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 -80:sc= 0.95 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.06 K(o=2,f=-7.8!) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0 X(o=0.27,f=0.25) USER MOD Set 2.2: A 5 SER OG : rot 35:sc= 0.273 USER MOD Set 2.3: A 42 GLN : amide:sc= 0 K(o=0.27,f=-0.79) USER MOD Single : A 1 MET CE :methyl -150:sc= -3.19! (180deg=-4.36!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -13:sc= 0.399 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0.0035) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0479 X(o=-0.048,f=0.12) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0095 USER MOD Single : A 30 GLN : amide:sc=-0.00267 X(o=-0.0027,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= 0.658 (180deg=0.184) USER MOD Single : A 39 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 43 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 55 CYS SG : rot 88:sc= -4.37! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0.557 (180deg=0.55) USER MOD Single : A 72 THR OG1 : rot 95:sc= 0.982 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -12:sc= 0.383 USER MOD Single : A 78 GLN : amide:sc= -0.475 K(o=-0.48,f=-3.4!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 97 GLN : amide:sc= 0.29 K(o=0.29,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.246 -5.435 7.022 1.00 0.00 N ATOM 2 CA MET A 1 6.872 -5.284 5.690 1.00 0.00 C ATOM 3 C MET A 1 7.409 -6.650 5.249 1.00 0.00 C ATOM 4 O MET A 1 8.268 -7.216 5.924 1.00 0.00 O ATOM 5 CB MET A 1 8.008 -4.215 5.730 1.00 0.00 C ATOM 6 CG MET A 1 8.695 -3.913 4.375 1.00 0.00 C ATOM 7 SD MET A 1 9.676 -5.292 3.740 1.00 0.00 S ATOM 8 CE MET A 1 10.395 -4.575 2.272 1.00 0.00 C ATOM 0 H1 MET A 1 5.875 -4.516 7.338 1.00 0.00 H new ATOM 0 H2 MET A 1 5.467 -6.121 6.964 1.00 0.00 H new ATOM 0 H3 MET A 1 6.955 -5.774 7.703 1.00 0.00 H new ATOM 0 HA MET A 1 6.132 -4.936 4.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.594 -3.286 6.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.769 -4.547 6.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.933 -3.651 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.340 -3.042 4.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.558 -5.355 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.719 -3.822 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.348 -4.109 2.524 1.00 0.00 H new ATOM 18 N LEU A 2 6.847 -7.176 4.148 1.00 0.00 N ATOM 19 CA LEU A 2 7.323 -8.393 3.454 1.00 0.00 C ATOM 20 C LEU A 2 7.836 -8.012 2.058 1.00 0.00 C ATOM 21 O LEU A 2 7.412 -6.993 1.500 1.00 0.00 O ATOM 22 CB LEU A 2 6.181 -9.463 3.387 1.00 0.00 C ATOM 23 CG LEU A 2 4.758 -8.990 2.901 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.672 -8.764 1.375 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.660 -9.971 3.365 1.00 0.00 C ATOM 0 H LEU A 2 6.029 -6.760 3.702 1.00 0.00 H new ATOM 0 HA LEU A 2 8.148 -8.839 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.511 -10.264 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.069 -9.896 4.381 1.00 0.00 H new ATOM 0 HG LEU A 2 4.591 -8.019 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.665 -8.440 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.389 -7.998 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.901 -9.695 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.688 -9.621 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.858 -10.960 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.657 -10.025 4.454 1.00 0.00 H new ATOM 37 N LEU A 3 8.764 -8.801 1.510 1.00 0.00 N ATOM 38 CA LEU A 3 9.310 -8.595 0.160 1.00 0.00 C ATOM 39 C LEU A 3 8.280 -8.979 -0.933 1.00 0.00 C ATOM 40 O LEU A 3 7.968 -10.160 -1.097 1.00 0.00 O ATOM 41 CB LEU A 3 10.593 -9.461 -0.005 1.00 0.00 C ATOM 42 CG LEU A 3 11.631 -9.403 1.161 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.822 -10.334 0.874 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.102 -7.962 1.447 1.00 0.00 C ATOM 0 H LEU A 3 9.162 -9.607 1.992 1.00 0.00 H new ATOM 0 HA LEU A 3 9.547 -7.538 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.288 -10.499 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.095 -9.155 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 3 11.130 -9.755 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.534 -10.279 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.466 -11.359 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.312 -10.024 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.823 -7.970 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.571 -7.549 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.245 -7.348 1.724 1.00 0.00 H new ATOM 56 N HIS A 4 7.731 -7.962 -1.633 1.00 0.00 N ATOM 57 CA HIS A 4 6.937 -8.114 -2.886 1.00 0.00 C ATOM 58 C HIS A 4 7.524 -9.162 -3.870 1.00 0.00 C ATOM 59 O HIS A 4 6.765 -9.894 -4.509 1.00 0.00 O ATOM 60 CB HIS A 4 6.828 -6.717 -3.577 1.00 0.00 C ATOM 61 CG HIS A 4 6.194 -6.711 -4.957 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.833 -6.718 -5.167 1.00 0.00 N ATOM 63 CD2 HIS A 4 6.754 -6.693 -6.194 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.585 -6.705 -6.465 1.00 0.00 C ATOM 65 NE2 HIS A 4 5.736 -6.691 -7.106 1.00 0.00 N ATOM 0 H HIS A 4 7.826 -6.989 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 4 5.952 -8.490 -2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.251 -6.056 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.829 -6.292 -3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.811 -6.682 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 4 3.606 -6.706 -6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.849 -6.680 -8.120 1.00 0.00 H new ATOM 74 N SER A 5 8.863 -9.215 -3.977 1.00 0.00 N ATOM 75 CA SER A 5 9.561 -10.132 -4.898 1.00 0.00 C ATOM 76 C SER A 5 11.060 -10.212 -4.547 1.00 0.00 C ATOM 77 O SER A 5 11.793 -9.235 -4.731 1.00 0.00 O ATOM 78 CB SER A 5 9.364 -9.684 -6.379 1.00 0.00 C ATOM 79 OG SER A 5 9.761 -8.334 -6.584 1.00 0.00 O ATOM 0 H SER A 5 9.491 -8.626 -3.430 1.00 0.00 H new ATOM 0 HA SER A 5 9.128 -11.126 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.942 -10.335 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.316 -9.800 -6.657 1.00 0.00 H new ATOM 0 HG SER A 5 10.534 -8.131 -6.017 1.00 0.00 H new ATOM 85 N VAL A 6 11.507 -11.371 -4.013 1.00 0.00 N ATOM 86 CA VAL A 6 12.936 -11.641 -3.739 1.00 0.00 C ATOM 87 C VAL A 6 13.525 -12.546 -4.837 1.00 0.00 C ATOM 88 O VAL A 6 12.825 -13.410 -5.381 1.00 0.00 O ATOM 89 CB VAL A 6 13.152 -12.282 -2.308 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.480 -13.669 -2.176 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.658 -12.352 -1.922 1.00 0.00 C ATOM 0 H VAL A 6 10.890 -12.143 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 6 13.462 -10.686 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 6 12.659 -11.616 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.658 -14.066 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.407 -13.571 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.901 -14.349 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.760 -12.798 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.193 -12.960 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.078 -11.346 -1.911 1.00 0.00 H new ATOM 101 N GLU A 7 14.801 -12.315 -5.174 1.00 0.00 N ATOM 102 CA GLU A 7 15.531 -13.115 -6.163 1.00 0.00 C ATOM 103 C GLU A 7 16.316 -14.214 -5.415 1.00 0.00 C ATOM 104 O GLU A 7 17.279 -13.929 -4.700 1.00 0.00 O ATOM 105 CB GLU A 7 16.443 -12.166 -6.999 1.00 0.00 C ATOM 106 CG GLU A 7 17.082 -12.760 -8.283 1.00 0.00 C ATOM 107 CD GLU A 7 18.282 -13.688 -8.034 1.00 0.00 C ATOM 108 OE1 GLU A 7 19.380 -13.175 -7.736 1.00 0.00 O ATOM 109 OE2 GLU A 7 18.142 -14.923 -8.131 1.00 0.00 O ATOM 0 H GLU A 7 15.357 -11.564 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 7 14.861 -13.613 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.854 -11.294 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.246 -11.811 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.319 -13.314 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.402 -11.940 -8.926 1.00 0.00 H new ATOM 116 N THR A 8 15.857 -15.468 -5.564 1.00 0.00 N ATOM 117 CA THR A 8 16.443 -16.659 -4.911 1.00 0.00 C ATOM 118 C THR A 8 17.075 -17.597 -5.978 1.00 0.00 C ATOM 119 O THR A 8 16.741 -17.484 -7.165 1.00 0.00 O ATOM 120 CB THR A 8 15.340 -17.435 -4.103 1.00 0.00 C ATOM 121 OG1 THR A 8 14.301 -17.879 -4.985 1.00 0.00 O ATOM 122 CG2 THR A 8 14.727 -16.576 -2.989 1.00 0.00 C ATOM 0 H THR A 8 15.054 -15.690 -6.152 1.00 0.00 H new ATOM 0 HA THR A 8 17.220 -16.331 -4.221 1.00 0.00 H new ATOM 0 HB THR A 8 15.827 -18.292 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.395 -17.432 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.970 -17.154 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.508 -16.273 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.267 -15.689 -3.425 1.00 0.00 H new ATOM 130 N PRO A 9 18.002 -18.543 -5.579 1.00 0.00 N ATOM 131 CA PRO A 9 18.605 -19.539 -6.517 1.00 0.00 C ATOM 132 C PRO A 9 17.576 -20.477 -7.207 1.00 0.00 C ATOM 133 O PRO A 9 17.906 -21.141 -8.198 1.00 0.00 O ATOM 134 CB PRO A 9 19.575 -20.352 -5.610 1.00 0.00 C ATOM 135 CG PRO A 9 19.875 -19.437 -4.464 1.00 0.00 C ATOM 136 CD PRO A 9 18.591 -18.679 -4.213 1.00 0.00 C ATOM 0 HA PRO A 9 19.089 -19.036 -7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.115 -21.279 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.483 -20.627 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.179 -19.999 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.692 -18.758 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.927 -19.223 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.780 -17.707 -3.757 1.00 0.00 H new ATOM 144 N ARG A 10 16.343 -20.521 -6.670 1.00 0.00 N ATOM 145 CA ARG A 10 15.257 -21.395 -7.185 1.00 0.00 C ATOM 146 C ARG A 10 14.261 -20.616 -8.073 1.00 0.00 C ATOM 147 O ARG A 10 13.431 -21.229 -8.757 1.00 0.00 O ATOM 148 CB ARG A 10 14.523 -22.088 -6.001 1.00 0.00 C ATOM 149 CG ARG A 10 13.671 -21.150 -5.109 1.00 0.00 C ATOM 150 CD ARG A 10 13.301 -21.776 -3.745 1.00 0.00 C ATOM 151 NE ARG A 10 12.887 -23.197 -3.858 1.00 0.00 N ATOM 152 CZ ARG A 10 11.752 -23.729 -3.368 1.00 0.00 C ATOM 153 NH1 ARG A 10 10.804 -22.961 -2.859 1.00 0.00 N ATOM 154 NH2 ARG A 10 11.564 -25.044 -3.433 1.00 0.00 N ATOM 0 H ARG A 10 16.065 -19.955 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 10 15.713 -22.159 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.875 -22.867 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.265 -22.582 -5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.220 -20.224 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.757 -20.886 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.156 -21.704 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.492 -21.201 -3.294 1.00 0.00 H new ATOM 0 HE ARG A 10 13.520 -23.827 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.927 -21.949 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.950 -23.381 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.277 -25.641 -3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.707 -25.455 -3.064 1.00 0.00 H new ATOM 168 N GLY A 11 14.332 -19.271 -8.038 1.00 0.00 N ATOM 169 CA GLY A 11 13.500 -18.419 -8.900 1.00 0.00 C ATOM 170 C GLY A 11 13.185 -17.079 -8.263 1.00 0.00 C ATOM 171 O GLY A 11 13.957 -16.585 -7.447 1.00 0.00 O ATOM 0 H GLY A 11 14.958 -18.754 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.013 -18.255 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.569 -18.937 -9.127 1.00 0.00 H new ATOM 175 N GLU A 12 12.052 -16.480 -8.652 1.00 0.00 N ATOM 176 CA GLU A 12 11.517 -15.265 -8.007 1.00 0.00 C ATOM 177 C GLU A 12 10.387 -15.695 -7.065 1.00 0.00 C ATOM 178 O GLU A 12 9.553 -16.524 -7.444 1.00 0.00 O ATOM 179 CB GLU A 12 11.006 -14.238 -9.061 1.00 0.00 C ATOM 180 CG GLU A 12 10.464 -12.918 -8.459 1.00 0.00 C ATOM 181 CD GLU A 12 10.084 -11.869 -9.526 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.931 -11.870 -10.005 1.00 0.00 O ATOM 183 OE2 GLU A 12 10.950 -11.045 -9.898 1.00 0.00 O ATOM 0 H GLU A 12 11.477 -16.821 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 12 12.307 -14.765 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.821 -14.003 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.218 -14.704 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.588 -13.138 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.217 -12.494 -7.795 1.00 0.00 H new ATOM 190 N ILE A 13 10.361 -15.142 -5.842 1.00 0.00 N ATOM 191 CA ILE A 13 9.396 -15.529 -4.794 1.00 0.00 C ATOM 192 C ILE A 13 8.618 -14.268 -4.371 1.00 0.00 C ATOM 193 O ILE A 13 9.227 -13.275 -3.966 1.00 0.00 O ATOM 194 CB ILE A 13 10.109 -16.178 -3.543 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.140 -17.279 -3.961 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.069 -16.748 -2.554 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.564 -18.477 -4.699 1.00 0.00 C ATOM 0 H ILE A 13 11.010 -14.411 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 13 8.720 -16.283 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 13 10.667 -15.387 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.900 -16.818 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.645 -17.637 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.583 -17.190 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.417 -15.946 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.472 -17.511 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.365 -19.176 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.827 -18.973 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.086 -18.142 -5.620 1.00 0.00 H new ATOM 209 N LEU A 14 7.281 -14.322 -4.464 1.00 0.00 N ATOM 210 CA LEU A 14 6.402 -13.141 -4.329 1.00 0.00 C ATOM 211 C LEU A 14 5.769 -13.052 -2.928 1.00 0.00 C ATOM 212 O LEU A 14 5.536 -14.085 -2.295 1.00 0.00 O ATOM 213 CB LEU A 14 5.285 -13.208 -5.399 1.00 0.00 C ATOM 214 CG LEU A 14 5.761 -13.356 -6.880 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.557 -13.469 -7.836 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.697 -12.198 -7.285 1.00 0.00 C ATOM 0 H LEU A 14 6.772 -15.189 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 14 7.013 -12.250 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.633 -14.049 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.681 -12.304 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 14 6.334 -14.280 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.914 -13.571 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.962 -14.343 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.942 -12.573 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.011 -12.329 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.168 -11.250 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.574 -12.195 -6.637 1.00 0.00 H new ATOM 228 N ASN A 15 5.492 -11.790 -2.498 1.00 0.00 N ATOM 229 CA ASN A 15 4.772 -11.417 -1.242 1.00 0.00 C ATOM 230 C ASN A 15 5.226 -12.240 -0.016 1.00 0.00 C ATOM 231 O ASN A 15 4.429 -12.620 0.851 1.00 0.00 O ATOM 232 CB ASN A 15 3.214 -11.429 -1.434 1.00 0.00 C ATOM 233 CG ASN A 15 2.594 -12.799 -1.760 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.198 -13.552 -0.871 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.508 -13.126 -3.047 1.00 0.00 N ATOM 0 H ASN A 15 5.774 -10.971 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 15 5.055 -10.388 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.751 -11.048 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.959 -10.735 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.105 -14.022 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.845 -12.480 -3.761 1.00 0.00 H new ATOM 242 N VAL A 16 6.545 -12.418 0.076 1.00 0.00 N ATOM 243 CA VAL A 16 7.185 -13.325 1.035 1.00 0.00 C ATOM 244 C VAL A 16 7.971 -12.523 2.087 1.00 0.00 C ATOM 245 O VAL A 16 8.596 -11.511 1.771 1.00 0.00 O ATOM 246 CB VAL A 16 8.145 -14.313 0.262 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.242 -13.548 -0.533 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.772 -15.366 1.206 1.00 0.00 C ATOM 0 H VAL A 16 7.211 -11.929 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 16 6.418 -13.903 1.551 1.00 0.00 H new ATOM 0 HB VAL A 16 7.528 -14.848 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.882 -14.263 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.770 -12.889 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.844 -12.955 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.425 -16.025 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.352 -14.862 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.981 -15.954 1.672 1.00 0.00 H new ATOM 258 N SER A 17 7.916 -12.982 3.346 1.00 0.00 N ATOM 259 CA SER A 17 8.763 -12.468 4.439 1.00 0.00 C ATOM 260 C SER A 17 10.244 -12.756 4.118 1.00 0.00 C ATOM 261 O SER A 17 10.537 -13.733 3.455 1.00 0.00 O ATOM 262 CB SER A 17 8.357 -13.152 5.767 1.00 0.00 C ATOM 263 OG SER A 17 9.250 -12.850 6.825 1.00 0.00 O ATOM 0 H SER A 17 7.280 -13.724 3.639 1.00 0.00 H new ATOM 0 HA SER A 17 8.627 -11.391 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.351 -12.836 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.323 -14.232 5.621 1.00 0.00 H new ATOM 0 HG SER A 17 8.953 -13.302 7.643 1.00 0.00 H new ATOM 269 N GLU A 18 11.160 -11.895 4.581 1.00 0.00 N ATOM 270 CA GLU A 18 12.620 -12.108 4.405 1.00 0.00 C ATOM 271 C GLU A 18 13.149 -13.189 5.355 1.00 0.00 C ATOM 272 O GLU A 18 14.187 -13.808 5.084 1.00 0.00 O ATOM 273 CB GLU A 18 13.435 -10.781 4.515 1.00 0.00 C ATOM 274 CG GLU A 18 12.900 -9.683 5.445 1.00 0.00 C ATOM 275 CD GLU A 18 12.836 -10.079 6.931 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.847 -9.903 7.638 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.781 -10.555 7.399 1.00 0.00 O ATOM 0 H GLU A 18 10.924 -11.039 5.083 1.00 0.00 H new ATOM 0 HA GLU A 18 12.765 -12.471 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.443 -11.034 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.522 -10.358 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.531 -8.800 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.901 -9.400 5.114 1.00 0.00 H new ATOM 284 N GLN A 19 12.430 -13.406 6.466 1.00 0.00 N ATOM 285 CA GLN A 19 12.681 -14.542 7.359 1.00 0.00 C ATOM 286 C GLN A 19 12.389 -15.858 6.614 1.00 0.00 C ATOM 287 O GLN A 19 13.214 -16.772 6.603 1.00 0.00 O ATOM 288 CB GLN A 19 11.823 -14.442 8.649 1.00 0.00 C ATOM 289 CG GLN A 19 12.095 -13.204 9.521 1.00 0.00 C ATOM 290 CD GLN A 19 13.563 -13.051 9.944 1.00 0.00 C ATOM 291 OE1 GLN A 19 14.355 -12.393 9.270 1.00 0.00 O ATOM 292 NE2 GLN A 19 13.942 -13.679 11.046 1.00 0.00 N ATOM 0 H GLN A 19 11.664 -12.803 6.767 1.00 0.00 H new ATOM 0 HA GLN A 19 13.729 -14.524 7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.770 -14.444 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.994 -15.335 9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.790 -12.312 8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.473 -13.258 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.264 -14.217 11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.912 -13.625 11.356 1.00 0.00 H new ATOM 301 N GLU A 20 11.213 -15.896 5.964 1.00 0.00 N ATOM 302 CA GLU A 20 10.747 -17.048 5.169 1.00 0.00 C ATOM 303 C GLU A 20 11.697 -17.290 3.970 1.00 0.00 C ATOM 304 O GLU A 20 12.089 -18.420 3.680 1.00 0.00 O ATOM 305 CB GLU A 20 9.300 -16.769 4.659 1.00 0.00 C ATOM 306 CG GLU A 20 8.451 -18.017 4.342 1.00 0.00 C ATOM 307 CD GLU A 20 7.958 -18.719 5.615 1.00 0.00 C ATOM 308 OE1 GLU A 20 7.008 -18.205 6.250 1.00 0.00 O ATOM 309 OE2 GLU A 20 8.522 -19.757 6.011 1.00 0.00 O ATOM 0 H GLU A 20 10.551 -15.120 5.975 1.00 0.00 H new ATOM 0 HA GLU A 20 10.745 -17.941 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.777 -16.178 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.363 -16.157 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.594 -17.727 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.041 -18.715 3.749 1.00 0.00 H new ATOM 316 N ALA A 21 12.007 -16.178 3.278 1.00 0.00 N ATOM 317 CA ALA A 21 12.926 -16.127 2.126 1.00 0.00 C ATOM 318 C ALA A 21 14.274 -16.809 2.410 1.00 0.00 C ATOM 319 O ALA A 21 14.671 -17.709 1.675 1.00 0.00 O ATOM 320 CB ALA A 21 13.132 -14.667 1.681 1.00 0.00 C ATOM 0 H ALA A 21 11.615 -15.266 3.511 1.00 0.00 H new ATOM 0 HA ALA A 21 12.462 -16.689 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.812 -14.639 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.173 -14.235 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.557 -14.092 2.504 1.00 0.00 H new ATOM 326 N ARG A 22 14.963 -16.404 3.497 1.00 0.00 N ATOM 327 CA ARG A 22 16.313 -16.934 3.813 1.00 0.00 C ATOM 328 C ARG A 22 16.253 -18.367 4.373 1.00 0.00 C ATOM 329 O ARG A 22 17.171 -19.153 4.136 1.00 0.00 O ATOM 330 CB ARG A 22 17.087 -15.998 4.783 1.00 0.00 C ATOM 331 CG ARG A 22 17.320 -14.576 4.216 1.00 0.00 C ATOM 332 CD ARG A 22 18.460 -13.800 4.904 1.00 0.00 C ATOM 333 NE ARG A 22 18.259 -13.632 6.353 1.00 0.00 N ATOM 334 CZ ARG A 22 19.215 -13.705 7.293 1.00 0.00 C ATOM 335 NH1 ARG A 22 20.426 -14.150 7.001 1.00 0.00 N ATOM 336 NH2 ARG A 22 18.925 -13.399 8.543 1.00 0.00 N ATOM 0 H ARG A 22 14.614 -15.719 4.167 1.00 0.00 H new ATOM 0 HA ARG A 22 16.861 -16.969 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.534 -15.921 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.051 -16.449 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.539 -14.653 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.397 -14.004 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.401 -14.323 4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.553 -12.818 4.441 1.00 0.00 H new ATOM 0 HE ARG A 22 17.308 -13.443 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.645 -14.444 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.140 -14.199 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.979 -13.109 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.647 -13.452 9.262 1.00 0.00 H new ATOM 350 N ASP A 23 15.174 -18.697 5.104 1.00 0.00 N ATOM 351 CA ASP A 23 15.022 -20.017 5.761 1.00 0.00 C ATOM 352 C ASP A 23 14.626 -21.109 4.741 1.00 0.00 C ATOM 353 O ASP A 23 15.376 -22.059 4.500 1.00 0.00 O ATOM 354 CB ASP A 23 13.965 -19.910 6.890 1.00 0.00 C ATOM 355 CG ASP A 23 13.669 -21.248 7.583 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.570 -21.782 8.261 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.546 -21.774 7.454 1.00 0.00 O ATOM 0 H ASP A 23 14.387 -18.067 5.258 1.00 0.00 H new ATOM 0 HA ASP A 23 15.981 -20.307 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.312 -19.194 7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.039 -19.513 6.473 1.00 0.00 H new ATOM 362 N VAL A 24 13.443 -20.922 4.141 1.00 0.00 N ATOM 363 CA VAL A 24 12.836 -21.873 3.192 1.00 0.00 C ATOM 364 C VAL A 24 13.476 -21.742 1.794 1.00 0.00 C ATOM 365 O VAL A 24 14.094 -22.684 1.283 1.00 0.00 O ATOM 366 CB VAL A 24 11.274 -21.634 3.101 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.607 -22.544 2.039 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.612 -21.820 4.485 1.00 0.00 C ATOM 0 H VAL A 24 12.870 -20.094 4.302 1.00 0.00 H new ATOM 0 HA VAL A 24 13.020 -22.883 3.559 1.00 0.00 H new ATOM 0 HB VAL A 24 11.120 -20.604 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.536 -22.346 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.040 -22.338 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.776 -23.589 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.538 -21.651 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.793 -22.834 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.037 -21.106 5.191 1.00 0.00 H new ATOM 378 N PHE A 25 13.351 -20.544 1.209 1.00 0.00 N ATOM 379 CA PHE A 25 13.673 -20.298 -0.214 1.00 0.00 C ATOM 380 C PHE A 25 15.183 -20.097 -0.445 1.00 0.00 C ATOM 381 O PHE A 25 15.646 -20.102 -1.595 1.00 0.00 O ATOM 382 CB PHE A 25 12.847 -19.090 -0.720 1.00 0.00 C ATOM 383 CG PHE A 25 11.342 -19.280 -0.500 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.599 -20.120 -1.327 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.678 -18.648 0.551 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.247 -20.316 -1.111 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.331 -18.851 0.767 1.00 0.00 C ATOM 388 CZ PHE A 25 8.618 -19.679 -0.064 1.00 0.00 C ATOM 0 H PHE A 25 13.024 -19.714 1.704 1.00 0.00 H new ATOM 0 HA PHE A 25 13.401 -21.182 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.176 -18.187 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.040 -18.940 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.086 -20.625 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.228 -17.989 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.685 -20.968 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.837 -18.358 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.562 -19.831 0.103 1.00 0.00 H new ATOM 398 N GLY A 26 15.933 -19.954 0.663 1.00 0.00 N ATOM 399 CA GLY A 26 17.392 -19.851 0.632 1.00 0.00 C ATOM 400 C GLY A 26 17.902 -18.593 -0.051 1.00 0.00 C ATOM 401 O GLY A 26 18.799 -18.656 -0.901 1.00 0.00 O ATOM 0 H GLY A 26 15.538 -19.907 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.771 -19.878 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.798 -20.722 0.118 1.00 0.00 H new ATOM 405 N ALA A 27 17.312 -17.450 0.322 1.00 0.00 N ATOM 406 CA ALA A 27 17.694 -16.132 -0.204 1.00 0.00 C ATOM 407 C ALA A 27 18.923 -15.588 0.533 1.00 0.00 C ATOM 408 O ALA A 27 19.119 -15.858 1.728 1.00 0.00 O ATOM 409 CB ALA A 27 16.523 -15.150 -0.079 1.00 0.00 C ATOM 0 H ALA A 27 16.552 -17.413 1.001 1.00 0.00 H new ATOM 0 HA ALA A 27 17.948 -16.245 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.820 -14.178 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.671 -15.526 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.245 -15.047 0.970 1.00 0.00 H new ATOM 415 N SER A 28 19.735 -14.816 -0.194 1.00 0.00 N ATOM 416 CA SER A 28 20.917 -14.148 0.355 1.00 0.00 C ATOM 417 C SER A 28 20.519 -12.845 1.053 1.00 0.00 C ATOM 418 O SER A 28 19.513 -12.231 0.710 1.00 0.00 O ATOM 419 CB SER A 28 21.936 -13.850 -0.761 1.00 0.00 C ATOM 420 OG SER A 28 23.095 -13.200 -0.249 1.00 0.00 O ATOM 0 H SER A 28 19.589 -14.636 -1.187 1.00 0.00 H new ATOM 0 HA SER A 28 21.377 -14.815 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 28 22.225 -14.781 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.471 -13.222 -1.521 1.00 0.00 H new ATOM 0 HG SER A 28 23.723 -13.026 -0.981 1.00 0.00 H new ATOM 426 N GLU A 29 21.377 -12.405 1.976 1.00 0.00 N ATOM 427 CA GLU A 29 21.167 -11.171 2.759 1.00 0.00 C ATOM 428 C GLU A 29 21.293 -9.927 1.848 1.00 0.00 C ATOM 429 O GLU A 29 20.692 -8.878 2.113 1.00 0.00 O ATOM 430 CB GLU A 29 22.170 -11.128 3.929 1.00 0.00 C ATOM 431 CG GLU A 29 22.053 -12.336 4.879 1.00 0.00 C ATOM 432 CD GLU A 29 23.134 -12.371 5.972 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.331 -12.401 5.619 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.801 -12.382 7.184 1.00 0.00 O ATOM 0 H GLU A 29 22.243 -12.892 2.207 1.00 0.00 H new ATOM 0 HA GLU A 29 20.159 -11.167 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.183 -11.087 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.015 -10.211 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.071 -12.321 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.111 -13.254 4.294 1.00 0.00 H new ATOM 441 N GLN A 30 22.054 -10.086 0.748 1.00 0.00 N ATOM 442 CA GLN A 30 22.195 -9.058 -0.303 1.00 0.00 C ATOM 443 C GLN A 30 20.961 -9.082 -1.226 1.00 0.00 C ATOM 444 O GLN A 30 20.516 -8.035 -1.716 1.00 0.00 O ATOM 445 CB GLN A 30 23.493 -9.300 -1.124 1.00 0.00 C ATOM 446 CG GLN A 30 24.787 -9.362 -0.277 1.00 0.00 C ATOM 447 CD GLN A 30 25.085 -8.080 0.520 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.754 -6.971 0.093 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.716 -8.224 1.682 1.00 0.00 N ATOM 0 H GLN A 30 22.590 -10.934 0.562 1.00 0.00 H new ATOM 0 HA GLN A 30 22.264 -8.077 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.390 -10.235 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.595 -8.504 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.713 -10.199 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.629 -9.570 -0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.977 -9.154 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.939 -7.404 2.246 1.00 0.00 H new ATOM 458 N ALA A 31 20.405 -10.294 -1.417 1.00 0.00 N ATOM 459 CA ALA A 31 19.182 -10.523 -2.210 1.00 0.00 C ATOM 460 C ALA A 31 17.949 -10.034 -1.436 1.00 0.00 C ATOM 461 O ALA A 31 16.919 -9.702 -2.043 1.00 0.00 O ATOM 462 CB ALA A 31 19.036 -12.012 -2.561 1.00 0.00 C ATOM 0 H ALA A 31 20.796 -11.149 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 31 19.261 -9.957 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 18.128 -12.161 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.899 -12.335 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.977 -12.598 -1.644 1.00 0.00 H new ATOM 468 N ILE A 32 18.075 -9.949 -0.088 1.00 0.00 N ATOM 469 CA ILE A 32 16.981 -9.494 0.769 1.00 0.00 C ATOM 470 C ILE A 32 16.945 -7.975 0.675 1.00 0.00 C ATOM 471 O ILE A 32 15.923 -7.418 0.375 1.00 0.00 O ATOM 472 CB ILE A 32 17.167 -9.911 2.274 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.064 -11.450 2.454 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.179 -9.172 3.212 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.805 -12.091 1.913 1.00 0.00 C ATOM 0 H ILE A 32 18.927 -10.192 0.417 1.00 0.00 H new ATOM 0 HA ILE A 32 16.055 -9.957 0.429 1.00 0.00 H new ATOM 0 HB ILE A 32 18.173 -9.606 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.923 -11.912 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.138 -11.679 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.345 -9.492 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.341 -8.097 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.155 -9.407 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.838 -13.166 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.936 -11.666 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.733 -11.904 0.842 1.00 0.00 H new ATOM 487 N ALA A 33 18.094 -7.342 1.006 1.00 0.00 N ATOM 488 CA ALA A 33 18.324 -5.889 0.859 1.00 0.00 C ATOM 489 C ALA A 33 17.853 -5.322 -0.501 1.00 0.00 C ATOM 490 O ALA A 33 17.286 -4.235 -0.543 1.00 0.00 O ATOM 491 CB ALA A 33 19.813 -5.589 1.084 1.00 0.00 C ATOM 0 H ALA A 33 18.900 -7.836 1.389 1.00 0.00 H new ATOM 0 HA ALA A 33 17.717 -5.388 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.989 -4.519 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.100 -5.905 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.408 -6.130 0.348 1.00 0.00 H new ATOM 497 N ASP A 34 18.133 -6.043 -1.605 1.00 0.00 N ATOM 498 CA ASP A 34 17.668 -5.651 -2.959 1.00 0.00 C ATOM 499 C ASP A 34 16.128 -5.696 -3.075 1.00 0.00 C ATOM 500 O ASP A 34 15.508 -4.757 -3.580 1.00 0.00 O ATOM 501 CB ASP A 34 18.304 -6.563 -4.035 1.00 0.00 C ATOM 502 CG ASP A 34 18.033 -6.068 -5.470 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.751 -5.157 -5.938 1.00 0.00 O ATOM 504 OD2 ASP A 34 17.088 -6.558 -6.127 1.00 0.00 O ATOM 0 H ASP A 34 18.681 -6.903 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 34 17.986 -4.622 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.380 -6.616 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.914 -7.575 -3.924 1.00 0.00 H new ATOM 509 N ALA A 35 15.532 -6.811 -2.626 1.00 0.00 N ATOM 510 CA ALA A 35 14.062 -7.012 -2.630 1.00 0.00 C ATOM 511 C ALA A 35 13.347 -6.040 -1.674 1.00 0.00 C ATOM 512 O ALA A 35 12.210 -5.632 -1.903 1.00 0.00 O ATOM 513 CB ALA A 35 13.747 -8.456 -2.251 1.00 0.00 C ATOM 0 H ALA A 35 16.050 -7.604 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 35 13.693 -6.805 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.667 -8.606 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.208 -9.130 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.140 -8.665 -1.256 1.00 0.00 H new ATOM 519 N ARG A 36 14.058 -5.709 -0.599 1.00 0.00 N ATOM 520 CA ARG A 36 13.627 -4.777 0.445 1.00 0.00 C ATOM 521 C ARG A 36 13.592 -3.379 -0.148 1.00 0.00 C ATOM 522 O ARG A 36 12.606 -2.657 -0.005 1.00 0.00 O ATOM 523 CB ARG A 36 14.587 -4.890 1.673 1.00 0.00 C ATOM 524 CG ARG A 36 14.202 -4.078 2.940 1.00 0.00 C ATOM 525 CD ARG A 36 14.693 -2.617 2.931 1.00 0.00 C ATOM 526 NE ARG A 36 14.212 -1.873 4.102 1.00 0.00 N ATOM 527 CZ ARG A 36 14.077 -0.551 4.177 1.00 0.00 C ATOM 528 NH1 ARG A 36 14.416 0.239 3.163 1.00 0.00 N ATOM 529 NH2 ARG A 36 13.585 -0.019 5.279 1.00 0.00 N ATOM 0 H ARG A 36 14.985 -6.096 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 36 12.626 -5.016 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.659 -5.941 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.581 -4.575 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.117 -4.084 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.610 -4.581 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.783 -2.600 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.350 -2.124 2.021 1.00 0.00 H new ATOM 0 HE ARG A 36 13.960 -2.415 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.789 -0.165 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.303 1.250 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.314 -0.619 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.475 0.992 5.352 1.00 0.00 H new ATOM 543 N LYS A 37 14.674 -3.049 -0.867 1.00 0.00 N ATOM 544 CA LYS A 37 14.797 -1.809 -1.635 1.00 0.00 C ATOM 545 C LYS A 37 13.674 -1.699 -2.666 1.00 0.00 C ATOM 546 O LYS A 37 13.122 -0.636 -2.847 1.00 0.00 O ATOM 547 CB LYS A 37 16.170 -1.768 -2.356 1.00 0.00 C ATOM 548 CG LYS A 37 16.369 -0.594 -3.353 1.00 0.00 C ATOM 549 CD LYS A 37 17.638 -0.758 -4.220 1.00 0.00 C ATOM 550 CE LYS A 37 17.589 -2.015 -5.114 1.00 0.00 C ATOM 551 NZ LYS A 37 18.834 -2.204 -5.893 1.00 0.00 N ATOM 0 H LYS A 37 15.498 -3.647 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 37 14.723 -0.968 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.955 -1.718 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.306 -2.706 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.497 -0.522 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.431 0.342 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.761 0.125 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.512 -0.812 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.416 -2.893 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.744 -1.938 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.008 -3.220 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.737 -1.743 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.633 -1.782 -5.378 1.00 0.00 H new ATOM 565 N ALA A 38 13.305 -2.838 -3.270 1.00 0.00 N ATOM 566 CA ALA A 38 12.386 -2.884 -4.407 1.00 0.00 C ATOM 567 C ALA A 38 10.931 -2.712 -3.937 1.00 0.00 C ATOM 568 O ALA A 38 10.140 -1.991 -4.570 1.00 0.00 O ATOM 569 CB ALA A 38 12.577 -4.213 -5.159 1.00 0.00 C ATOM 0 H ALA A 38 13.640 -3.756 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 38 12.607 -2.061 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.894 -4.252 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.604 -4.284 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.368 -5.045 -4.486 1.00 0.00 H new ATOM 575 N THR A 39 10.601 -3.365 -2.797 1.00 0.00 N ATOM 576 CA THR A 39 9.253 -3.321 -2.214 1.00 0.00 C ATOM 577 C THR A 39 8.981 -1.917 -1.660 1.00 0.00 C ATOM 578 O THR A 39 7.963 -1.319 -1.977 1.00 0.00 O ATOM 579 CB THR A 39 9.083 -4.392 -1.085 1.00 0.00 C ATOM 580 OG1 THR A 39 9.409 -5.691 -1.592 1.00 0.00 O ATOM 581 CG2 THR A 39 7.649 -4.423 -0.528 1.00 0.00 C ATOM 0 H THR A 39 11.262 -3.931 -2.265 1.00 0.00 H new ATOM 0 HA THR A 39 8.531 -3.551 -2.998 1.00 0.00 H new ATOM 0 HB THR A 39 9.759 -4.116 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.377 -5.754 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.578 -5.181 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.400 -3.447 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.952 -4.663 -1.331 1.00 0.00 H new ATOM 589 N ILE A 40 9.956 -1.398 -0.889 1.00 0.00 N ATOM 590 CA ILE A 40 9.905 -0.045 -0.306 1.00 0.00 C ATOM 591 C ILE A 40 9.842 1.025 -1.419 1.00 0.00 C ATOM 592 O ILE A 40 9.000 1.913 -1.363 1.00 0.00 O ATOM 593 CB ILE A 40 11.123 0.203 0.672 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.016 -0.716 1.941 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.259 1.687 1.086 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.776 -0.490 2.803 1.00 0.00 C ATOM 0 H ILE A 40 10.806 -1.910 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 40 8.994 0.037 0.287 1.00 0.00 H new ATOM 0 HB ILE A 40 12.026 -0.059 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.030 -1.757 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.901 -0.561 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.110 1.801 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.413 2.300 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.350 2.007 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.795 -1.172 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.766 0.539 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.881 -0.676 2.209 1.00 0.00 H new ATOM 608 N LEU A 41 10.684 0.875 -2.457 1.00 0.00 N ATOM 609 CA LEU A 41 10.696 1.766 -3.649 1.00 0.00 C ATOM 610 C LEU A 41 9.305 1.839 -4.303 1.00 0.00 C ATOM 611 O LEU A 41 8.878 2.905 -4.744 1.00 0.00 O ATOM 612 CB LEU A 41 11.814 1.304 -4.652 1.00 0.00 C ATOM 613 CG LEU A 41 11.683 1.681 -6.181 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.067 1.973 -6.813 1.00 0.00 C ATOM 615 CD2 LEU A 41 10.970 0.550 -6.973 1.00 0.00 C ATOM 0 H LEU A 41 11.381 0.132 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 41 10.937 2.781 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.762 1.707 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.885 0.218 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 41 11.080 2.587 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.940 2.229 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.537 2.807 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.699 1.089 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.892 0.834 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.545 -0.372 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.972 0.394 -6.565 1.00 0.00 H new ATOM 627 N GLN A 42 8.583 0.703 -4.289 1.00 0.00 N ATOM 628 CA GLN A 42 7.220 0.603 -4.842 1.00 0.00 C ATOM 629 C GLN A 42 6.222 1.307 -3.890 1.00 0.00 C ATOM 630 O GLN A 42 5.377 2.090 -4.326 1.00 0.00 O ATOM 631 CB GLN A 42 6.851 -0.901 -5.014 1.00 0.00 C ATOM 632 CG GLN A 42 5.553 -1.172 -5.797 1.00 0.00 C ATOM 633 CD GLN A 42 5.079 -2.629 -5.702 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.489 -3.478 -6.481 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.201 -2.920 -4.756 1.00 0.00 N ATOM 0 H GLN A 42 8.929 -0.171 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 42 7.172 1.093 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.674 -1.405 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.761 -1.352 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.767 -0.516 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.709 -0.916 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.876 -2.192 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.849 -3.873 -4.663 1.00 0.00 H new ATOM 644 N THR A 43 6.413 1.044 -2.580 1.00 0.00 N ATOM 645 CA THR A 43 5.519 1.471 -1.484 1.00 0.00 C ATOM 646 C THR A 43 5.400 2.997 -1.388 1.00 0.00 C ATOM 647 O THR A 43 4.303 3.525 -1.479 1.00 0.00 O ATOM 648 CB THR A 43 6.027 0.879 -0.125 1.00 0.00 C ATOM 649 OG1 THR A 43 6.119 -0.541 -0.237 1.00 0.00 O ATOM 650 CG2 THR A 43 5.125 1.218 1.073 1.00 0.00 C ATOM 0 H THR A 43 7.217 0.513 -2.246 1.00 0.00 H new ATOM 0 HA THR A 43 4.523 1.087 -1.704 1.00 0.00 H new ATOM 0 HB THR A 43 6.999 1.334 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.005 -0.786 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.540 0.775 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.069 2.300 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.125 0.820 0.900 1.00 0.00 H new ATOM 658 N LEU A 44 6.552 3.684 -1.286 1.00 0.00 N ATOM 659 CA LEU A 44 6.614 5.147 -1.022 1.00 0.00 C ATOM 660 C LEU A 44 5.920 5.951 -2.146 1.00 0.00 C ATOM 661 O LEU A 44 5.387 7.039 -1.914 1.00 0.00 O ATOM 662 CB LEU A 44 8.091 5.603 -0.844 1.00 0.00 C ATOM 663 CG LEU A 44 9.013 4.701 0.051 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.372 5.372 0.296 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.339 4.272 1.380 1.00 0.00 C ATOM 0 H LEU A 44 7.469 3.248 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 44 6.076 5.347 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.545 5.675 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.087 6.608 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 44 9.184 3.781 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.990 4.725 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.871 5.542 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.221 6.326 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.027 3.651 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.081 5.158 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.434 3.705 1.162 1.00 0.00 H new ATOM 677 N ARG A 45 5.927 5.381 -3.359 1.00 0.00 N ATOM 678 CA ARG A 45 5.251 5.966 -4.527 1.00 0.00 C ATOM 679 C ARG A 45 3.724 5.711 -4.461 1.00 0.00 C ATOM 680 O ARG A 45 2.927 6.618 -4.717 1.00 0.00 O ATOM 681 CB ARG A 45 5.860 5.386 -5.833 1.00 0.00 C ATOM 682 CG ARG A 45 7.359 5.734 -6.045 1.00 0.00 C ATOM 683 CD ARG A 45 7.944 5.159 -7.357 1.00 0.00 C ATOM 684 NE ARG A 45 8.055 3.680 -7.330 1.00 0.00 N ATOM 685 CZ ARG A 45 7.365 2.815 -8.094 1.00 0.00 C ATOM 686 NH1 ARG A 45 6.441 3.243 -8.945 1.00 0.00 N ATOM 687 NH2 ARG A 45 7.602 1.515 -8.002 1.00 0.00 N ATOM 0 H ARG A 45 6.402 4.501 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 45 5.405 7.045 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.748 4.302 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.288 5.757 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.476 6.818 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.935 5.354 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.313 5.457 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.929 5.591 -7.531 1.00 0.00 H new ATOM 0 HE ARG A 45 8.719 3.280 -6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.246 4.241 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.926 2.574 -9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.308 1.170 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.079 0.859 -8.582 1.00 0.00 H new ATOM 701 N ILE A 46 3.335 4.480 -4.080 1.00 0.00 N ATOM 702 CA ILE A 46 1.916 4.042 -4.059 1.00 0.00 C ATOM 703 C ILE A 46 1.107 4.714 -2.918 1.00 0.00 C ATOM 704 O ILE A 46 -0.003 5.203 -3.164 1.00 0.00 O ATOM 705 CB ILE A 46 1.818 2.461 -3.980 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.277 1.832 -5.336 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.402 1.959 -3.584 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.166 0.315 -5.424 1.00 0.00 C ATOM 0 H ILE A 46 3.989 3.758 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 46 1.464 4.369 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 46 2.487 2.134 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.684 2.270 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.314 2.114 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.399 0.870 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.136 2.356 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.324 2.299 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.509 -0.019 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.782 -0.140 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.127 0.017 -5.283 1.00 0.00 H new ATOM 720 N GLU A 47 1.701 4.763 -1.703 1.00 0.00 N ATOM 721 CA GLU A 47 1.025 5.223 -0.457 1.00 0.00 C ATOM 722 C GLU A 47 0.336 6.580 -0.641 1.00 0.00 C ATOM 723 O GLU A 47 -0.841 6.733 -0.296 1.00 0.00 O ATOM 724 CB GLU A 47 2.032 5.361 0.712 1.00 0.00 C ATOM 725 CG GLU A 47 2.689 4.074 1.209 1.00 0.00 C ATOM 726 CD GLU A 47 3.751 4.343 2.289 1.00 0.00 C ATOM 727 OE1 GLU A 47 4.912 4.625 1.933 1.00 0.00 O ATOM 728 OE2 GLU A 47 3.423 4.301 3.500 1.00 0.00 O ATOM 0 H GLU A 47 2.670 4.483 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 47 0.278 4.463 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.820 6.048 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.516 5.826 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.924 3.410 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.151 3.556 0.369 1.00 0.00 H new ATOM 735 N ARG A 48 1.099 7.549 -1.191 1.00 0.00 N ATOM 736 CA ARG A 48 0.616 8.919 -1.398 1.00 0.00 C ATOM 737 C ARG A 48 -0.559 8.950 -2.390 1.00 0.00 C ATOM 738 O ARG A 48 -1.605 9.483 -2.057 1.00 0.00 O ATOM 739 CB ARG A 48 1.756 9.884 -1.832 1.00 0.00 C ATOM 740 CG ARG A 48 2.548 9.480 -3.095 1.00 0.00 C ATOM 741 CD ARG A 48 3.665 10.487 -3.423 1.00 0.00 C ATOM 742 NE ARG A 48 3.140 11.854 -3.618 1.00 0.00 N ATOM 743 CZ ARG A 48 3.882 12.961 -3.800 1.00 0.00 C ATOM 744 NH1 ARG A 48 5.208 12.904 -3.838 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.274 14.125 -3.965 1.00 0.00 N ATOM 0 H ARG A 48 2.059 7.399 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 48 0.250 9.279 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.324 10.871 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.458 9.980 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.983 8.491 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.866 9.406 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.397 10.492 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.187 10.168 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 48 2.126 11.968 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.683 12.008 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.751 13.756 -3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.255 14.174 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.824 14.973 -4.104 1.00 0.00 H new ATOM 759 N ASP A 49 -0.413 8.316 -3.574 1.00 0.00 N ATOM 760 CA ASP A 49 -1.474 8.325 -4.616 1.00 0.00 C ATOM 761 C ASP A 49 -2.781 7.723 -4.073 1.00 0.00 C ATOM 762 O ASP A 49 -3.870 8.241 -4.334 1.00 0.00 O ATOM 763 CB ASP A 49 -1.014 7.557 -5.885 1.00 0.00 C ATOM 764 CG ASP A 49 -2.068 7.556 -7.021 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.129 8.538 -7.789 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.839 6.574 -7.152 1.00 0.00 O ATOM 0 H ASP A 49 0.423 7.793 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.660 9.363 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.091 8.003 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.783 6.527 -5.613 1.00 0.00 H new ATOM 771 N GLU A 50 -2.631 6.660 -3.278 1.00 0.00 N ATOM 772 CA GLU A 50 -3.751 5.945 -2.669 1.00 0.00 C ATOM 773 C GLU A 50 -4.496 6.805 -1.636 1.00 0.00 C ATOM 774 O GLU A 50 -5.714 6.882 -1.695 1.00 0.00 O ATOM 775 CB GLU A 50 -3.253 4.629 -2.036 1.00 0.00 C ATOM 776 CG GLU A 50 -2.863 3.544 -3.056 1.00 0.00 C ATOM 777 CD GLU A 50 -4.060 3.026 -3.872 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.727 2.071 -3.424 1.00 0.00 O ATOM 779 OE2 GLU A 50 -4.355 3.584 -4.944 1.00 0.00 O ATOM 0 H GLU A 50 -1.720 6.270 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.467 5.713 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.390 4.846 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.033 4.235 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.113 3.947 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.400 2.709 -2.530 1.00 0.00 H new ATOM 786 N ARG A 51 -3.767 7.461 -0.714 1.00 0.00 N ATOM 787 CA ARG A 51 -4.393 8.293 0.343 1.00 0.00 C ATOM 788 C ARG A 51 -4.940 9.619 -0.232 1.00 0.00 C ATOM 789 O ARG A 51 -5.859 10.204 0.331 1.00 0.00 O ATOM 790 CB ARG A 51 -3.419 8.525 1.531 1.00 0.00 C ATOM 791 CG ARG A 51 -2.138 9.315 1.191 1.00 0.00 C ATOM 792 CD ARG A 51 -1.125 9.328 2.352 1.00 0.00 C ATOM 793 NE ARG A 51 -1.688 9.920 3.584 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.301 9.621 4.841 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.391 8.678 5.072 1.00 0.00 N ATOM 796 NH2 ARG A 51 -1.858 10.245 5.868 1.00 0.00 N ATOM 0 H ARG A 51 -2.748 7.434 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.248 7.743 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.954 9.055 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.131 7.555 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.669 8.878 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.405 10.340 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.799 8.308 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.241 9.891 2.053 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.430 10.611 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.025 8.169 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.110 8.464 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.578 10.950 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.567 10.021 6.820 1.00 0.00 H new ATOM 810 N LEU A 52 -4.360 10.076 -1.359 1.00 0.00 N ATOM 811 CA LEU A 52 -4.861 11.245 -2.115 1.00 0.00 C ATOM 812 C LEU A 52 -6.270 10.948 -2.670 1.00 0.00 C ATOM 813 O LEU A 52 -7.221 11.705 -2.440 1.00 0.00 O ATOM 814 CB LEU A 52 -3.865 11.621 -3.274 1.00 0.00 C ATOM 815 CG LEU A 52 -2.853 12.777 -2.987 1.00 0.00 C ATOM 816 CD1 LEU A 52 -3.572 14.116 -2.816 1.00 0.00 C ATOM 817 CD2 LEU A 52 -1.965 12.476 -1.784 1.00 0.00 C ATOM 0 H LEU A 52 -3.532 9.647 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.928 12.100 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.296 10.729 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.452 11.893 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.202 12.852 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.840 14.899 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.120 14.354 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.269 14.051 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.278 13.306 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.586 12.341 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.396 11.565 -1.971 1.00 0.00 H new ATOM 829 N ARG A 53 -6.376 9.815 -3.383 1.00 0.00 N ATOM 830 CA ARG A 53 -7.630 9.379 -4.024 1.00 0.00 C ATOM 831 C ARG A 53 -8.597 8.745 -3.001 1.00 0.00 C ATOM 832 O ARG A 53 -9.791 8.622 -3.278 1.00 0.00 O ATOM 833 CB ARG A 53 -7.322 8.414 -5.201 1.00 0.00 C ATOM 834 CG ARG A 53 -6.801 7.017 -4.792 1.00 0.00 C ATOM 835 CD ARG A 53 -6.243 6.211 -5.977 1.00 0.00 C ATOM 836 NE ARG A 53 -7.239 6.025 -7.054 1.00 0.00 N ATOM 837 CZ ARG A 53 -6.945 5.798 -8.345 1.00 0.00 C ATOM 838 NH1 ARG A 53 -5.683 5.716 -8.757 1.00 0.00 N ATOM 839 NH2 ARG A 53 -7.930 5.651 -9.218 1.00 0.00 N ATOM 0 H ARG A 53 -5.596 9.175 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.134 10.257 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.229 8.287 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.583 8.883 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.021 7.133 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.611 6.455 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.368 6.721 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.908 5.236 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.225 6.073 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.920 5.826 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.478 5.543 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.900 5.711 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.719 5.478 -10.201 1.00 0.00 H new ATOM 853 N ALA A 54 -8.069 8.325 -1.830 1.00 0.00 N ATOM 854 CA ALA A 54 -8.895 7.793 -0.725 1.00 0.00 C ATOM 855 C ALA A 54 -9.671 8.935 -0.057 1.00 0.00 C ATOM 856 O ALA A 54 -10.864 8.816 0.197 1.00 0.00 O ATOM 857 CB ALA A 54 -8.034 7.055 0.313 1.00 0.00 C ATOM 0 H ALA A 54 -7.070 8.345 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.600 7.075 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.672 6.676 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.520 6.222 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.299 7.743 0.731 1.00 0.00 H new ATOM 863 N CYS A 55 -8.967 10.060 0.174 1.00 0.00 N ATOM 864 CA CYS A 55 -9.542 11.276 0.789 1.00 0.00 C ATOM 865 C CYS A 55 -10.433 12.070 -0.195 1.00 0.00 C ATOM 866 O CYS A 55 -11.034 13.086 0.181 1.00 0.00 O ATOM 867 CB CYS A 55 -8.393 12.149 1.309 1.00 0.00 C ATOM 868 SG CYS A 55 -7.395 11.306 2.548 1.00 0.00 S ATOM 0 H CYS A 55 -7.979 10.153 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.191 10.976 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.758 12.443 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.801 13.065 1.737 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.446 10.640 1.961 1.00 0.00 H new ATOM 874 N ASP A 56 -10.516 11.583 -1.448 1.00 0.00 N ATOM 875 CA ASP A 56 -11.345 12.176 -2.519 1.00 0.00 C ATOM 876 C ASP A 56 -12.858 11.877 -2.300 1.00 0.00 C ATOM 877 O ASP A 56 -13.727 12.462 -2.976 1.00 0.00 O ATOM 878 CB ASP A 56 -10.856 11.638 -3.892 1.00 0.00 C ATOM 879 CG ASP A 56 -11.511 12.324 -5.100 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.074 13.434 -5.462 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.457 11.755 -5.699 1.00 0.00 O ATOM 0 H ASP A 56 -10.003 10.755 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.234 13.260 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.775 11.765 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.055 10.567 -3.943 1.00 0.00 H new ATOM 886 N TRP A 57 -13.167 10.988 -1.311 1.00 0.00 N ATOM 887 CA TRP A 57 -14.561 10.644 -0.926 1.00 0.00 C ATOM 888 C TRP A 57 -15.336 11.894 -0.467 1.00 0.00 C ATOM 889 O TRP A 57 -16.552 11.924 -0.541 1.00 0.00 O ATOM 890 CB TRP A 57 -14.605 9.542 0.186 1.00 0.00 C ATOM 891 CG TRP A 57 -14.176 9.977 1.586 1.00 0.00 C ATOM 892 CD1 TRP A 57 -12.904 10.065 2.076 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.034 10.374 2.675 1.00 0.00 C ATOM 894 NE1 TRP A 57 -12.917 10.475 3.383 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.205 10.668 3.776 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.415 10.508 2.822 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.710 11.087 5.006 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -16.918 10.924 4.044 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.065 11.213 5.121 1.00 0.00 C ATOM 0 H TRP A 57 -12.460 10.496 -0.765 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.044 10.241 -1.816 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -15.622 9.155 0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.967 8.715 -0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.011 9.842 1.511 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.093 10.613 3.968 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.079 10.291 1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.054 11.304 5.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.986 11.028 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.489 11.541 6.059 1.00 0.00 H new ATOM 910 N THR A 58 -14.598 12.902 0.017 1.00 0.00 N ATOM 911 CA THR A 58 -15.162 14.178 0.482 1.00 0.00 C ATOM 912 C THR A 58 -15.367 15.157 -0.681 1.00 0.00 C ATOM 913 O THR A 58 -16.315 15.948 -0.682 1.00 0.00 O ATOM 914 CB THR A 58 -14.208 14.814 1.521 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.922 15.034 0.920 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.049 13.908 2.735 1.00 0.00 C ATOM 0 H THR A 58 -13.582 12.855 0.098 1.00 0.00 H new ATOM 0 HA THR A 58 -16.133 13.975 0.934 1.00 0.00 H new ATOM 0 HB THR A 58 -14.634 15.763 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.420 14.193 0.905 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.374 14.375 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.022 13.751 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.637 12.949 2.422 1.00 0.00 H new ATOM 924 N GLN A 59 -14.460 15.077 -1.663 1.00 0.00 N ATOM 925 CA GLN A 59 -14.398 16.002 -2.804 1.00 0.00 C ATOM 926 C GLN A 59 -15.620 15.862 -3.710 1.00 0.00 C ATOM 927 O GLN A 59 -16.099 16.858 -4.270 1.00 0.00 O ATOM 928 CB GLN A 59 -13.095 15.757 -3.608 1.00 0.00 C ATOM 929 CG GLN A 59 -11.809 15.918 -2.783 1.00 0.00 C ATOM 930 CD GLN A 59 -11.723 17.277 -2.093 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.274 18.244 -2.687 1.00 0.00 O ATOM 932 NE2 GLN A 59 -12.143 17.351 -0.832 1.00 0.00 N ATOM 0 H GLN A 59 -13.738 14.357 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.396 17.020 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.122 14.751 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.064 16.450 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.762 15.129 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.945 15.790 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.512 16.521 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.095 18.238 -0.330 1.00 0.00 H new ATOM 941 N VAL A 60 -16.108 14.621 -3.849 1.00 0.00 N ATOM 942 CA VAL A 60 -17.307 14.328 -4.653 1.00 0.00 C ATOM 943 C VAL A 60 -18.591 14.867 -3.985 1.00 0.00 C ATOM 944 O VAL A 60 -18.629 15.127 -2.772 1.00 0.00 O ATOM 945 CB VAL A 60 -17.452 12.788 -4.934 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.218 12.253 -5.696 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.692 11.994 -3.627 1.00 0.00 C ATOM 0 H VAL A 60 -15.689 13.799 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.176 14.842 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.329 12.644 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.339 11.186 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.122 12.777 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.321 12.419 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.788 10.933 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.850 12.144 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.607 12.345 -3.151 1.00 0.00 H new ATOM 957 N GLN A 61 -19.638 15.020 -4.806 1.00 0.00 N ATOM 958 CA GLN A 61 -20.956 15.506 -4.368 1.00 0.00 C ATOM 959 C GLN A 61 -21.856 14.346 -3.878 1.00 0.00 C ATOM 960 O GLN A 61 -22.966 14.587 -3.399 1.00 0.00 O ATOM 961 CB GLN A 61 -21.641 16.276 -5.528 1.00 0.00 C ATOM 962 CG GLN A 61 -21.960 15.417 -6.764 1.00 0.00 C ATOM 963 CD GLN A 61 -22.527 16.213 -7.933 1.00 0.00 C ATOM 964 OE1 GLN A 61 -21.791 16.680 -8.799 1.00 0.00 O ATOM 965 NE2 GLN A 61 -23.832 16.419 -7.941 1.00 0.00 N ATOM 0 H GLN A 61 -19.595 14.808 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.809 16.181 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.567 16.716 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.995 17.100 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.051 14.910 -7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.674 14.643 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -24.416 16.017 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -24.255 16.980 -8.681 1.00 0.00 H new ATOM 974 N ASP A 62 -21.366 13.093 -4.029 1.00 0.00 N ATOM 975 CA ASP A 62 -22.056 11.874 -3.534 1.00 0.00 C ATOM 976 C ASP A 62 -22.201 11.916 -2.009 1.00 0.00 C ATOM 977 O ASP A 62 -23.190 11.418 -1.453 1.00 0.00 O ATOM 978 CB ASP A 62 -21.274 10.600 -3.962 1.00 0.00 C ATOM 979 CG ASP A 62 -21.243 10.405 -5.486 1.00 0.00 C ATOM 980 OD1 ASP A 62 -20.519 11.154 -6.178 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.957 9.518 -6.007 1.00 0.00 O ATOM 0 H ASP A 62 -20.481 12.897 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.052 11.841 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.252 10.663 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.730 9.726 -3.498 1.00 0.00 H new ATOM 986 N VAL A 63 -21.202 12.514 -1.340 1.00 0.00 N ATOM 987 CA VAL A 63 -21.239 12.762 0.102 1.00 0.00 C ATOM 988 C VAL A 63 -21.832 14.165 0.370 1.00 0.00 C ATOM 989 O VAL A 63 -21.687 15.085 -0.454 1.00 0.00 O ATOM 990 CB VAL A 63 -19.804 12.631 0.735 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.862 13.770 0.272 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.871 12.542 2.276 1.00 0.00 C ATOM 0 H VAL A 63 -20.346 12.838 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.874 12.011 0.572 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.378 11.696 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.882 13.642 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.760 13.740 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.280 14.732 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.862 12.452 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.342 13.442 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.456 11.669 2.565 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.518 14.310 1.511 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.089 15.581 1.970 1.00 0.00 C ATOM 1004 C VAL A 64 -22.317 16.023 3.224 1.00 0.00 C ATOM 1005 O VAL A 64 -22.591 15.565 4.338 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.637 15.454 2.248 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.253 16.806 2.702 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.381 14.905 1.000 1.00 0.00 C ATOM 0 H VAL A 64 -22.694 13.535 2.150 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.986 16.337 1.192 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.762 14.744 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.320 16.677 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.766 17.138 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.105 17.553 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.446 14.827 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.231 15.583 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.989 13.920 0.747 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.290 16.854 3.003 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.428 17.418 4.057 1.00 0.00 C ATOM 1020 C LEU A 65 -20.450 18.945 3.943 1.00 0.00 C ATOM 1021 O LEU A 65 -20.748 19.485 2.868 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.977 16.878 3.902 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.721 15.397 4.321 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.297 14.946 3.933 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.957 15.208 5.834 1.00 0.00 C ATOM 0 H LEU A 65 -21.027 17.161 2.067 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.796 17.123 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.684 16.990 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.315 17.515 4.488 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.431 14.771 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.148 13.910 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.171 15.029 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.565 15.580 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.773 14.168 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.278 15.853 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.987 15.469 6.077 1.00 0.00 H new ATOM 1037 N THR A 66 -20.114 19.643 5.036 1.00 0.00 N ATOM 1038 CA THR A 66 -20.068 21.114 5.053 1.00 0.00 C ATOM 1039 C THR A 66 -18.897 21.620 4.190 1.00 0.00 C ATOM 1040 O THR A 66 -18.008 20.838 3.816 1.00 0.00 O ATOM 1041 CB THR A 66 -19.934 21.661 6.515 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.716 21.181 7.099 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.131 21.254 7.404 1.00 0.00 C ATOM 0 H THR A 66 -19.868 19.210 5.926 1.00 0.00 H new ATOM 0 HA THR A 66 -21.005 21.484 4.637 1.00 0.00 H new ATOM 0 HB THR A 66 -19.922 22.749 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.633 21.526 8.013 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.992 21.656 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.052 21.651 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.194 20.167 7.454 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.915 22.926 3.857 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.796 23.577 3.146 1.00 0.00 C ATOM 1053 C ALA A 67 -16.493 23.413 3.954 1.00 0.00 C ATOM 1054 O ALA A 67 -15.464 23.049 3.405 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.101 25.062 2.884 1.00 0.00 C ATOM 0 H ALA A 67 -19.693 23.551 4.069 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.668 23.092 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.262 25.519 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -19.000 25.147 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.258 25.574 3.833 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.600 23.657 5.280 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.512 23.439 6.265 1.00 0.00 C ATOM 1063 C ASP A 68 -14.865 22.042 6.128 1.00 0.00 C ATOM 1064 O ASP A 68 -13.644 21.923 6.068 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.050 23.617 7.703 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.739 24.971 7.898 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -16.056 25.965 8.213 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.974 25.050 7.702 1.00 0.00 O ATOM 0 H ASP A 68 -17.456 24.016 5.703 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.743 24.184 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.755 22.817 7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.227 23.524 8.411 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.724 21.012 6.048 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.295 19.606 5.850 1.00 0.00 C ATOM 1075 C GLN A 69 -14.569 19.455 4.495 1.00 0.00 C ATOM 1076 O GLN A 69 -13.355 19.262 4.457 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.519 18.645 5.929 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.092 18.413 7.346 1.00 0.00 C ATOM 1079 CD GLN A 69 -16.311 17.386 8.179 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -15.103 17.195 8.012 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -17.005 16.719 9.089 1.00 0.00 N ATOM 0 H GLN A 69 -16.735 21.124 6.118 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.600 19.338 6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.312 19.042 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.230 17.681 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.106 19.363 7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.127 18.082 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.002 16.900 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.542 16.025 9.676 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.306 19.705 3.408 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.858 19.438 2.017 1.00 0.00 C ATOM 1092 C LYS A 70 -13.637 20.290 1.595 1.00 0.00 C ATOM 1093 O LYS A 70 -12.861 19.861 0.744 1.00 0.00 O ATOM 1094 CB LYS A 70 -16.042 19.637 1.032 1.00 0.00 C ATOM 1095 CG LYS A 70 -17.141 18.557 1.164 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.326 18.775 0.192 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.232 17.533 0.068 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.354 17.734 -0.884 1.00 0.00 N ATOM 0 H LYS A 70 -16.244 20.103 3.459 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.526 18.401 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.485 20.618 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.660 19.633 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.703 17.576 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.515 18.551 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.921 19.621 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.939 19.037 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.633 16.683 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.634 17.283 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.969 16.895 -0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.905 18.569 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.975 17.879 -1.842 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.470 21.468 2.218 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.403 22.436 1.857 1.00 0.00 C ATOM 1114 C ALA A 71 -11.097 22.081 2.592 1.00 0.00 C ATOM 1115 O ALA A 71 -10.032 22.066 1.996 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.832 23.875 2.170 1.00 0.00 C ATOM 0 H ALA A 71 -14.065 21.782 2.985 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.229 22.371 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -12.031 24.561 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.730 24.119 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -13.041 23.969 3.236 1.00 0.00 H new ATOM 1122 N THR A 72 -11.209 21.881 3.919 1.00 0.00 N ATOM 1123 CA THR A 72 -10.114 21.310 4.749 1.00 0.00 C ATOM 1124 C THR A 72 -9.550 20.003 4.142 1.00 0.00 C ATOM 1125 O THR A 72 -8.328 19.823 4.056 1.00 0.00 O ATOM 1126 CB THR A 72 -10.592 21.056 6.208 1.00 0.00 C ATOM 1127 OG1 THR A 72 -10.996 22.307 6.783 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.509 20.417 7.096 1.00 0.00 C ATOM 0 H THR A 72 -12.051 22.106 4.449 1.00 0.00 H new ATOM 0 HA THR A 72 -9.312 22.048 4.764 1.00 0.00 H new ATOM 0 HB THR A 72 -11.422 20.351 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.963 22.421 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.905 20.266 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.213 19.457 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.642 21.076 7.143 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.459 19.119 3.699 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.106 17.865 3.013 1.00 0.00 C ATOM 1138 C TRP A 73 -9.488 18.143 1.616 1.00 0.00 C ATOM 1139 O TRP A 73 -8.572 17.429 1.187 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.358 16.958 2.897 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.688 16.154 4.145 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.608 16.435 5.126 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.121 14.886 4.501 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -12.635 15.429 6.054 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -11.734 14.468 5.694 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.157 14.068 3.918 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -11.411 13.271 6.312 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -9.838 12.881 4.537 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -10.467 12.488 5.720 1.00 0.00 C ATOM 0 H TRP A 73 -11.464 19.255 3.807 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.351 17.347 3.604 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.217 17.581 2.647 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.212 16.267 2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.222 17.323 5.160 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.232 15.402 6.881 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.670 14.359 2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.891 12.969 7.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.086 12.241 4.099 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.200 11.545 6.174 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.994 19.195 0.930 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.461 19.644 -0.381 1.00 0.00 C ATOM 1162 C ALA A 74 -8.046 20.197 -0.239 1.00 0.00 C ATOM 1163 O ALA A 74 -7.197 19.963 -1.086 1.00 0.00 O ATOM 1164 CB ALA A 74 -10.372 20.719 -1.005 1.00 0.00 C ATOM 0 H ALA A 74 -10.778 19.754 1.266 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.435 18.774 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.961 21.032 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.370 20.308 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.430 21.579 -0.337 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.809 20.882 0.881 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.564 21.608 1.154 1.00 0.00 C ATOM 1172 C LYS A 75 -5.482 20.621 1.608 1.00 0.00 C ATOM 1173 O LYS A 75 -4.296 20.810 1.332 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.838 22.683 2.234 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.620 23.541 2.632 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.980 24.670 3.621 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.947 25.701 3.016 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.291 26.767 3.983 1.00 0.00 N ATOM 0 H LYS A 75 -8.488 20.950 1.639 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.206 22.104 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.626 23.345 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.221 22.189 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.861 22.900 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.180 23.977 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.430 24.236 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.068 25.175 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.495 26.147 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.858 25.198 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.945 27.442 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.745 26.345 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.425 27.264 4.274 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.933 19.574 2.324 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.115 18.412 2.697 1.00 0.00 C ATOM 1194 C TYR A 76 -4.594 17.701 1.429 1.00 0.00 C ATOM 1195 O TYR A 76 -3.405 17.373 1.318 1.00 0.00 O ATOM 1196 CB TYR A 76 -5.962 17.436 3.572 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.330 16.057 3.741 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.128 15.911 4.420 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -5.897 14.914 3.165 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -3.535 14.686 4.548 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.295 13.682 3.293 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.111 13.571 3.980 1.00 0.00 C ATOM 1203 OH TYR A 76 -3.499 12.341 4.113 1.00 0.00 O ATOM 0 H TYR A 76 -6.893 19.514 2.664 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.255 18.745 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.111 17.881 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.948 17.321 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.654 16.779 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.821 15.000 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.610 14.592 5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.752 12.807 2.855 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.591 12.463 4.461 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.523 17.489 0.493 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.268 16.828 -0.793 1.00 0.00 C ATOM 1215 C ARG A 77 -4.253 17.648 -1.624 1.00 0.00 C ATOM 1216 O ARG A 77 -3.237 17.121 -2.083 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.634 16.672 -1.521 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.578 16.075 -2.938 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.965 16.015 -3.607 1.00 0.00 C ATOM 1220 NE ARG A 77 -8.652 17.326 -3.581 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.640 18.248 -4.562 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.964 18.048 -5.684 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.326 19.372 -4.411 1.00 0.00 N ATOM 0 H ARG A 77 -6.494 17.778 0.609 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.825 15.843 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.280 16.043 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.106 17.653 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.906 16.672 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.158 15.071 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.855 15.684 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.581 15.273 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.185 17.552 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.440 17.183 -5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.968 18.759 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.858 19.534 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.322 20.075 -5.150 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.519 18.957 -1.756 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.648 19.898 -2.481 1.00 0.00 C ATOM 1239 C GLN A 78 -2.251 20.021 -1.827 1.00 0.00 C ATOM 1240 O GLN A 78 -1.255 20.236 -2.528 1.00 0.00 O ATOM 1241 CB GLN A 78 -4.336 21.289 -2.565 1.00 0.00 C ATOM 1242 CG GLN A 78 -5.646 21.329 -3.388 1.00 0.00 C ATOM 1243 CD GLN A 78 -5.465 20.937 -4.852 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -5.187 21.782 -5.700 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -5.605 19.654 -5.159 1.00 0.00 N ATOM 0 H GLN A 78 -5.350 19.396 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.495 19.506 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.551 21.631 -1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.632 21.999 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.373 20.659 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.064 22.334 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.836 18.978 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.481 19.344 -6.123 1.00 0.00 H new ATOM 1254 N ALA A 79 -2.192 19.861 -0.492 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.933 19.941 0.273 1.00 0.00 C ATOM 1256 C ALA A 79 -0.048 18.715 0.027 1.00 0.00 C ATOM 1257 O ALA A 79 1.142 18.852 -0.246 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.222 20.095 1.773 1.00 0.00 C ATOM 0 H ALA A 79 -3.012 19.673 0.085 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.392 20.821 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.281 20.152 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.796 21.006 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.794 19.236 2.123 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.662 17.525 0.091 1.00 0.00 N ATOM 1265 CA LEU A 80 0.061 16.242 0.069 1.00 0.00 C ATOM 1266 C LEU A 80 0.595 15.951 -1.349 1.00 0.00 C ATOM 1267 O LEU A 80 1.730 15.486 -1.503 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.876 15.104 0.577 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.200 13.868 1.278 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.261 12.899 1.809 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.806 13.113 0.368 1.00 0.00 C ATOM 0 H LEU A 80 -1.675 17.423 0.160 1.00 0.00 H new ATOM 0 HA LEU A 80 0.921 16.297 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.587 15.541 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.451 14.736 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 80 0.376 14.273 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.772 12.052 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.893 13.413 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.874 12.542 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.233 12.273 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.289 12.743 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.603 13.792 0.065 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.219 16.255 -2.382 1.00 0.00 N ATOM 1284 CA ARG A 81 0.185 16.033 -3.789 1.00 0.00 C ATOM 1285 C ARG A 81 1.384 16.933 -4.159 1.00 0.00 C ATOM 1286 O ARG A 81 2.192 16.584 -5.019 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.995 16.275 -4.766 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.421 17.756 -4.932 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.524 17.931 -5.984 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.802 19.348 -6.294 1.00 0.00 N ATOM 1291 CZ ARG A 81 -3.011 19.839 -7.530 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -2.891 19.063 -8.606 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -3.327 21.112 -7.684 1.00 0.00 N ATOM 0 H ARG A 81 -1.152 16.652 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 81 0.487 14.990 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.722 15.880 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.856 15.703 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.772 18.140 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.553 18.352 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.232 17.415 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.438 17.456 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.838 20.004 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.637 18.081 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.053 19.451 -9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.412 21.719 -6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.486 21.488 -8.618 1.00 0.00 H new ATOM 1307 N ASP A 82 1.497 18.076 -3.451 1.00 0.00 N ATOM 1308 CA ASP A 82 2.525 19.100 -3.683 1.00 0.00 C ATOM 1309 C ASP A 82 3.899 18.678 -3.099 1.00 0.00 C ATOM 1310 O ASP A 82 4.900 19.362 -3.322 1.00 0.00 O ATOM 1311 CB ASP A 82 2.028 20.449 -3.084 1.00 0.00 C ATOM 1312 CG ASP A 82 2.947 21.652 -3.365 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.213 21.944 -4.550 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.402 22.307 -2.409 1.00 0.00 O ATOM 0 H ASP A 82 0.862 18.313 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 82 2.680 19.220 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.037 20.665 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.920 20.335 -2.005 1.00 0.00 H new ATOM 1319 N LEU A 83 3.950 17.539 -2.374 1.00 0.00 N ATOM 1320 CA LEU A 83 5.227 16.939 -1.909 1.00 0.00 C ATOM 1321 C LEU A 83 6.076 16.452 -3.116 1.00 0.00 C ATOM 1322 O LEU A 83 5.494 16.036 -4.129 1.00 0.00 O ATOM 1323 CB LEU A 83 4.970 15.774 -0.889 1.00 0.00 C ATOM 1324 CG LEU A 83 4.850 16.192 0.617 1.00 0.00 C ATOM 1325 CD1 LEU A 83 3.661 17.141 0.871 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.773 14.942 1.520 1.00 0.00 C ATOM 0 H LEU A 83 3.121 17.013 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 83 5.792 17.711 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.052 15.261 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.781 15.052 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 83 5.751 16.750 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.622 17.400 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.786 18.048 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.733 16.646 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.690 15.251 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.900 14.349 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.674 14.343 1.390 1.00 0.00 H new ATOM 1453 N GLN A 92 13.123 7.572 3.513 1.00 0.00 N ATOM 1454 CA GLN A 92 11.711 7.353 3.899 1.00 0.00 C ATOM 1455 C GLN A 92 10.880 8.637 3.701 1.00 0.00 C ATOM 1456 O GLN A 92 11.399 9.662 3.230 1.00 0.00 O ATOM 1457 CB GLN A 92 11.625 6.827 5.355 1.00 0.00 C ATOM 1458 CG GLN A 92 12.395 5.509 5.587 1.00 0.00 C ATOM 1459 CD GLN A 92 12.172 4.890 6.971 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.921 5.589 7.945 1.00 0.00 O ATOM 1461 NE2 GLN A 92 12.275 3.575 7.066 1.00 0.00 N ATOM 0 HA GLN A 92 11.284 6.592 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.015 7.589 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.577 6.676 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.097 4.788 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.460 5.694 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.485 3.019 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.144 3.117 7.968 1.00 0.00 H new ATOM 1470 N ILE A 93 9.588 8.569 4.059 1.00 0.00 N ATOM 1471 CA ILE A 93 8.590 9.614 3.734 1.00 0.00 C ATOM 1472 C ILE A 93 7.772 10.017 4.976 1.00 0.00 C ATOM 1473 O ILE A 93 7.383 9.162 5.779 1.00 0.00 O ATOM 1474 CB ILE A 93 7.614 9.145 2.553 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.433 7.583 2.503 1.00 0.00 C ATOM 1476 CG2 ILE A 93 8.090 9.672 1.181 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.719 6.951 3.680 1.00 0.00 C ATOM 0 H ILE A 93 9.199 7.786 4.585 1.00 0.00 H new ATOM 0 HA ILE A 93 9.143 10.488 3.392 1.00 0.00 H new ATOM 0 HB ILE A 93 6.640 9.581 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.885 7.331 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.419 7.127 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.404 9.334 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.112 10.762 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.090 9.292 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.655 5.873 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.273 7.159 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.714 7.366 3.762 1.00 0.00 H new ATOM 1489 N VAL A 94 7.564 11.332 5.158 1.00 0.00 N ATOM 1490 CA VAL A 94 6.566 11.880 6.092 1.00 0.00 C ATOM 1491 C VAL A 94 5.641 12.817 5.301 1.00 0.00 C ATOM 1492 O VAL A 94 6.102 13.799 4.709 1.00 0.00 O ATOM 1493 CB VAL A 94 7.229 12.678 7.280 1.00 0.00 C ATOM 1494 CG1 VAL A 94 6.161 13.245 8.261 1.00 0.00 C ATOM 1495 CG2 VAL A 94 8.264 11.812 8.039 1.00 0.00 C ATOM 0 H VAL A 94 8.088 12.050 4.657 1.00 0.00 H new ATOM 0 HA VAL A 94 6.013 11.051 6.533 1.00 0.00 H new ATOM 0 HB VAL A 94 7.757 13.523 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.658 13.788 9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.496 13.921 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.581 12.424 8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.700 12.394 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.770 10.931 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.051 11.500 7.352 1.00 0.00 H new ATOM 1505 N TRP A 95 4.347 12.498 5.280 1.00 0.00 N ATOM 1506 CA TRP A 95 3.313 13.317 4.616 1.00 0.00 C ATOM 1507 C TRP A 95 2.241 13.735 5.629 1.00 0.00 C ATOM 1508 O TRP A 95 2.119 13.095 6.680 1.00 0.00 O ATOM 1509 CB TRP A 95 2.678 12.572 3.389 1.00 0.00 C ATOM 1510 CG TRP A 95 2.792 11.075 3.371 1.00 0.00 C ATOM 1511 CD1 TRP A 95 2.325 10.191 4.299 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.403 10.297 2.342 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.630 8.917 3.912 1.00 0.00 N ATOM 1514 CE2 TRP A 95 3.286 8.959 2.720 1.00 0.00 C ATOM 1515 CE3 TRP A 95 4.047 10.609 1.136 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.775 7.934 1.946 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.530 9.577 0.360 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.391 8.250 0.774 1.00 0.00 C ATOM 0 H TRP A 95 3.976 11.658 5.725 1.00 0.00 H new ATOM 0 HA TRP A 95 3.792 14.215 4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.621 12.832 3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.140 12.959 2.481 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.795 10.458 5.202 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.403 8.070 4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.162 11.636 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.673 6.905 2.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.020 9.796 -0.577 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.780 7.458 0.151 1.00 0.00 H new ATOM 1529 N PRO A 96 1.466 14.837 5.338 1.00 0.00 N ATOM 1530 CA PRO A 96 0.333 15.265 6.187 1.00 0.00 C ATOM 1531 C PRO A 96 -0.659 14.115 6.496 1.00 0.00 C ATOM 1532 O PRO A 96 -0.947 13.273 5.627 1.00 0.00 O ATOM 1533 CB PRO A 96 -0.351 16.375 5.341 1.00 0.00 C ATOM 1534 CG PRO A 96 0.746 16.941 4.494 1.00 0.00 C ATOM 1535 CD PRO A 96 1.657 15.774 4.178 1.00 0.00 C ATOM 0 HA PRO A 96 0.668 15.603 7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.154 15.966 4.727 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.794 17.141 5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.348 17.386 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.285 17.727 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.386 15.301 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.696 16.092 4.089 1.00 0.00 H new ATOM 1543 N GLN A 97 -1.147 14.083 7.738 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.230 13.183 8.158 1.00 0.00 C ATOM 1545 C GLN A 97 -3.572 13.900 7.942 1.00 0.00 C ATOM 1546 O GLN A 97 -3.647 15.125 8.089 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.047 12.764 9.646 1.00 0.00 C ATOM 1548 CG GLN A 97 -3.022 11.665 10.122 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.905 10.358 9.325 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -1.833 10.002 8.833 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.010 9.647 9.178 1.00 0.00 N ATOM 0 H GLN A 97 -0.802 14.683 8.487 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.209 12.271 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.025 12.413 9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.174 13.644 10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.837 11.457 11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.043 12.038 10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.883 9.968 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.990 8.777 8.645 1.00 0.00 H new ATOM 1560 N LEU A 98 -4.610 13.143 7.561 1.00 0.00 N ATOM 1561 CA LEU A 98 -5.950 13.699 7.255 1.00 0.00 C ATOM 1562 C LEU A 98 -6.650 14.243 8.536 1.00 0.00 C ATOM 1563 O LEU A 98 -6.374 13.745 9.633 1.00 0.00 O ATOM 1564 CB LEU A 98 -6.809 12.637 6.475 1.00 0.00 C ATOM 1565 CG LEU A 98 -6.638 11.127 6.839 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -7.037 10.824 8.288 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -7.420 10.237 5.851 1.00 0.00 C ATOM 0 H LEU A 98 -4.552 12.130 7.454 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.837 14.562 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.859 12.894 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.590 12.749 5.413 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.577 10.895 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.899 9.762 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.413 11.405 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.083 11.089 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.288 9.190 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.479 10.492 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.046 10.400 4.840 1.00 0.00 H new ATOM 1579 N PRO A 99 -7.567 15.269 8.413 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.114 16.032 9.583 1.00 0.00 C ATOM 1581 C PRO A 99 -8.961 15.203 10.586 1.00 0.00 C ATOM 1582 O PRO A 99 -9.289 15.698 11.670 1.00 0.00 O ATOM 1583 CB PRO A 99 -8.969 17.143 8.912 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.349 16.575 7.579 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.139 15.786 7.129 1.00 0.00 C ATOM 0 HA PRO A 99 -7.302 16.396 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.851 17.379 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.402 18.067 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.229 15.937 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.592 17.365 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.416 14.974 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.426 16.414 6.595 1.00 0.00 H new ATOM 1593 N VAL A 100 -9.327 13.967 10.217 1.00 0.00 N ATOM 1594 CA VAL A 100 -10.120 13.074 11.085 1.00 0.00 C ATOM 1595 C VAL A 100 -9.195 11.967 11.667 1.00 0.00 C ATOM 1596 O VAL A 100 -8.757 12.095 12.827 1.00 0.00 O ATOM 1597 CB VAL A 100 -11.349 12.464 10.300 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -12.191 11.518 11.191 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -12.233 13.589 9.703 1.00 0.00 C ATOM 1600 OXT VAL A 100 -8.877 10.997 10.946 1.00 0.00 O ATOM 0 H VAL A 100 -9.085 13.557 9.315 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.533 13.649 11.914 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.948 11.867 9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -13.025 11.121 10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.567 10.695 11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.574 12.071 12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -13.073 13.146 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.609 14.222 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.640 14.191 9.014 1.00 0.00 H new