USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 58 THR OG1 : rot -140:sc= 0.325 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.0395 K(o=0.36,f=-3.4!) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.2: A 42 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 1 MET CE :methyl -173:sc= -1.26 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.000411 USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.929 USER MOD Single : A 15 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.14) USER MOD Single : A 17 SER OG : rot -179:sc= -1.28 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00598 USER MOD Single : A 30 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.35) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -1.46 (180deg=-2.33!) USER MOD Single : A 39 THR OG1 : rot 59:sc= 1.54 USER MOD Single : A 43 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 55 CYS SG : rot -84:sc= -6.85! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 69 GLN : amide:sc= -0.0729 K(o=-0.073,f=-2.4!) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0.987 (180deg=0.956) USER MOD Single : A 72 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -12:sc= 0.834 USER MOD Single : A 78 GLN : amide:sc= -1.02 K(o=-1,f=-0.41) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 GLN : amide:sc= 0.0422 K(o=0.042,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.268 -3.957 7.530 1.00 0.00 N ATOM 2 CA MET A 1 7.649 -3.995 6.099 1.00 0.00 C ATOM 3 C MET A 1 8.219 -5.383 5.743 1.00 0.00 C ATOM 4 O MET A 1 9.191 -5.834 6.353 1.00 0.00 O ATOM 5 CB MET A 1 8.659 -2.852 5.760 1.00 0.00 C ATOM 6 CG MET A 1 9.279 -2.930 4.345 1.00 0.00 C ATOM 7 SD MET A 1 10.631 -4.129 4.247 1.00 0.00 S ATOM 8 CE MET A 1 10.844 -4.324 2.481 1.00 0.00 C ATOM 0 H1 MET A 1 6.885 -3.019 7.762 1.00 0.00 H new ATOM 0 H2 MET A 1 6.546 -4.682 7.716 1.00 0.00 H new ATOM 0 H3 MET A 1 8.106 -4.144 8.117 1.00 0.00 H new ATOM 0 HA MET A 1 6.760 -3.828 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.150 -1.894 5.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.464 -2.868 6.495 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.505 -3.200 3.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.649 -1.945 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.558 -5.125 2.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.886 -4.573 2.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.218 -3.393 2.055 1.00 0.00 H new ATOM 18 N LEU A 2 7.581 -6.042 4.763 1.00 0.00 N ATOM 19 CA LEU A 2 8.028 -7.323 4.185 1.00 0.00 C ATOM 20 C LEU A 2 8.345 -7.121 2.698 1.00 0.00 C ATOM 21 O LEU A 2 7.840 -6.171 2.085 1.00 0.00 O ATOM 22 CB LEU A 2 6.930 -8.411 4.422 1.00 0.00 C ATOM 23 CG LEU A 2 5.438 -8.036 4.059 1.00 0.00 C ATOM 24 CD1 LEU A 2 5.129 -8.136 2.547 1.00 0.00 C ATOM 25 CD2 LEU A 2 4.434 -8.876 4.882 1.00 0.00 C ATOM 0 H LEU A 2 6.721 -5.693 4.340 1.00 0.00 H new ATOM 0 HA LEU A 2 8.939 -7.671 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.204 -9.295 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.959 -8.694 5.474 1.00 0.00 H new ATOM 0 HG LEU A 2 5.320 -6.986 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.088 -7.865 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.780 -7.456 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.301 -9.157 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.416 -8.596 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.587 -9.935 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.590 -8.691 5.945 1.00 0.00 H new ATOM 37 N LEU A 3 9.207 -7.982 2.134 1.00 0.00 N ATOM 38 CA LEU A 3 9.526 -7.990 0.688 1.00 0.00 C ATOM 39 C LEU A 3 8.256 -8.156 -0.167 1.00 0.00 C ATOM 40 O LEU A 3 7.331 -8.857 0.228 1.00 0.00 O ATOM 41 CB LEU A 3 10.532 -9.130 0.380 1.00 0.00 C ATOM 42 CG LEU A 3 11.854 -9.104 1.208 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.700 -10.353 0.958 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.655 -7.814 0.940 1.00 0.00 C ATOM 0 H LEU A 3 9.706 -8.696 2.665 1.00 0.00 H new ATOM 0 HA LEU A 3 9.975 -7.030 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.035 -10.085 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.787 -9.089 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 3 11.580 -9.108 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.613 -10.299 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.133 -11.239 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.958 -10.412 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.571 -7.825 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.907 -7.756 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.054 -6.948 1.218 1.00 0.00 H new ATOM 56 N HIS A 4 8.269 -7.547 -1.351 1.00 0.00 N ATOM 57 CA HIS A 4 7.099 -7.491 -2.260 1.00 0.00 C ATOM 58 C HIS A 4 7.264 -8.539 -3.372 1.00 0.00 C ATOM 59 O HIS A 4 6.294 -9.154 -3.818 1.00 0.00 O ATOM 60 CB HIS A 4 6.976 -6.062 -2.861 1.00 0.00 C ATOM 61 CG HIS A 4 5.799 -5.849 -3.771 1.00 0.00 C ATOM 62 ND1 HIS A 4 5.899 -5.803 -5.144 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.496 -5.640 -3.486 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.710 -5.585 -5.659 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.841 -5.480 -4.675 1.00 0.00 N ATOM 0 H HIS A 4 9.092 -7.071 -1.720 1.00 0.00 H new ATOM 0 HA HIS A 4 6.187 -7.713 -1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.916 -5.345 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.888 -5.838 -3.415 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.053 -5.606 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.483 -5.505 -6.712 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.842 -5.307 -4.783 1.00 0.00 H new ATOM 74 N SER A 5 8.521 -8.722 -3.801 1.00 0.00 N ATOM 75 CA SER A 5 8.888 -9.649 -4.873 1.00 0.00 C ATOM 76 C SER A 5 10.414 -9.867 -4.837 1.00 0.00 C ATOM 77 O SER A 5 11.180 -9.047 -5.359 1.00 0.00 O ATOM 78 CB SER A 5 8.427 -9.084 -6.243 1.00 0.00 C ATOM 79 OG SER A 5 8.699 -9.977 -7.302 1.00 0.00 O ATOM 0 H SER A 5 9.318 -8.223 -3.407 1.00 0.00 H new ATOM 0 HA SER A 5 8.392 -10.609 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.357 -8.878 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.929 -8.135 -6.431 1.00 0.00 H new ATOM 0 HG SER A 5 8.393 -9.586 -8.147 1.00 0.00 H new ATOM 85 N VAL A 6 10.846 -10.945 -4.156 1.00 0.00 N ATOM 86 CA VAL A 6 12.266 -11.318 -4.033 1.00 0.00 C ATOM 87 C VAL A 6 12.579 -12.517 -4.946 1.00 0.00 C ATOM 88 O VAL A 6 11.934 -13.572 -4.847 1.00 0.00 O ATOM 89 CB VAL A 6 12.661 -11.633 -2.529 1.00 0.00 C ATOM 90 CG1 VAL A 6 11.790 -12.761 -1.907 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.184 -11.935 -2.391 1.00 0.00 C ATOM 0 H VAL A 6 10.215 -11.585 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 6 12.867 -10.467 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 6 12.451 -10.731 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.102 -12.936 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.742 -12.462 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.914 -13.677 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.420 -12.146 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.440 -12.799 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.758 -11.071 -2.725 1.00 0.00 H new ATOM 101 N GLU A 7 13.547 -12.345 -5.857 1.00 0.00 N ATOM 102 CA GLU A 7 13.990 -13.415 -6.752 1.00 0.00 C ATOM 103 C GLU A 7 15.052 -14.262 -6.040 1.00 0.00 C ATOM 104 O GLU A 7 16.234 -13.916 -6.006 1.00 0.00 O ATOM 105 CB GLU A 7 14.494 -12.833 -8.097 1.00 0.00 C ATOM 106 CG GLU A 7 13.399 -12.080 -8.870 1.00 0.00 C ATOM 107 CD GLU A 7 13.861 -11.585 -10.244 1.00 0.00 C ATOM 108 OE1 GLU A 7 14.468 -10.501 -10.325 1.00 0.00 O ATOM 109 OE2 GLU A 7 13.649 -12.294 -11.251 1.00 0.00 O ATOM 0 H GLU A 7 14.041 -11.463 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 7 13.150 -14.066 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.327 -12.157 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.878 -13.643 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.538 -12.736 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.066 -11.228 -8.277 1.00 0.00 H new ATOM 116 N THR A 8 14.561 -15.333 -5.394 1.00 0.00 N ATOM 117 CA THR A 8 15.380 -16.338 -4.699 1.00 0.00 C ATOM 118 C THR A 8 16.052 -17.274 -5.743 1.00 0.00 C ATOM 119 O THR A 8 15.622 -17.287 -6.904 1.00 0.00 O ATOM 120 CB THR A 8 14.480 -17.171 -3.708 1.00 0.00 C ATOM 121 OG1 THR A 8 13.623 -18.064 -4.429 1.00 0.00 O ATOM 122 CG2 THR A 8 13.604 -16.265 -2.829 1.00 0.00 C ATOM 0 H THR A 8 13.561 -15.528 -5.340 1.00 0.00 H new ATOM 0 HA THR A 8 16.158 -15.838 -4.122 1.00 0.00 H new ATOM 0 HB THR A 8 15.161 -17.734 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.462 -17.708 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.000 -16.880 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.240 -15.605 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.949 -15.666 -3.462 1.00 0.00 H new ATOM 130 N PRO A 9 17.129 -18.054 -5.377 1.00 0.00 N ATOM 131 CA PRO A 9 17.774 -19.044 -6.307 1.00 0.00 C ATOM 132 C PRO A 9 16.797 -20.072 -6.957 1.00 0.00 C ATOM 133 O PRO A 9 17.059 -20.575 -8.056 1.00 0.00 O ATOM 134 CB PRO A 9 18.815 -19.749 -5.403 1.00 0.00 C ATOM 135 CG PRO A 9 19.159 -18.721 -4.362 1.00 0.00 C ATOM 136 CD PRO A 9 17.869 -17.979 -4.081 1.00 0.00 C ATOM 0 HA PRO A 9 18.197 -18.540 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.403 -20.651 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.695 -20.051 -5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.545 -19.192 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.932 -18.042 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.307 -18.445 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.057 -16.947 -3.786 1.00 0.00 H new ATOM 144 N ARG A 10 15.672 -20.357 -6.269 1.00 0.00 N ATOM 145 CA ARG A 10 14.633 -21.318 -6.739 1.00 0.00 C ATOM 146 C ARG A 10 13.533 -20.629 -7.586 1.00 0.00 C ATOM 147 O ARG A 10 12.724 -21.310 -8.232 1.00 0.00 O ATOM 148 CB ARG A 10 14.012 -22.061 -5.520 1.00 0.00 C ATOM 149 CG ARG A 10 13.465 -21.130 -4.416 1.00 0.00 C ATOM 150 CD ARG A 10 13.077 -21.859 -3.120 1.00 0.00 C ATOM 151 NE ARG A 10 11.817 -22.611 -3.220 1.00 0.00 N ATOM 152 CZ ARG A 10 11.269 -23.326 -2.220 1.00 0.00 C ATOM 153 NH1 ARG A 10 11.908 -23.507 -1.068 1.00 0.00 N ATOM 154 NH2 ARG A 10 10.075 -23.863 -2.394 1.00 0.00 N ATOM 0 H ARG A 10 15.451 -19.930 -5.369 1.00 0.00 H new ATOM 0 HA ARG A 10 15.121 -22.042 -7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.203 -22.700 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.768 -22.715 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.217 -20.376 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.592 -20.602 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.878 -22.545 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.992 -21.129 -2.315 1.00 0.00 H new ATOM 0 HE ARG A 10 11.323 -22.589 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.833 -23.100 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.473 -24.053 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.581 -23.733 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.647 -24.408 -1.645 1.00 0.00 H new ATOM 168 N GLY A 11 13.499 -19.283 -7.566 1.00 0.00 N ATOM 169 CA GLY A 11 12.533 -18.499 -8.358 1.00 0.00 C ATOM 170 C GLY A 11 12.101 -17.225 -7.658 1.00 0.00 C ATOM 171 O GLY A 11 12.627 -16.880 -6.609 1.00 0.00 O ATOM 0 H GLY A 11 14.134 -18.713 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.978 -18.247 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.655 -19.112 -8.563 1.00 0.00 H new ATOM 175 N GLU A 12 11.121 -16.528 -8.242 1.00 0.00 N ATOM 176 CA GLU A 12 10.602 -15.261 -7.696 1.00 0.00 C ATOM 177 C GLU A 12 9.477 -15.561 -6.694 1.00 0.00 C ATOM 178 O GLU A 12 8.595 -16.377 -6.978 1.00 0.00 O ATOM 179 CB GLU A 12 10.114 -14.340 -8.841 1.00 0.00 C ATOM 180 CG GLU A 12 9.561 -12.981 -8.380 1.00 0.00 C ATOM 181 CD GLU A 12 9.311 -12.013 -9.545 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.274 -12.137 -10.234 1.00 0.00 O ATOM 183 OE2 GLU A 12 10.159 -11.123 -9.779 1.00 0.00 O ATOM 0 H GLU A 12 10.663 -16.822 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 12 11.399 -14.734 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.943 -14.166 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.339 -14.861 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.628 -13.139 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.263 -12.527 -7.681 1.00 0.00 H new ATOM 190 N ILE A 13 9.509 -14.882 -5.531 1.00 0.00 N ATOM 191 CA ILE A 13 8.635 -15.164 -4.375 1.00 0.00 C ATOM 192 C ILE A 13 8.018 -13.836 -3.898 1.00 0.00 C ATOM 193 O ILE A 13 8.738 -12.928 -3.472 1.00 0.00 O ATOM 194 CB ILE A 13 9.428 -15.854 -3.185 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.146 -17.162 -3.655 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.496 -16.142 -1.981 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.224 -18.254 -4.159 1.00 0.00 C ATOM 0 H ILE A 13 10.154 -14.109 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 13 7.857 -15.861 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 13 10.195 -15.152 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.850 -16.907 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.731 -17.556 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.068 -16.614 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.071 -15.206 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.692 -16.808 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.815 -19.119 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.536 -18.544 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.657 -17.886 -5.014 1.00 0.00 H new ATOM 209 N LEU A 14 6.687 -13.738 -3.983 1.00 0.00 N ATOM 210 CA LEU A 14 5.935 -12.515 -3.649 1.00 0.00 C ATOM 211 C LEU A 14 5.644 -12.434 -2.143 1.00 0.00 C ATOM 212 O LEU A 14 5.605 -13.466 -1.475 1.00 0.00 O ATOM 213 CB LEU A 14 4.601 -12.499 -4.441 1.00 0.00 C ATOM 214 CG LEU A 14 4.726 -12.579 -5.993 1.00 0.00 C ATOM 215 CD1 LEU A 14 3.334 -12.682 -6.644 1.00 0.00 C ATOM 216 CD2 LEU A 14 5.530 -11.383 -6.561 1.00 0.00 C ATOM 0 H LEU A 14 6.093 -14.509 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 14 6.542 -11.652 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.990 -13.336 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.061 -11.587 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 14 5.282 -13.484 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.442 -12.737 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.829 -13.578 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.744 -11.804 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.597 -11.472 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.027 -10.451 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.533 -11.383 -6.134 1.00 0.00 H new ATOM 228 N ASN A 15 5.431 -11.183 -1.662 1.00 0.00 N ATOM 229 CA ASN A 15 4.971 -10.827 -0.289 1.00 0.00 C ATOM 230 C ASN A 15 5.430 -11.794 0.831 1.00 0.00 C ATOM 231 O ASN A 15 4.647 -12.594 1.351 1.00 0.00 O ATOM 232 CB ASN A 15 3.431 -10.550 -0.257 1.00 0.00 C ATOM 233 CG ASN A 15 2.566 -11.722 -0.740 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.142 -12.568 0.045 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.306 -11.777 -2.037 1.00 0.00 N ATOM 0 H ASN A 15 5.580 -10.358 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 15 5.485 -9.897 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.141 -10.296 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.218 -9.678 -0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.739 -12.537 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.673 -11.059 -2.662 1.00 0.00 H new ATOM 242 N VAL A 16 6.732 -11.730 1.166 1.00 0.00 N ATOM 243 CA VAL A 16 7.339 -12.552 2.247 1.00 0.00 C ATOM 244 C VAL A 16 8.238 -11.690 3.131 1.00 0.00 C ATOM 245 O VAL A 16 8.757 -10.665 2.694 1.00 0.00 O ATOM 246 CB VAL A 16 8.176 -13.783 1.711 1.00 0.00 C ATOM 247 CG1 VAL A 16 7.256 -14.873 1.122 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.244 -13.324 0.688 1.00 0.00 C ATOM 0 H VAL A 16 7.397 -11.112 0.701 1.00 0.00 H new ATOM 0 HA VAL A 16 6.503 -12.951 2.821 1.00 0.00 H new ATOM 0 HB VAL A 16 8.700 -14.226 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.862 -15.705 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.573 -15.228 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.683 -14.457 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.805 -14.189 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.754 -12.840 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.925 -12.619 1.165 1.00 0.00 H new ATOM 258 N SER A 17 8.408 -12.138 4.378 1.00 0.00 N ATOM 259 CA SER A 17 9.331 -11.531 5.336 1.00 0.00 C ATOM 260 C SER A 17 10.775 -11.921 4.963 1.00 0.00 C ATOM 261 O SER A 17 11.010 -13.053 4.529 1.00 0.00 O ATOM 262 CB SER A 17 8.964 -12.016 6.760 1.00 0.00 C ATOM 263 OG SER A 17 9.689 -11.325 7.764 1.00 0.00 O ATOM 0 H SER A 17 7.903 -12.941 4.753 1.00 0.00 H new ATOM 0 HA SER A 17 9.255 -10.444 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.896 -11.877 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.163 -13.085 6.841 1.00 0.00 H new ATOM 0 HG SER A 17 9.438 -11.671 8.646 1.00 0.00 H new ATOM 269 N GLU A 18 11.712 -10.962 5.116 1.00 0.00 N ATOM 270 CA GLU A 18 13.158 -11.158 4.815 1.00 0.00 C ATOM 271 C GLU A 18 13.726 -12.419 5.520 1.00 0.00 C ATOM 272 O GLU A 18 14.552 -13.150 4.953 1.00 0.00 O ATOM 273 CB GLU A 18 14.020 -9.918 5.224 1.00 0.00 C ATOM 274 CG GLU A 18 13.659 -8.559 4.569 1.00 0.00 C ATOM 275 CD GLU A 18 12.345 -7.949 5.089 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.271 -7.646 6.295 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.375 -7.822 4.320 1.00 0.00 O ATOM 0 H GLU A 18 11.493 -10.024 5.453 1.00 0.00 H new ATOM 0 HA GLU A 18 13.221 -11.290 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.952 -9.801 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.062 -10.139 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.471 -7.854 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.584 -8.695 3.490 1.00 0.00 H new ATOM 284 N GLN A 19 13.254 -12.651 6.758 1.00 0.00 N ATOM 285 CA GLN A 19 13.657 -13.801 7.588 1.00 0.00 C ATOM 286 C GLN A 19 13.176 -15.144 6.986 1.00 0.00 C ATOM 287 O GLN A 19 13.940 -16.106 6.944 1.00 0.00 O ATOM 288 CB GLN A 19 13.131 -13.618 9.043 1.00 0.00 C ATOM 289 CG GLN A 19 11.602 -13.400 9.169 1.00 0.00 C ATOM 290 CD GLN A 19 11.111 -13.118 10.591 1.00 0.00 C ATOM 291 OE1 GLN A 19 11.830 -12.567 11.420 1.00 0.00 O ATOM 292 NE2 GLN A 19 9.858 -13.443 10.861 1.00 0.00 N ATOM 0 H GLN A 19 12.576 -12.040 7.215 1.00 0.00 H new ATOM 0 HA GLN A 19 14.746 -13.837 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.406 -14.498 9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.642 -12.766 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.313 -12.567 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.090 -14.285 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.285 -13.900 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.464 -13.237 11.779 1.00 0.00 H new ATOM 301 N GLU A 20 11.914 -15.184 6.507 1.00 0.00 N ATOM 302 CA GLU A 20 11.313 -16.405 5.918 1.00 0.00 C ATOM 303 C GLU A 20 11.953 -16.710 4.560 1.00 0.00 C ATOM 304 O GLU A 20 12.299 -17.858 4.274 1.00 0.00 O ATOM 305 CB GLU A 20 9.770 -16.263 5.756 1.00 0.00 C ATOM 306 CG GLU A 20 9.098 -17.482 5.077 1.00 0.00 C ATOM 307 CD GLU A 20 7.585 -17.335 4.889 1.00 0.00 C ATOM 308 OE1 GLU A 20 7.161 -16.565 4.003 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.806 -17.983 5.621 1.00 0.00 O ATOM 0 H GLU A 20 11.286 -14.380 6.516 1.00 0.00 H new ATOM 0 HA GLU A 20 11.506 -17.231 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.323 -16.114 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.556 -15.369 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.561 -17.643 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.295 -18.372 5.675 1.00 0.00 H new ATOM 316 N ALA A 21 12.045 -15.663 3.727 1.00 0.00 N ATOM 317 CA ALA A 21 12.732 -15.708 2.431 1.00 0.00 C ATOM 318 C ALA A 21 14.117 -16.396 2.518 1.00 0.00 C ATOM 319 O ALA A 21 14.376 -17.329 1.770 1.00 0.00 O ATOM 320 CB ALA A 21 12.854 -14.287 1.867 1.00 0.00 C ATOM 0 H ALA A 21 11.639 -14.751 3.938 1.00 0.00 H new ATOM 0 HA ALA A 21 12.133 -16.316 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.364 -14.320 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.859 -13.861 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.425 -13.669 2.559 1.00 0.00 H new ATOM 326 N ARG A 22 14.967 -15.973 3.468 1.00 0.00 N ATOM 327 CA ARG A 22 16.322 -16.558 3.633 1.00 0.00 C ATOM 328 C ARG A 22 16.269 -17.974 4.238 1.00 0.00 C ATOM 329 O ARG A 22 17.128 -18.808 3.934 1.00 0.00 O ATOM 330 CB ARG A 22 17.218 -15.651 4.509 1.00 0.00 C ATOM 331 CG ARG A 22 17.516 -14.276 3.882 1.00 0.00 C ATOM 332 CD ARG A 22 18.481 -13.417 4.718 1.00 0.00 C ATOM 333 NE ARG A 22 17.964 -13.156 6.080 1.00 0.00 N ATOM 334 CZ ARG A 22 18.654 -13.330 7.215 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.887 -13.812 7.199 1.00 0.00 N ATOM 336 NH2 ARG A 22 18.086 -13.048 8.374 1.00 0.00 N ATOM 0 H ARG A 22 14.748 -15.232 4.134 1.00 0.00 H new ATOM 0 HA ARG A 22 16.755 -16.630 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.734 -15.502 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.160 -16.164 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.940 -14.423 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.579 -13.734 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.445 -13.921 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.653 -12.469 4.209 1.00 0.00 H new ATOM 0 HE ARG A 22 17.006 -12.816 6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.327 -14.058 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.397 -13.938 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.128 -12.700 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.606 -13.178 9.242 1.00 0.00 H new ATOM 350 N ASP A 23 15.264 -18.240 5.092 1.00 0.00 N ATOM 351 CA ASP A 23 15.174 -19.503 5.863 1.00 0.00 C ATOM 352 C ASP A 23 14.650 -20.650 4.978 1.00 0.00 C ATOM 353 O ASP A 23 15.366 -21.617 4.695 1.00 0.00 O ATOM 354 CB ASP A 23 14.254 -19.297 7.102 1.00 0.00 C ATOM 355 CG ASP A 23 14.090 -20.545 7.985 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.080 -20.978 8.614 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.973 -21.106 8.058 1.00 0.00 O ATOM 0 H ASP A 23 14.495 -17.594 5.269 1.00 0.00 H new ATOM 0 HA ASP A 23 16.172 -19.778 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.659 -18.488 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.270 -18.977 6.760 1.00 0.00 H new ATOM 362 N VAL A 24 13.398 -20.494 4.520 1.00 0.00 N ATOM 363 CA VAL A 24 12.666 -21.512 3.743 1.00 0.00 C ATOM 364 C VAL A 24 13.073 -21.474 2.259 1.00 0.00 C ATOM 365 O VAL A 24 13.435 -22.501 1.671 1.00 0.00 O ATOM 366 CB VAL A 24 11.109 -21.265 3.864 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.289 -22.375 3.150 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.684 -21.099 5.348 1.00 0.00 C ATOM 0 H VAL A 24 12.856 -19.645 4.680 1.00 0.00 H new ATOM 0 HA VAL A 24 12.918 -22.492 4.149 1.00 0.00 H new ATOM 0 HB VAL A 24 10.885 -20.330 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.224 -22.167 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.550 -22.396 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.517 -23.342 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.608 -20.930 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.938 -22.002 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.207 -20.247 5.783 1.00 0.00 H new ATOM 378 N PHE A 25 13.018 -20.266 1.674 1.00 0.00 N ATOM 379 CA PHE A 25 13.199 -20.055 0.217 1.00 0.00 C ATOM 380 C PHE A 25 14.676 -19.864 -0.163 1.00 0.00 C ATOM 381 O PHE A 25 14.985 -19.723 -1.349 1.00 0.00 O ATOM 382 CB PHE A 25 12.346 -18.844 -0.254 1.00 0.00 C ATOM 383 CG PHE A 25 10.855 -19.004 0.048 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.057 -19.835 -0.741 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.258 -18.345 1.126 1.00 0.00 C ATOM 386 CE1 PHE A 25 8.711 -19.995 -0.464 1.00 0.00 C ATOM 387 CE2 PHE A 25 8.911 -18.505 1.398 1.00 0.00 C ATOM 388 CZ PHE A 25 8.141 -19.333 0.606 1.00 0.00 C ATOM 0 H PHE A 25 12.847 -19.404 2.193 1.00 0.00 H new ATOM 0 HA PHE A 25 12.856 -20.955 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.713 -17.939 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.480 -18.709 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.496 -20.359 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.856 -17.702 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.105 -20.638 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.462 -17.982 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.091 -19.463 0.823 1.00 0.00 H new ATOM 398 N GLY A 26 15.566 -19.852 0.856 1.00 0.00 N ATOM 399 CA GLY A 26 17.017 -19.783 0.650 1.00 0.00 C ATOM 400 C GLY A 26 17.474 -18.558 -0.138 1.00 0.00 C ATOM 401 O GLY A 26 18.450 -18.625 -0.893 1.00 0.00 O ATOM 0 H GLY A 26 15.292 -19.890 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.512 -19.783 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.343 -20.682 0.126 1.00 0.00 H new ATOM 405 N ALA A 27 16.757 -17.441 0.067 1.00 0.00 N ATOM 406 CA ALA A 27 16.927 -16.202 -0.702 1.00 0.00 C ATOM 407 C ALA A 27 18.306 -15.580 -0.490 1.00 0.00 C ATOM 408 O ALA A 27 18.763 -15.444 0.651 1.00 0.00 O ATOM 409 CB ALA A 27 15.848 -15.180 -0.325 1.00 0.00 C ATOM 0 H ALA A 27 16.033 -17.375 0.782 1.00 0.00 H new ATOM 0 HA ALA A 27 16.831 -16.468 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.991 -14.269 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.863 -15.595 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.922 -14.948 0.738 1.00 0.00 H new ATOM 415 N SER A 28 18.938 -15.193 -1.606 1.00 0.00 N ATOM 416 CA SER A 28 20.225 -14.492 -1.611 1.00 0.00 C ATOM 417 C SER A 28 20.107 -13.168 -0.846 1.00 0.00 C ATOM 418 O SER A 28 19.101 -12.475 -0.986 1.00 0.00 O ATOM 419 CB SER A 28 20.651 -14.236 -3.067 1.00 0.00 C ATOM 420 OG SER A 28 20.494 -15.409 -3.844 1.00 0.00 O ATOM 0 H SER A 28 18.564 -15.361 -2.540 1.00 0.00 H new ATOM 0 HA SER A 28 20.979 -15.105 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 20.052 -13.430 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.691 -13.910 -3.096 1.00 0.00 H new ATOM 0 HG SER A 28 20.768 -15.229 -4.768 1.00 0.00 H new ATOM 426 N GLU A 29 21.125 -12.819 -0.054 1.00 0.00 N ATOM 427 CA GLU A 29 21.106 -11.590 0.766 1.00 0.00 C ATOM 428 C GLU A 29 21.230 -10.330 -0.123 1.00 0.00 C ATOM 429 O GLU A 29 20.791 -9.242 0.268 1.00 0.00 O ATOM 430 CB GLU A 29 22.226 -11.662 1.818 1.00 0.00 C ATOM 431 CG GLU A 29 22.139 -12.914 2.724 1.00 0.00 C ATOM 432 CD GLU A 29 23.202 -12.981 3.833 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.349 -12.520 3.614 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.905 -13.521 4.923 1.00 0.00 O ATOM 0 H GLU A 29 21.979 -13.369 0.041 1.00 0.00 H new ATOM 0 HA GLU A 29 20.150 -11.515 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.191 -11.656 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.187 -10.768 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.151 -12.945 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.228 -13.804 2.100 1.00 0.00 H new ATOM 441 N GLN A 30 21.841 -10.507 -1.318 1.00 0.00 N ATOM 442 CA GLN A 30 21.834 -9.502 -2.406 1.00 0.00 C ATOM 443 C GLN A 30 20.389 -9.220 -2.872 1.00 0.00 C ATOM 444 O GLN A 30 20.022 -8.069 -3.134 1.00 0.00 O ATOM 445 CB GLN A 30 22.665 -10.009 -3.620 1.00 0.00 C ATOM 446 CG GLN A 30 24.180 -10.227 -3.370 1.00 0.00 C ATOM 447 CD GLN A 30 24.931 -8.957 -2.943 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.542 -7.839 -3.282 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.041 -9.115 -2.233 1.00 0.00 N ATOM 0 H GLN A 30 22.355 -11.355 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 30 22.277 -8.585 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.235 -10.951 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.552 -9.294 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.305 -10.987 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.636 -10.618 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.345 -10.050 -1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.590 -8.301 -1.957 1.00 0.00 H new ATOM 458 N ALA A 31 19.585 -10.299 -2.952 1.00 0.00 N ATOM 459 CA ALA A 31 18.190 -10.232 -3.412 1.00 0.00 C ATOM 460 C ALA A 31 17.320 -9.588 -2.325 1.00 0.00 C ATOM 461 O ALA A 31 16.557 -8.696 -2.613 1.00 0.00 O ATOM 462 CB ALA A 31 17.672 -11.631 -3.783 1.00 0.00 C ATOM 0 H ALA A 31 19.888 -11.240 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 31 18.139 -9.616 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.638 -11.558 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.286 -12.046 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.724 -12.281 -2.910 1.00 0.00 H new ATOM 468 N ILE A 32 17.420 -10.108 -1.079 1.00 0.00 N ATOM 469 CA ILE A 32 16.871 -9.449 0.149 1.00 0.00 C ATOM 470 C ILE A 32 17.164 -7.939 0.217 1.00 0.00 C ATOM 471 O ILE A 32 16.298 -7.161 0.614 1.00 0.00 O ATOM 472 CB ILE A 32 17.445 -10.119 1.463 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.191 -11.653 1.464 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.872 -9.470 2.759 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.741 -12.061 1.449 1.00 0.00 C ATOM 0 H ILE A 32 17.882 -10.997 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 32 15.792 -9.587 0.085 1.00 0.00 H new ATOM 0 HB ILE A 32 18.521 -9.942 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.684 -12.088 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.664 -12.083 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 17.297 -9.965 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.130 -8.411 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.788 -9.579 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.669 -13.149 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.242 -11.663 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.261 -11.667 0.553 1.00 0.00 H new ATOM 487 N ALA A 33 18.363 -7.530 -0.218 1.00 0.00 N ATOM 488 CA ALA A 33 18.787 -6.124 -0.126 1.00 0.00 C ATOM 489 C ALA A 33 18.083 -5.295 -1.217 1.00 0.00 C ATOM 490 O ALA A 33 17.459 -4.267 -0.930 1.00 0.00 O ATOM 491 CB ALA A 33 20.308 -5.991 -0.253 1.00 0.00 C ATOM 0 H ALA A 33 19.056 -8.150 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 33 18.502 -5.744 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.589 -4.940 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.790 -6.551 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.629 -6.387 -1.217 1.00 0.00 H new ATOM 497 N ASP A 34 18.236 -5.763 -2.470 1.00 0.00 N ATOM 498 CA ASP A 34 17.593 -5.170 -3.668 1.00 0.00 C ATOM 499 C ASP A 34 16.072 -5.076 -3.539 1.00 0.00 C ATOM 500 O ASP A 34 15.496 -4.035 -3.838 1.00 0.00 O ATOM 501 CB ASP A 34 17.934 -5.991 -4.936 1.00 0.00 C ATOM 502 CG ASP A 34 17.393 -5.355 -6.237 1.00 0.00 C ATOM 503 OD1 ASP A 34 17.927 -4.311 -6.661 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.425 -5.885 -6.822 1.00 0.00 O ATOM 0 H ASP A 34 18.816 -6.574 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 34 17.990 -4.158 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.016 -6.096 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.523 -6.995 -4.832 1.00 0.00 H new ATOM 509 N ALA A 35 15.462 -6.181 -3.106 1.00 0.00 N ATOM 510 CA ALA A 35 13.999 -6.332 -3.007 1.00 0.00 C ATOM 511 C ALA A 35 13.447 -5.527 -1.838 1.00 0.00 C ATOM 512 O ALA A 35 12.308 -5.104 -1.881 1.00 0.00 O ATOM 513 CB ALA A 35 13.588 -7.814 -2.879 1.00 0.00 C ATOM 0 H ALA A 35 15.973 -7.012 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 35 13.570 -5.944 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.503 -7.886 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.932 -8.364 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.039 -8.241 -1.983 1.00 0.00 H new ATOM 519 N ARG A 36 14.254 -5.342 -0.777 1.00 0.00 N ATOM 520 CA ARG A 36 13.886 -4.454 0.342 1.00 0.00 C ATOM 521 C ARG A 36 13.902 -3.006 -0.137 1.00 0.00 C ATOM 522 O ARG A 36 12.954 -2.258 0.097 1.00 0.00 O ATOM 523 CB ARG A 36 14.803 -4.657 1.572 1.00 0.00 C ATOM 524 CG ARG A 36 14.457 -3.766 2.799 1.00 0.00 C ATOM 525 CD ARG A 36 14.863 -4.401 4.139 1.00 0.00 C ATOM 526 NE ARG A 36 16.297 -4.738 4.201 1.00 0.00 N ATOM 527 CZ ARG A 36 16.874 -5.434 5.194 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.147 -5.909 6.204 1.00 0.00 N ATOM 529 NH2 ARG A 36 18.181 -5.660 5.167 1.00 0.00 N ATOM 0 H ARG A 36 15.162 -5.794 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 36 12.879 -4.710 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.754 -5.703 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.833 -4.459 1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.957 -2.803 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.385 -3.569 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.621 -3.714 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.275 -5.304 4.301 1.00 0.00 H new ATOM 0 HE ARG A 36 16.892 -4.420 3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.140 -5.746 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.597 -6.436 6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.744 -5.306 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.623 -6.188 5.919 1.00 0.00 H new ATOM 543 N LYS A 37 14.985 -2.641 -0.840 1.00 0.00 N ATOM 544 CA LYS A 37 15.111 -1.343 -1.519 1.00 0.00 C ATOM 545 C LYS A 37 13.987 -1.131 -2.546 1.00 0.00 C ATOM 546 O LYS A 37 13.491 -0.024 -2.682 1.00 0.00 O ATOM 547 CB LYS A 37 16.492 -1.235 -2.220 1.00 0.00 C ATOM 548 CG LYS A 37 16.732 0.098 -2.967 1.00 0.00 C ATOM 549 CD LYS A 37 18.118 0.199 -3.653 1.00 0.00 C ATOM 550 CE LYS A 37 18.205 -0.533 -5.010 1.00 0.00 C ATOM 551 NZ LYS A 37 18.062 -2.006 -4.902 1.00 0.00 N ATOM 0 H LYS A 37 15.802 -3.241 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 37 15.027 -0.564 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.275 -1.364 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.590 -2.057 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.955 0.224 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.627 0.922 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.361 1.251 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.874 -0.210 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.428 -0.149 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.163 -0.303 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.545 -2.461 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.487 -2.332 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.053 -2.259 -4.918 1.00 0.00 H new ATOM 565 N ALA A 38 13.566 -2.215 -3.219 1.00 0.00 N ATOM 566 CA ALA A 38 12.588 -2.152 -4.318 1.00 0.00 C ATOM 567 C ALA A 38 11.172 -2.005 -3.764 1.00 0.00 C ATOM 568 O ALA A 38 10.377 -1.243 -4.301 1.00 0.00 O ATOM 569 CB ALA A 38 12.673 -3.409 -5.208 1.00 0.00 C ATOM 0 H ALA A 38 13.894 -3.159 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 38 12.826 -1.280 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.940 -3.336 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.673 -3.486 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.466 -4.295 -4.607 1.00 0.00 H new ATOM 575 N THR A 39 10.886 -2.755 -2.677 1.00 0.00 N ATOM 576 CA THR A 39 9.591 -2.713 -1.976 1.00 0.00 C ATOM 577 C THR A 39 9.383 -1.322 -1.388 1.00 0.00 C ATOM 578 O THR A 39 8.345 -0.729 -1.604 1.00 0.00 O ATOM 579 CB THR A 39 9.486 -3.786 -0.836 1.00 0.00 C ATOM 580 OG1 THR A 39 9.681 -5.094 -1.373 1.00 0.00 O ATOM 581 CG2 THR A 39 8.130 -3.749 -0.111 1.00 0.00 C ATOM 0 H THR A 39 11.551 -3.408 -2.263 1.00 0.00 H new ATOM 0 HA THR A 39 8.815 -2.943 -2.707 1.00 0.00 H new ATOM 0 HB THR A 39 10.264 -3.547 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.559 -5.143 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.113 -4.512 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.985 -2.767 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.330 -3.942 -0.826 1.00 0.00 H new ATOM 589 N ILE A 40 10.418 -0.811 -0.686 1.00 0.00 N ATOM 590 CA ILE A 40 10.408 0.539 -0.106 1.00 0.00 C ATOM 591 C ILE A 40 10.193 1.577 -1.218 1.00 0.00 C ATOM 592 O ILE A 40 9.150 2.198 -1.255 1.00 0.00 O ATOM 593 CB ILE A 40 11.737 0.818 0.718 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.768 -0.056 2.019 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.915 2.323 1.060 1.00 0.00 C ATOM 596 CD1 ILE A 40 10.689 0.277 3.032 1.00 0.00 C ATOM 0 H ILE A 40 11.280 -1.326 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 40 9.581 0.618 0.599 1.00 0.00 H new ATOM 0 HB ILE A 40 12.577 0.536 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.672 -1.105 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.742 0.059 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.838 2.461 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.962 2.903 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.070 2.662 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.789 -0.377 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.794 1.315 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.708 0.133 2.579 1.00 0.00 H new ATOM 608 N LEU A 41 11.122 1.628 -2.188 1.00 0.00 N ATOM 609 CA LEU A 41 11.120 2.614 -3.308 1.00 0.00 C ATOM 610 C LEU A 41 9.777 2.625 -4.078 1.00 0.00 C ATOM 611 O LEU A 41 9.292 3.692 -4.485 1.00 0.00 O ATOM 612 CB LEU A 41 12.359 2.346 -4.245 1.00 0.00 C ATOM 613 CG LEU A 41 12.313 2.855 -5.740 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.711 3.327 -6.227 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.751 1.751 -6.684 1.00 0.00 C ATOM 0 H LEU A 41 11.910 0.982 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 41 11.218 3.617 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.233 2.794 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.527 1.269 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 41 11.642 3.714 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.640 3.670 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.059 4.145 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.416 2.498 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.729 2.124 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.390 0.869 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.741 1.486 -6.373 1.00 0.00 H new ATOM 627 N GLN A 42 9.160 1.441 -4.204 1.00 0.00 N ATOM 628 CA GLN A 42 7.898 1.262 -4.935 1.00 0.00 C ATOM 629 C GLN A 42 6.733 1.782 -4.074 1.00 0.00 C ATOM 630 O GLN A 42 5.917 2.595 -4.523 1.00 0.00 O ATOM 631 CB GLN A 42 7.682 -0.240 -5.261 1.00 0.00 C ATOM 632 CG GLN A 42 6.416 -0.553 -6.072 1.00 0.00 C ATOM 633 CD GLN A 42 6.136 -2.044 -6.234 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.460 -2.849 -5.364 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.511 -2.416 -7.344 1.00 0.00 N ATOM 0 H GLN A 42 9.524 0.578 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 42 7.939 1.822 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.548 -0.605 -5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.643 -0.797 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.560 -0.084 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.509 -0.102 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.257 -1.719 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.284 -3.399 -7.497 1.00 0.00 H new ATOM 644 N THR A 43 6.731 1.324 -2.807 1.00 0.00 N ATOM 645 CA THR A 43 5.667 1.580 -1.831 1.00 0.00 C ATOM 646 C THR A 43 5.618 3.061 -1.448 1.00 0.00 C ATOM 647 O THR A 43 4.552 3.589 -1.328 1.00 0.00 O ATOM 648 CB THR A 43 5.836 0.684 -0.546 1.00 0.00 C ATOM 649 OG1 THR A 43 5.703 -0.705 -0.915 1.00 0.00 O ATOM 650 CG2 THR A 43 4.828 1.011 0.584 1.00 0.00 C ATOM 0 H THR A 43 7.488 0.754 -2.431 1.00 0.00 H new ATOM 0 HA THR A 43 4.721 1.315 -2.304 1.00 0.00 H new ATOM 0 HB THR A 43 6.828 0.897 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.561 -1.037 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.008 0.353 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.954 2.048 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.812 0.863 0.219 1.00 0.00 H new ATOM 658 N LEU A 44 6.774 3.743 -1.323 1.00 0.00 N ATOM 659 CA LEU A 44 6.807 5.165 -0.890 1.00 0.00 C ATOM 660 C LEU A 44 6.090 6.072 -1.915 1.00 0.00 C ATOM 661 O LEU A 44 5.564 7.136 -1.556 1.00 0.00 O ATOM 662 CB LEU A 44 8.253 5.677 -0.650 1.00 0.00 C ATOM 663 CG LEU A 44 9.192 4.848 0.299 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.422 5.668 0.741 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.452 4.222 1.505 1.00 0.00 C ATOM 0 H LEU A 44 7.692 3.342 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 44 6.278 5.212 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.744 5.752 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.185 6.688 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 44 9.550 4.007 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.047 5.061 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.996 5.964 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.092 6.558 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.161 3.664 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.998 5.012 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.675 3.548 1.145 1.00 0.00 H new ATOM 677 N ARG A 45 6.080 5.625 -3.186 1.00 0.00 N ATOM 678 CA ARG A 45 5.361 6.299 -4.271 1.00 0.00 C ATOM 679 C ARG A 45 3.869 5.890 -4.250 1.00 0.00 C ATOM 680 O ARG A 45 2.989 6.744 -4.147 1.00 0.00 O ATOM 681 CB ARG A 45 5.982 5.942 -5.644 1.00 0.00 C ATOM 682 CG ARG A 45 5.400 6.754 -6.827 1.00 0.00 C ATOM 683 CD ARG A 45 5.839 6.235 -8.203 1.00 0.00 C ATOM 684 NE ARG A 45 5.398 4.844 -8.427 1.00 0.00 N ATOM 685 CZ ARG A 45 4.171 4.456 -8.814 1.00 0.00 C ATOM 686 NH1 ARG A 45 3.198 5.339 -9.021 1.00 0.00 N ATOM 687 NH2 ARG A 45 3.915 3.172 -8.990 1.00 0.00 N ATOM 0 H ARG A 45 6.573 4.784 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 45 5.443 7.376 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.059 6.106 -5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.829 4.880 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.312 6.733 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.705 7.796 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.428 6.877 -8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.925 6.290 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 45 6.089 4.109 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.375 6.334 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.274 5.021 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.647 2.480 -8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.985 2.873 -9.284 1.00 0.00 H new ATOM 701 N ILE A 46 3.619 4.563 -4.323 1.00 0.00 N ATOM 702 CA ILE A 46 2.253 3.980 -4.432 1.00 0.00 C ATOM 703 C ILE A 46 1.357 4.355 -3.225 1.00 0.00 C ATOM 704 O ILE A 46 0.166 4.635 -3.393 1.00 0.00 O ATOM 705 CB ILE A 46 2.332 2.403 -4.585 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.955 2.025 -5.964 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.956 1.715 -4.384 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.978 0.535 -6.277 1.00 0.00 C ATOM 0 H ILE A 46 4.358 3.860 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 46 1.794 4.406 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 46 2.980 2.031 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.398 2.537 -6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.977 2.404 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.068 0.637 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.581 1.936 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.251 2.088 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.430 0.376 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.562 0.013 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.959 0.148 -6.280 1.00 0.00 H new ATOM 720 N GLU A 47 1.983 4.402 -2.039 1.00 0.00 N ATOM 721 CA GLU A 47 1.328 4.609 -0.721 1.00 0.00 C ATOM 722 C GLU A 47 0.508 5.897 -0.741 1.00 0.00 C ATOM 723 O GLU A 47 -0.693 5.885 -0.439 1.00 0.00 O ATOM 724 CB GLU A 47 2.410 4.684 0.431 1.00 0.00 C ATOM 725 CG GLU A 47 2.118 3.862 1.702 1.00 0.00 C ATOM 726 CD GLU A 47 0.769 4.182 2.369 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.588 5.325 2.829 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.106 3.288 2.453 1.00 0.00 O ATOM 0 H GLU A 47 2.994 4.294 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 47 0.667 3.764 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.366 4.355 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.529 5.728 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.142 2.802 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.917 4.035 2.423 1.00 0.00 H new ATOM 735 N ARG A 48 1.190 6.997 -1.137 1.00 0.00 N ATOM 736 CA ARG A 48 0.588 8.331 -1.160 1.00 0.00 C ATOM 737 C ARG A 48 -0.544 8.403 -2.189 1.00 0.00 C ATOM 738 O ARG A 48 -1.566 8.998 -1.900 1.00 0.00 O ATOM 739 CB ARG A 48 1.635 9.452 -1.412 1.00 0.00 C ATOM 740 CG ARG A 48 2.299 9.485 -2.801 1.00 0.00 C ATOM 741 CD ARG A 48 3.258 10.684 -2.970 1.00 0.00 C ATOM 742 NE ARG A 48 4.416 10.621 -2.057 1.00 0.00 N ATOM 743 CZ ARG A 48 5.279 11.628 -1.830 1.00 0.00 C ATOM 744 NH1 ARG A 48 5.123 12.815 -2.417 1.00 0.00 N ATOM 745 NH2 ARG A 48 6.297 11.440 -1.001 1.00 0.00 N ATOM 0 H ARG A 48 2.162 6.976 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 48 0.169 8.504 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.149 10.414 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.421 9.357 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.850 8.558 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.526 9.531 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.614 10.717 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.711 11.610 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 48 4.575 9.745 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.339 12.972 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.788 13.566 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.421 10.538 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.956 12.198 -0.823 1.00 0.00 H new ATOM 759 N ASP A 49 -0.366 7.749 -3.362 1.00 0.00 N ATOM 760 CA ASP A 49 -1.381 7.738 -4.443 1.00 0.00 C ATOM 761 C ASP A 49 -2.665 7.047 -3.967 1.00 0.00 C ATOM 762 O ASP A 49 -3.771 7.497 -4.279 1.00 0.00 O ATOM 763 CB ASP A 49 -0.852 7.014 -5.709 1.00 0.00 C ATOM 764 CG ASP A 49 0.430 7.621 -6.296 1.00 0.00 C ATOM 765 OD1 ASP A 49 0.509 8.865 -6.441 1.00 0.00 O ATOM 766 OD2 ASP A 49 1.358 6.859 -6.651 1.00 0.00 O ATOM 0 H ASP A 49 0.477 7.219 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.596 8.776 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.665 5.968 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.629 7.028 -6.473 1.00 0.00 H new ATOM 771 N GLU A 50 -2.491 5.953 -3.189 1.00 0.00 N ATOM 772 CA GLU A 50 -3.605 5.199 -2.596 1.00 0.00 C ATOM 773 C GLU A 50 -4.315 6.018 -1.502 1.00 0.00 C ATOM 774 O GLU A 50 -5.508 5.834 -1.270 1.00 0.00 O ATOM 775 CB GLU A 50 -3.120 3.831 -2.052 1.00 0.00 C ATOM 776 CG GLU A 50 -2.538 2.882 -3.129 1.00 0.00 C ATOM 777 CD GLU A 50 -3.496 2.624 -4.311 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.409 1.767 -4.188 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.356 3.292 -5.362 1.00 0.00 O ATOM 0 H GLU A 50 -1.573 5.574 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.334 5.005 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.360 4.006 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.955 3.333 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.610 3.306 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.285 1.930 -2.663 1.00 0.00 H new ATOM 786 N ARG A 51 -3.574 6.930 -0.851 1.00 0.00 N ATOM 787 CA ARG A 51 -4.155 7.861 0.134 1.00 0.00 C ATOM 788 C ARG A 51 -4.859 9.039 -0.567 1.00 0.00 C ATOM 789 O ARG A 51 -5.871 9.533 -0.070 1.00 0.00 O ATOM 790 CB ARG A 51 -3.075 8.398 1.098 1.00 0.00 C ATOM 791 CG ARG A 51 -2.345 7.314 1.912 1.00 0.00 C ATOM 792 CD ARG A 51 -1.489 7.892 3.042 1.00 0.00 C ATOM 793 NE ARG A 51 -2.314 8.570 4.069 1.00 0.00 N ATOM 794 CZ ARG A 51 -2.458 8.159 5.347 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.868 7.049 5.779 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.221 8.857 6.183 1.00 0.00 N ATOM 0 H ARG A 51 -2.570 7.043 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.893 7.304 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.339 8.958 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.541 9.101 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.079 6.628 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.711 6.731 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.915 7.091 3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.771 8.600 2.628 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.813 9.414 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.296 6.494 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.987 6.752 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.695 9.700 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.332 8.550 7.149 1.00 0.00 H new ATOM 810 N LEU A 52 -4.310 9.467 -1.734 1.00 0.00 N ATOM 811 CA LEU A 52 -4.824 10.628 -2.496 1.00 0.00 C ATOM 812 C LEU A 52 -6.154 10.281 -3.181 1.00 0.00 C ATOM 813 O LEU A 52 -7.020 11.149 -3.320 1.00 0.00 O ATOM 814 CB LEU A 52 -3.780 11.147 -3.532 1.00 0.00 C ATOM 815 CG LEU A 52 -2.456 11.744 -2.944 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.519 12.271 -4.052 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.737 12.816 -1.879 1.00 0.00 C ATOM 0 H LEU A 52 -3.504 9.018 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.003 11.435 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.518 10.323 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.257 11.911 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.933 10.927 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.613 12.676 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.255 11.455 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.026 13.055 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.793 13.205 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.311 13.629 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.306 12.375 -1.061 1.00 0.00 H new ATOM 829 N ARG A 53 -6.314 9.005 -3.594 1.00 0.00 N ATOM 830 CA ARG A 53 -7.603 8.485 -4.106 1.00 0.00 C ATOM 831 C ARG A 53 -8.567 8.217 -2.927 1.00 0.00 C ATOM 832 O ARG A 53 -9.777 8.423 -3.056 1.00 0.00 O ATOM 833 CB ARG A 53 -7.400 7.208 -4.974 1.00 0.00 C ATOM 834 CG ARG A 53 -6.780 6.013 -4.227 1.00 0.00 C ATOM 835 CD ARG A 53 -6.501 4.803 -5.126 1.00 0.00 C ATOM 836 NE ARG A 53 -7.736 4.208 -5.654 1.00 0.00 N ATOM 837 CZ ARG A 53 -7.881 2.924 -6.018 1.00 0.00 C ATOM 838 NH1 ARG A 53 -6.890 2.052 -5.877 1.00 0.00 N ATOM 839 NH2 ARG A 53 -9.035 2.531 -6.527 1.00 0.00 N ATOM 0 H ARG A 53 -5.564 8.313 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.047 9.241 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.365 6.904 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.763 7.459 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.847 6.331 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.451 5.710 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.863 5.108 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.950 4.051 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.547 4.819 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.997 2.353 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.021 1.081 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.798 3.199 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.163 1.559 -6.809 1.00 0.00 H new ATOM 853 N ALA A 54 -8.005 7.801 -1.759 1.00 0.00 N ATOM 854 CA ALA A 54 -8.788 7.587 -0.507 1.00 0.00 C ATOM 855 C ALA A 54 -9.181 8.926 0.167 1.00 0.00 C ATOM 856 O ALA A 54 -9.816 8.931 1.232 1.00 0.00 O ATOM 857 CB ALA A 54 -8.002 6.698 0.474 1.00 0.00 C ATOM 0 H ALA A 54 -7.009 7.606 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.712 7.079 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.587 6.552 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.804 5.732 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.057 7.180 0.725 1.00 0.00 H new ATOM 863 N CYS A 55 -8.770 10.051 -0.445 1.00 0.00 N ATOM 864 CA CYS A 55 -9.234 11.401 -0.083 1.00 0.00 C ATOM 865 C CYS A 55 -9.814 12.126 -1.319 1.00 0.00 C ATOM 866 O CYS A 55 -10.123 13.315 -1.259 1.00 0.00 O ATOM 867 CB CYS A 55 -8.070 12.205 0.543 1.00 0.00 C ATOM 868 SG CYS A 55 -6.653 12.445 -0.531 1.00 0.00 S ATOM 0 H CYS A 55 -8.099 10.048 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.032 11.318 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.445 13.182 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.740 11.694 1.447 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.878 11.403 -0.467 1.00 0.00 H new ATOM 874 N ASP A 56 -9.967 11.388 -2.442 1.00 0.00 N ATOM 875 CA ASP A 56 -10.546 11.912 -3.706 1.00 0.00 C ATOM 876 C ASP A 56 -12.029 11.519 -3.829 1.00 0.00 C ATOM 877 O ASP A 56 -12.782 12.123 -4.617 1.00 0.00 O ATOM 878 CB ASP A 56 -9.729 11.378 -4.909 1.00 0.00 C ATOM 879 CG ASP A 56 -10.192 11.890 -6.283 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.095 13.105 -6.542 1.00 0.00 O ATOM 881 OD2 ASP A 56 -10.624 11.072 -7.123 1.00 0.00 O ATOM 0 H ASP A 56 -9.692 10.408 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.493 13.001 -3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.683 11.651 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.777 10.289 -4.908 1.00 0.00 H new ATOM 886 N TRP A 57 -12.458 10.515 -3.025 1.00 0.00 N ATOM 887 CA TRP A 57 -13.881 10.103 -2.953 1.00 0.00 C ATOM 888 C TRP A 57 -14.742 11.263 -2.417 1.00 0.00 C ATOM 889 O TRP A 57 -15.932 11.332 -2.694 1.00 0.00 O ATOM 890 CB TRP A 57 -14.073 8.820 -2.084 1.00 0.00 C ATOM 891 CG TRP A 57 -13.892 9.021 -0.580 1.00 0.00 C ATOM 892 CD1 TRP A 57 -12.729 8.947 0.123 1.00 0.00 C ATOM 893 CD2 TRP A 57 -14.915 9.330 0.396 1.00 0.00 C ATOM 894 NE1 TRP A 57 -12.958 9.190 1.457 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.290 9.420 1.650 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.298 9.534 0.320 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.992 9.724 2.821 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -16.993 9.839 1.477 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.343 9.923 2.717 1.00 0.00 C ATOM 0 H TRP A 57 -11.839 9.977 -2.418 1.00 0.00 H new ATOM 0 HA TRP A 57 -14.209 9.856 -3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -15.073 8.425 -2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.365 8.063 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.762 8.728 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.246 9.197 2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -16.814 9.455 -0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.487 9.799 3.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.057 10.016 1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.917 10.148 3.604 1.00 0.00 H new ATOM 910 N THR A 58 -14.111 12.152 -1.637 1.00 0.00 N ATOM 911 CA THR A 58 -14.747 13.351 -1.085 1.00 0.00 C ATOM 912 C THR A 58 -14.775 14.504 -2.108 1.00 0.00 C ATOM 913 O THR A 58 -15.621 15.398 -2.027 1.00 0.00 O ATOM 914 CB THR A 58 -13.971 13.813 0.175 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.590 13.976 -0.161 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.102 12.814 1.317 1.00 0.00 C ATOM 0 H THR A 58 -13.131 12.055 -1.370 1.00 0.00 H new ATOM 0 HA THR A 58 -15.775 13.096 -0.830 1.00 0.00 H new ATOM 0 HB THR A 58 -14.397 14.759 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.033 13.643 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.544 13.174 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.153 12.702 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.703 11.849 1.004 1.00 0.00 H new ATOM 924 N GLN A 59 -13.830 14.463 -3.059 1.00 0.00 N ATOM 925 CA GLN A 59 -13.610 15.544 -4.040 1.00 0.00 C ATOM 926 C GLN A 59 -14.550 15.430 -5.251 1.00 0.00 C ATOM 927 O GLN A 59 -14.815 16.432 -5.934 1.00 0.00 O ATOM 928 CB GLN A 59 -12.125 15.539 -4.481 1.00 0.00 C ATOM 929 CG GLN A 59 -11.116 15.659 -3.318 1.00 0.00 C ATOM 930 CD GLN A 59 -11.331 16.893 -2.441 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.836 17.966 -2.749 1.00 0.00 O ATOM 932 NE2 GLN A 59 -12.037 16.736 -1.331 1.00 0.00 N ATOM 0 H GLN A 59 -13.192 13.676 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.843 16.495 -3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.924 14.618 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.961 16.364 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.184 14.766 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.106 15.686 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.436 15.825 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.181 17.526 -0.702 1.00 0.00 H new ATOM 941 N VAL A 60 -15.041 14.209 -5.517 1.00 0.00 N ATOM 942 CA VAL A 60 -16.046 13.969 -6.573 1.00 0.00 C ATOM 943 C VAL A 60 -17.417 14.552 -6.139 1.00 0.00 C ATOM 944 O VAL A 60 -17.727 14.613 -4.938 1.00 0.00 O ATOM 945 CB VAL A 60 -16.155 12.431 -6.926 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.749 11.597 -5.762 1.00 0.00 C ATOM 947 CG2 VAL A 60 -16.934 12.204 -8.247 1.00 0.00 C ATOM 0 H VAL A 60 -14.759 13.367 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.726 14.480 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.137 12.072 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.802 10.549 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.113 11.695 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.750 11.960 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.989 11.136 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.942 12.607 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.419 12.709 -9.064 1.00 0.00 H new ATOM 957 N GLN A 61 -18.220 15.015 -7.119 1.00 0.00 N ATOM 958 CA GLN A 61 -19.550 15.613 -6.848 1.00 0.00 C ATOM 959 C GLN A 61 -20.618 14.539 -6.532 1.00 0.00 C ATOM 960 O GLN A 61 -21.743 14.878 -6.153 1.00 0.00 O ATOM 961 CB GLN A 61 -20.006 16.501 -8.037 1.00 0.00 C ATOM 962 CG GLN A 61 -20.238 15.748 -9.366 1.00 0.00 C ATOM 963 CD GLN A 61 -20.762 16.658 -10.476 1.00 0.00 C ATOM 964 OE1 GLN A 61 -19.988 17.246 -11.226 1.00 0.00 O ATOM 965 NE2 GLN A 61 -22.077 16.807 -10.566 1.00 0.00 N ATOM 0 H GLN A 61 -17.973 14.987 -8.108 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.446 16.239 -5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.930 17.008 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.256 17.274 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.302 15.291 -9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.948 14.938 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.692 16.303 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.473 17.425 -11.274 1.00 0.00 H new ATOM 974 N ASP A 62 -20.250 13.250 -6.705 1.00 0.00 N ATOM 975 CA ASP A 62 -21.110 12.098 -6.362 1.00 0.00 C ATOM 976 C ASP A 62 -21.514 12.146 -4.872 1.00 0.00 C ATOM 977 O ASP A 62 -22.684 11.948 -4.525 1.00 0.00 O ATOM 978 CB ASP A 62 -20.377 10.764 -6.688 1.00 0.00 C ATOM 979 CG ASP A 62 -21.201 9.510 -6.333 1.00 0.00 C ATOM 980 OD1 ASP A 62 -22.149 9.178 -7.078 1.00 0.00 O ATOM 981 OD2 ASP A 62 -20.916 8.860 -5.305 1.00 0.00 O ATOM 0 H ASP A 62 -19.344 12.980 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.018 12.151 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.134 10.742 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.432 10.735 -6.145 1.00 0.00 H new ATOM 986 N VAL A 63 -20.521 12.437 -4.011 1.00 0.00 N ATOM 987 CA VAL A 63 -20.723 12.578 -2.567 1.00 0.00 C ATOM 988 C VAL A 63 -21.209 14.007 -2.239 1.00 0.00 C ATOM 989 O VAL A 63 -20.762 14.989 -2.859 1.00 0.00 O ATOM 990 CB VAL A 63 -19.406 12.242 -1.772 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.283 13.261 -2.067 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.683 12.136 -0.257 1.00 0.00 C ATOM 0 H VAL A 63 -19.555 12.580 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.487 11.865 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.057 11.269 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.391 12.994 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.052 13.250 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.612 14.259 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.756 11.903 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.078 13.084 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.411 11.346 -0.075 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.131 14.103 -1.269 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.684 15.371 -0.779 1.00 0.00 C ATOM 1004 C VAL A 64 -22.088 15.647 0.606 1.00 0.00 C ATOM 1005 O VAL A 64 -22.426 14.977 1.586 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.262 15.342 -0.699 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.829 16.739 -0.315 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.879 14.820 -2.027 1.00 0.00 C ATOM 0 H VAL A 64 -22.519 13.287 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.421 16.164 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.546 14.646 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.917 16.690 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.436 17.036 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.532 17.471 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -25.966 14.810 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.583 15.474 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.521 13.809 -2.222 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.148 16.589 0.653 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.474 17.029 1.891 1.00 0.00 C ATOM 1020 C LEU A 65 -20.556 18.554 1.984 1.00 0.00 C ATOM 1021 O LEU A 65 -20.890 19.224 0.993 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.985 16.572 1.887 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.730 15.033 1.873 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.260 14.715 1.562 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.167 14.379 3.202 1.00 0.00 C ATOM 0 H LEU A 65 -20.822 17.082 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.967 16.581 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.497 17.007 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.497 16.991 2.767 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.340 14.608 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.114 13.635 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.000 15.119 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.622 15.165 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.976 13.307 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.602 14.816 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.232 14.552 3.360 1.00 0.00 H new ATOM 1037 N THR A 66 -20.240 19.103 3.166 1.00 0.00 N ATOM 1038 CA THR A 66 -20.176 20.558 3.364 1.00 0.00 C ATOM 1039 C THR A 66 -18.925 21.132 2.672 1.00 0.00 C ATOM 1040 O THR A 66 -17.988 20.385 2.341 1.00 0.00 O ATOM 1041 CB THR A 66 -20.167 20.924 4.885 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.044 20.309 5.532 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.466 20.488 5.593 1.00 0.00 C ATOM 0 H THR A 66 -20.024 18.559 4.001 1.00 0.00 H new ATOM 0 HA THR A 66 -21.067 20.999 2.917 1.00 0.00 H new ATOM 0 HB THR A 66 -20.092 22.009 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.045 20.545 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.416 20.762 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.318 20.985 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.584 19.408 5.504 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.927 22.458 2.446 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.769 23.175 1.881 1.00 0.00 C ATOM 1053 C ALA A 67 -16.537 22.962 2.775 1.00 0.00 C ATOM 1054 O ALA A 67 -15.432 22.739 2.279 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.099 24.669 1.733 1.00 0.00 C ATOM 0 H ALA A 67 -19.726 23.060 2.648 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.543 22.779 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.239 25.192 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.954 24.789 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.338 25.087 2.711 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.776 23.031 4.104 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.783 22.692 5.149 1.00 0.00 C ATOM 1063 C ASP A 68 -15.118 21.320 4.902 1.00 0.00 C ATOM 1064 O ASP A 68 -13.900 21.245 4.793 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.443 22.704 6.552 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.463 22.340 7.689 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.693 23.214 8.124 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.442 21.169 8.133 1.00 0.00 O ATOM 0 H ASP A 68 -17.674 23.327 4.486 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.005 23.454 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.859 23.694 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.276 22.001 6.560 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.949 20.263 4.801 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.468 18.868 4.625 1.00 0.00 C ATOM 1075 C GLN A 69 -14.608 18.750 3.356 1.00 0.00 C ATOM 1076 O GLN A 69 -13.419 18.456 3.433 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.662 17.875 4.581 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.351 17.631 5.943 1.00 0.00 C ATOM 1079 CD GLN A 69 -16.585 16.714 6.910 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -15.354 16.636 6.898 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -17.319 16.012 7.759 1.00 0.00 N ATOM 0 H GLN A 69 -16.965 20.345 4.838 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.847 18.608 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.404 18.251 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.308 16.920 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.509 18.594 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.335 17.200 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.335 16.097 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.868 15.386 8.426 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.207 19.118 2.221 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.581 19.030 0.880 1.00 0.00 C ATOM 1092 C LYS A 70 -13.289 19.878 0.761 1.00 0.00 C ATOM 1093 O LYS A 70 -12.419 19.550 -0.046 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.621 19.416 -0.203 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.714 18.338 -0.411 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.864 18.788 -1.347 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.761 17.613 -1.817 1.00 0.00 C ATOM 1098 NZ LYS A 70 -18.058 16.701 -2.762 1.00 0.00 N ATOM 0 H LYS A 70 -16.155 19.493 2.197 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.268 17.998 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.096 20.356 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.105 19.588 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.253 17.440 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.132 18.066 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.480 19.523 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.441 19.286 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.094 17.045 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.654 18.012 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.720 15.973 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.703 17.247 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.260 16.245 -2.276 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.171 20.941 1.586 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.002 21.866 1.544 1.00 0.00 C ATOM 1114 C ALA A 71 -10.858 21.276 2.403 1.00 0.00 C ATOM 1115 O ALA A 71 -9.703 21.265 1.990 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.382 23.277 2.038 1.00 0.00 C ATOM 0 H ALA A 71 -13.867 21.185 2.291 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.669 21.965 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.507 23.926 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.168 23.685 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.739 23.219 3.066 1.00 0.00 H new ATOM 1122 N THR A 72 -11.225 20.848 3.630 1.00 0.00 N ATOM 1123 CA THR A 72 -10.337 20.105 4.562 1.00 0.00 C ATOM 1124 C THR A 72 -9.656 18.897 3.873 1.00 0.00 C ATOM 1125 O THR A 72 -8.454 18.675 4.041 1.00 0.00 O ATOM 1126 CB THR A 72 -11.126 19.609 5.822 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.805 20.715 6.433 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.209 18.951 6.868 1.00 0.00 C ATOM 0 H THR A 72 -12.158 21.009 4.010 1.00 0.00 H new ATOM 0 HA THR A 72 -9.562 20.804 4.876 1.00 0.00 H new ATOM 0 HB THR A 72 -11.838 18.858 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.640 20.893 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.805 18.625 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.710 18.090 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.462 19.671 7.202 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.445 18.143 3.084 1.00 0.00 N ATOM 1137 CA TRP A 73 -9.948 16.994 2.305 1.00 0.00 C ATOM 1138 C TRP A 73 -9.095 17.455 1.099 1.00 0.00 C ATOM 1139 O TRP A 73 -8.121 16.787 0.743 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.129 16.104 1.835 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.776 15.260 2.923 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.919 15.526 3.629 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.338 13.969 3.375 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.199 14.500 4.485 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.250 13.531 4.351 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.261 13.143 3.045 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.119 12.307 4.995 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.132 11.928 3.688 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.058 11.519 4.651 1.00 0.00 C ATOM 0 H TRP A 73 -11.444 18.314 2.969 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.305 16.402 2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.892 16.744 1.392 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.772 15.441 1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.515 16.421 3.524 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.993 14.464 5.124 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.542 13.449 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.832 11.990 5.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.301 11.283 3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.932 10.561 5.133 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.466 18.605 0.488 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.700 19.217 -0.627 1.00 0.00 C ATOM 1162 C ALA A 74 -7.336 19.734 -0.148 1.00 0.00 C ATOM 1163 O ALA A 74 -6.367 19.763 -0.915 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.492 20.369 -1.263 1.00 0.00 C ATOM 0 H ALA A 74 -10.299 19.133 0.751 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.535 18.440 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.912 20.803 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.437 19.990 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.690 21.133 -0.511 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.280 20.133 1.133 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.069 20.686 1.754 1.00 0.00 C ATOM 1172 C LYS A 75 -5.210 19.547 2.289 1.00 0.00 C ATOM 1173 O LYS A 75 -3.986 19.639 2.279 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.446 21.681 2.877 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.236 22.336 3.593 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.631 23.572 4.430 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.123 24.738 3.551 1.00 0.00 C ATOM 1178 NZ LYS A 75 -6.552 25.899 4.360 1.00 0.00 N ATOM 0 H LYS A 75 -8.077 20.080 1.768 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.494 21.234 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.070 22.468 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.051 21.159 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.762 21.600 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.495 22.629 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.415 23.295 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.774 23.899 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.325 25.043 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.954 24.400 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.875 26.661 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.331 25.615 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.752 26.239 4.931 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.883 18.469 2.745 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.233 17.246 3.235 1.00 0.00 C ATOM 1194 C TYR A 76 -4.421 16.590 2.110 1.00 0.00 C ATOM 1195 O TYR A 76 -3.220 16.337 2.269 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.285 16.234 3.802 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.699 14.836 4.039 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.648 14.661 4.932 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.142 13.721 3.323 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.058 13.439 5.105 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.557 12.478 3.508 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.507 12.347 4.399 1.00 0.00 C ATOM 1203 OH TYR A 76 -3.902 11.125 4.595 1.00 0.00 O ATOM 0 H TYR A 76 -6.902 18.428 2.782 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.560 17.524 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.684 16.619 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.121 16.159 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.290 15.507 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.951 13.829 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.237 13.331 5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.918 11.619 2.961 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.073 11.248 5.103 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.103 16.330 0.978 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.499 15.648 -0.176 1.00 0.00 C ATOM 1215 C ARG A 77 -3.326 16.479 -0.724 1.00 0.00 C ATOM 1216 O ARG A 77 -2.292 15.932 -1.108 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.565 15.371 -1.278 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.132 16.608 -2.011 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.226 16.240 -3.034 1.00 0.00 C ATOM 1220 NE ARG A 77 -6.787 15.185 -3.975 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.523 14.694 -4.984 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.638 15.298 -5.375 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.093 13.640 -5.654 1.00 0.00 N ATOM 0 H ARG A 77 -6.081 16.586 0.841 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.111 14.683 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.124 14.706 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.396 14.833 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.543 17.303 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.321 17.126 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.117 15.902 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.508 17.130 -3.596 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.851 14.801 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.948 16.150 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.185 14.911 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.206 13.204 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.648 13.262 -6.422 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.498 17.813 -0.689 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.497 18.777 -1.140 1.00 0.00 C ATOM 1239 C GLN A 78 -1.290 18.815 -0.184 1.00 0.00 C ATOM 1240 O GLN A 78 -0.149 18.906 -0.632 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.142 20.185 -1.287 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.278 21.201 -2.058 1.00 0.00 C ATOM 1243 CD GLN A 78 -1.878 20.741 -3.472 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -0.811 21.100 -3.965 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -2.712 19.937 -4.130 1.00 0.00 N ATOM 0 H GLN A 78 -4.351 18.250 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.128 18.461 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.101 20.081 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.349 20.582 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.823 22.142 -2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.374 21.403 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.592 19.653 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.470 19.606 -5.064 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.566 18.696 1.127 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.532 18.718 2.190 1.00 0.00 C ATOM 1256 C ALA A 79 0.232 17.384 2.257 1.00 0.00 C ATOM 1257 O ALA A 79 1.313 17.309 2.844 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.173 19.034 3.555 1.00 0.00 C ATOM 0 H ALA A 79 -2.514 18.581 1.485 1.00 0.00 H new ATOM 0 HA ALA A 79 0.183 19.503 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.402 19.047 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.659 20.009 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.913 18.270 3.795 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.333 16.329 1.653 1.00 0.00 N ATOM 1265 CA LEU A 80 0.268 14.991 1.634 1.00 0.00 C ATOM 1266 C LEU A 80 1.246 14.921 0.438 1.00 0.00 C ATOM 1267 O LEU A 80 2.419 14.567 0.598 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.876 13.933 1.550 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.531 12.452 1.945 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.805 11.624 2.149 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.397 11.761 0.924 1.00 0.00 C ATOM 0 H LEU A 80 -1.225 16.382 1.161 1.00 0.00 H new ATOM 0 HA LEU A 80 0.836 14.781 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.692 14.269 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.254 13.928 0.528 1.00 0.00 H new ATOM 0 HG LEU A 80 0.012 12.507 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.536 10.603 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.403 12.067 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.383 11.612 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.601 10.741 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.087 11.740 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.334 12.313 0.852 1.00 0.00 H new ATOM 1283 N ARG A 81 0.732 15.287 -0.759 1.00 0.00 N ATOM 1284 CA ARG A 81 1.538 15.357 -2.003 1.00 0.00 C ATOM 1285 C ARG A 81 2.602 16.476 -1.926 1.00 0.00 C ATOM 1286 O ARG A 81 3.570 16.463 -2.687 1.00 0.00 O ATOM 1287 CB ARG A 81 0.627 15.515 -3.262 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.252 16.805 -3.344 1.00 0.00 C ATOM 1289 CD ARG A 81 0.207 17.843 -4.401 1.00 0.00 C ATOM 1290 NE ARG A 81 1.444 18.557 -4.007 1.00 0.00 N ATOM 1291 CZ ARG A 81 2.467 18.858 -4.830 1.00 0.00 C ATOM 1292 NH1 ARG A 81 2.475 18.446 -6.095 1.00 0.00 N ATOM 1293 NH2 ARG A 81 3.498 19.557 -4.366 1.00 0.00 N ATOM 0 H ARG A 81 -0.247 15.541 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 81 2.071 14.411 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.263 15.481 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.035 14.650 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.279 16.514 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.260 17.284 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.373 17.337 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.590 18.569 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 81 1.528 18.844 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.698 17.893 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.258 18.683 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.511 19.862 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.276 19.789 -4.983 1.00 0.00 H new ATOM 1307 N ASP A 82 2.362 17.468 -1.037 1.00 0.00 N ATOM 1308 CA ASP A 82 3.301 18.586 -0.747 1.00 0.00 C ATOM 1309 C ASP A 82 4.721 18.072 -0.447 1.00 0.00 C ATOM 1310 O ASP A 82 5.713 18.691 -0.850 1.00 0.00 O ATOM 1311 CB ASP A 82 2.773 19.416 0.458 1.00 0.00 C ATOM 1312 CG ASP A 82 3.639 20.638 0.823 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.508 21.687 0.161 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.453 20.556 1.770 1.00 0.00 O ATOM 0 H ASP A 82 1.501 17.518 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 82 3.356 19.217 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.763 19.757 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.702 18.764 1.329 1.00 0.00 H new ATOM 1319 N LEU A 83 4.788 16.926 0.254 1.00 0.00 N ATOM 1320 CA LEU A 83 6.047 16.242 0.573 1.00 0.00 C ATOM 1321 C LEU A 83 6.780 15.787 -0.718 1.00 0.00 C ATOM 1322 O LEU A 83 6.116 15.425 -1.700 1.00 0.00 O ATOM 1323 CB LEU A 83 5.766 15.022 1.493 1.00 0.00 C ATOM 1324 CG LEU A 83 5.213 15.349 2.916 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.968 14.059 3.719 1.00 0.00 C ATOM 1326 CD2 LEU A 83 6.158 16.310 3.666 1.00 0.00 C ATOM 0 H LEU A 83 3.963 16.448 0.616 1.00 0.00 H new ATOM 0 HA LEU A 83 6.696 16.944 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.053 14.369 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.691 14.457 1.606 1.00 0.00 H new ATOM 0 HG LEU A 83 4.254 15.853 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.583 14.313 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.242 13.437 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.905 13.512 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.751 16.523 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.140 15.848 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.252 17.240 3.105 1.00 0.00 H new ATOM 1453 N GLN A 92 11.248 5.416 6.340 1.00 0.00 N ATOM 1454 CA GLN A 92 9.843 5.353 6.726 1.00 0.00 C ATOM 1455 C GLN A 92 9.178 6.714 6.446 1.00 0.00 C ATOM 1456 O GLN A 92 9.468 7.726 7.100 1.00 0.00 O ATOM 1457 CB GLN A 92 9.685 4.951 8.214 1.00 0.00 C ATOM 1458 CG GLN A 92 10.209 3.531 8.554 1.00 0.00 C ATOM 1459 CD GLN A 92 9.927 3.098 9.997 1.00 0.00 C ATOM 1460 OE1 GLN A 92 9.862 3.924 10.913 1.00 0.00 O ATOM 1461 NE2 GLN A 92 9.757 1.799 10.201 1.00 0.00 N ATOM 0 HA GLN A 92 9.348 4.584 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.213 5.677 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.631 5.010 8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.753 2.813 7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.284 3.499 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.818 1.148 9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.565 1.451 11.140 1.00 0.00 H new ATOM 1470 N ILE A 93 8.341 6.710 5.412 1.00 0.00 N ATOM 1471 CA ILE A 93 7.481 7.840 5.028 1.00 0.00 C ATOM 1472 C ILE A 93 6.514 8.234 6.173 1.00 0.00 C ATOM 1473 O ILE A 93 5.878 7.364 6.793 1.00 0.00 O ATOM 1474 CB ILE A 93 6.644 7.468 3.737 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.032 6.022 3.907 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.483 7.624 2.449 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.355 5.407 2.702 1.00 0.00 C ATOM 0 H ILE A 93 8.235 5.902 4.798 1.00 0.00 H new ATOM 0 HA ILE A 93 8.127 8.692 4.818 1.00 0.00 H new ATOM 0 HB ILE A 93 5.816 8.169 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.832 5.352 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.307 6.057 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.874 7.360 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.817 8.657 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.350 6.965 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.982 4.416 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.523 6.038 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.072 5.323 1.885 1.00 0.00 H new ATOM 1489 N VAL A 94 6.433 9.543 6.467 1.00 0.00 N ATOM 1490 CA VAL A 94 5.494 10.096 7.451 1.00 0.00 C ATOM 1491 C VAL A 94 4.789 11.331 6.841 1.00 0.00 C ATOM 1492 O VAL A 94 5.437 12.282 6.389 1.00 0.00 O ATOM 1493 CB VAL A 94 6.226 10.438 8.815 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.438 11.389 8.624 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.225 10.965 9.879 1.00 0.00 C ATOM 0 H VAL A 94 7.022 10.249 6.025 1.00 0.00 H new ATOM 0 HA VAL A 94 4.737 9.349 7.690 1.00 0.00 H new ATOM 0 HB VAL A 94 6.639 9.503 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.900 11.588 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.167 10.921 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.099 12.327 8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.760 11.190 10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.744 11.870 9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.468 10.205 10.074 1.00 0.00 H new ATOM 1505 N TRP A 95 3.456 11.258 6.783 1.00 0.00 N ATOM 1506 CA TRP A 95 2.576 12.306 6.226 1.00 0.00 C ATOM 1507 C TRP A 95 1.328 12.457 7.118 1.00 0.00 C ATOM 1508 O TRP A 95 1.083 11.572 7.950 1.00 0.00 O ATOM 1509 CB TRP A 95 2.207 11.994 4.734 1.00 0.00 C ATOM 1510 CG TRP A 95 2.098 10.538 4.352 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.352 9.556 4.949 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.748 9.929 3.234 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.519 8.374 4.277 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.365 8.585 3.217 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.622 10.404 2.238 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.828 7.709 2.260 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.078 9.521 1.280 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.673 8.186 1.296 1.00 0.00 C ATOM 0 H TRP A 95 2.939 10.450 7.130 1.00 0.00 H new ATOM 0 HA TRP A 95 3.105 13.259 6.221 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.255 12.476 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.957 12.458 4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.726 9.693 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.086 7.484 4.524 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.930 11.439 2.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.531 6.671 2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.754 9.866 0.512 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.034 7.515 0.531 1.00 0.00 H new ATOM 1529 N PRO A 96 0.514 13.575 6.986 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.665 13.792 7.855 1.00 0.00 C ATOM 1531 C PRO A 96 -1.703 12.648 7.747 1.00 0.00 C ATOM 1532 O PRO A 96 -1.799 11.949 6.727 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.246 15.159 7.366 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.713 15.323 5.974 1.00 0.00 C ATOM 1535 CD PRO A 96 0.663 14.696 6.003 1.00 0.00 C ATOM 0 HA PRO A 96 -0.397 13.804 8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.336 15.152 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.928 15.978 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.356 14.830 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.661 16.375 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.959 14.331 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.423 15.410 6.320 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.434 12.447 8.840 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.574 11.525 8.895 1.00 0.00 C ATOM 1545 C GLN A 97 -4.827 12.249 8.376 1.00 0.00 C ATOM 1546 O GLN A 97 -4.972 13.463 8.584 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.775 11.012 10.351 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.999 10.093 10.594 1.00 0.00 C ATOM 1549 CD GLN A 97 -5.000 8.771 9.803 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -4.537 8.677 8.666 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -5.522 7.731 10.417 1.00 0.00 N ATOM 0 H GLN A 97 -2.253 12.923 9.724 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.386 10.657 8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.877 10.471 10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.861 11.877 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.052 9.860 11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.904 10.647 10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.900 7.832 11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.549 6.824 9.951 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.702 11.504 7.668 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.945 12.058 7.099 1.00 0.00 C ATOM 1562 C LEU A 98 -7.896 12.558 8.213 1.00 0.00 C ATOM 1563 O LEU A 98 -7.892 11.990 9.310 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.618 11.045 6.102 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.635 9.520 6.454 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.497 9.202 7.691 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.098 8.695 5.232 1.00 0.00 C ATOM 0 H LEU A 98 -5.567 10.511 7.477 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.693 12.936 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.652 11.361 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.119 11.153 5.139 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.614 9.238 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.471 8.130 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.105 9.738 8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.526 9.512 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.106 7.636 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.102 9.005 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.413 8.861 4.400 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.690 13.654 7.955 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.473 14.348 9.012 1.00 0.00 C ATOM 1581 C PRO A 99 -10.473 13.423 9.745 1.00 0.00 C ATOM 1582 O PRO A 99 -10.521 13.402 10.980 1.00 0.00 O ATOM 1583 CB PRO A 99 -10.203 15.490 8.239 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.158 15.089 6.796 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.877 14.307 6.626 1.00 0.00 C ATOM 0 HA PRO A 99 -8.830 14.712 9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.231 15.602 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.708 16.449 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.024 14.483 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.171 15.964 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.958 13.572 5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.039 14.958 6.377 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.236 12.644 8.970 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.310 11.794 9.504 1.00 0.00 C ATOM 1595 C VAL A 100 -11.745 10.389 9.827 1.00 0.00 C ATOM 1596 O VAL A 100 -11.498 10.090 11.012 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.515 11.701 8.496 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.711 10.922 9.111 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.945 13.112 8.003 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.518 9.601 8.890 1.00 0.00 O ATOM 0 H VAL A 100 -11.128 12.584 7.958 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.691 12.242 10.422 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.176 11.138 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.526 10.877 8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.394 9.910 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.053 11.432 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.779 13.016 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.251 13.718 8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.106 13.593 7.499 1.00 0.00 H new