -1.915 1.00 10.82 H new ATOM 562 N GLY A 39 -38.510 9.330 -2.294 1.00 6.94 N ATOM 563 CA GLY A 39 -37.660 9.207 -3.455 1.00 6.72 C ATOM 564 C GLY A 39 -36.573 10.257 -3.446 1.00 6.82 C ATOM 565 O GLY A 39 -35.817 10.396 -4.407 1.00 7.22 O ATOM 0 H GLY A 39 -38.085 9.030 -1.417 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -37.211 8.214 -3.477 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -38.259 9.306 -4.360 1.00 6.72 H new ATOM 569 N SER A 40 -36.494 10.991 -2.347 1.00 6.70 N ATOM 570 CA SER A 40 -35.517 12.051 -2.210 1.00 7.03 C ATOM 571 C SER A 40 -34.158 11.475 -1.841 1.00 6.75 C ATOM 572 O SER A 40 -33.133 11.851 -2.413 1.00 7.15 O ATOM 573 CB SER A 40 -35.991 13.048 -1.153 1.00 7.71 C ATOM 574 OG SER A 40 -36.406 12.372 0.027 1.00 7.71 O ATOM 0 H SER A 40 -37.099 10.868 -1.535 1.00 6.70 H new ATOM 0 HA SER A 40 -35.413 12.571 -3.162 1.00 7.03 H new ATOM 0 HB2 SER A 40 -35.186 13.743 -0.915 1.00 7.71 H new ATOM 0 HB3 SER A 40 -36.817 13.639 -1.548 1.00 7.71 H new ATOM 0 HG SER A 40 -36.704 13.027 0.692 1.00 7.71 H new ATOM 580 N ARG A 41 -34.177 10.578 -0.856 1.00 6.32 N ATOM 581 CA ARG A 41 -33.002 9.815 -0.421 1.00 6.15 C ATOM 582 C ARG A 41 -31.971 10.685 0.310 1.00 6.66 C ATOM 583 O ARG A 41 -31.068 10.159 0.958 1.00 6.86 O ATOM 584 CB ARG A 41 -32.351 9.104 -1.614 1.00 5.64 C ATOM 585 CG ARG A 41 -33.233 8.034 -2.253 1.00 5.83 C ATOM 586 CD ARG A 41 -32.600 7.477 -3.517 1.00 6.30 C ATOM 587 NE ARG A 41 -33.341 6.330 -4.044 1.00 6.60 N ATOM 588 CZ ARG A 41 -33.066 5.737 -5.210 1.00 7.29 C ATOM 589 NH1 ARG A 41 -32.153 6.252 -6.022 1.00 7.72 N ATOM 590 NH2 ARG A 41 -33.730 4.646 -5.580 1.00 7.82 N ATOM 0 H ARG A 41 -35.021 10.356 -0.328 1.00 6.32 H new ATOM 0 HA ARG A 41 -33.355 9.071 0.293 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -32.092 9.846 -2.369 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -31.419 8.644 -1.286 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -33.401 7.226 -1.541 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -34.209 8.458 -2.489 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -32.556 8.259 -4.275 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -31.573 7.179 -3.307 1.00 6.30 H new ATOM 0 HE ARG A 41 -34.113 5.961 -3.489 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -31.658 7.104 -5.758 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -31.946 5.797 -6.911 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -34.452 4.258 -4.973 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -33.517 4.197 -6.471 1.00 7.82 H new ATOM 604 N LYS A 42 -32.113 12.011 0.189 1.00 7.18 N ATOM 605 CA LYS A 42 -31.212 12.981 0.833 1.00 7.95 C ATOM 606 C LYS A 42 -29.779 12.861 0.310 1.00 7.64 C ATOM 607 O LYS A 42 -28.855 13.414 0.904 1.00 7.95 O ATOM 608 CB LYS A 42 -31.227 12.837 2.368 1.00 8.85 C ATOM 609 CG LYS A 42 -32.458 13.430 3.046 1.00 9.40 C ATOM 610 CD LYS A 42 -33.674 12.520 2.951 1.00 8.95 C ATOM 611 CE LYS A 42 -34.886 13.141 3.635 1.00 9.61 C ATOM 612 NZ LYS A 42 -36.031 12.196 3.707 1.00 9.98 N ATOM 0 H LYS A 42 -32.856 12.444 -0.359 1.00 7.18 H new ATOM 0 HA LYS A 42 -31.587 13.971 0.575 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -31.162 11.779 2.622 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -30.337 13.317 2.774 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -32.233 13.622 4.095 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -32.692 14.392 2.589 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -33.905 12.326 1.903 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -33.448 11.558 3.411 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -34.612 13.456 4.642 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -35.189 14.037 3.093 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -36.910 12.697 3.466 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -35.881 11.417 3.035 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -36.105 11.812 4.671 1.00 9.98 H new ATOM 626 N ASN A 43 -29.622 12.172 -0.822 1.00 7.18 N ATOM 627 CA ASN A 43 -28.308 11.931 -1.428 1.00 6.90 C ATOM 628 C ASN A 43 -27.345 11.260 -0.447 1.00 6.59 C ATOM 629 O ASN A 43 -26.552 11.926 0.217 1.00 7.32 O ATOM 630 CB ASN A 43 -27.690 13.235 -1.956 1.00 7.86 C ATOM 631 CG ASN A 43 -28.387 13.750 -3.196 1.00 7.89 C ATOM 632 OD1 ASN A 43 -28.050 13.359 -4.312 1.00 7.84 O ATOM 633 ND2 ASN A 43 -29.348 14.643 -3.018 1.00 8.26 N ATOM 0 H ASN A 43 -30.398 11.766 -1.344 1.00 7.18 H new ATOM 0 HA ASN A 43 -28.468 11.253 -2.267 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -27.735 13.995 -1.176 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -26.636 13.069 -2.179 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -29.838 15.032 -3.823 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -29.598 14.942 -2.075 1.00 8.26 H new ATOM 640 N PRO A 44 -27.408 9.924 -0.345 1.00 5.79 N ATOM 641 CA PRO A 44 -26.572 9.146 0.571 1.00 5.83 C ATOM 642 C PRO A 44 -25.278 8.668 -0.081 1.00 5.83 C ATOM 643 O PRO A 44 -24.719 7.640 0.311 1.00 6.26 O ATOM 644 CB PRO A 44 -27.484 7.962 0.869 1.00 5.35 C ATOM 645 CG PRO A 44 -28.170 7.704 -0.432 1.00 4.82 C ATOM 646 CD PRO A 44 -28.314 9.049 -1.109 1.00 5.18 C ATOM 0 HA PRO A 44 -26.245 9.714 1.442 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -26.916 7.093 1.201 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -28.198 8.196 1.658 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -27.589 7.018 -1.049 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -29.144 7.242 -0.273 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -28.031 9.000 -2.161 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -29.343 9.408 -1.072 1.00 5.18 H new ATOM 654 N ASP A 45 -24.806 9.437 -1.067 1.00 5.59 N ATOM 655 CA ASP A 45 -23.658 9.052 -1.896 1.00 5.67 C ATOM 656 C ASP A 45 -24.008 7.853 -2.777 1.00 5.46 C ATOM 657 O ASP A 45 -25.034 7.203 -2.570 1.00 5.44 O ATOM 658 CB ASP A 45 -22.420 8.752 -1.041 1.00 6.26 C ATOM 659 CG ASP A 45 -21.625 10.000 -0.704 1.00 6.73 C ATOM 660 OD1 ASP A 45 -21.965 10.665 0.300 1.00 6.98 O ATOM 661 OD2 ASP A 45 -20.670 10.325 -1.443 1.00 7.06 O ATOM 0 H ASP A 45 -25.207 10.342 -1.313 1.00 5.59 H new ATOM 0 HA ASP A 45 -23.417 9.898 -2.540 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -22.731 8.264 -0.117 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -21.778 8.050 -1.572 1.00 6.26 H new ATOM 666 N PRO A 46 -23.193 7.570 -3.808 1.00 5.77 N ATOM 667 CA PRO A 46 -23.414 6.429 -4.707 1.00 6.07 C ATOM 668 C PRO A 46 -23.497 5.094 -3.974 1.00 6.28 C ATOM 669 O PRO A 46 -24.358 4.266 -4.273 1.00 6.83 O ATOM 670 CB PRO A 46 -22.187 6.446 -5.617 1.00 6.80 C ATOM 671 CG PRO A 46 -21.721 7.854 -5.594 1.00 6.93 C ATOM 672 CD PRO A 46 -22.017 8.361 -4.213 1.00 6.33 C ATOM 0 HA PRO A 46 -24.365 6.522 -5.232 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -21.415 5.767 -5.254 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -22.440 6.129 -6.629 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -20.655 7.917 -5.813 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -22.237 8.449 -6.348 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -21.175 8.205 -3.538 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -22.232 9.430 -4.214 1.00 6.33 H new ATOM 680 N LEU A 47 -22.605 4.884 -3.016 1.00 6.19 N ATOM 681 CA LEU A 47 -22.549 3.609 -2.319 1.00 6.74 C ATOM 682 C LEU A 47 -22.375 3.783 -0.815 1.00 6.79 C ATOM 683 O LEU A 47 -22.999 3.056 -0.036 1.00 7.54 O ATOM 684 CB LEU A 47 -21.448 2.711 -2.911 1.00 7.04 C ATOM 685 CG LEU A 47 -20.046 3.320 -3.009 1.00 7.00 C ATOM 686 CD1 LEU A 47 -19.197 2.950 -1.800 1.00 6.92 C ATOM 687 CD2 LEU A 47 -19.376 2.870 -4.300 1.00 7.53 C ATOM 0 H LEU A 47 -21.918 5.572 -2.707 1.00 6.19 H new ATOM 0 HA LEU A 47 -23.509 3.114 -2.468 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -21.385 1.806 -2.307 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -21.758 2.406 -3.911 1.00 7.04 H new ATOM 0 HG LEU A 47 -20.141 4.406 -3.020 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -18.208 3.397 -1.899 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -19.674 3.322 -0.893 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -19.101 1.866 -1.741 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -18.379 3.306 -4.364 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -19.297 1.783 -4.309 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -19.971 3.198 -5.152 1.00 7.53 H new ATOM 699 N ALA A 48 -21.545 4.737 -0.390 1.00 6.28 N ATOM 700 CA ALA A 48 -21.332 4.955 1.036 1.00 6.64 C ATOM 701 C ALA A 48 -21.012 6.414 1.329 1.00 6.21 C ATOM 702 O ALA A 48 -21.866 7.160 1.806 1.00 6.37 O ATOM 703 CB ALA A 48 -20.227 4.042 1.555 1.00 7.26 C ATOM 0 H ALA A 48 -21.019 5.360 -1.003 1.00 6.28 H new ATOM 0 HA ALA A 48 -22.257 4.709 1.558 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -20.081 4.217 2.621 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -20.509 3.002 1.394 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -19.300 4.253 1.022 1.00 7.26 H new ATOM 709 N THR A 49 -19.782 6.811 1.048 1.00 5.97 N ATOM 710 CA THR A 49 -19.341 8.186 1.218 1.00 5.78 C ATOM 711 C THR A 49 -18.088 8.370 0.393 1.00 5.51 C ATOM 712 O THR A 49 -17.013 7.905 0.777 1.00 5.78 O ATOM 713 CB THR A 49 -19.024 8.546 2.685 1.00 5.98 C ATOM 714 OG1 THR A 49 -20.033 8.019 3.557 1.00 6.42 O ATOM 715 CG2 THR A 49 -18.953 10.056 2.859 1.00 6.50 C ATOM 0 H THR A 49 -19.058 6.186 0.694 1.00 5.97 H new ATOM 0 HA THR A 49 -20.152 8.841 0.899 1.00 5.78 H new ATOM 0 HB THR A 49 -18.059 8.108 2.940 1.00 5.98 H new ATOM 0 HG1 THR A 49 -20.892 7.994 3.086 1.00 6.42 H new ATOM 0 HG21 THR A 49 -18.729 10.292 3.899 1.00 6.50 H new ATOM 0 HG22 THR A 49 -18.169 10.460 2.218 1.00 6.50 H new ATOM 0 HG23 THR A 49 -19.910 10.499 2.585 1.00 6.50 H new ATOM 723 N GLU A 50 -18.230 9.007 -0.750 1.00 5.40 N ATOM 724 CA GLU A 50 -17.142 9.102 -1.706 1.00 5.68 C ATOM 725 C GLU A 50 -16.116 10.152 -1.279 1.00 5.52 C ATOM 726 O GLU A 50 -15.990 11.225 -1.870 1.00 5.73 O ATOM 727 CB GLU A 50 -17.684 9.375 -3.108 1.00 6.30 C ATOM 728 CG GLU A 50 -18.696 8.339 -3.582 1.00 7.02 C ATOM 729 CD GLU A 50 -18.322 6.918 -3.209 1.00 8.02 C ATOM 730 OE1 GLU A 50 -17.350 6.388 -3.794 1.00 8.59 O ATOM 731 OE2 GLU A 50 -18.987 6.335 -2.327 1.00 8.40 O ATOM 0 H GLU A 50 -19.091 9.469 -1.042 1.00 5.40 H new ATOM 0 HA GLU A 50 -16.623 8.144 -1.730 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -18.151 10.360 -3.123 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -16.851 9.406 -3.811 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -19.672 8.574 -3.156 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -18.796 8.408 -4.665 1.00 7.02 H new ATOM 738 N GLU A 51 -15.411 9.798 -0.215 1.00 5.43 N ATOM 739 CA GLU A 51 -14.320 10.570 0.364 1.00 5.45 C ATOM 740 C GLU A 51 -13.810 9.789 1.554 1.00 5.48 C ATOM 741 O GLU A 51 -12.618 9.802 1.860 1.00 5.85 O ATOM 742 CB GLU A 51 -14.737 11.971 0.843 1.00 5.47 C ATOM 743 CG GLU A 51 -15.823 11.980 1.910 1.00 6.03 C ATOM 744 CD GLU A 51 -16.013 13.348 2.533 1.00 6.79 C ATOM 745 OE1 GLU A 51 -15.004 14.044 2.771 1.00 6.93 O ATOM 746 OE2 GLU A 51 -17.173 13.751 2.765 1.00 7.46 O ATOM 0 H GLU A 51 -15.590 8.930 0.290 1.00 5.43 H new ATOM 0 HA GLU A 51 -13.567 10.720 -0.409 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -13.858 12.483 1.234 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -15.085 12.545 -0.016 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -16.764 11.651 1.469 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -15.568 11.262 2.689 1.00 6.03 H new ATOM 753 N VAL A 52 -14.762 9.085 2.183 1.00 5.42 N ATOM 754 CA VAL A 52 -14.547 8.304 3.394 1.00 5.86 C ATOM 755 C VAL A 52 -13.557 8.986 4.346 1.00 6.11 C ATOM 756 O VAL A 52 -12.355 8.713 4.346 1.00 6.55 O ATOM 757 CB VAL A 52 -14.166 6.835 3.069 1.00 6.43 C ATOM 758 CG1 VAL A 52 -12.857 6.717 2.294 1.00 6.99 C ATOM 759 CG2 VAL A 52 -14.128 6.000 4.339 1.00 6.80 C ATOM 0 H VAL A 52 -15.725 9.047 1.849 1.00 5.42 H new ATOM 0 HA VAL A 52 -15.495 8.260 3.929 1.00 5.86 H new ATOM 0 HB VAL A 52 -14.944 6.444 2.414 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -12.644 5.666 2.097 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -12.944 7.253 1.349 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -12.046 7.147 2.882 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -13.859 4.973 4.091 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -13.388 6.414 5.024 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -15.109 6.014 4.813 1.00 6.80 H new ATOM 769 N PRO A 53 -14.073 9.925 5.162 1.00 6.09 N ATOM 770 CA PRO A 53 -13.254 10.748 6.052 1.00 6.51 C ATOM 771 C PRO A 53 -12.626 9.944 7.179 1.00 6.99 C ATOM 772 O PRO A 53 -13.016 10.058 8.341 1.00 7.85 O ATOM 773 CB PRO A 53 -14.238 11.783 6.602 1.00 6.60 C ATOM 774 CG PRO A 53 -15.576 11.141 6.488 1.00 6.37 C ATOM 775 CD PRO A 53 -15.508 10.250 5.282 1.00 6.00 C ATOM 0 HA PRO A 53 -12.409 11.192 5.525 1.00 6.51 H new ATOM 0 HB2 PRO A 53 -14.008 12.035 7.637 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -14.195 12.711 6.031 1.00 6.60 H new ATOM 0 HG2 PRO A 53 -15.810 10.567 7.384 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -16.360 11.890 6.375 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -16.111 9.352 5.414 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -15.879 10.755 4.390 1.00 6.00 H new ATOM 783 N ASN A 54 -11.655 9.121 6.819 1.00 6.65 N ATOM 784 CA ASN A 54 -10.942 8.299 7.791 1.00 7.32 C ATOM 785 C ASN A 54 -9.945 9.132 8.578 1.00 7.87 C ATOM 786 O ASN A 54 -9.377 8.676 9.568 1.00 8.62 O ATOM 787 CB ASN A 54 -10.224 7.127 7.112 1.00 7.53 C ATOM 788 CG ASN A 54 -11.166 6.020 6.672 1.00 7.80 C ATOM 789 OD1 ASN A 54 -12.241 5.810 7.423 1.00 7.76 O flip ATOM 790 ND2 ASN A 54 -10.919 5.344 5.674 1.00 8.37 N flip ATOM 0 H ASN A 54 -11.339 9.002 5.856 1.00 6.65 H new ATOM 0 HA ASN A 54 -11.683 7.894 8.480 1.00 7.32 H new ATOM 0 HB2 ASN A 54 -9.679 7.498 6.244 1.00 7.53 H new ATOM 0 HB3 ASN A 54 -9.486 6.715 7.800 1.00 7.53 H new ATOM 0 HD21 ASN A 54 -10.083 5.536 5.122 1.00 8.37 H new ATOM 0 HD22 ASN A 54 -11.550 4.592 5.398 1.00 8.37 H new ATOM 797 N GLN A 55 -9.755 10.362 8.118 1.00 7.71 N ATOM 798 CA GLN A 55 -8.831 11.311 8.741 1.00 8.46 C ATOM 799 C GLN A 55 -7.385 10.816 8.669 1.00 8.71 C ATOM 800 O GLN A 55 -6.518 11.289 9.402 1.00 9.31 O ATOM 801 CB GLN A 55 -9.250 11.584 10.191 1.00 9.37 C ATOM 802 CG GLN A 55 -10.585 12.308 10.298 1.00 9.49 C ATOM 803 CD GLN A 55 -11.079 12.439 11.725 1.00 9.90 C ATOM 804 OE1 GLN A 55 -10.763 13.405 12.421 1.00 10.49 O ATOM 805 NE2 GLN A 55 -11.875 11.477 12.166 1.00 9.79 N ATOM 0 H GLN A 55 -10.237 10.734 7.300 1.00 7.71 H new ATOM 0 HA GLN A 55 -8.879 12.247 8.184 1.00 8.46 H new ATOM 0 HB2 GLN A 55 -9.311 10.638 10.730 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -8.479 12.180 10.680 1.00 9.37 H new ATOM 0 HG2 GLN A 55 -10.488 13.302 9.861 1.00 9.49 H new ATOM 0 HG3 GLN A 55 -11.330 11.772 9.710 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -12.113 10.693 11.558 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -12.250 11.520 13.114 1.00 9.79 H new ATOM 814 N GLU A 56 -7.134 9.882 7.757 1.00 8.44 N ATOM 815 CA GLU A 56 -5.792 9.347 7.545 1.00 8.86 C ATOM 816 C GLU A 56 -5.044 10.205 6.532 1.00 8.25 C ATOM 817 O GLU A 56 -5.388 11.373 6.324 1.00 8.21 O ATOM 818 CB GLU A 56 -5.870 7.897 7.055 1.00 9.28 C ATOM 819 CG GLU A 56 -6.545 6.960 8.040 1.00 10.30 C ATOM 820 CD GLU A 56 -6.511 5.515 7.585 1.00 10.82 C ATOM 821 OE1 GLU A 56 -7.408 5.101 6.823 1.00 11.07 O ATOM 822 OE2 GLU A 56 -5.583 4.779 7.983 1.00 11.15 O ATOM 0 H GLU A 56 -7.846 9.478 7.149 1.00 8.44 H new ATOM 0 HA GLU A 56 -5.252 9.366 8.492 1.00 8.86 H new ATOM 0 HB2 GLU A 56 -6.413 7.870 6.110 1.00 9.28 H new ATOM 0 HB3 GLU A 56 -4.862 7.535 6.854 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -6.055 7.043 9.010 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -7.581 7.269 8.179 1.00 10.30 H new ATOM 829 N GLN A 57 -4.029 9.634 5.894 1.00 8.02 N ATOM 830 CA GLN A 57 -3.249 10.353 4.886 1.00 7.71 C ATOM 831 C GLN A 57 -3.988 10.398 3.553 1.00 6.84 C ATOM 832 O GLN A 57 -3.467 9.987 2.514 1.00 6.77 O ATOM 833 CB GLN A 57 -1.869 9.719 4.701 1.00 8.64 C ATOM 834 CG GLN A 57 -0.818 10.237 5.674 1.00 9.62 C ATOM 835 CD GLN A 57 -1.102 9.865 7.114 1.00 10.46 C ATOM 836 OE1 GLN A 57 -1.665 8.810 7.400 1.00 10.72 O ATOM 837 NE2 GLN A 57 -0.719 10.739 8.028 1.00 11.09 N ATOM 0 H GLN A 57 -3.724 8.674 6.055 1.00 8.02 H new ATOM 0 HA GLN A 57 -3.114 11.374 5.243 1.00 7.71 H new ATOM 0 HB2 GLN A 57 -1.957 8.639 4.818 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -1.529 9.903 3.682 1.00 8.64 H new ATOM 0 HG2 GLN A 57 0.157 9.842 5.389 1.00 9.62 H new ATOM 0 HG3 GLN A 57 -0.759 11.322 5.591 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -0.255 11.602 7.745 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -0.887 10.550 9.016 1.00 11.09 H new ATOM 846 N ILE A 58 -5.203 10.917 3.602 1.00 6.43 N ATOM 847 CA ILE A 58 -6.038 11.061 2.417 1.00 5.79 C ATOM 848 C ILE A 58 -5.613 12.237 1.513 1.00 5.74 C ATOM 849 O ILE A 58 -5.854 12.172 0.311 1.00 5.48 O ATOM 850 CB ILE A 58 -7.539 11.181 2.780 1.00 5.36 C ATOM 851 CG1 ILE A 58 -7.770 12.306 3.789 1.00 5.76 C ATOM 852 CG2 ILE A 58 -8.053 9.854 3.326 1.00 5.36 C ATOM 853 CD1 ILE A 58 -9.222 12.492 4.173 1.00 6.29 C ATOM 0 H ILE A 58 -5.640 11.250 4.461 1.00 6.43 H new ATOM 0 HA ILE A 58 -5.889 10.145 1.846 1.00 5.79 H new ATOM 0 HB ILE A 58 -8.094 11.426 1.875 1.00 5.36 H new ATOM 0 HG12 ILE A 58 -7.189 12.100 4.688 1.00 5.76 H new ATOM 0 HG13 ILE A 58 -7.392 13.239 3.372 1.00 5.76 H new ATOM 0 HG21 ILE A 58 -9.109 9.949 3.578 1.00 5.36 H new ATOM 0 HG22 ILE A 58 -7.929 9.077 2.571 1.00 5.36 H new ATOM 0 HG23 ILE A 58 -7.489 9.585 4.219 1.00 5.36 H new ATOM 0 HD11 ILE A 58 -9.307 13.307 4.892 1.00 6.29 H new ATOM 0 HD12 ILE A 58 -9.806 12.730 3.284 1.00 6.29 H new ATOM 0 HD13 ILE A 58 -9.601 11.573 4.621 1.00 6.29 H new ATOM 865 N PRO A 59 -4.991 13.339 2.030 1.00 6.40 N ATOM 866 CA PRO A 59 -4.472 14.405 1.165 1.00 6.85 C ATOM 867 C PRO A 59 -3.265 13.947 0.342 1.00 6.63 C ATOM 868 O PRO A 59 -2.120 14.282 0.653 1.00 7.28 O ATOM 869 CB PRO A 59 -4.058 15.528 2.131 1.00 7.95 C ATOM 870 CG PRO A 59 -4.697 15.175 3.429 1.00 8.02 C ATOM 871 CD PRO A 59 -4.773 13.677 3.449 1.00 7.12 C ATOM 0 HA PRO A 59 -5.223 14.720 0.440 1.00 6.85 H new ATOM 0 HB2 PRO A 59 -2.974 15.586 2.228 1.00 7.95 H new ATOM 0 HB3 PRO A 59 -4.398 16.500 1.775 1.00 7.95 H new ATOM 0 HG2 PRO A 59 -4.111 15.549 4.269 1.00 8.02 H new ATOM 0 HG3 PRO A 59 -5.689 15.619 3.511 1.00 8.02 H new ATOM 0 HD2 PRO A 59 -3.856 13.231 3.834 1.00 7.12 H new ATOM 0 HD3 PRO A 59 -5.589 13.322 4.079 1.00 7.12 H new ATOM 879 N GLU A 60 -3.529 13.140 -0.673 1.00 5.93 N ATOM 880 CA GLU A 60 -2.497 12.693 -1.596 1.00 5.88 C ATOM 881 C GLU A 60 -2.554 13.521 -2.874 1.00 5.80 C ATOM 882 O GLU A 60 -1.632 13.487 -3.693 1.00 5.92 O ATOM 883 CB GLU A 60 -2.693 11.213 -1.923 1.00 5.78 C ATOM 884 CG GLU A 60 -2.746 10.325 -0.691 1.00 5.71 C ATOM 885 CD GLU A 60 -2.998 8.873 -1.024 1.00 6.20 C ATOM 886 OE1 GLU A 60 -4.080 8.562 -1.571 1.00 6.44 O ATOM 887 OE2 GLU A 60 -2.114 8.034 -0.759 1.00 6.61 O ATOM 0 H GLU A 60 -4.460 12.778 -0.880 1.00 5.93 H new ATOM 0 HA GLU A 60 -1.521 12.824 -1.129 1.00 5.88 H new ATOM 0 HB2 GLU A 60 -3.617 11.093 -2.489 1.00 5.78 H new ATOM 0 HB3 GLU A 60 -1.879 10.880 -2.567 1.00 5.78 H new ATOM 0 HG2 GLU A 60 -1.805 10.410 -0.147 1.00 5.71 H new ATOM 0 HG3 GLU A 60 -3.532 10.682 -0.026 1.00 5.71 H new ATOM 894 N GLU A 61 -3.668 14.245 -3.034 1.00 5.98 N ATOM 895 CA GLU A 61 -3.905 15.147 -4.168 1.00 6.40 C ATOM 896 C GLU A 61 -4.159 14.392 -5.480 1.00 6.67 C ATOM 897 O GLU A 61 -5.014 14.793 -6.267 1.00 7.45 O ATOM 898 CB GLU A 61 -2.774 16.172 -4.306 1.00 6.95 C ATOM 899 CG GLU A 61 -2.658 17.068 -3.082 1.00 7.52 C ATOM 900 CD GLU A 61 -1.684 18.210 -3.263 1.00 8.17 C ATOM 901 OE1 GLU A 61 -2.076 19.243 -3.843 1.00 8.32 O ATOM 902 OE2 GLU A 61 -0.529 18.092 -2.807 1.00 8.72 O ATOM 0 H GLU A 61 -4.442 14.221 -2.370 1.00 5.98 H new ATOM 0 HA GLU A 61 -4.823 15.694 -3.952 1.00 6.40 H new ATOM 0 HB2 GLU A 61 -1.830 15.650 -4.463 1.00 6.95 H new ATOM 0 HB3 GLU A 61 -2.949 16.787 -5.189 1.00 6.95 H new ATOM 0 HG2 GLU A 61 -3.641 17.473 -2.843 1.00 7.52 H new ATOM 0 HG3 GLU A 61 -2.346 16.466 -2.229 1.00 7.52 H new ATOM 909 N GLY A 62 -3.430 13.310 -5.715 1.00 6.22 N ATOM 910 CA GLY A 62 -3.746 12.444 -6.836 1.00 6.69 C ATOM 911 C GLY A 62 -2.566 12.168 -7.747 1.00 6.92 C ATOM 912 O GLY A 62 -2.362 11.031 -8.169 1.00 7.40 O ATOM 0 H GLY A 62 -2.630 13.016 -5.154 1.00 6.22 H new ATOM 0 HA2 GLY A 62 -4.128 11.497 -6.455 1.00 6.69 H new ATOM 0 HA3 GLY A 62 -4.546 12.899 -7.420 1.00 6.69 H new ATOM 916 N PHE A 63 -1.789 13.203 -8.051 1.00 6.81 N ATOM 917 CA PHE A 63 -0.699 13.083 -9.024 1.00 7.27 C ATOM 918 C PHE A 63 0.566 12.479 -8.419 1.00 6.90 C ATOM 919 O PHE A 63 1.652 13.057 -8.498 1.00 7.34 O ATOM 920 CB PHE A 63 -0.389 14.444 -9.656 1.00 8.02 C ATOM 921 CG PHE A 63 -0.361 15.590 -8.682 1.00 7.85 C ATOM 922 CD1 PHE A 63 0.795 15.898 -7.979 1.00 8.09 C ATOM 923 CD2 PHE A 63 -1.495 16.358 -8.470 1.00 7.70 C ATOM 924 CE1 PHE A 63 0.816 16.950 -7.089 1.00 8.21 C ATOM 925 CE2 PHE A 63 -1.478 17.408 -7.581 1.00 7.74 C ATOM 926 CZ PHE A 63 -0.323 17.705 -6.889 1.00 8.00 C ATOM 0 H PHE A 63 -1.890 14.132 -7.642 1.00 6.81 H new ATOM 0 HA PHE A 63 -1.042 12.396 -9.798 1.00 7.27 H new ATOM 0 HB2 PHE A 63 0.577 14.386 -10.158 1.00 8.02 H new ATOM 0 HB3 PHE A 63 -1.135 14.653 -10.423 1.00 8.02 H new ATOM 0 HD1 PHE A 63 1.687 15.308 -8.131 1.00 8.09 H new ATOM 0 HD2 PHE A 63 -2.403 16.130 -9.009 1.00 7.70 H new ATOM 0 HE1 PHE A 63 1.722 17.184 -6.549 1.00 8.21 H new ATOM 0 HE2 PHE A 63 -2.368 17.999 -7.425 1.00 7.74 H new ATOM 0 HZ PHE A 63 -0.309 18.528 -6.190 1.00 8.00 H new ATOM 936 N ILE A 64 0.436 11.292 -7.846 1.00 6.31 N ATOM 937 CA ILE A 64 1.581 10.597 -7.280 1.00 6.14 C ATOM 938 C ILE A 64 2.329 9.850 -8.383 1.00 6.65 C ATOM 939 O ILE A 64 2.100 8.663 -8.613 1.00 6.98 O ATOM 940 CB ILE A 64 1.161 9.601 -6.170 1.00 5.61 C ATOM 941 CG1 ILE A 64 0.263 10.296 -5.138 1.00 5.10 C ATOM 942 CG2 ILE A 64 2.392 9.014 -5.494 1.00 5.86 C ATOM 943 CD1 ILE A 64 -0.292 9.359 -4.088 1.00 5.02 C ATOM 0 H ILE A 64 -0.449 10.791 -7.761 1.00 6.31 H new ATOM 0 HA ILE A 64 2.232 11.345 -6.828 1.00 6.14 H new ATOM 0 HB ILE A 64 0.596 8.789 -6.628 1.00 5.61 H new ATOM 0 HG12 ILE A 64 0.833 11.084 -4.645 1.00 5.10 H new ATOM 0 HG13 ILE A 64 -0.565 10.779 -5.656 1.00 5.10 H new ATOM 0 HG21 ILE A 64 2.082 8.316 -4.716 1.00 5.86 H new ATOM 0 HG22 ILE A 64 2.997 8.489 -6.233 1.00 5.86 H new ATOM 0 HG23 ILE A 64 2.980 9.816 -5.048 1.00 5.86 H new ATOM 0 HD11 ILE A 64 -0.917 9.920 -3.393 1.00 5.02 H new ATOM 0 HD12 ILE A 64 -0.890 8.585 -4.570 1.00 5.02 H new ATOM 0 HD13 ILE A 64 0.530 8.895 -3.543 1.00 5.02 H new ATOM 955 N HIS A 65 3.185 10.564 -9.106 1.00 6.99 N ATOM 956 CA HIS A 65 3.947 9.953 -10.188 1.00 7.71 C ATOM 957 C HIS A 65 5.384 9.678 -9.761 1.00 7.41 C ATOM 958 O HIS A 65 6.067 8.859 -10.371 1.00 7.99 O ATOM 959 CB HIS A 65 3.924 10.829 -11.444 1.00 8.57 C ATOM 960 CG HIS A 65 2.618 10.789 -12.185 1.00 9.17 C ATOM 961 ND1 HIS A 65 2.476 10.219 -13.433 1.00 9.64 N ATOM 962 CD2 HIS A 65 1.389 11.244 -11.840 1.00 9.60 C ATOM 963 CE1 HIS A 65 1.218 10.328 -13.821 1.00 10.31 C ATOM 964 NE2 HIS A 65 0.539 10.946 -12.873 1.00 10.28 N ATOM 0 H HIS A 65 3.367 11.557 -8.964 1.00 6.99 H new ATOM 0 HA HIS A 65 3.472 9.001 -10.426 1.00 7.71 H new ATOM 0 HB2 HIS A 65 4.140 11.859 -11.161 1.00 8.57 H new ATOM 0 HB3 HIS A 65 4.722 10.509 -12.114 1.00 8.57 H new ATOM 0 HD2 HIS A 65 1.128 11.748 -10.921 1.00 9.60 H new ATOM 0 HE1 HIS A 65 0.813 9.971 -14.757 1.00 10.31 H new ATOM 0 HE2 HIS A 65 -0.456 11.166 -12.904 1.00 10.28 H new ATOM 973 N THR A 66 5.833 10.400 -8.732 1.00 6.67 N ATOM 974 CA THR A 66 7.163 10.214 -8.120 1.00 6.47 C ATOM 975 C THR A 66 8.307 10.206 -9.143 1.00 6.60 C ATOM 976 O THR A 66 9.396 9.702 -8.862 1.00 6.62 O ATOM 977 CB THR A 66 7.234 8.931 -7.251 1.00 6.64 C ATOM 978 OG1 THR A 66 6.864 7.763 -8.002 1.00 7.18 O ATOM 979 CG2 THR A 66 6.334 9.060 -6.032 1.00 6.82 C ATOM 0 H THR A 66 5.284 11.138 -8.292 1.00 6.67 H new ATOM 0 HA THR A 66 7.299 11.084 -7.478 1.00 6.47 H new ATOM 0 HB THR A 66 8.268 8.816 -6.926 1.00 6.64 H new ATOM 0 HG1 THR A 66 6.921 6.972 -7.426 1.00 7.18 H new ATOM 0 HG21 THR A 66 6.397 8.150 -5.435 1.00 6.82 H new ATOM 0 HG22 THR A 66 6.655 9.911 -5.431 1.00 6.82 H new ATOM 0 HG23 THR A 66 5.304 9.211 -6.355 1.00 6.82 H new ATOM 987 N GLN A 67 8.081 10.817 -10.302 1.00 6.89 N ATOM 988 CA GLN A 67 9.096 10.864 -11.358 1.00 7.37 C ATOM 989 C GLN A 67 10.171 11.895 -11.024 1.00 7.24 C ATOM 990 O GLN A 67 11.189 12.002 -11.704 1.00 7.66 O ATOM 991 CB GLN A 67 8.450 11.199 -12.707 1.00 8.01 C ATOM 992 CG GLN A 67 7.376 10.207 -13.130 1.00 8.35 C ATOM 993 CD GLN A 67 7.914 8.806 -13.364 1.00 9.02 C ATOM 994 OE1 GLN A 67 8.325 8.465 -14.471 1.00 9.58 O ATOM 995 NE2 GLN A 67 7.900 7.977 -12.330 1.00 9.24 N ATOM 0 H GLN A 67 7.207 11.287 -10.537 1.00 6.89 H new ATOM 0 HA GLN A 67 9.563 9.882 -11.426 1.00 7.37 H new ATOM 0 HB2 GLN A 67 8.012 12.196 -12.653 1.00 8.01 H new ATOM 0 HB3 GLN A 67 9.224 11.232 -13.473 1.00 8.01 H new ATOM 0 HG2 GLN A 67 6.603 10.169 -12.362 1.00 8.35 H new ATOM 0 HG3 GLN A 67 6.900 10.564 -14.044 1.00 8.35 H new ATOM 0 HE21 GLN A 67 7.551 8.295 -11.426 1.00 9.24 H new ATOM 0 HE22 GLN A 67 8.238 7.021 -12.438 1.00 9.24 H new ATOM 1004 N TYR A 68 9.924 12.648 -9.965 1.00 6.89 N ATOM 1005 CA TYR A 68 10.857 13.661 -9.494 1.00 7.01 C ATOM 1006 C TYR A 68 11.829 13.040 -8.491 1.00 6.55 C ATOM 1007 O TYR A 68 12.896 13.586 -8.211 1.00 6.81 O ATOM 1008 CB TYR A 68 10.069 14.806 -8.840 1.00 7.18 C ATOM 1009 CG TYR A 68 10.838 16.102 -8.681 1.00 7.77 C ATOM 1010 CD1 TYR A 68 10.944 17.010 -9.732 1.00 8.17 C ATOM 1011 CD2 TYR A 68 11.466 16.414 -7.481 1.00 8.20 C ATOM 1012 CE1 TYR A 68 11.654 18.187 -9.586 1.00 8.94 C ATOM 1013 CE2 TYR A 68 12.178 17.588 -7.332 1.00 8.96 C ATOM 1014 CZ TYR A 68 12.233 18.493 -8.395 1.00 9.31 C ATOM 1015 OH TYR A 68 12.973 19.642 -8.235 1.00 10.22 O ATOM 0 H TYR A 68 9.073 12.575 -9.408 1.00 6.89 H new ATOM 0 HA TYR A 68 11.430 14.056 -10.333 1.00 7.01 H new ATOM 0 HB2 TYR A 68 9.177 15.001 -9.436 1.00 7.18 H new ATOM 0 HB3 TYR A 68 9.730 14.479 -7.857 1.00 7.18 H new ATOM 0 HD1 TYR A 68 10.464 16.791 -10.675 1.00 8.17 H new ATOM 0 HD2 TYR A 68 11.396 15.727 -6.651 1.00 8.20 H new ATOM 0 HE1 TYR A 68 11.749 18.866 -10.421 1.00 8.94 H new ATOM 0 HE2 TYR A 68 12.687 17.804 -6.404 1.00 8.96 H new ATOM 0 HH TYR A 68 13.307 19.691 -7.315 1.00 10.22 H new ATOM 1025 N GLY A 69 11.453 11.878 -7.970 1.00 6.15 N ATOM 1026 CA GLY A 69 12.248 11.218 -6.955 1.00 6.07 C ATOM 1027 C GLY A 69 13.006 10.022 -7.496 1.00 5.90 C ATOM 1028 O GLY A 69 12.707 8.884 -7.145 1.00 5.61 O ATOM 0 H GLY A 69 10.604 11.379 -8.236 1.00 6.15 H new ATOM 0 HA2 GLY A 69 12.956 11.931 -6.532 1.00 6.07 H new ATOM 0 HA3 GLY A 69 11.598 10.894 -6.143 1.00 6.07 H new ATOM 1032 N GLN A 70 13.975 10.278 -8.360 1.00 6.45 N ATOM 1033 CA GLN A 70 14.795 9.217 -8.929 1.00 6.69 C ATOM 1034 C GLN A 70 16.044 8.987 -8.088 1.00 6.71 C ATOM 1035 O GLN A 70 16.850 9.896 -7.897 1.00 7.25 O ATOM 1036 CB GLN A 70 15.185 9.562 -10.370 1.00 7.70 C ATOM 1037 CG GLN A 70 14.079 9.288 -11.371 1.00 8.32 C ATOM 1038 CD GLN A 70 13.848 7.802 -11.575 1.00 9.06 C ATOM 1039 OE1 GLN A 70 13.069 7.177 -10.856 1.00 9.52 O ATOM 1040 NE2 GLN A 70 14.517 7.230 -12.565 1.00 9.42 N ATOM 0 H GLN A 70 14.215 11.215 -8.685 1.00 6.45 H new ATOM 0 HA GLN A 70 14.209 8.298 -8.932 1.00 6.69 H new ATOM 0 HB2 GLN A 70 15.461 10.615 -10.423 1.00 7.70 H new ATOM 0 HB3 GLN A 70 16.068 8.987 -10.648 1.00 7.70 H new ATOM 0 HG2 GLN A 70 13.156 9.754 -11.027 1.00 8.32 H new ATOM 0 HG3 GLN A 70 14.332 9.749 -12.326 1.00 8.32 H new ATOM 0 HE21 GLN A 70 15.153 7.784 -13.138 1.00 9.42 H new ATOM 0 HE22 GLN A 70 14.396 6.235 -12.755 1.00 9.42 H new ATOM 1049 N LYS A 71 16.181 7.778 -7.564 1.00 6.35 N ATOM 1050 CA LYS A 71 17.369 7.402 -6.807 1.00 6.54 C ATOM 1051 C LYS A 71 17.948 6.087 -7.334 1.00 6.34 C ATOM 1052 O LYS A 71 17.649 5.004 -6.826 1.00 6.36 O ATOM 1053 CB LYS A 71 17.059 7.288 -5.307 1.00 6.82 C ATOM 1054 CG LYS A 71 15.888 6.370 -4.972 1.00 6.50 C ATOM 1055 CD LYS A 71 14.553 7.033 -5.254 1.00 6.36 C ATOM 1056 CE LYS A 71 14.268 8.141 -4.257 1.00 6.74 C ATOM 1057 NZ LYS A 71 14.286 7.649 -2.854 1.00 6.51 N ATOM 0 H LYS A 71 15.484 7.038 -7.649 1.00 6.35 H new ATOM 0 HA LYS A 71 18.112 8.188 -6.939 1.00 6.54 H new ATOM 0 HB2 LYS A 71 17.948 6.925 -4.792 1.00 6.82 H new ATOM 0 HB3 LYS A 71 16.848 8.283 -4.916 1.00 6.82 H new ATOM 0 HG2 LYS A 71 15.968 5.452 -5.554 1.00 6.50 H new ATOM 0 HG3 LYS A 71 15.938 6.086 -3.921 1.00 6.50 H new ATOM 0 HD2 LYS A 71 14.553 7.441 -6.265 1.00 6.36 H new ATOM 0 HD3 LYS A 71 13.758 6.288 -5.211 1.00 6.36 H new ATOM 0 HE2 LYS A 71 15.009 8.932 -4.373 1.00 6.74 H new ATOM 0 HE3 LYS A 71 13.295 8.582 -4.474 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 13.497 8.075 -2.327 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 14.188 6.614 -2.848 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 15.186 7.914 -2.405 1.00 6.51 H new ATOM 1071 N PRO A 72 18.772 6.161 -8.385 1.00 6.47 N ATOM 1072 CA PRO A 72 19.412 4.992 -8.986 1.00 6.58 C ATOM 1073 C PRO A 72 20.622 4.537 -8.171 1.00 6.47 C ATOM 1074 O PRO A 72 21.695 4.269 -8.716 1.00 6.74 O ATOM 1075 CB PRO A 72 19.848 5.496 -10.376 1.00 7.14 C ATOM 1076 CG PRO A 72 19.282 6.877 -10.499 1.00 7.24 C ATOM 1077 CD PRO A 72 19.142 7.382 -9.098 1.00 6.89 C ATOM 0 HA PRO A 72 18.748 4.128 -9.030 1.00 6.58 H new ATOM 0 HB2 PRO A 72 20.934 5.508 -10.466 1.00 7.14 H new ATOM 0 HB3 PRO A 72 19.470 4.846 -11.165 1.00 7.14 H new ATOM 0 HG2 PRO A 72 19.941 7.520 -11.083 1.00 7.24 H new ATOM 0 HG3 PRO A 72 18.318 6.862 -11.008 1.00 7.24 H new ATOM 0 HD2 PRO A 72 20.071 7.812 -8.722 1.00 6.89 H new ATOM 0 HD3 PRO A 72 18.377 8.154 -9.014 1.00 6.89 H new ATOM 1085 N GLU A 73 20.434 4.437 -6.860 1.00 6.33 N ATOM 1086 CA GLU A 73 21.515 4.090 -5.958 1.00 6.45 C ATOM 1087 C GLU A 73 21.683 2.584 -5.844 1.00 6.01 C ATOM 1088 O GLU A 73 20.741 1.850 -5.543 1.00 5.68 O ATOM 1089 CB GLU A 73 21.291 4.716 -4.573 1.00 6.92 C ATOM 1090 CG GLU A 73 19.970 4.340 -3.919 1.00 7.38 C ATOM 1091 CD GLU A 73 19.859 4.860 -2.501 1.00 7.92 C ATOM 1092 OE1 GLU A 73 20.313 4.165 -1.568 1.00 8.39 O ATOM 1093 OE2 GLU A 73 19.304 5.966 -2.320 1.00 8.11 O ATOM 0 H GLU A 73 19.537 4.593 -6.401 1.00 6.33 H new ATOM 0 HA GLU A 73 22.436 4.496 -6.376 1.00 6.45 H new ATOM 0 HB2 GLU A 73 22.107 4.415 -3.916 1.00 6.92 H new ATOM 0 HB3 GLU A 73 21.341 5.801 -4.666 1.00 6.92 H new ATOM 0 HG2 GLU A 73 19.147 4.737 -4.514 1.00 7.38 H new ATOM 0 HG3 GLU A 73 19.866 3.255 -3.914 1.00 7.38 H new ATOM 1100 N GLN A 74 22.889 2.129 -6.127 1.00 6.31 N ATOM 1101 CA GLN A 74 23.261 0.750 -5.896 1.00 6.22 C ATOM 1102 C GLN A 74 24.384 0.719 -4.875 1.00 6.34 C ATOM 1103 O GLN A 74 25.339 1.490 -4.989 1.00 6.32 O ATOM 1104 CB GLN A 74 23.697 0.058 -7.192 1.00 6.38 C ATOM 1105 CG GLN A 74 22.617 0.033 -8.262 1.00 6.83 C ATOM 1106 CD GLN A 74 23.015 -0.772 -9.487 1.00 7.20 C ATOM 1107 OE1 GLN A 74 23.762 -1.745 -9.392 1.00 7.16 O ATOM 1108 NE2 GLN A 74 22.519 -0.370 -10.650 1.00 7.82 N ATOM 0 H GLN A 74 23.634 2.703 -6.522 1.00 6.31 H new ATOM 0 HA GLN A 74 22.394 0.206 -5.520 1.00 6.22 H new ATOM 0 HB2 GLN A 74 24.577 0.566 -7.587 1.00 6.38 H new ATOM 0 HB3 GLN A 74 23.995 -0.965 -6.965 1.00 6.38 H new ATOM 0 HG2 GLN A 74 21.704 -0.386 -7.839 1.00 6.83 H new ATOM 0 HG3 GLN A 74 22.388 1.055 -8.564 1.00 6.83 H new ATOM 0 HE21 GLN A 74 21.903 0.442 -10.688 1.00 7.82 H new ATOM 0 HE22 GLN A 74 22.754 -0.873 -11.506 1.00 7.82 H new ATOM 1117 N PRO A 75 24.261 -0.139 -3.849 1.00 6.73 N ATOM 1118 CA PRO A 75 25.224 -0.239 -2.751 1.00 7.11 C ATOM 1119 C PRO A 75 26.679 -0.207 -3.220 1.00 7.12 C ATOM 1120 O PRO A 75 27.149 -1.099 -3.930 1.00 7.46 O ATOM 1121 CB PRO A 75 24.902 -1.590 -2.090 1.00 7.79 C ATOM 1122 CG PRO A 75 23.781 -2.190 -2.880 1.00 7.64 C ATOM 1123 CD PRO A 75 23.153 -1.077 -3.665 1.00 7.09 C ATOM 0 HA PRO A 75 25.133 0.611 -2.075 1.00 7.11 H new ATOM 0 HB2 PRO A 75 25.775 -2.243 -2.096 1.00 7.79 H new ATOM 0 HB3 PRO A 75 24.613 -1.454 -1.048 1.00 7.79 H new ATOM 0 HG2 PRO A 75 24.152 -2.969 -3.545 1.00 7.64 H new ATOM 0 HG3 PRO A 75 23.050 -2.656 -2.219 1.00 7.64 H new ATOM 0 HD2 PRO A 75 22.759 -1.428 -4.619 1.00 7.09 H new ATOM 0 HD3 PRO A 75 22.323 -0.621 -3.125 1.00 7.09 H new ATOM 1131 N SER A 76 27.378 0.846 -2.833 1.00 7.00 N ATOM 1132 CA SER A 76 28.774 1.007 -3.189 1.00 7.24 C ATOM 1133 C SER A 76 29.667 0.618 -2.019 1.00 7.24 C ATOM 1134 O SER A 76 29.456 1.063 -0.889 1.00 7.02 O ATOM 1135 CB SER A 76 29.033 2.452 -3.620 1.00 7.66 C ATOM 1136 OG SER A 76 28.434 3.371 -2.719 1.00 7.89 O ATOM 0 H SER A 76 26.997 1.606 -2.269 1.00 7.00 H new ATOM 0 HA SER A 76 29.010 0.348 -4.024 1.00 7.24 H new ATOM 0 HB2 SER A 76 30.107 2.633 -3.668 1.00 7.66 H new ATOM 0 HB3 SER A 76 28.638 2.612 -4.623 1.00 7.66 H new ATOM 0 HG SER A 76 28.592 3.076 -1.798 1.00 7.89 H new ATOM 1142 N GLY A 77 30.652 -0.220 -2.292 1.00 7.81 N ATOM 1143 CA GLY A 77 31.528 -0.695 -1.241 1.00 8.19 C ATOM 1144 C GLY A 77 32.896 -1.074 -1.761 1.00 8.67 C ATOM 1145 O GLY A 77 33.612 -0.223 -2.292 1.00 9.39 O ATOM 0 H GLY A 77 30.862 -0.581 -3.223 1.00 7.81 H new ATOM 0 HA2 GLY A 77 31.633 0.079 -0.481 1.00 8.19 H new ATOM 0 HA3 GLY A 77 31.074 -1.559 -0.756 1.00 8.19 H new ATOM 1149 N ALA A 78 33.241 -2.356 -1.614 1.00 8.46 N ATOM 1150 CA ALA A 78 34.539 -2.889 -2.035 1.00 9.08 C ATOM 1151 C ALA A 78 35.674 -2.290 -1.208 1.00 9.03 C ATOM 1152 O ALA A 78 36.056 -1.136 -1.410 1.00 8.98 O ATOM 1153 CB ALA A 78 34.771 -2.661 -3.525 1.00 9.36 C ATOM 0 H ALA A 78 32.626 -3.055 -1.198 1.00 8.46 H new ATOM 0 HA ALA A 78 34.528 -3.965 -1.859 1.00 9.08 H new ATOM 0 HB1 ALA A 78 35.742 -3.067 -3.808 1.00 9.36 H new ATOM 0 HB2 ALA A 78 33.988 -3.161 -4.096 1.00 9.36 H new ATOM 0 HB3 ALA A 78 34.749 -1.592 -3.737 1.00 9.36 H new ATOM 1159 N SER A 79 36.193 -3.088 -0.272 1.00 9.25 N ATOM 1160 CA SER A 79 37.259 -2.664 0.640 1.00 9.45 C ATOM 1161 C SER A 79 36.730 -1.697 1.701 1.00 9.58 C ATOM 1162 O SER A 79 35.794 -0.934 1.458 1.00 9.90 O ATOM 1163 CB SER A 79 38.426 -2.040 -0.133 1.00 9.59 C ATOM 1164 OG SER A 79 38.947 -2.955 -1.082 1.00 9.83 O ATOM 0 H SER A 79 35.885 -4.049 -0.124 1.00 9.25 H new ATOM 0 HA SER A 79 37.628 -3.552 1.153 1.00 9.45 H new ATOM 0 HB2 SER A 79 38.090 -1.135 -0.640 1.00 9.59 H new ATOM 0 HB3 SER A 79 39.211 -1.743 0.562 1.00 9.59 H new ATOM 0 HG SER A 79 39.690 -2.537 -1.566 1.00 9.83 H new ATOM 1170 N ALA A 80 37.350 -1.722 2.871 1.00 9.56 N ATOM 1171 CA ALA A 80 36.886 -0.926 3.997 1.00 9.88 C ATOM 1172 C ALA A 80 37.896 0.162 4.319 1.00 9.90 C ATOM 1173 O ALA A 80 38.435 0.225 5.430 1.00 10.21 O ATOM 1174 CB ALA A 80 36.642 -1.808 5.214 1.00 10.43 C ATOM 0 H ALA A 80 38.177 -2.286 3.066 1.00 9.56 H new ATOM 0 HA ALA A 80 35.941 -0.456 3.725 1.00 9.88 H new ATOM 0 HB1 ALA A 80 36.296 -1.194 6.045 1.00 10.43 H new ATOM 0 HB2 ALA A 80 35.886 -2.556 4.976 1.00 10.43 H new ATOM 0 HB3 ALA A 80 37.570 -2.307 5.494 1.00 10.43 H new ATOM 1180 N GLY A 81 38.151 1.017 3.337 1.00 9.80 N ATOM 1181 CA GLY A 81 39.184 2.015 3.478 1.00 10.04 C ATOM 1182 C GLY A 81 40.549 1.381 3.417 1.00 10.12 C ATOM 1183 O GLY A 81 41.151 1.268 2.353 1.00 10.38 O ATOM 0 H GLY A 81 37.657 1.034 2.445 1.00 9.80 H new ATOM 0 HA2 GLY A 81 39.088 2.759 2.688 1.00 10.04 H new ATOM 0 HA3 GLY A 81 39.063 2.539 4.426 1.00 10.04 H new ATOM 1187 N HIS A 82 41.003 0.937 4.578 1.00 10.09 N ATOM 1188 CA HIS A 82 42.278 0.250 4.747 1.00 10.32 C ATOM 1189 C HIS A 82 42.538 0.096 6.229 1.00 10.96 C ATOM 1190 O HIS A 82 43.150 -0.876 6.663 1.00 11.19 O ATOM 1191 CB HIS A 82 43.448 0.986 4.065 1.00 10.38 C ATOM 1192 CG HIS A 82 43.698 2.378 4.564 1.00 10.29 C ATOM 1193 ND1 HIS A 82 44.561 2.671 5.600 1.00 10.66 N ATOM 1194 CD2 HIS A 82 43.208 3.563 4.140 1.00 10.14 C ATOM 1195 CE1 HIS A 82 44.582 3.976 5.792 1.00 10.73 C ATOM 1196 NE2 HIS A 82 43.771 4.540 4.921 1.00 10.43 N ATOM 0 H HIS A 82 40.485 1.046 5.450 1.00 10.09 H new ATOM 0 HA HIS A 82 42.213 -0.724 4.262 1.00 10.32 H new ATOM 0 HB2 HIS A 82 44.356 0.399 4.202 1.00 10.38 H new ATOM 0 HB3 HIS A 82 43.255 1.030 2.993 1.00 10.38 H new ATOM 0 HD1 HIS A 82 45.098 1.987 6.133 1.00 10.66 H new ATOM 0 HD2 HIS A 82 42.504 3.713 3.335 1.00 10.14 H new ATOM 0 HE1 HIS A 82 45.166 4.495 6.538 1.00 10.73 H new ATOM 1205 N ARG A 83 42.042 1.068 6.996 1.00 11.41 N ATOM 1206 CA ARG A 83 42.113 1.038 8.452 1.00 12.20 C ATOM 1207 C ARG A 83 43.567 1.020 8.933 1.00 12.66 C ATOM 1208 O ARG A 83 44.498 1.196 8.141 1.00 12.79 O ATOM 1209 CB ARG A 83 41.336 -0.168 8.993 1.00 12.48 C ATOM 1210 CG ARG A 83 39.868 -0.201 8.577 1.00 12.24 C ATOM 1211 CD ARG A 83 39.128 1.065 8.984 1.00 12.18 C ATOM 1212 NE ARG A 83 38.975 1.184 10.432 1.00 12.92 N ATOM 1213 CZ ARG A 83 38.448 2.243 11.049 1.00 13.33 C ATOM 1214 NH1 ARG A 83 38.011 3.285 10.348 1.00 13.12 N ATOM 1215 NH2 ARG A 83 38.361 2.251 12.370 1.00 14.12 N ATOM 0 H ARG A 83 41.580 1.897 6.622 1.00 11.41 H new ATOM 0 HA ARG A 83 41.653 1.947 8.840 1.00 12.20 H new ATOM 0 HB2 ARG A 83 41.820 -1.082 8.650 1.00 12.48 H new ATOM 0 HB3 ARG A 83 41.394 -0.166 10.081 1.00 12.48 H new ATOM 0 HG2 ARG A 83 39.801 -0.328 7.496 1.00 12.24 H new ATOM 0 HG3 ARG A 83 39.383 -1.065 9.030 1.00 12.24 H new ATOM 0 HD2 ARG A 83 39.667 1.934 8.606 1.00 12.18 H new ATOM 0 HD3 ARG A 83 38.143 1.073 8.516 1.00 12.18 H new ATOM 0 HE ARG A 83 39.292 0.406 11.010 1.00 12.92 H new ATOM 0 HH11 ARG A 83 38.077 3.279 9.330 1.00 13.12 H new ATOM 0 HH12 ARG A 83 37.609 4.090 10.828 1.00 13.12 H new ATOM 0 HH21 ARG A 83 38.696 1.452 12.908 1.00 14.12 H new ATOM 0 HH22 ARG A 83 37.959 3.057 12.850 1.00 14.12 H new ATOM 1229 N PHE A 84 43.762 0.850 10.233 1.00 13.06 N ATOM 1230 CA PHE A 84 45.104 0.820 10.804 1.00 13.61 C ATOM 1231 C PHE A 84 45.266 -0.343 11.796 1.00 14.10 C ATOM 1232 O PHE A 84 46.222 -1.101 11.681 1.00 14.50 O ATOM 1233 CB PHE A 84 45.443 2.150 11.491 1.00 14.25 C ATOM 1234 CG PHE A 84 45.411 3.338 10.570 1.00 14.22 C ATOM 1235 CD1 PHE A 84 46.486 3.619 9.738 1.00 14.17 C ATOM 1236 CD2 PHE A 84 44.299 4.169 10.527 1.00 14.39 C ATOM 1237 CE1 PHE A 84 46.453 4.708 8.889 1.00 14.34 C ATOM 1238 CE2 PHE A 84 44.265 5.258 9.679 1.00 14.57 C ATOM 1239 CZ PHE A 84 45.340 5.524 8.858 1.00 14.57 C ATOM 0 H PHE A 84 43.011 0.731 10.912 1.00 13.06 H new ATOM 0 HA PHE A 84 45.801 0.667 9.980 1.00 13.61 H new ATOM 0 HB2 PHE A 84 44.739 2.316 12.306 1.00 14.25 H new ATOM 0 HB3 PHE A 84 46.435 2.075 11.937 1.00 14.25 H new ATOM 0 HD1 PHE A 84 47.357 2.980 9.755 1.00 14.17 H new ATOM 0 HD2 PHE A 84 43.452 3.961 11.164 1.00 14.39 H new ATOM 0 HE1 PHE A 84 47.297 4.921 8.250 1.00 14.34 H new ATOM 0 HE2 PHE A 84 43.397 5.901 9.659 1.00 14.57 H new ATOM 0 HZ PHE A 84 45.311 6.372 8.190 1.00 14.57 H new ATOM 1249 N PRO A 85 44.345 -0.483 12.793 1.00 14.25 N ATOM 1250 CA PRO A 85 44.327 -1.578 13.790 1.00 14.89 C ATOM 1251 C PRO A 85 44.820 -2.952 13.312 1.00 14.90 C ATOM 1252 O PRO A 85 45.319 -3.737 14.115 1.00 15.47 O ATOM 1253 CB PRO A 85 42.850 -1.656 14.147 1.00 14.92 C ATOM 1254 CG PRO A 85 42.387 -0.246 14.099 1.00 14.53 C ATOM 1255 CD PRO A 85 43.260 0.472 13.097 1.00 14.02 C ATOM 0 HA PRO A 85 45.018 -1.354 14.603 1.00 14.89 H new ATOM 0 HB2 PRO A 85 42.302 -2.279 13.440 1.00 14.92 H new ATOM 0 HB3 PRO A 85 42.702 -2.090 15.136 1.00 14.92 H new ATOM 0 HG2 PRO A 85 41.339 -0.194 13.804 1.00 14.53 H new ATOM 0 HG3 PRO A 85 42.465 0.219 15.082 1.00 14.53 H new ATOM 0 HD2 PRO A 85 42.700 0.734 12.199 1.00 14.02 H new ATOM 0 HD3 PRO A 85 43.654 1.401 13.509 1.00 14.02 H new ATOM 1263 N GLN A 86 44.689 -3.248 12.026 1.00 14.42 N ATOM 1264 CA GLN A 86 45.121 -4.543 11.488 1.00 14.58 C ATOM 1265 C GLN A 86 46.653 -4.664 11.420 1.00 14.98 C ATOM 1266 O GLN A 86 47.185 -5.607 10.832 1.00 15.51 O ATOM 1267 CB GLN A 86 44.523 -4.774 10.099 1.00 13.80 C ATOM 1268 CG GLN A 86 44.780 -3.643 9.116 1.00 13.24 C ATOM 1269 CD GLN A 86 44.385 -4.004 7.694 1.00 12.42 C ATOM 1270 OE1 GLN A 86 45.197 -4.513 6.916 1.00 12.34 O ATOM 1271 NE2 GLN A 86 43.132 -3.754 7.344 1.00 11.97 N ATOM 0 H GLN A 86 44.289 -2.615 11.333 1.00 14.42 H new ATOM 0 HA GLN A 86 44.757 -5.308 12.174 1.00 14.58 H new ATOM 0 HB2 GLN A 86 44.931 -5.697 9.688 1.00 13.80 H new ATOM 0 HB3 GLN A 86 43.447 -4.918 10.198 1.00 13.80 H new ATOM 0 HG2 GLN A 86 44.224 -2.760 9.431 1.00 13.24 H new ATOM 0 HG3 GLN A 86 45.837 -3.379 9.140 1.00 13.24 H new ATOM 0 HE21 GLN A 86 42.490 -3.332 8.015 1.00 11.97 H new ATOM 0 HE22 GLN A 86 42.810 -3.983 6.404 1.00 11.97 H new ATOM 1280 N GLY A 87 47.340 -3.710 12.027 1.00 14.85 N ATOM 1281 CA GLY A 87 48.792 -3.734 12.084 1.00 15.28 C ATOM 1282 C GLY A 87 49.348 -2.528 12.814 1.00 15.54 C ATOM 1283 O GLY A 87 50.415 -2.600 13.429 1.00 16.04 O ATOM 0 H GLY A 87 46.913 -2.907 12.489 1.00 14.85 H new ATOM 0 HA2 GLY A 87 49.121 -4.645 12.584 1.00 15.28 H new ATOM 0 HA3 GLY A 87 49.195 -3.763 11.072 1.00 15.28 H new ATOM 1287 N TYR A 88 48.603 -1.420 12.735 1.00 15.34 N ATOM 1288 CA TYR A 88 48.950 -0.138 13.371 1.00 15.74 C ATOM 1289 C TYR A 88 50.169 0.498 12.701 1.00 16.38 C ATOM 1290 O TYR A 88 50.082 1.590 12.134 1.00 16.65 O ATOM 1291 CB TYR A 88 49.185 -0.297 14.878 1.00 15.89 C ATOM 1292 CG TYR A 88 47.986 -0.795 15.658 1.00 16.18 C ATOM 1293 CD1 TYR A 88 46.954 0.063 16.008 1.00 16.39 C ATOM 1294 CD2 TYR A 88 47.887 -2.129 16.036 1.00 16.39 C ATOM 1295 CE1 TYR A 88 45.849 -0.394 16.704 1.00 16.82 C ATOM 1296 CE2 TYR A 88 46.785 -2.596 16.726 1.00 16.82 C ATOM 1297 CZ TYR A 88 45.795 -1.698 17.118 1.00 17.05 C ATOM 1298 OH TYR A 88 44.671 -2.187 17.757 1.00 17.61 O ATOM 0 H TYR A 88 47.724 -1.385 12.218 1.00 15.34 H new ATOM 0 HA TYR A 88 48.098 0.528 13.236 1.00 15.74 H new ATOM 0 HB2 TYR A 88 50.013 -0.989 15.031 1.00 15.89 H new ATOM 0 HB3 TYR A 88 49.493 0.665 15.287 1.00 15.89 H new ATOM 0 HD1 TYR A 88 47.014 1.106 15.733 1.00 16.39 H new ATOM 0 HD2 TYR A 88 48.685 -2.812 15.786 1.00 16.39 H new ATOM 0 HE1 TYR A 88 45.031 0.277 16.920 1.00 16.82 H new ATOM 0 HE2 TYR A 88 46.692 -3.646 16.959 1.00 16.82 H new ATOM 0 HH TYR A 88 44.806 -3.132 17.979 1.00 17.61 H new ATOM 1308 N HIS A 89 51.295 -0.193 12.768 1.00 16.74 N ATOM 1309 CA HIS A 89 52.514 0.234 12.093 1.00 17.45 C ATOM 1310 C HIS A 89 53.108 -0.953 11.342 1.00 17.29 C ATOM 1311 O HIS A 89 54.323 -1.056 11.174 1.00 17.63 O ATOM 1312 CB HIS A 89 53.534 0.828 13.090 1.00 18.42 C ATOM 1313 CG HIS A 89 53.954 -0.087 14.210 1.00 18.85 C ATOM 1314 ND1 HIS A 89 53.399 -0.041 15.470 1.00 19.52 N ATOM 1315 CD2 HIS A 89 54.903 -1.053 14.260 1.00 18.83 C ATOM 1316 CE1 HIS A 89 53.987 -0.933 16.246 1.00 19.89 C ATOM 1317 NE2 HIS A 89 54.901 -1.564 15.534 1.00 19.49 N ATOM 0 H HIS A 89 51.392 -1.064 13.290 1.00 16.74 H new ATOM 0 HA HIS A 89 52.269 1.025 11.384 1.00 17.45 H new ATOM 0 HB2 HIS A 89 54.424 1.129 12.537 1.00 18.42 H new ATOM 0 HB3 HIS A 89 53.107 1.733 13.524 1.00 18.42 H new ATOM 0 HD2 HIS A 89 55.543 -1.364 13.447 1.00 18.83 H new ATOM 0 HE1 HIS A 89 53.759 -1.115 17.286 1.00 19.89 H new ATOM 0 HE2 HIS A 89 55.507 -2.310 15.875 1.00 19.49 H new ATOM 1326 N SER A 90 52.211 -1.831 10.884 1.00 16.89 N ATOM 1327 CA SER A 90 52.563 -3.087 10.220 1.00 16.87 C ATOM 1328 C SER A 90 53.180 -4.065 11.216 1.00 17.40 C ATOM 1329 O SER A 90 52.532 -5.030 11.614 1.00 17.57 O ATOM 1330 CB SER A 90 53.491 -2.831 9.028 1.00 16.22 C ATOM 1331 OG SER A 90 52.858 -1.976 8.091 1.00 16.09 O ATOM 0 H SER A 90 51.205 -1.686 10.966 1.00 16.89 H new ATOM 0 HA SER A 90 51.652 -3.542 9.831 1.00 16.87 H new ATOM 0 HB2 SER A 90 54.422 -2.380 9.372 1.00 16.22 H new ATOM 0 HB3 SER A 90 53.752 -3.776 8.551 1.00 16.22 H new ATOM 0 HG SER A 90 53.460 -1.817 7.334 1.00 16.09 H new ATOM 1337 N ASP A 91 54.411 -3.780 11.628 1.00 17.78 N ATOM 1338 CA ASP A 91 55.124 -4.565 12.639 1.00 18.42 C ATOM 1339 C ASP A 91 55.355 -6.007 12.164 1.00 18.69 C ATOM 1340 O ASP A 91 56.395 -6.279 11.565 1.00 19.21 O ATOM 1341 CB ASP A 91 54.377 -4.507 13.989 1.00 19.03 C ATOM 1342 CG ASP A 91 55.194 -5.027 15.154 1.00 19.61 C ATOM 1343 OD1 ASP A 91 55.281 -6.259 15.335 1.00 20.11 O ATOM 1344 OD2 ASP A 91 55.721 -4.193 15.924 1.00 19.68 O ATOM 0 H ASP A 91 54.949 -2.992 11.269 1.00 17.78 H new ATOM 0 HA ASP A 91 56.110 -4.125 12.789 1.00 18.42 H new ATOM 0 HB2 ASP A 91 54.087 -3.476 14.191 1.00 19.03 H new ATOM 0 HB3 ASP A 91 53.458 -5.088 13.912 1.00 19.03 H new ATOM 1349 N LYS A 92 54.365 -6.892 12.386 1.00 18.45 N ATOM 1350 CA LYS A 92 54.398 -8.298 11.945 1.00 18.78 C ATOM 1351 C LYS A 92 55.792 -8.918 11.974 1.00 19.35 C ATOM 1352 O LYS A 92 56.451 -9.068 10.946 1.00 19.92 O ATOM 1353 CB LYS A 92 53.757 -8.441 10.559 1.00 18.38 C ATOM 1354 CG LYS A 92 54.240 -7.411 9.557 1.00 18.13 C ATOM 1355 CD LYS A 92 53.427 -7.434 8.281 1.00 18.03 C ATOM 1356 CE LYS A 92 53.731 -6.213 7.437 1.00 17.98 C ATOM 1357 NZ LYS A 92 52.932 -6.180 6.184 1.00 17.78 N ATOM 0 H LYS A 92 53.509 -6.647 12.883 1.00 18.45 H new ATOM 0 HA LYS A 92 53.811 -8.861 12.671 1.00 18.78 H new ATOM 0 HB2 LYS A 92 53.967 -9.438 10.172 1.00 18.38 H new ATOM 0 HB3 LYS A 92 52.675 -8.359 10.658 1.00 18.38 H new ATOM 0 HG2 LYS A 92 54.185 -6.418 10.003 1.00 18.13 H new ATOM 0 HG3 LYS A 92 55.288 -7.598 9.322 1.00 18.13 H new ATOM 0 HD2 LYS A 92 53.651 -8.339 7.716 1.00 18.03 H new ATOM 0 HD3 LYS A 92 52.364 -7.463 8.520 1.00 18.03 H new ATOM 0 HE2 LYS A 92 53.529 -5.313 8.018 1.00 17.98 H new ATOM 0 HE3 LYS A 92 54.792 -6.201 7.189 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 53.174 -5.327 5.640 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 53.143 -7.025 5.615 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 51.919 -6.165 6.419 1.00 17.78 H new ATOM 1371 N ARG A 93 56.238 -9.273 13.169 1.00 19.31 N ATOM 1372 CA ARG A 93 57.558 -9.857 13.343 1.00 19.91 C ATOM 1373 C ARG A 93 57.482 -11.196 14.057 1.00 20.36 C ATOM 1374 O ARG A 93 57.121 -11.263 15.232 1.00 20.53 O ATOM 1375 CB ARG A 93 58.476 -8.914 14.130 1.00 20.42 C ATOM 1376 CG ARG A 93 58.761 -7.606 13.418 1.00 20.25 C ATOM 1377 CD ARG A 93 59.259 -7.852 12.000 1.00 20.24 C ATOM 1378 NE ARG A 93 60.453 -8.700 11.969 1.00 20.81 N ATOM 1379 CZ ARG A 93 61.043 -9.118 10.843 1.00 21.12 C ATOM 1380 NH1 ARG A 93 60.574 -8.756 9.652 1.00 20.91 N ATOM 1381 NH2 ARG A 93 62.104 -9.912 10.911 1.00 21.73 N ATOM 0 H ARG A 93 55.705 -9.167 14.032 1.00 19.31 H new ATOM 0 HA ARG A 93 57.972 -10.013 12.347 1.00 19.91 H new ATOM 0 HB2 ARG A 93 58.019 -8.699 15.096 1.00 20.42 H new ATOM 0 HB3 ARG A 93 59.420 -9.422 14.329 1.00 20.42 H new ATOM 0 HG2 ARG A 93 57.856 -6.999 13.389 1.00 20.25 H new ATOM 0 HG3 ARG A 93 59.507 -7.040 13.976 1.00 20.25 H new ATOM 0 HD2 ARG A 93 58.468 -8.321 11.416 1.00 20.24 H new ATOM 0 HD3 ARG A 93 59.482 -6.897 11.525 1.00 20.24 H new ATOM 0 HE ARG A 93 60.859 -8.989 12.859 1.00 20.81 H new ATOM 0 HH11 ARG A 93 59.754 -8.152 9.589 1.00 20.91 H new ATOM 0 HH12 ARG A 93 61.034 -9.082 8.802 1.00 20.91 H new ATOM 0 HH21 ARG A 93 62.467 -10.202 11.819 1.00 21.73 H new ATOM 0 HH22 ARG A 93 62.557 -10.233 10.055 1.00 21.73 H new ATOM 1395 N ARG A 94 57.786 -12.265 13.330 1.00 20.65 N ATOM 1396 CA ARG A 94 57.954 -13.577 13.946 1.00 21.26 C ATOM 1397 C ARG A 94 59.287 -13.621 14.669 1.00 22.10 C ATOM 1398 O ARG A 94 59.348 -13.767 15.888 1.00 22.42 O ATOM 1399 CB ARG A 94 57.927 -14.691 12.900 1.00 21.34 C ATOM 1400 CG ARG A 94 58.172 -16.078 13.486 1.00 21.30 C ATOM 1401 CD ARG A 94 58.341 -17.121 12.402 1.00 21.28 C ATOM 1402 NE ARG A 94 59.095 -18.272 12.893 1.00 21.49 N ATOM 1403 CZ ARG A 94 59.308 -19.385 12.194 1.00 21.68 C ATOM 1404 NH1 ARG A 94 58.730 -19.559 11.012 1.00 21.65 N ATOM 1405 NH2 ARG A 94 60.095 -20.336 12.682 1.00 21.99 N ATOM 0 H ARG A 94 57.921 -12.250 12.319 1.00 20.65 H new ATOM 0 HA ARG A 94 57.130 -13.733 14.642 1.00 21.26 H new ATOM 0 HB2 ARG A 94 56.960 -14.683 12.396 1.00 21.34 H new ATOM 0 HB3 ARG A 94 58.683 -14.486 12.142 1.00 21.34 H new ATOM 0 HG2 ARG A 94 59.064 -16.056 14.112 1.00 21.30 H new ATOM 0 HG3 ARG A 94 57.337 -16.354 14.130 1.00 21.30 H new ATOM 0 HD2 ARG A 94 57.362 -17.447 12.051 1.00 21.28 H new ATOM 0 HD3 ARG A 94 58.857 -16.682 11.548 1.00 21.28 H new ATOM 0 HE ARG A 94 59.484 -18.219 13.834 1.00 21.49 H new ATOM 0 HH11 ARG A 94 58.117 -18.837 10.633 1.00 21.65 H new ATOM 0 HH12 ARG A 94 58.898 -20.415 10.483 1.00 21.65 H new ATOM 0 HH21 ARG A 94 60.537 -20.214 13.593 1.00 21.99 H new ATOM 0 HH22 ARG A 94 60.258 -21.188 12.146 1.00 21.99 H new ATOM 1419 N LEU A 95 60.355 -13.490 13.892 1.00 22.55 N ATOM 1420 CA LEU A 95 61.696 -13.509 14.430 1.00 23.45 C ATOM 1421 C LEU A 95 62.412 -12.200 14.127 1.00 24.13 C ATOM 1422 O LEU A 95 62.550 -11.789 12.975 1.00 24.69 O ATOM 1423 CB LEU A 95 62.489 -14.724 13.909 1.00 23.73 C ATOM 1424 CG LEU A 95 62.208 -15.174 12.465 1.00 23.32 C ATOM 1425 CD1 LEU A 95 62.925 -14.281 11.459 1.00 23.09 C ATOM 1426 CD2 LEU A 95 62.619 -16.628 12.281 1.00 23.46 C ATOM 0 H LEU A 95 60.310 -13.369 12.880 1.00 22.55 H new ATOM 0 HA LEU A 95 61.628 -13.610 15.513 1.00 23.45 H new ATOM 0 HB2 LEU A 95 63.552 -14.496 13.992 1.00 23.73 H new ATOM 0 HB3 LEU A 95 62.291 -15.567 14.571 1.00 23.73 H new ATOM 0 HG LEU A 95 61.137 -15.085 12.282 1.00 23.32 H new ATOM 0 HD11 LEU A 95 62.707 -14.624 10.448 1.00 23.09 H new ATOM 0 HD12 LEU A 95 62.582 -13.253 11.575 1.00 23.09 H new ATOM 0 HD13 LEU A 95 64.000 -14.326 11.634 1.00 23.09 H new ATOM 0 HD21 LEU A 95 62.416 -16.937 11.256 1.00 23.46 H new ATOM 0 HD22 LEU A 95 63.684 -16.734 12.488 1.00 23.46 H new ATOM 0 HD23 LEU A 95 62.052 -17.256 12.968 1.00 23.46 H new ATOM 1438 N SER A 96 62.821 -11.526 15.179 1.00 24.14 N ATOM 1439 CA SER A 96 63.578 -10.295 15.055 1.00 24.84 C ATOM 1440 C SER A 96 65.055 -10.573 15.291 1.00 25.65 C ATOM 1441 O SER A 96 65.912 -9.722 15.049 1.00 26.06 O ATOM 1442 CB SER A 96 63.052 -9.262 16.047 1.00 25.35 C ATOM 1443 OG SER A 96 61.655 -9.080 15.872 1.00 25.01 O ATOM 0 H SER A 96 62.641 -11.812 16.141 1.00 24.14 H new ATOM 0 HA SER A 96 63.460 -9.894 14.048 1.00 24.84 H new ATOM 0 HB2 SER A 96 63.259 -9.588 17.066 1.00 25.35 H new ATOM 0 HB3 SER A 96 63.570 -8.314 15.905 1.00 25.35 H new ATOM 0 HG SER A 96 61.328 -8.416 16.515 1.00 25.01 H new ATOM 1449 N LYS A 97 65.341 -11.780 15.771 1.00 25.95 N ATOM 1450 CA LYS A 97 66.715 -12.236 15.933 1.00 26.80 C ATOM 1451 C LYS A 97 67.288 -12.686 14.596 1.00 26.62 C ATOM 1452 O LYS A 97 68.468 -12.471 14.324 1.00 27.28 O ATOM 1453 CB LYS A 97 66.790 -13.386 16.941 1.00 27.31 C ATOM 1454 CG LYS A 97 65.850 -14.538 16.633 1.00 27.15 C ATOM 1455 CD LYS A 97 66.060 -15.700 17.591 1.00 27.42 C ATOM 1456 CE LYS A 97 67.443 -16.324 17.432 1.00 27.89 C ATOM 1457 NZ LYS A 97 67.642 -17.502 18.324 1.00 28.52 N ATOM 0 H LYS A 97 64.636 -12.460 16.055 1.00 25.95 H new ATOM 0 HA LYS A 97 67.305 -11.400 16.310 1.00 26.80 H new ATOM 0 HB2 LYS A 97 67.812 -13.763 16.972 1.00 27.31 H new ATOM 0 HB3 LYS A 97 66.562 -13.000 17.935 1.00 27.31 H new ATOM 0 HG2 LYS A 97 64.818 -14.194 16.698 1.00 27.15 H new ATOM 0 HG3 LYS A 97 66.010 -14.876 15.609 1.00 27.15 H new ATOM 0 HD2 LYS A 97 65.934 -15.353 18.616 1.00 27.42 H new ATOM 0 HD3 LYS A 97 65.297 -16.458 17.415 1.00 27.42 H new ATOM 0 HE2 LYS A 97 67.584 -16.629 16.395 1.00 27.89 H new ATOM 0 HE3 LYS A 97 68.204 -15.574 17.650 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 68.596 -17.890 18.179 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 67.535 -17.208 19.316 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 66.934 -18.230 18.100 1.00 28.52 H new ATOM 1471 N ALA A 98 66.430 -13.302 13.773 1.00 25.81 N ATOM 1472 CA ALA A 98 66.809 -13.807 12.451 1.00 25.63 C ATOM 1473 C ALA A 98 67.853 -14.915 12.553 1.00 26.23 C ATOM 1474 O ALA A 98 69.045 -14.657 12.717 1.00 26.50 O ATOM 1475 CB ALA A 98 67.299 -12.683 11.541 1.00 25.39 C ATOM 0 H ALA A 98 65.451 -13.464 14.008 1.00 25.81 H new ATOM 0 HA ALA A 98 65.912 -14.233 12.002 1.00 25.63 H new ATOM 0 HB1 ALA A 98 67.571 -13.094 10.569 1.00 25.39 H new ATOM 0 HB2 ALA A 98 66.506 -11.946 11.414 1.00 25.39 H new ATOM 0 HB3 ALA A 98 68.170 -12.205 11.990 1.00 25.39 H new ATOM 1481 N SER A 99 67.393 -16.155 12.466 1.00 26.50 N ATOM 1482 CA SER A 99 68.283 -17.302 12.513 1.00 27.15 C ATOM 1483 C SER A 99 69.106 -17.379 11.226 1.00 27.64 C ATOM 1484 O SER A 99 70.333 -17.445 11.272 1.00 28.00 O ATOM 1485 CB SER A 99 67.474 -18.586 12.699 1.00 27.13 C ATOM 1486 OG SER A 99 66.571 -18.468 13.785 1.00 26.99 O ATOM 0 H SER A 99 66.406 -16.391 12.362 1.00 26.50 H new ATOM 0 HA SER A 99 68.962 -17.189 13.358 1.00 27.15 H new ATOM 0 HB2 SER A 99 66.922 -18.807 11.786 1.00 27.13 H new ATOM 0 HB3 SER A 99 68.150 -19.423 12.873 1.00 27.13 H new ATOM 0 HG SER A 99 66.065 -19.302 13.882 1.00 26.99 H new ATOM 1492 N SER A 100 68.402 -17.366 10.087 1.00 27.71 N ATOM 1493 CA SER A 100 69.029 -17.375 8.764 1.00 28.26 C ATOM 1494 C SER A 100 70.031 -18.520 8.612 1.00 28.98 C ATOM 1495 O SER A 100 71.227 -18.359 8.846 1.00 29.38 O ATOM 1496 CB SER A 100 69.691 -16.025 8.488 1.00 28.27 C ATOM 1497 OG SER A 100 68.720 -14.986 8.475 1.00 28.11 O ATOM 0 H SER A 100 67.383 -17.349 10.059 1.00 27.71 H new ATOM 0 HA SER A 100 68.246 -17.542 8.024 1.00 28.26 H new ATOM 0 HB2 SER A 100 70.442 -15.819 9.251 1.00 28.27 H new ATOM 0 HB3 SER A 100 70.210 -16.057 7.530 1.00 28.27 H new ATOM 0 HG SER A 100 69.079 -14.208 7.999 1.00 28.11 H new ATOM 1503 N LYS A 101 69.533 -19.682 8.218 1.00 29.21 N ATOM 1504 CA LYS A 101 70.377 -20.862 8.083 1.00 29.94 C ATOM 1505 C LYS A 101 71.189 -20.790 6.795 1.00 30.44 C ATOM 1506 O LYS A 101 72.393 -21.051 6.790 1.00 31.19 O ATOM 1507 CB LYS A 101 69.539 -22.151 8.102 1.00 30.31 C ATOM 1508 CG LYS A 101 68.872 -22.449 9.441 1.00 30.08 C ATOM 1509 CD LYS A 101 67.570 -21.683 9.621 1.00 30.22 C ATOM 1510 CE LYS A 101 66.526 -22.139 8.615 1.00 30.12 C ATOM 1511 NZ LYS A 101 65.199 -21.520 8.857 1.00 30.42 N ATOM 0 H LYS A 101 68.551 -19.834 7.986 1.00 29.21 H new ATOM 0 HA LYS A 101 71.057 -20.884 8.934 1.00 29.94 H new ATOM 0 HB2 LYS A 101 68.769 -22.081 7.334 1.00 30.31 H new ATOM 0 HB3 LYS A 101 70.180 -22.991 7.834 1.00 30.31 H new ATOM 0 HG2 LYS A 101 68.675 -23.518 9.516 1.00 30.08 H new ATOM 0 HG3 LYS A 101 69.556 -22.193 10.250 1.00 30.08 H new ATOM 0 HD2 LYS A 101 67.194 -21.831 10.633 1.00 30.22 H new ATOM 0 HD3 LYS A 101 67.753 -20.615 9.502 1.00 30.22 H new ATOM 0 HE2 LYS A 101 66.862 -21.890 7.608 1.00 30.12 H new ATOM 0 HE3 LYS A 101 66.431 -23.224 8.660 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 64.522 -21.862 8.146 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 64.864 -21.778 9.807 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 65.281 -20.486 8.788 1.00 30.42 H new ATOM 1525 N ALA A 102 70.532 -20.411 5.710 1.00 30.08 N ATOM 1526 CA ALA A 102 71.197 -20.322 4.414 1.00 30.58 C ATOM 1527 C ALA A 102 71.586 -18.883 4.096 1.00 30.59 C ATOM 1528 O ALA A 102 71.958 -18.565 2.966 1.00 30.68 O ATOM 1529 CB ALA A 102 70.294 -20.878 3.322 1.00 30.57 C ATOM 0 H ALA A 102 69.543 -20.161 5.698 1.00 30.08 H new ATOM 0 HA ALA A 102 72.109 -20.917 4.458 1.00 30.58 H new ATOM 0 HB1 ALA A 102 70.801 -20.806 2.360 1.00 30.57 H new ATOM 0 HB2 ALA A 102 70.066 -21.922 3.535 1.00 30.57 H new ATOM 0 HB3 ALA A 102 69.368 -20.304 3.288 1.00 30.57 H new ATOM 1535 N ARG A 103 71.508 -18.025 5.112 1.00 30.57 N ATOM 1536 CA ARG A 103 71.769 -16.592 4.959 1.00 30.65 C ATOM 1537 C ARG A 103 70.774 -15.966 3.984 1.00 30.77 C ATOM 1538 O ARG A 103 69.827 -16.614 3.543 1.00 30.46 O ATOM 1539 CB ARG A 103 73.191 -16.317 4.452 1.00 31.34 C ATOM 1540 CG ARG A 103 74.294 -16.908 5.305 1.00 31.28 C ATOM 1541 CD ARG A 103 75.665 -16.463 4.810 1.00 31.10 C ATOM 1542 NE ARG A 103 75.827 -16.665 3.364 1.00 31.07 N ATOM 1543 CZ ARG A 103 76.969 -16.470 2.705 1.00 31.03 C ATOM 1544 NH1 ARG A 103 78.075 -16.137 3.361 1.00 31.01 N ATOM 1545 NH2 ARG A 103 77.008 -16.637 1.390 1.00 31.09 N ATOM 0 H ARG A 103 71.263 -18.301 6.063 1.00 30.57 H new ATOM 0 HA ARG A 103 71.658 -16.147 5.948 1.00 30.65 H new ATOM 0 HB2 ARG A 103 73.283 -16.710 3.440 1.00 31.34 H new ATOM 0 HB3 ARG A 103 73.337 -15.239 4.389 1.00 31.34 H new ATOM 0 HG2 ARG A 103 74.161 -16.601 6.342 1.00 31.28 H new ATOM 0 HG3 ARG A 103 74.231 -17.996 5.284 1.00 31.28 H new ATOM 0 HD2 ARG A 103 75.810 -15.409 5.046 1.00 31.10 H new ATOM 0 HD3 ARG A 103 76.438 -17.018 5.341 1.00 31.10 H new ATOM 0 HE ARG A 103 75.014 -16.974 2.831 1.00 31.07 H new ATOM 0 HH11 ARG A 103 78.054 -16.029 4.375 1.00 31.01 H new ATOM 0 HH12 ARG A 103 78.946 -15.989 2.851 1.00 31.01 H new ATOM 0 HH21 ARG A 103 76.166 -16.914 0.886 1.00 31.09 H new ATOM 0 HH22 ARG A 103 77.880 -16.489 0.883 1.00 31.09 H new ATOM 1559 N SER A 104 70.974 -14.699 3.685 1.00 31.30 N ATOM 1560 CA SER A 104 70.230 -14.042 2.629 1.00 31.63 C ATOM 1561 C SER A 104 71.138 -13.847 1.419 1.00 32.26 C ATOM 1562 O SER A 104 70.680 -13.533 0.314 1.00 32.63 O ATOM 1563 CB SER A 104 69.708 -12.698 3.127 1.00 31.49 C ATOM 1564 OG SER A 104 69.065 -12.848 4.383 1.00 31.60 O ATOM 0 H SER A 104 71.649 -14.101 4.161 1.00 31.30 H new ATOM 0 HA SER A 104 69.379 -14.659 2.338 1.00 31.63 H new ATOM 0 HB2 SER A 104 70.533 -11.992 3.217 1.00 31.49 H new ATOM 0 HB3 SER A 104 69.009 -12.281 2.402 1.00 31.49 H new ATOM 0 HG SER A 104 68.738 -11.976 4.689 1.00 31.60 H new ATOM 1570 N ASP A 105 72.440 -14.036 1.659 1.00 32.44 N ATOM 1571 CA ASP A 105 73.482 -13.886 0.640 1.00 33.10 C ATOM 1572 C ASP A 105 73.541 -12.461 0.094 1.00 33.71 C ATOM 1573 O ASP A 105 74.106 -12.214 -0.967 1.00 33.79 O ATOM 1574 CB ASP A 105 73.297 -14.900 -0.494 1.00 32.92 C ATOM 1575 CG ASP A 105 74.331 -16.008 -0.451 1.00 33.34 C ATOM 1576 OD1 ASP A 105 74.257 -16.874 0.448 1.00 33.43 O ATOM 1577 OD2 ASP A 105 75.231 -16.020 -1.315 1.00 33.66 O ATOM 0 H ASP A 105 72.803 -14.300 2.575 1.00 32.44 H new ATOM 0 HA ASP A 105 74.437 -14.090 1.124 1.00 33.10 H new ATOM 0 HB2 ASP A 105 72.299 -15.335 -0.430 1.00 32.92 H new ATOM 0 HB3 ASP A 105 73.360 -14.385 -1.453 1.00 32.92 H new ATOM 1582 N ASP A 106 72.967 -11.523 0.846 1.00 34.21 N ATOM 1583 CA ASP A 106 73.099 -10.100 0.540 1.00 34.91 C ATOM 1584 C ASP A 106 74.412 -9.584 1.108 1.00 35.10 C ATOM 1585 O ASP A 106 74.716 -8.398 1.018 1.00 35.16 O ATOM 1586 CB ASP A 106 71.931 -9.291 1.126 1.00 35.27 C ATOM 1587 CG ASP A 106 70.634 -9.459 0.358 1.00 35.62 C ATOM 1588 OD1 ASP A 106 70.500 -8.853 -0.728 1.00 35.68 O ATOM 1589 OD2 ASP A 106 69.763 -10.229 0.816 1.00 35.89 O ATOM 0 H ASP A 106 72.405 -11.724 1.673 1.00 34.21 H new ATOM 0 HA ASP A 106 73.084 -9.979 -0.543 1.00 34.91 H new ATOM 0 HB2 ASP A 106 71.773 -9.594 2.161 1.00 35.27 H new ATOM 0 HB3 ASP A 106 72.202 -8.235 1.140 1.00 35.27 H new ATOM 1594 N LEU A 107 75.163 -10.507 1.727 1.00 35.27 N ATOM 1595 CA LEU A 107 76.484 -10.232 2.297 1.00 35.52 C ATOM 1596 C LEU A 107 76.376 -9.395 3.571 1.00 35.58 C ATOM 1597 O LEU A 107 77.376 -8.968 4.139 1.00 35.79 O ATOM 1598 CB LEU A 107 77.395 -9.568 1.255 1.00 36.22 C ATOM 1599 CG LEU A 107 78.882 -9.498 1.620 1.00 36.57 C ATOM 1600 CD1 LEU A 107 79.388 -10.861 2.067 1.00 36.81 C ATOM 1601 CD2 LEU A 107 79.693 -9.000 0.435 1.00 36.78 C ATOM 0 H LEU A 107 74.864 -11.475 1.846 1.00 35.27 H new ATOM 0 HA LEU A 107 76.938 -11.182 2.578 1.00 35.52 H new ATOM 0 HB2 LEU A 107 77.296 -10.110 0.315 1.00 36.22 H new ATOM 0 HB3 LEU A 107 77.035 -8.554 1.078 1.00 36.22 H new ATOM 0 HG LEU A 107 79.001 -8.797 2.446 1.00 36.57 H new ATOM 0 HD11 LEU A 107 80.445 -10.791 2.322 1.00 36.81 H new ATOM 0 HD12 LEU A 107 78.825 -11.189 2.941 1.00 36.81 H new ATOM 0 HD13 LEU A 107 79.256 -11.581 1.259 1.00 36.81 H new ATOM 0 HD21 LEU A 107 80.747 -8.955 0.709 1.00 36.78 H new ATOM 0 HD22 LEU A 107 79.565 -9.682 -0.406 1.00 36.78 H new ATOM 0 HD23 LEU A 107 79.349 -8.005 0.151 1.00 36.78 H new ATOM 1613 N SER A 108 75.152 -9.179 4.022 1.00 35.45 N ATOM 1614 CA SER A 108 74.917 -8.539 5.303 1.00 35.56 C ATOM 1615 C SER A 108 74.531 -9.602 6.329 1.00 34.99 C ATOM 1616 O SER A 108 75.146 -9.719 7.390 1.00 35.21 O ATOM 1617 CB SER A 108 73.818 -7.478 5.173 1.00 35.92 C ATOM 1618 OG SER A 108 73.663 -6.728 6.371 1.00 36.22 O ATOM 0 H SER A 108 74.304 -9.439 3.518 1.00 35.45 H new ATOM 0 HA SER A 108 75.826 -8.038 5.636 1.00 35.56 H new ATOM 0 HB2 SER A 108 74.059 -6.804 4.351 1.00 35.92 H new ATOM 0 HB3 SER A 108 72.874 -7.962 4.922 1.00 35.92 H new ATOM 0 HG SER A 108 72.956 -6.061 6.250 1.00 36.22 H new ATOM 1624 N VAL A 109 73.516 -10.386 5.990 1.00 34.34 N ATOM 1625 CA VAL A 109 73.108 -11.517 6.803 1.00 33.84 C ATOM 1626 C VAL A 109 73.288 -12.801 6.002 1.00 33.57 C ATOM 1627 O VAL A 109 74.284 -13.512 6.237 1.00 33.71 O ATOM 1628 CB VAL A 109 71.640 -11.391 7.267 1.00 33.11 C ATOM 1629 CG1 VAL A 109 71.278 -12.540 8.192 1.00 32.97 C ATOM 1630 CG2 VAL A 109 71.409 -10.056 7.963 1.00 33.19 C ATOM 1631 OXT VAL A 109 72.467 -13.050 5.092 1.00 33.28 O ATOM 0 H VAL A 109 72.957 -10.254 5.147 1.00 34.34 H new ATOM 0 HA VAL A 109 73.734 -11.538 7.695 1.00 33.84 H new ATOM 0 HB VAL A 109 70.997 -11.435 6.388 1.00 33.11 H new ATOM 0 HG11 VAL A 109 70.241 -12.438 8.511 1.00 32.97 H new ATOM 0 HG12 VAL A 109 71.404 -13.485 7.664 1.00 32.97 H new ATOM 0 HG13 VAL A 109 71.929 -12.523 9.066 1.00 32.97 H new ATOM 0 HG21 VAL A 109 70.369 -9.987 8.282 1.00 33.19 H new ATOM 0 HG22 VAL A 109 72.061 -9.982 8.833 1.00 33.19 H new ATOM 0 HG23 VAL A 109 71.631 -9.242 7.273 1.00 33.19 H new TER 1641 VAL A 109