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 -76:sc= 1.1 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.0367 X(o=1.1,f=0.64) USER MOD Set 2.1: A 55 CYS SG : rot 91:sc= -1.69 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 42 GLN : amide:sc= 0 K(o=0,f=-4.2) USER MOD Single : A 1 MET CE :methyl 155:sc= -1.79! (180deg=-2.88!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.000175 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.115 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0054 X(o=-0.0054,f=-0.0054) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= 0.883 (180deg=0.275) USER MOD Single : A 39 THR OG1 : rot 78:sc= 1.73 USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.527 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 69 GLN : amide:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0.211 (180deg=0.198) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.437 -4.887 7.630 1.00 0.00 N ATOM 2 CA MET A 1 7.766 -4.778 6.186 1.00 0.00 C ATOM 3 C MET A 1 8.141 -6.157 5.622 1.00 0.00 C ATOM 4 O MET A 1 9.026 -6.833 6.153 1.00 0.00 O ATOM 5 CB MET A 1 8.900 -3.731 5.955 1.00 0.00 C ATOM 6 CG MET A 1 9.452 -3.656 4.513 1.00 0.00 C ATOM 7 SD MET A 1 10.622 -4.983 4.141 1.00 0.00 S ATOM 8 CE MET A 1 11.048 -4.616 2.444 1.00 0.00 C ATOM 0 H1 MET A 1 7.185 -3.948 8.000 1.00 0.00 H new ATOM 0 H2 MET A 1 6.634 -5.536 7.755 1.00 0.00 H new ATOM 0 H3 MET A 1 8.262 -5.253 8.147 1.00 0.00 H new ATOM 0 HA MET A 1 6.886 -4.425 5.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.524 -2.746 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.725 -3.960 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.622 -3.702 3.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.942 -2.694 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.032 -5.027 2.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.308 -5.061 1.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.064 -3.536 2.298 1.00 0.00 H new ATOM 18 N LEU A 2 7.431 -6.569 4.562 1.00 0.00 N ATOM 19 CA LEU A 2 7.743 -7.775 3.786 1.00 0.00 C ATOM 20 C LEU A 2 8.096 -7.359 2.362 1.00 0.00 C ATOM 21 O LEU A 2 7.667 -6.295 1.905 1.00 0.00 O ATOM 22 CB LEU A 2 6.564 -8.805 3.837 1.00 0.00 C ATOM 23 CG LEU A 2 5.121 -8.347 3.396 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.940 -8.268 1.861 1.00 0.00 C ATOM 25 CD2 LEU A 2 4.043 -9.268 4.011 1.00 0.00 C ATOM 0 H LEU A 2 6.614 -6.067 4.216 1.00 0.00 H new ATOM 0 HA LEU A 2 8.601 -8.286 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.843 -9.654 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.493 -9.171 4.861 1.00 0.00 H new ATOM 0 HG LEU A 2 4.999 -7.333 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.924 -7.947 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.650 -7.552 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.118 -9.250 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.055 -8.934 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.205 -10.292 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.108 -9.228 5.098 1.00 0.00 H new ATOM 37 N LEU A 3 8.903 -8.178 1.684 1.00 0.00 N ATOM 38 CA LEU A 3 9.301 -7.972 0.283 1.00 0.00 C ATOM 39 C LEU A 3 8.095 -8.149 -0.659 1.00 0.00 C ATOM 40 O LEU A 3 7.241 -9.008 -0.425 1.00 0.00 O ATOM 41 CB LEU A 3 10.410 -9.001 -0.058 1.00 0.00 C ATOM 42 CG LEU A 3 11.589 -9.063 0.982 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.407 -10.353 0.844 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.489 -7.817 0.868 1.00 0.00 C ATOM 0 H LEU A 3 9.307 -9.018 2.097 1.00 0.00 H new ATOM 0 HA LEU A 3 9.675 -6.957 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.958 -9.990 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.821 -8.761 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 3 11.145 -9.071 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.210 -10.355 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.760 -11.214 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.833 -10.408 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.296 -7.883 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.910 -7.763 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.898 -6.922 1.062 1.00 0.00 H new ATOM 56 N HIS A 4 8.069 -7.361 -1.738 1.00 0.00 N ATOM 57 CA HIS A 4 6.995 -7.392 -2.748 1.00 0.00 C ATOM 58 C HIS A 4 7.299 -8.511 -3.759 1.00 0.00 C ATOM 59 O HIS A 4 6.404 -9.239 -4.193 1.00 0.00 O ATOM 60 CB HIS A 4 6.918 -6.008 -3.452 1.00 0.00 C ATOM 61 CG HIS A 4 6.001 -5.939 -4.653 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.648 -5.692 -4.565 1.00 0.00 N ATOM 63 CD2 HIS A 4 6.262 -6.079 -5.978 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.120 -5.685 -5.772 1.00 0.00 C ATOM 65 NE2 HIS A 4 5.078 -5.916 -6.647 1.00 0.00 N ATOM 0 H HIS A 4 8.797 -6.676 -1.941 1.00 0.00 H new ATOM 0 HA HIS A 4 6.031 -7.594 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.590 -5.267 -2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.922 -5.723 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.225 -6.281 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 4 3.079 -5.518 -6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.957 -5.965 -7.659 1.00 0.00 H new ATOM 74 N SER A 5 8.591 -8.616 -4.109 1.00 0.00 N ATOM 75 CA SER A 5 9.105 -9.573 -5.080 1.00 0.00 C ATOM 76 C SER A 5 10.609 -9.779 -4.818 1.00 0.00 C ATOM 77 O SER A 5 11.420 -8.895 -5.130 1.00 0.00 O ATOM 78 CB SER A 5 8.853 -9.039 -6.517 1.00 0.00 C ATOM 79 OG SER A 5 9.409 -9.884 -7.500 1.00 0.00 O ATOM 0 H SER A 5 9.317 -8.021 -3.711 1.00 0.00 H new ATOM 0 HA SER A 5 8.595 -10.531 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.780 -8.944 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.281 -8.041 -6.613 1.00 0.00 H new ATOM 0 HG SER A 5 9.228 -9.515 -8.389 1.00 0.00 H new ATOM 85 N VAL A 6 10.965 -10.918 -4.193 1.00 0.00 N ATOM 86 CA VAL A 6 12.366 -11.259 -3.878 1.00 0.00 C ATOM 87 C VAL A 6 12.939 -12.228 -4.915 1.00 0.00 C ATOM 88 O VAL A 6 12.250 -13.143 -5.374 1.00 0.00 O ATOM 89 CB VAL A 6 12.520 -11.875 -2.432 1.00 0.00 C ATOM 90 CG1 VAL A 6 11.710 -13.186 -2.258 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.011 -12.077 -2.043 1.00 0.00 C ATOM 0 H VAL A 6 10.293 -11.625 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 6 12.928 -10.326 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 6 12.096 -11.145 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.850 -13.569 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.652 -12.985 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.058 -13.927 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.071 -12.503 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.484 -12.754 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.525 -11.116 -2.060 1.00 0.00 H new ATOM 101 N GLU A 7 14.199 -11.991 -5.281 1.00 0.00 N ATOM 102 CA GLU A 7 14.972 -12.890 -6.132 1.00 0.00 C ATOM 103 C GLU A 7 15.525 -14.028 -5.253 1.00 0.00 C ATOM 104 O GLU A 7 16.236 -13.783 -4.270 1.00 0.00 O ATOM 105 CB GLU A 7 16.085 -12.072 -6.857 1.00 0.00 C ATOM 106 CG GLU A 7 16.930 -12.834 -7.912 1.00 0.00 C ATOM 107 CD GLU A 7 18.126 -13.605 -7.324 1.00 0.00 C ATOM 108 OE1 GLU A 7 19.157 -12.969 -7.012 1.00 0.00 O ATOM 109 OE2 GLU A 7 18.052 -14.838 -7.174 1.00 0.00 O ATOM 0 H GLU A 7 14.715 -11.160 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 7 14.359 -13.344 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.616 -11.219 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.762 -11.673 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.284 -13.535 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.299 -12.121 -8.650 1.00 0.00 H new ATOM 116 N THR A 8 15.155 -15.265 -5.597 1.00 0.00 N ATOM 117 CA THR A 8 15.531 -16.479 -4.847 1.00 0.00 C ATOM 118 C THR A 8 16.327 -17.447 -5.762 1.00 0.00 C ATOM 119 O THR A 8 16.236 -17.335 -6.991 1.00 0.00 O ATOM 120 CB THR A 8 14.249 -17.195 -4.286 1.00 0.00 C ATOM 121 OG1 THR A 8 13.387 -17.575 -5.363 1.00 0.00 O ATOM 122 CG2 THR A 8 13.459 -16.305 -3.311 1.00 0.00 C ATOM 0 H THR A 8 14.578 -15.460 -6.415 1.00 0.00 H new ATOM 0 HA THR A 8 16.162 -16.188 -4.007 1.00 0.00 H new ATOM 0 HB THR A 8 14.593 -18.074 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.592 -18.022 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.583 -16.846 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.093 -16.040 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.140 -15.398 -3.824 1.00 0.00 H new ATOM 130 N PRO A 9 17.132 -18.417 -5.193 1.00 0.00 N ATOM 131 CA PRO A 9 17.828 -19.466 -5.998 1.00 0.00 C ATOM 132 C PRO A 9 16.855 -20.402 -6.747 1.00 0.00 C ATOM 133 O PRO A 9 17.241 -21.094 -7.696 1.00 0.00 O ATOM 134 CB PRO A 9 18.667 -20.248 -4.943 1.00 0.00 C ATOM 135 CG PRO A 9 18.784 -19.306 -3.784 1.00 0.00 C ATOM 136 CD PRO A 9 17.480 -18.541 -3.752 1.00 0.00 C ATOM 0 HA PRO A 9 18.433 -19.026 -6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.174 -21.176 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.647 -20.518 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.944 -19.848 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.631 -18.632 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 9 16.711 -19.077 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.595 -17.566 -3.279 1.00 0.00 H new ATOM 144 N ARG A 10 15.597 -20.405 -6.292 1.00 0.00 N ATOM 145 CA ARG A 10 14.522 -21.245 -6.851 1.00 0.00 C ATOM 146 C ARG A 10 13.606 -20.446 -7.801 1.00 0.00 C ATOM 147 O ARG A 10 12.639 -21.003 -8.340 1.00 0.00 O ATOM 148 CB ARG A 10 13.725 -21.880 -5.681 1.00 0.00 C ATOM 149 CG ARG A 10 13.122 -20.872 -4.674 1.00 0.00 C ATOM 150 CD ARG A 10 12.582 -21.553 -3.409 1.00 0.00 C ATOM 151 NE ARG A 10 13.639 -22.301 -2.694 1.00 0.00 N ATOM 152 CZ ARG A 10 13.467 -23.025 -1.577 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.272 -23.156 -1.023 1.00 0.00 N ATOM 154 NH2 ARG A 10 14.513 -23.614 -1.023 1.00 0.00 N ATOM 0 H ARG A 10 15.289 -19.819 -5.516 1.00 0.00 H new ATOM 0 HA ARG A 10 14.964 -22.037 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.917 -22.482 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.383 -22.560 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.884 -20.144 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.316 -20.320 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.156 -20.801 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.774 -22.233 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 10 14.581 -22.263 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.462 -22.703 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.161 -23.710 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.437 -23.515 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.396 -24.167 -0.174 1.00 0.00 H new ATOM 168 N GLY A 11 13.915 -19.152 -8.013 1.00 0.00 N ATOM 169 CA GLY A 11 13.142 -18.296 -8.919 1.00 0.00 C ATOM 170 C GLY A 11 12.914 -16.908 -8.348 1.00 0.00 C ATOM 171 O GLY A 11 13.869 -16.207 -8.026 1.00 0.00 O ATOM 0 H GLY A 11 14.700 -18.679 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.666 -18.213 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.179 -18.764 -9.124 1.00 0.00 H new ATOM 175 N GLU A 12 11.649 -16.500 -8.238 1.00 0.00 N ATOM 176 CA GLU A 12 11.246 -15.205 -7.675 1.00 0.00 C ATOM 177 C GLU A 12 9.939 -15.403 -6.905 1.00 0.00 C ATOM 178 O GLU A 12 9.001 -15.975 -7.466 1.00 0.00 O ATOM 179 CB GLU A 12 11.066 -14.194 -8.834 1.00 0.00 C ATOM 180 CG GLU A 12 10.654 -12.775 -8.424 1.00 0.00 C ATOM 181 CD GLU A 12 10.472 -11.850 -9.639 1.00 0.00 C ATOM 182 OE1 GLU A 12 11.465 -11.255 -10.108 1.00 0.00 O ATOM 183 OE2 GLU A 12 9.342 -11.748 -10.155 1.00 0.00 O ATOM 0 H GLU A 12 10.859 -17.069 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 12 12.002 -14.816 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.003 -14.134 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.315 -14.586 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.723 -12.818 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.411 -12.356 -7.760 1.00 0.00 H new ATOM 190 N ILE A 13 9.839 -14.942 -5.639 1.00 0.00 N ATOM 191 CA ILE A 13 8.663 -15.190 -4.783 1.00 0.00 C ATOM 192 C ILE A 13 8.001 -13.838 -4.449 1.00 0.00 C ATOM 193 O ILE A 13 8.697 -12.886 -4.067 1.00 0.00 O ATOM 194 CB ILE A 13 9.083 -15.916 -3.444 1.00 0.00 C ATOM 195 CG1 ILE A 13 9.917 -17.211 -3.722 1.00 0.00 C ATOM 196 CG2 ILE A 13 7.852 -16.229 -2.557 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.205 -18.296 -4.497 1.00 0.00 C ATOM 0 H ILE A 13 10.568 -14.391 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 13 7.965 -15.835 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 13 9.723 -15.225 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.817 -16.931 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.240 -17.625 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.178 -16.728 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.343 -15.300 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.167 -16.879 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.874 -19.145 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.320 -18.615 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.906 -17.911 -5.472 1.00 0.00 H new ATOM 209 N LEU A 14 6.670 -13.771 -4.575 1.00 0.00 N ATOM 210 CA LEU A 14 5.893 -12.536 -4.378 1.00 0.00 C ATOM 211 C LEU A 14 5.286 -12.499 -2.960 1.00 0.00 C ATOM 212 O LEU A 14 4.674 -13.487 -2.532 1.00 0.00 O ATOM 213 CB LEU A 14 4.773 -12.448 -5.449 1.00 0.00 C ATOM 214 CG LEU A 14 5.241 -12.592 -6.938 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.051 -12.476 -7.910 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.354 -11.573 -7.285 1.00 0.00 C ATOM 0 H LEU A 14 6.095 -14.578 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 14 6.557 -11.679 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.037 -13.225 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.265 -11.490 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 14 5.666 -13.589 -7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.407 -12.580 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.328 -13.263 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.575 -11.503 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.654 -11.702 -8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.979 -10.560 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.214 -11.739 -6.636 1.00 0.00 H new ATOM 228 N ASN A 15 5.482 -11.351 -2.264 1.00 0.00 N ATOM 229 CA ASN A 15 4.901 -11.042 -0.935 1.00 0.00 C ATOM 230 C ASN A 15 5.339 -12.055 0.130 1.00 0.00 C ATOM 231 O ASN A 15 4.661 -13.061 0.385 1.00 0.00 O ATOM 232 CB ASN A 15 3.360 -10.882 -1.004 1.00 0.00 C ATOM 233 CG ASN A 15 2.948 -9.664 -1.847 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.772 -8.562 -1.324 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.816 -9.849 -3.153 1.00 0.00 N ATOM 0 H ASN A 15 6.065 -10.595 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 15 5.300 -10.076 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.920 -11.784 -1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.960 -10.778 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.562 -9.066 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.969 -10.774 -3.555 1.00 0.00 H new ATOM 242 N VAL A 16 6.505 -11.771 0.726 1.00 0.00 N ATOM 243 CA VAL A 16 7.168 -12.651 1.696 1.00 0.00 C ATOM 244 C VAL A 16 8.150 -11.822 2.552 1.00 0.00 C ATOM 245 O VAL A 16 8.838 -10.948 2.026 1.00 0.00 O ATOM 246 CB VAL A 16 7.925 -13.838 0.973 1.00 0.00 C ATOM 247 CG1 VAL A 16 8.840 -13.331 -0.157 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.737 -14.685 1.973 1.00 0.00 C ATOM 0 H VAL A 16 7.021 -10.910 0.545 1.00 0.00 H new ATOM 0 HA VAL A 16 6.409 -13.094 2.341 1.00 0.00 H new ATOM 0 HB VAL A 16 7.157 -14.471 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.341 -14.177 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.242 -12.804 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.586 -12.652 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.243 -15.490 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.477 -14.055 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.066 -15.109 2.720 1.00 0.00 H new ATOM 258 N SER A 17 8.195 -12.089 3.873 1.00 0.00 N ATOM 259 CA SER A 17 9.115 -11.399 4.800 1.00 0.00 C ATOM 260 C SER A 17 10.577 -11.767 4.508 1.00 0.00 C ATOM 261 O SER A 17 10.857 -12.807 3.906 1.00 0.00 O ATOM 262 CB SER A 17 8.760 -11.756 6.257 1.00 0.00 C ATOM 263 OG SER A 17 8.867 -13.147 6.488 1.00 0.00 O ATOM 0 H SER A 17 7.600 -12.783 4.325 1.00 0.00 H new ATOM 0 HA SER A 17 9.002 -10.325 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.423 -11.221 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.745 -11.426 6.477 1.00 0.00 H new ATOM 0 HG SER A 17 8.638 -13.342 7.421 1.00 0.00 H new ATOM 269 N GLU A 18 11.499 -10.911 4.955 1.00 0.00 N ATOM 270 CA GLU A 18 12.945 -11.156 4.833 1.00 0.00 C ATOM 271 C GLU A 18 13.370 -12.387 5.666 1.00 0.00 C ATOM 272 O GLU A 18 14.364 -13.046 5.354 1.00 0.00 O ATOM 273 CB GLU A 18 13.714 -9.891 5.267 1.00 0.00 C ATOM 274 CG GLU A 18 13.370 -8.648 4.418 1.00 0.00 C ATOM 275 CD GLU A 18 14.151 -7.392 4.814 1.00 0.00 C ATOM 276 OE1 GLU A 18 15.393 -7.376 4.653 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.543 -6.424 5.304 1.00 0.00 O ATOM 0 H GLU A 18 11.268 -10.029 5.412 1.00 0.00 H new ATOM 0 HA GLU A 18 13.186 -11.375 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.493 -9.681 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.785 -10.084 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.566 -8.871 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.303 -8.444 4.506 1.00 0.00 H new ATOM 284 N GLN A 19 12.585 -12.683 6.723 1.00 0.00 N ATOM 285 CA GLN A 19 12.748 -13.889 7.551 1.00 0.00 C ATOM 286 C GLN A 19 12.496 -15.159 6.715 1.00 0.00 C ATOM 287 O GLN A 19 13.388 -15.999 6.572 1.00 0.00 O ATOM 288 CB GLN A 19 11.764 -13.839 8.752 1.00 0.00 C ATOM 289 CG GLN A 19 11.771 -15.103 9.648 1.00 0.00 C ATOM 290 CD GLN A 19 10.787 -15.049 10.826 1.00 0.00 C ATOM 291 OE1 GLN A 19 10.493 -13.982 11.368 1.00 0.00 O ATOM 292 NE2 GLN A 19 10.276 -16.207 11.230 1.00 0.00 N ATOM 0 H GLN A 19 11.816 -12.085 7.025 1.00 0.00 H new ATOM 0 HA GLN A 19 13.771 -13.920 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.007 -12.973 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.754 -13.686 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.535 -15.971 9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.778 -15.252 10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.540 -17.073 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.620 -16.230 12.010 1.00 0.00 H new ATOM 301 N GLU A 20 11.278 -15.257 6.146 1.00 0.00 N ATOM 302 CA GLU A 20 10.821 -16.446 5.401 1.00 0.00 C ATOM 303 C GLU A 20 11.618 -16.622 4.090 1.00 0.00 C ATOM 304 O GLU A 20 11.919 -17.748 3.682 1.00 0.00 O ATOM 305 CB GLU A 20 9.294 -16.343 5.132 1.00 0.00 C ATOM 306 CG GLU A 20 8.691 -17.543 4.370 1.00 0.00 C ATOM 307 CD GLU A 20 7.158 -17.480 4.236 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.454 -17.837 5.203 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.645 -17.062 3.178 1.00 0.00 O ATOM 0 H GLU A 20 10.583 -14.512 6.191 1.00 0.00 H new ATOM 0 HA GLU A 20 11.005 -17.334 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.777 -16.239 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.100 -15.434 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.133 -17.590 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.965 -18.464 4.884 1.00 0.00 H new ATOM 316 N ALA A 21 11.924 -15.490 3.432 1.00 0.00 N ATOM 317 CA ALA A 21 12.829 -15.449 2.267 1.00 0.00 C ATOM 318 C ALA A 21 14.166 -16.187 2.544 1.00 0.00 C ATOM 319 O ALA A 21 14.527 -17.097 1.799 1.00 0.00 O ATOM 320 CB ALA A 21 13.075 -13.997 1.834 1.00 0.00 C ATOM 0 H ALA A 21 11.551 -14.577 3.692 1.00 0.00 H new ATOM 0 HA ALA A 21 12.341 -15.978 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.744 -13.982 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.127 -13.532 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.529 -13.444 2.656 1.00 0.00 H new ATOM 326 N ARG A 22 14.855 -15.826 3.654 1.00 0.00 N ATOM 327 CA ARG A 22 16.129 -16.481 4.056 1.00 0.00 C ATOM 328 C ARG A 22 15.900 -17.952 4.458 1.00 0.00 C ATOM 329 O ARG A 22 16.643 -18.842 4.038 1.00 0.00 O ATOM 330 CB ARG A 22 16.805 -15.736 5.251 1.00 0.00 C ATOM 331 CG ARG A 22 17.342 -14.332 4.921 1.00 0.00 C ATOM 332 CD ARG A 22 18.010 -13.642 6.122 1.00 0.00 C ATOM 333 NE ARG A 22 19.192 -14.385 6.607 1.00 0.00 N ATOM 334 CZ ARG A 22 19.771 -14.240 7.811 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.315 -13.358 8.699 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.824 -14.986 8.116 1.00 0.00 N ATOM 0 H ARG A 22 14.552 -15.086 4.288 1.00 0.00 H new ATOM 0 HA ARG A 22 16.786 -16.439 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.082 -15.651 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.629 -16.346 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.062 -14.408 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.521 -13.711 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.309 -12.633 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.287 -13.545 6.932 1.00 0.00 H new ATOM 0 HE ARG A 22 19.605 -15.068 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.510 -12.775 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.771 -13.266 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.185 -15.660 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.273 -14.886 9.026 1.00 0.00 H new ATOM 350 N ASP A 23 14.849 -18.186 5.264 1.00 0.00 N ATOM 351 CA ASP A 23 14.628 -19.462 5.976 1.00 0.00 C ATOM 352 C ASP A 23 14.084 -20.552 5.032 1.00 0.00 C ATOM 353 O ASP A 23 14.736 -21.577 4.794 1.00 0.00 O ATOM 354 CB ASP A 23 13.647 -19.208 7.160 1.00 0.00 C ATOM 355 CG ASP A 23 13.257 -20.485 7.926 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.059 -20.961 8.758 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.147 -21.012 7.706 1.00 0.00 O ATOM 0 H ASP A 23 14.123 -17.492 5.442 1.00 0.00 H new ATOM 0 HA ASP A 23 15.581 -19.827 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.105 -18.504 7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.743 -18.735 6.776 1.00 0.00 H new ATOM 362 N VAL A 24 12.892 -20.292 4.488 1.00 0.00 N ATOM 363 CA VAL A 24 12.156 -21.225 3.624 1.00 0.00 C ATOM 364 C VAL A 24 12.741 -21.246 2.199 1.00 0.00 C ATOM 365 O VAL A 24 13.102 -22.311 1.681 1.00 0.00 O ATOM 366 CB VAL A 24 10.623 -20.833 3.599 1.00 0.00 C ATOM 367 CG1 VAL A 24 9.820 -21.666 2.572 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.001 -20.961 5.015 1.00 0.00 C ATOM 0 H VAL A 24 12.400 -19.411 4.637 1.00 0.00 H new ATOM 0 HA VAL A 24 12.258 -22.231 4.032 1.00 0.00 H new ATOM 0 HB VAL A 24 10.564 -19.792 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.774 -21.360 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.226 -21.502 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.893 -22.724 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.947 -20.687 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.096 -21.990 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.523 -20.296 5.703 1.00 0.00 H new ATOM 378 N PHE A 25 12.865 -20.056 1.602 1.00 0.00 N ATOM 379 CA PHE A 25 13.203 -19.905 0.170 1.00 0.00 C ATOM 380 C PHE A 25 14.719 -19.872 -0.085 1.00 0.00 C ATOM 381 O PHE A 25 15.151 -19.912 -1.246 1.00 0.00 O ATOM 382 CB PHE A 25 12.489 -18.654 -0.399 1.00 0.00 C ATOM 383 CG PHE A 25 10.968 -18.739 -0.250 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.240 -19.695 -0.960 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.268 -17.893 0.604 1.00 0.00 C ATOM 386 CE1 PHE A 25 8.869 -19.795 -0.819 1.00 0.00 C ATOM 387 CE2 PHE A 25 8.897 -17.999 0.738 1.00 0.00 C ATOM 388 CZ PHE A 25 8.200 -18.947 0.028 1.00 0.00 C ATOM 0 H PHE A 25 12.736 -19.169 2.090 1.00 0.00 H new ATOM 0 HA PHE A 25 12.843 -20.788 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.854 -17.764 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.743 -18.540 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.756 -20.367 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.803 -17.144 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.323 -20.542 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.370 -17.333 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.128 -19.025 0.136 1.00 0.00 H new ATOM 398 N GLY A 26 15.510 -19.811 1.008 1.00 0.00 N ATOM 399 CA GLY A 26 16.977 -19.862 0.929 1.00 0.00 C ATOM 400 C GLY A 26 17.593 -18.696 0.157 1.00 0.00 C ATOM 401 O GLY A 26 18.723 -18.796 -0.335 1.00 0.00 O ATOM 0 H GLY A 26 15.150 -19.726 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.386 -19.873 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.274 -20.797 0.454 1.00 0.00 H new ATOM 405 N ALA A 27 16.843 -17.583 0.086 1.00 0.00 N ATOM 406 CA ALA A 27 17.202 -16.392 -0.694 1.00 0.00 C ATOM 407 C ALA A 27 18.443 -15.698 -0.123 1.00 0.00 C ATOM 408 O ALA A 27 18.640 -15.658 1.099 1.00 0.00 O ATOM 409 CB ALA A 27 16.016 -15.423 -0.753 1.00 0.00 C ATOM 0 H ALA A 27 15.955 -17.487 0.579 1.00 0.00 H new ATOM 0 HA ALA A 27 17.446 -16.713 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.293 -14.543 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.166 -15.916 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.744 -15.119 0.258 1.00 0.00 H new ATOM 415 N SER A 28 19.257 -15.155 -1.032 1.00 0.00 N ATOM 416 CA SER A 28 20.510 -14.475 -0.697 1.00 0.00 C ATOM 417 C SER A 28 20.226 -13.123 -0.014 1.00 0.00 C ATOM 418 O SER A 28 19.282 -12.428 -0.383 1.00 0.00 O ATOM 419 CB SER A 28 21.350 -14.258 -1.976 1.00 0.00 C ATOM 420 OG SER A 28 21.597 -15.482 -2.648 1.00 0.00 O ATOM 0 H SER A 28 19.062 -15.176 -2.033 1.00 0.00 H new ATOM 0 HA SER A 28 21.071 -15.101 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 28 20.827 -13.574 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.298 -13.787 -1.715 1.00 0.00 H new ATOM 0 HG SER A 28 22.129 -15.312 -3.453 1.00 0.00 H new ATOM 426 N GLU A 29 21.111 -12.744 0.914 1.00 0.00 N ATOM 427 CA GLU A 29 20.954 -11.522 1.729 1.00 0.00 C ATOM 428 C GLU A 29 21.100 -10.273 0.828 1.00 0.00 C ATOM 429 O GLU A 29 20.409 -9.271 1.019 1.00 0.00 O ATOM 430 CB GLU A 29 21.977 -11.509 2.893 1.00 0.00 C ATOM 431 CG GLU A 29 21.835 -12.697 3.871 1.00 0.00 C ATOM 432 CD GLU A 29 22.808 -12.620 5.064 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.034 -12.625 4.836 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.361 -12.550 6.231 1.00 0.00 O ATOM 0 H GLU A 29 21.958 -13.272 1.126 1.00 0.00 H new ATOM 0 HA GLU A 29 19.958 -11.509 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.985 -11.513 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.866 -10.579 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.812 -12.730 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.007 -13.627 3.330 1.00 0.00 H new ATOM 441 N GLN A 30 21.950 -10.407 -0.209 1.00 0.00 N ATOM 442 CA GLN A 30 22.185 -9.357 -1.221 1.00 0.00 C ATOM 443 C GLN A 30 20.954 -9.207 -2.135 1.00 0.00 C ATOM 444 O GLN A 30 20.591 -8.093 -2.540 1.00 0.00 O ATOM 445 CB GLN A 30 23.441 -9.708 -2.061 1.00 0.00 C ATOM 446 CG GLN A 30 24.749 -9.834 -1.250 1.00 0.00 C ATOM 447 CD GLN A 30 25.161 -8.529 -0.561 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.771 -8.256 0.576 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.943 -7.713 -1.254 1.00 0.00 N ATOM 0 H GLN A 30 22.497 -11.253 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 30 22.353 -8.408 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.261 -10.648 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.576 -8.942 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.628 -10.612 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.551 -10.155 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.246 -7.972 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.241 -6.826 -0.848 1.00 0.00 H new ATOM 458 N ALA A 31 20.301 -10.350 -2.431 1.00 0.00 N ATOM 459 CA ALA A 31 19.101 -10.404 -3.282 1.00 0.00 C ATOM 460 C ALA A 31 17.875 -9.897 -2.520 1.00 0.00 C ATOM 461 O ALA A 31 16.948 -9.351 -3.121 1.00 0.00 O ATOM 462 CB ALA A 31 18.864 -11.833 -3.787 1.00 0.00 C ATOM 0 H ALA A 31 20.595 -11.263 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 31 19.263 -9.755 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.973 -11.854 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.725 -12.161 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.725 -12.501 -2.937 1.00 0.00 H new ATOM 468 N ILE A 32 17.899 -10.051 -1.182 1.00 0.00 N ATOM 469 CA ILE A 32 16.826 -9.592 -0.284 1.00 0.00 C ATOM 470 C ILE A 32 17.044 -8.098 0.022 1.00 0.00 C ATOM 471 O ILE A 32 16.111 -7.390 0.363 1.00 0.00 O ATOM 472 CB ILE A 32 16.808 -10.440 1.041 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.411 -11.909 0.733 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.885 -9.847 2.136 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.543 -12.855 1.905 1.00 0.00 C ATOM 0 H ILE A 32 18.671 -10.502 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 32 15.859 -9.726 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 32 17.820 -10.410 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.379 -11.927 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.032 -12.276 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.919 -10.480 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.224 -8.844 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.862 -9.800 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.245 -13.858 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 32 17.579 -12.872 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.901 -12.518 2.719 1.00 0.00 H new ATOM 487 N ALA A 33 18.312 -7.648 -0.118 1.00 0.00 N ATOM 488 CA ALA A 33 18.715 -6.257 0.184 1.00 0.00 C ATOM 489 C ALA A 33 18.262 -5.352 -0.975 1.00 0.00 C ATOM 490 O ALA A 33 17.744 -4.257 -0.762 1.00 0.00 O ATOM 491 CB ALA A 33 20.241 -6.147 0.403 1.00 0.00 C ATOM 0 H ALA A 33 19.080 -8.236 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 33 18.237 -5.938 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.503 -5.112 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.535 -6.781 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.762 -6.470 -0.498 1.00 0.00 H new ATOM 497 N ASP A 34 18.494 -5.843 -2.206 1.00 0.00 N ATOM 498 CA ASP A 34 17.998 -5.225 -3.449 1.00 0.00 C ATOM 499 C ASP A 34 16.448 -5.239 -3.477 1.00 0.00 C ATOM 500 O ASP A 34 15.820 -4.244 -3.853 1.00 0.00 O ATOM 501 CB ASP A 34 18.569 -5.984 -4.675 1.00 0.00 C ATOM 502 CG ASP A 34 18.357 -5.234 -6.007 1.00 0.00 C ATOM 503 OD1 ASP A 34 19.235 -4.431 -6.395 1.00 0.00 O ATOM 504 OD2 ASP A 34 17.320 -5.442 -6.671 1.00 0.00 O ATOM 0 H ASP A 34 19.038 -6.691 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 34 18.332 -4.188 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.636 -6.152 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.098 -6.965 -4.739 1.00 0.00 H new ATOM 509 N ALA A 35 15.855 -6.378 -3.058 1.00 0.00 N ATOM 510 CA ALA A 35 14.385 -6.535 -2.954 1.00 0.00 C ATOM 511 C ALA A 35 13.794 -5.601 -1.880 1.00 0.00 C ATOM 512 O ALA A 35 12.711 -5.057 -2.053 1.00 0.00 O ATOM 513 CB ALA A 35 14.026 -7.991 -2.643 1.00 0.00 C ATOM 0 H ALA A 35 16.377 -7.210 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 35 13.952 -6.258 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.943 -8.091 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.397 -8.635 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.482 -8.284 -1.698 1.00 0.00 H new ATOM 519 N ARG A 36 14.552 -5.424 -0.785 1.00 0.00 N ATOM 520 CA ARG A 36 14.174 -4.552 0.348 1.00 0.00 C ATOM 521 C ARG A 36 14.122 -3.106 -0.127 1.00 0.00 C ATOM 522 O ARG A 36 13.145 -2.402 0.101 1.00 0.00 O ATOM 523 CB ARG A 36 15.178 -4.703 1.518 1.00 0.00 C ATOM 524 CG ARG A 36 14.864 -3.858 2.774 1.00 0.00 C ATOM 525 CD ARG A 36 15.898 -4.084 3.891 1.00 0.00 C ATOM 526 NE ARG A 36 15.600 -3.311 5.120 1.00 0.00 N ATOM 527 CZ ARG A 36 15.657 -3.785 6.377 1.00 0.00 C ATOM 528 NH1 ARG A 36 15.829 -5.085 6.611 1.00 0.00 N ATOM 529 NH2 ARG A 36 15.504 -2.955 7.393 1.00 0.00 N ATOM 0 H ARG A 36 15.453 -5.885 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 36 13.191 -4.849 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.217 -5.753 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.171 -4.434 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.845 -2.802 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.870 -4.111 3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.934 -5.146 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.887 -3.807 3.525 1.00 0.00 H new ATOM 0 HE ARG A 36 15.328 -2.335 5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.920 -5.736 5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.870 -5.429 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.344 -1.962 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.546 -3.307 8.350 1.00 0.00 H new ATOM 543 N LYS A 37 15.192 -2.713 -0.835 1.00 0.00 N ATOM 544 CA LYS A 37 15.317 -1.405 -1.490 1.00 0.00 C ATOM 545 C LYS A 37 14.158 -1.162 -2.465 1.00 0.00 C ATOM 546 O LYS A 37 13.608 -0.067 -2.506 1.00 0.00 O ATOM 547 CB LYS A 37 16.662 -1.341 -2.251 1.00 0.00 C ATOM 548 CG LYS A 37 16.859 -0.087 -3.144 1.00 0.00 C ATOM 549 CD LYS A 37 18.048 -0.228 -4.117 1.00 0.00 C ATOM 550 CE LYS A 37 17.881 -1.419 -5.088 1.00 0.00 C ATOM 551 NZ LYS A 37 19.022 -1.552 -6.015 1.00 0.00 N ATOM 0 H LYS A 37 16.009 -3.308 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 37 15.285 -0.629 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.474 -1.381 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.750 -2.230 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.948 0.094 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.016 0.785 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.154 0.692 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.968 -0.355 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.773 -2.340 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.963 -1.291 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.190 -2.558 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.809 -1.052 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.872 -1.139 -5.581 1.00 0.00 H new ATOM 565 N ALA A 38 13.748 -2.227 -3.176 1.00 0.00 N ATOM 566 CA ALA A 38 12.784 -2.118 -4.275 1.00 0.00 C ATOM 567 C ALA A 38 11.361 -2.034 -3.707 1.00 0.00 C ATOM 568 O ALA A 38 10.509 -1.328 -4.258 1.00 0.00 O ATOM 569 CB ALA A 38 12.918 -3.315 -5.224 1.00 0.00 C ATOM 0 H ALA A 38 14.075 -3.178 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 38 12.991 -1.211 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.196 -3.219 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.926 -3.340 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.728 -4.237 -4.675 1.00 0.00 H new ATOM 575 N THR A 39 11.124 -2.748 -2.581 1.00 0.00 N ATOM 576 CA THR A 39 9.813 -2.792 -1.924 1.00 0.00 C ATOM 577 C THR A 39 9.547 -1.470 -1.209 1.00 0.00 C ATOM 578 O THR A 39 8.463 -0.937 -1.323 1.00 0.00 O ATOM 579 CB THR A 39 9.682 -3.978 -0.910 1.00 0.00 C ATOM 580 OG1 THR A 39 10.015 -5.210 -1.553 1.00 0.00 O ATOM 581 CG2 THR A 39 8.260 -4.100 -0.339 1.00 0.00 C ATOM 0 H THR A 39 11.838 -3.304 -2.111 1.00 0.00 H new ATOM 0 HA THR A 39 9.070 -2.954 -2.705 1.00 0.00 H new ATOM 0 HB THR A 39 10.369 -3.770 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.989 -5.284 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.219 -4.936 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.997 -3.179 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.555 -4.271 -1.152 1.00 0.00 H new ATOM 589 N ILE A 40 10.563 -0.943 -0.499 1.00 0.00 N ATOM 590 CA ILE A 40 10.470 0.373 0.164 1.00 0.00 C ATOM 591 C ILE A 40 10.187 1.461 -0.900 1.00 0.00 C ATOM 592 O ILE A 40 9.131 2.081 -0.883 1.00 0.00 O ATOM 593 CB ILE A 40 11.779 0.703 0.996 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.979 -0.332 2.163 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.756 2.152 1.548 1.00 0.00 C ATOM 596 CD1 ILE A 40 10.856 -0.375 3.187 1.00 0.00 C ATOM 0 H ILE A 40 11.461 -1.410 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 40 9.647 0.350 0.878 1.00 0.00 H new ATOM 0 HB ILE A 40 12.626 0.622 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.094 -1.326 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.911 -0.099 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.669 2.341 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.690 2.856 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.893 2.279 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.087 -1.119 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.752 0.604 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.922 -0.642 2.692 1.00 0.00 H new ATOM 608 N LEU A 41 11.098 1.553 -1.882 1.00 0.00 N ATOM 609 CA LEU A 41 11.037 2.511 -3.025 1.00 0.00 C ATOM 610 C LEU A 41 9.655 2.527 -3.720 1.00 0.00 C ATOM 611 O LEU A 41 9.149 3.594 -4.092 1.00 0.00 O ATOM 612 CB LEU A 41 12.210 2.169 -4.014 1.00 0.00 C ATOM 613 CG LEU A 41 12.089 2.608 -5.523 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.470 3.000 -6.104 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.461 1.490 -6.396 1.00 0.00 C ATOM 0 H LEU A 41 11.922 0.953 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 41 11.164 3.527 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.120 2.616 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.351 1.088 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 41 11.432 3.478 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.355 3.298 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.883 3.831 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.146 2.147 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.394 1.830 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.084 0.597 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.463 1.256 -6.025 1.00 0.00 H new ATOM 627 N GLN A 42 9.048 1.343 -3.853 1.00 0.00 N ATOM 628 CA GLN A 42 7.758 1.171 -4.542 1.00 0.00 C ATOM 629 C GLN A 42 6.585 1.534 -3.603 1.00 0.00 C ATOM 630 O GLN A 42 5.746 2.373 -3.926 1.00 0.00 O ATOM 631 CB GLN A 42 7.621 -0.287 -5.040 1.00 0.00 C ATOM 632 CG GLN A 42 6.321 -0.589 -5.796 1.00 0.00 C ATOM 633 CD GLN A 42 6.156 -2.057 -6.167 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.624 -2.837 -5.385 1.00 0.00 O ATOM 635 NE2 GLN A 42 6.612 -2.444 -7.346 1.00 0.00 N ATOM 0 H GLN A 42 9.435 0.474 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 42 7.725 1.843 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.465 -0.514 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.690 -0.957 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.474 -0.281 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.292 0.012 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.049 -1.767 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.527 -3.420 -7.631 1.00 0.00 H new ATOM 644 N THR A 43 6.585 0.898 -2.422 1.00 0.00 N ATOM 645 CA THR A 43 5.490 0.976 -1.425 1.00 0.00 C ATOM 646 C THR A 43 5.242 2.425 -0.956 1.00 0.00 C ATOM 647 O THR A 43 4.098 2.817 -0.829 1.00 0.00 O ATOM 648 CB THR A 43 5.757 0.033 -0.193 1.00 0.00 C ATOM 649 OG1 THR A 43 5.727 -1.347 -0.618 1.00 0.00 O ATOM 650 CG2 THR A 43 4.757 0.224 0.971 1.00 0.00 C ATOM 0 H THR A 43 7.357 0.303 -2.121 1.00 0.00 H new ATOM 0 HA THR A 43 4.586 0.628 -1.926 1.00 0.00 H new ATOM 0 HB THR A 43 6.741 0.307 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.611 -1.605 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.007 -0.461 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.812 1.251 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.746 0.017 0.620 1.00 0.00 H new ATOM 658 N LEU A 44 6.320 3.207 -0.752 1.00 0.00 N ATOM 659 CA LEU A 44 6.224 4.607 -0.275 1.00 0.00 C ATOM 660 C LEU A 44 5.397 5.476 -1.251 1.00 0.00 C ATOM 661 O LEU A 44 4.412 6.102 -0.861 1.00 0.00 O ATOM 662 CB LEU A 44 7.642 5.213 -0.075 1.00 0.00 C ATOM 663 CG LEU A 44 8.589 4.489 0.942 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.862 5.325 1.215 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.861 4.106 2.250 1.00 0.00 C ATOM 0 H LEU A 44 7.277 2.892 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 44 5.709 4.599 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.140 5.236 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.526 6.247 0.248 1.00 0.00 H new ATOM 0 HG LEU A 44 8.902 3.554 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.499 4.797 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.405 5.476 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.580 6.292 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.559 3.607 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.476 5.006 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.033 3.434 2.022 1.00 0.00 H new ATOM 677 N ARG A 45 5.773 5.457 -2.538 1.00 0.00 N ATOM 678 CA ARG A 45 5.093 6.273 -3.568 1.00 0.00 C ATOM 679 C ARG A 45 3.674 5.739 -3.880 1.00 0.00 C ATOM 680 O ARG A 45 2.800 6.512 -4.290 1.00 0.00 O ATOM 681 CB ARG A 45 5.954 6.371 -4.851 1.00 0.00 C ATOM 682 CG ARG A 45 6.287 5.015 -5.509 1.00 0.00 C ATOM 683 CD ARG A 45 7.074 5.174 -6.814 1.00 0.00 C ATOM 684 NE ARG A 45 6.297 5.903 -7.835 1.00 0.00 N ATOM 685 CZ ARG A 45 6.796 6.478 -8.940 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.096 6.463 -9.198 1.00 0.00 N ATOM 687 NH2 ARG A 45 5.967 7.085 -9.769 1.00 0.00 N ATOM 0 H ARG A 45 6.541 4.889 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 45 4.974 7.279 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.430 6.993 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.887 6.881 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.865 4.408 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.362 4.475 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.004 5.707 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.346 4.190 -7.197 1.00 0.00 H new ATOM 0 HE ARG A 45 5.290 5.976 -7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.739 6.008 -8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.453 6.906 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.968 7.110 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.325 7.529 -10.615 1.00 0.00 H new ATOM 701 N ILE A 46 3.459 4.420 -3.674 1.00 0.00 N ATOM 702 CA ILE A 46 2.120 3.796 -3.797 1.00 0.00 C ATOM 703 C ILE A 46 1.203 4.292 -2.667 1.00 0.00 C ATOM 704 O ILE A 46 0.082 4.718 -2.929 1.00 0.00 O ATOM 705 CB ILE A 46 2.196 2.214 -3.793 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.845 1.707 -5.114 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.810 1.548 -3.571 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.900 0.192 -5.259 1.00 0.00 C ATOM 0 H ILE A 46 4.198 3.764 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 46 1.704 4.095 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 46 2.820 1.922 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.289 2.118 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.859 2.101 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.922 0.464 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.404 1.865 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.130 1.847 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.368 -0.066 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.483 -0.231 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.888 -0.213 -5.231 1.00 0.00 H new ATOM 720 N GLU A 47 1.743 4.280 -1.425 1.00 0.00 N ATOM 721 CA GLU A 47 1.025 4.696 -0.198 1.00 0.00 C ATOM 722 C GLU A 47 0.384 6.075 -0.380 1.00 0.00 C ATOM 723 O GLU A 47 -0.777 6.268 -0.023 1.00 0.00 O ATOM 724 CB GLU A 47 1.982 4.749 1.028 1.00 0.00 C ATOM 725 CG GLU A 47 2.302 3.419 1.718 1.00 0.00 C ATOM 726 CD GLU A 47 3.335 3.579 2.845 1.00 0.00 C ATOM 727 OE1 GLU A 47 2.950 4.032 3.949 1.00 0.00 O ATOM 728 OE2 GLU A 47 4.524 3.263 2.639 1.00 0.00 O ATOM 0 H GLU A 47 2.700 3.978 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 47 0.249 3.952 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.921 5.198 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.546 5.419 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.385 2.995 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.680 2.711 0.980 1.00 0.00 H new ATOM 735 N ARG A 48 1.167 7.006 -0.961 1.00 0.00 N ATOM 736 CA ARG A 48 0.737 8.387 -1.203 1.00 0.00 C ATOM 737 C ARG A 48 -0.556 8.408 -2.031 1.00 0.00 C ATOM 738 O ARG A 48 -1.591 8.880 -1.568 1.00 0.00 O ATOM 739 CB ARG A 48 1.832 9.180 -1.966 1.00 0.00 C ATOM 740 CG ARG A 48 1.599 10.714 -1.975 1.00 0.00 C ATOM 741 CD ARG A 48 2.266 11.451 -3.137 1.00 0.00 C ATOM 742 NE ARG A 48 1.532 11.272 -4.407 1.00 0.00 N ATOM 743 CZ ARG A 48 1.554 12.131 -5.434 1.00 0.00 C ATOM 744 NH1 ARG A 48 2.337 13.202 -5.423 1.00 0.00 N ATOM 745 NH2 ARG A 48 0.801 11.902 -6.489 1.00 0.00 N ATOM 0 H ARG A 48 2.118 6.815 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 48 0.562 8.854 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.801 8.971 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.877 8.822 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.526 10.905 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.968 11.130 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.329 12.514 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.287 11.090 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 48 0.965 10.430 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.939 13.385 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.337 13.842 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.206 11.074 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.813 12.552 -7.275 1.00 0.00 H new ATOM 759 N ASP A 49 -0.483 7.809 -3.227 1.00 0.00 N ATOM 760 CA ASP A 49 -1.562 7.868 -4.220 1.00 0.00 C ATOM 761 C ASP A 49 -2.784 7.046 -3.807 1.00 0.00 C ATOM 762 O ASP A 49 -3.900 7.404 -4.175 1.00 0.00 O ATOM 763 CB ASP A 49 -1.033 7.425 -5.598 1.00 0.00 C ATOM 764 CG ASP A 49 -0.107 8.484 -6.208 1.00 0.00 C ATOM 765 OD1 ASP A 49 -0.625 9.425 -6.843 1.00 0.00 O ATOM 766 OD2 ASP A 49 1.123 8.414 -6.025 1.00 0.00 O ATOM 0 H ASP A 49 0.327 7.270 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.897 8.903 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.494 6.483 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.872 7.242 -6.270 1.00 0.00 H new ATOM 771 N GLU A 50 -2.562 5.968 -3.025 1.00 0.00 N ATOM 772 CA GLU A 50 -3.639 5.093 -2.526 1.00 0.00 C ATOM 773 C GLU A 50 -4.571 5.846 -1.572 1.00 0.00 C ATOM 774 O GLU A 50 -5.785 5.859 -1.772 1.00 0.00 O ATOM 775 CB GLU A 50 -3.047 3.831 -1.835 1.00 0.00 C ATOM 776 CG GLU A 50 -2.458 2.804 -2.819 1.00 0.00 C ATOM 777 CD GLU A 50 -3.491 2.247 -3.817 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.267 1.349 -3.439 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.533 2.700 -4.983 1.00 0.00 O ATOM 0 H GLU A 50 -1.631 5.682 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.230 4.771 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.268 4.141 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.828 3.350 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.643 3.270 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.027 1.977 -2.254 1.00 0.00 H new ATOM 786 N ARG A 51 -3.983 6.491 -0.557 1.00 0.00 N ATOM 787 CA ARG A 51 -4.748 7.230 0.465 1.00 0.00 C ATOM 788 C ARG A 51 -5.409 8.497 -0.132 1.00 0.00 C ATOM 789 O ARG A 51 -6.439 8.945 0.362 1.00 0.00 O ATOM 790 CB ARG A 51 -3.843 7.563 1.683 1.00 0.00 C ATOM 791 CG ARG A 51 -2.591 8.413 1.357 1.00 0.00 C ATOM 792 CD ARG A 51 -1.600 8.508 2.537 1.00 0.00 C ATOM 793 NE ARG A 51 -2.232 9.116 3.722 1.00 0.00 N ATOM 794 CZ ARG A 51 -2.414 8.511 4.904 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.910 7.311 5.144 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.099 9.136 5.834 1.00 0.00 N ATOM 0 H ARG A 51 -2.973 6.518 -0.418 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.558 6.592 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.440 8.093 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.520 6.629 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.081 7.982 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.905 9.417 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.234 7.512 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.734 9.100 2.240 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.558 10.078 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.372 6.830 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.059 6.867 6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.481 10.064 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.249 8.694 6.741 1.00 0.00 H new ATOM 810 N LEU A 52 -4.808 9.043 -1.208 1.00 0.00 N ATOM 811 CA LEU A 52 -5.375 10.173 -1.974 1.00 0.00 C ATOM 812 C LEU A 52 -6.670 9.767 -2.712 1.00 0.00 C ATOM 813 O LEU A 52 -7.722 10.383 -2.523 1.00 0.00 O ATOM 814 CB LEU A 52 -4.318 10.688 -2.987 1.00 0.00 C ATOM 815 CG LEU A 52 -3.111 11.459 -2.374 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.961 11.622 -3.389 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.576 12.812 -1.823 1.00 0.00 C ATOM 0 H LEU A 52 -3.914 8.713 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.634 10.968 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.934 9.836 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.817 11.341 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.714 10.870 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.139 12.165 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.613 10.639 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.317 12.178 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.725 13.343 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.007 13.405 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.328 12.651 -1.050 1.00 0.00 H new ATOM 829 N ARG A 53 -6.569 8.704 -3.542 1.00 0.00 N ATOM 830 CA ARG A 53 -7.691 8.225 -4.387 1.00 0.00 C ATOM 831 C ARG A 53 -8.774 7.518 -3.545 1.00 0.00 C ATOM 832 O ARG A 53 -9.924 7.408 -3.979 1.00 0.00 O ATOM 833 CB ARG A 53 -7.160 7.300 -5.517 1.00 0.00 C ATOM 834 CG ARG A 53 -6.503 5.987 -5.036 1.00 0.00 C ATOM 835 CD ARG A 53 -5.810 5.207 -6.171 1.00 0.00 C ATOM 836 NE ARG A 53 -4.805 6.019 -6.891 1.00 0.00 N ATOM 837 CZ ARG A 53 -3.724 5.534 -7.521 1.00 0.00 C ATOM 838 NH1 ARG A 53 -3.381 4.259 -7.405 1.00 0.00 N ATOM 839 NH2 ARG A 53 -2.961 6.355 -8.223 1.00 0.00 N ATOM 0 H ARG A 53 -5.715 8.156 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.162 9.093 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.988 7.052 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.433 7.856 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.771 6.216 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.263 5.353 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.327 4.323 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.562 4.857 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.945 7.029 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.942 3.630 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.556 3.907 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.197 7.346 -8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.137 5.998 -8.706 1.00 0.00 H new ATOM 853 N ALA A 54 -8.397 7.054 -2.340 1.00 0.00 N ATOM 854 CA ALA A 54 -9.350 6.501 -1.362 1.00 0.00 C ATOM 855 C ALA A 54 -10.241 7.630 -0.834 1.00 0.00 C ATOM 856 O ALA A 54 -11.469 7.548 -0.874 1.00 0.00 O ATOM 857 CB ALA A 54 -8.604 5.809 -0.207 1.00 0.00 C ATOM 0 H ALA A 54 -7.429 7.052 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.972 5.751 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.326 5.408 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.994 4.997 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.962 6.532 0.297 1.00 0.00 H new ATOM 863 N CYS A 55 -9.579 8.712 -0.408 1.00 0.00 N ATOM 864 CA CYS A 55 -10.225 9.893 0.173 1.00 0.00 C ATOM 865 C CYS A 55 -10.896 10.795 -0.896 1.00 0.00 C ATOM 866 O CYS A 55 -11.514 11.807 -0.549 1.00 0.00 O ATOM 867 CB CYS A 55 -9.170 10.678 0.961 1.00 0.00 C ATOM 868 SG CYS A 55 -8.436 9.727 2.309 1.00 0.00 S ATOM 0 H CYS A 55 -8.563 8.792 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.028 9.561 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.382 10.999 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.627 11.580 1.368 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.374 9.114 1.879 1.00 0.00 H new ATOM 874 N ASP A 56 -10.789 10.406 -2.185 1.00 0.00 N ATOM 875 CA ASP A 56 -11.386 11.144 -3.323 1.00 0.00 C ATOM 876 C ASP A 56 -12.941 11.103 -3.288 1.00 0.00 C ATOM 877 O ASP A 56 -13.603 11.894 -3.977 1.00 0.00 O ATOM 878 CB ASP A 56 -10.839 10.562 -4.659 1.00 0.00 C ATOM 879 CG ASP A 56 -11.270 11.358 -5.908 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.815 12.509 -6.070 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.042 10.832 -6.737 1.00 0.00 O ATOM 0 H ASP A 56 -10.283 9.567 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.100 12.193 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.750 10.536 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.179 9.531 -4.761 1.00 0.00 H new ATOM 886 N TRP A 57 -13.515 10.198 -2.448 1.00 0.00 N ATOM 887 CA TRP A 57 -14.981 10.084 -2.244 1.00 0.00 C ATOM 888 C TRP A 57 -15.571 11.404 -1.690 1.00 0.00 C ATOM 889 O TRP A 57 -16.757 11.646 -1.821 1.00 0.00 O ATOM 890 CB TRP A 57 -15.344 8.889 -1.293 1.00 0.00 C ATOM 891 CG TRP A 57 -14.998 9.106 0.170 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.792 8.908 0.766 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.873 9.586 1.204 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.858 9.232 2.092 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.121 9.645 2.389 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.216 9.972 1.244 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.657 10.074 3.598 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.749 10.405 2.445 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.970 10.450 3.609 1.00 0.00 C ATOM 0 H TRP A 57 -12.974 9.531 -1.897 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.424 9.886 -3.220 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.413 8.692 -1.373 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.828 7.995 -1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.908 8.546 0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.084 9.174 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.826 9.933 0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.057 10.109 4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.783 10.714 2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.416 10.788 4.532 1.00 0.00 H new ATOM 910 N THR A 58 -14.719 12.243 -1.068 1.00 0.00 N ATOM 911 CA THR A 58 -15.130 13.544 -0.493 1.00 0.00 C ATOM 912 C THR A 58 -15.110 14.665 -1.540 1.00 0.00 C ATOM 913 O THR A 58 -15.614 15.762 -1.284 1.00 0.00 O ATOM 914 CB THR A 58 -14.185 13.939 0.672 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.844 14.121 0.183 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.188 12.868 1.751 1.00 0.00 C ATOM 0 H THR A 58 -13.727 12.040 -0.949 1.00 0.00 H new ATOM 0 HA THR A 58 -16.151 13.423 -0.130 1.00 0.00 H new ATOM 0 HB THR A 58 -14.545 14.874 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.436 13.246 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.519 13.164 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.198 12.748 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.849 11.923 1.327 1.00 0.00 H new ATOM 924 N GLN A 59 -14.504 14.378 -2.702 1.00 0.00 N ATOM 925 CA GLN A 59 -14.303 15.351 -3.793 1.00 0.00 C ATOM 926 C GLN A 59 -15.287 15.101 -4.951 1.00 0.00 C ATOM 927 O GLN A 59 -15.529 16.001 -5.765 1.00 0.00 O ATOM 928 CB GLN A 59 -12.822 15.274 -4.278 1.00 0.00 C ATOM 929 CG GLN A 59 -11.803 15.481 -3.138 1.00 0.00 C ATOM 930 CD GLN A 59 -11.913 16.855 -2.458 1.00 0.00 C ATOM 931 OE1 GLN A 59 -12.176 17.872 -3.106 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.783 16.876 -1.141 1.00 0.00 N ATOM 0 H GLN A 59 -14.134 13.452 -2.916 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.504 16.355 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.647 14.303 -4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.657 16.029 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.945 14.702 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.795 15.361 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.565 16.017 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.901 17.751 -0.631 1.00 0.00 H new ATOM 941 N VAL A 60 -15.854 13.874 -5.012 1.00 0.00 N ATOM 942 CA VAL A 60 -16.867 13.500 -6.027 1.00 0.00 C ATOM 943 C VAL A 60 -18.179 14.300 -5.843 1.00 0.00 C ATOM 944 O VAL A 60 -18.422 14.873 -4.778 1.00 0.00 O ATOM 945 CB VAL A 60 -17.170 11.950 -6.014 1.00 0.00 C ATOM 946 CG1 VAL A 60 -15.870 11.120 -6.186 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.956 11.523 -4.749 1.00 0.00 C ATOM 0 H VAL A 60 -15.625 13.120 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.441 13.754 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 60 -17.811 11.740 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.112 10.057 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.400 11.373 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.184 11.346 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.143 10.450 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.373 11.763 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.906 12.056 -4.714 1.00 0.00 H new ATOM 957 N GLN A 61 -19.015 14.319 -6.896 1.00 0.00 N ATOM 958 CA GLN A 61 -20.294 15.064 -6.909 1.00 0.00 C ATOM 959 C GLN A 61 -21.391 14.330 -6.107 1.00 0.00 C ATOM 960 O GLN A 61 -22.392 14.941 -5.720 1.00 0.00 O ATOM 961 CB GLN A 61 -20.770 15.294 -8.365 1.00 0.00 C ATOM 962 CG GLN A 61 -21.034 14.011 -9.177 1.00 0.00 C ATOM 963 CD GLN A 61 -21.544 14.282 -10.593 1.00 0.00 C ATOM 964 OE1 GLN A 61 -22.216 15.285 -10.855 1.00 0.00 O ATOM 965 NE2 GLN A 61 -21.239 13.387 -11.512 1.00 0.00 N ATOM 0 H GLN A 61 -18.826 13.819 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.116 16.027 -6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.685 15.886 -8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.019 15.888 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.113 13.431 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.763 13.398 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.682 12.570 -11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.560 13.512 -12.472 1.00 0.00 H new ATOM 974 N ASP A 62 -21.186 13.020 -5.878 1.00 0.00 N ATOM 975 CA ASP A 62 -22.144 12.154 -5.158 1.00 0.00 C ATOM 976 C ASP A 62 -22.280 12.554 -3.675 1.00 0.00 C ATOM 977 O ASP A 62 -23.394 12.620 -3.143 1.00 0.00 O ATOM 978 CB ASP A 62 -21.697 10.669 -5.283 1.00 0.00 C ATOM 979 CG ASP A 62 -22.557 9.680 -4.467 1.00 0.00 C ATOM 980 OD1 ASP A 62 -23.742 9.479 -4.813 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.046 9.094 -3.481 1.00 0.00 O ATOM 0 H ASP A 62 -20.348 12.528 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.125 12.281 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.727 10.379 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.660 10.585 -4.959 1.00 0.00 H new ATOM 986 N VAL A 63 -21.135 12.846 -3.037 1.00 0.00 N ATOM 987 CA VAL A 63 -21.047 13.008 -1.577 1.00 0.00 C ATOM 988 C VAL A 63 -21.739 14.303 -1.078 1.00 0.00 C ATOM 989 O VAL A 63 -21.728 15.337 -1.766 1.00 0.00 O ATOM 990 CB VAL A 63 -19.547 12.974 -1.106 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.746 14.200 -1.621 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.437 12.832 0.425 1.00 0.00 C ATOM 0 H VAL A 63 -20.245 12.976 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.582 12.168 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.095 12.088 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.716 14.134 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.759 14.212 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.200 15.116 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.386 12.812 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.929 13.678 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.918 11.906 0.740 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.343 14.217 0.122 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.937 15.354 0.831 1.00 0.00 C ATOM 1004 C VAL A 64 -22.144 15.626 2.128 1.00 0.00 C ATOM 1005 O VAL A 64 -22.184 14.842 3.081 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.481 15.124 1.115 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.771 13.778 1.843 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.099 16.326 1.874 1.00 0.00 C ATOM 0 H VAL A 64 -22.431 13.337 0.631 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.872 16.238 0.196 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.967 15.054 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.844 13.678 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.420 12.949 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.252 13.764 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.158 16.138 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.587 16.456 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.988 17.230 1.276 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.361 16.718 2.122 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.598 17.204 3.283 1.00 0.00 C ATOM 1020 C LEU A 65 -20.726 18.737 3.321 1.00 0.00 C ATOM 1021 O LEU A 65 -21.309 19.339 2.407 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.092 16.801 3.170 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.755 15.274 3.135 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.273 15.029 2.755 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.104 14.602 4.476 1.00 0.00 C ATOM 0 H LEU A 65 -21.239 17.299 1.293 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.993 16.758 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.689 17.255 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.561 17.244 4.013 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.370 14.817 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.074 13.958 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.076 15.448 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.625 15.509 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.860 13.541 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.530 15.068 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.169 14.721 4.676 1.00 0.00 H new ATOM 1037 N THR A 66 -20.155 19.371 4.354 1.00 0.00 N ATOM 1038 CA THR A 66 -20.094 20.842 4.427 1.00 0.00 C ATOM 1039 C THR A 66 -18.906 21.336 3.578 1.00 0.00 C ATOM 1040 O THR A 66 -18.007 20.545 3.244 1.00 0.00 O ATOM 1041 CB THR A 66 -19.954 21.343 5.902 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.684 20.937 6.434 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.082 20.805 6.816 1.00 0.00 C ATOM 0 H THR A 66 -19.730 18.893 5.149 1.00 0.00 H new ATOM 0 HA THR A 66 -21.027 21.249 4.037 1.00 0.00 H new ATOM 0 HB THR A 66 -20.030 22.430 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.600 21.254 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.940 21.181 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.048 21.139 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.053 19.715 6.826 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.928 22.626 3.208 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.825 23.264 2.465 1.00 0.00 C ATOM 1053 C ALA A 67 -16.509 23.135 3.253 1.00 0.00 C ATOM 1054 O ALA A 67 -15.475 22.784 2.689 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.147 24.740 2.176 1.00 0.00 C ATOM 0 H ALA A 67 -19.705 23.255 3.413 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.707 22.752 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.321 25.192 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -19.057 24.804 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.292 25.272 3.116 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.609 23.403 4.571 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.503 23.246 5.543 1.00 0.00 C ATOM 1063 C ASP A 68 -14.833 21.857 5.441 1.00 0.00 C ATOM 1064 O ASP A 68 -13.625 21.768 5.216 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.042 23.476 6.981 1.00 0.00 C ATOM 1066 CG ASP A 68 -14.982 23.286 8.085 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.151 24.196 8.291 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -14.959 22.218 8.732 1.00 0.00 O ATOM 0 H ASP A 68 -17.472 23.740 4.998 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.741 23.989 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.446 24.486 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.868 22.789 7.163 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.653 20.790 5.578 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.177 19.384 5.521 1.00 0.00 C ATOM 1075 C GLN A 69 -14.520 19.076 4.168 1.00 0.00 C ATOM 1076 O GLN A 69 -13.352 18.692 4.118 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.335 18.392 5.814 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.871 18.489 7.249 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.038 17.550 7.539 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.149 16.475 6.957 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -18.922 17.958 8.436 1.00 0.00 N ATOM 0 H GLN A 69 -16.658 20.876 5.730 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.421 19.257 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.151 18.580 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.988 17.375 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.061 18.271 7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.187 19.515 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.799 18.857 8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.726 17.373 8.662 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.259 19.344 3.081 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.800 19.115 1.681 1.00 0.00 C ATOM 1092 C LYS A 70 -13.510 19.894 1.339 1.00 0.00 C ATOM 1093 O LYS A 70 -12.735 19.457 0.481 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.922 19.477 0.677 1.00 0.00 C ATOM 1095 CG LYS A 70 -17.081 18.466 0.647 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.262 18.903 -0.260 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.265 17.763 -0.514 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.356 18.164 -1.433 1.00 0.00 N ATOM 0 H LYS A 70 -16.202 19.729 3.137 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.565 18.054 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.318 20.461 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.492 19.552 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.704 17.504 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.449 18.317 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.781 19.742 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.871 19.258 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.738 16.906 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.693 17.441 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.957 17.340 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.930 18.908 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.948 18.526 -2.319 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.272 21.024 2.035 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.097 21.893 1.787 1.00 0.00 C ATOM 1114 C ALA A 71 -10.881 21.351 2.555 1.00 0.00 C ATOM 1115 O ALA A 71 -9.752 21.357 2.053 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.394 23.341 2.205 1.00 0.00 C ATOM 0 H ALA A 71 -13.882 21.361 2.780 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.876 21.889 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.518 23.962 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.239 23.720 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.636 23.371 3.267 1.00 0.00 H new ATOM 1122 N THR A 72 -11.142 20.933 3.815 1.00 0.00 N ATOM 1123 CA THR A 72 -10.170 20.212 4.662 1.00 0.00 C ATOM 1124 C THR A 72 -9.605 18.972 3.930 1.00 0.00 C ATOM 1125 O THR A 72 -8.402 18.726 3.946 1.00 0.00 O ATOM 1126 CB THR A 72 -10.790 19.772 6.035 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.547 20.846 6.594 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.714 19.360 7.045 1.00 0.00 C ATOM 0 H THR A 72 -12.040 21.089 4.274 1.00 0.00 H new ATOM 0 HA THR A 72 -9.359 20.912 4.864 1.00 0.00 H new ATOM 0 HB THR A 72 -11.429 18.912 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.443 20.857 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.188 19.063 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.142 18.522 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.045 20.201 7.228 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.501 18.230 3.260 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.140 17.057 2.438 1.00 0.00 C ATOM 1138 C TRP A 73 -9.441 17.469 1.124 1.00 0.00 C ATOM 1139 O TRP A 73 -8.560 16.759 0.633 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.394 16.227 2.122 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.946 15.423 3.285 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.005 15.731 4.094 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.492 14.135 3.717 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.232 14.722 4.983 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.324 13.733 4.778 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.470 13.282 3.302 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.170 12.513 5.420 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.310 12.080 3.955 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.162 11.704 4.995 1.00 0.00 C ATOM 0 H TRP A 73 -11.502 18.425 3.271 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.438 16.456 3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.174 16.899 1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.161 15.543 1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.580 16.644 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.967 14.712 5.690 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.818 13.558 2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.825 12.217 6.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.511 11.417 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.017 10.747 5.474 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.864 18.612 0.555 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.256 19.166 -0.674 1.00 0.00 C ATOM 1162 C ALA A 74 -7.826 19.673 -0.402 1.00 0.00 C ATOM 1163 O ALA A 74 -6.982 19.668 -1.299 1.00 0.00 O ATOM 1164 CB ALA A 74 -10.142 20.286 -1.239 1.00 0.00 C ATOM 0 H ALA A 74 -10.629 19.175 0.927 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.186 18.372 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.687 20.688 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.128 19.886 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.241 21.080 -0.499 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.572 20.065 0.859 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.267 20.581 1.318 1.00 0.00 C ATOM 1172 C LYS A 75 -5.381 19.396 1.735 1.00 0.00 C ATOM 1173 O LYS A 75 -4.153 19.429 1.578 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.473 21.557 2.510 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.184 22.254 3.008 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.419 23.174 4.228 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.397 24.331 3.946 1.00 0.00 C ATOM 1178 NZ LYS A 75 -6.709 25.093 5.182 1.00 0.00 N ATOM 0 H LYS A 75 -8.274 20.033 1.598 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.779 21.127 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.192 22.321 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.915 21.006 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.447 21.495 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.760 22.842 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.804 22.577 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.463 23.587 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.965 25.001 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.318 23.934 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.370 25.864 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.144 24.458 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.832 25.492 5.575 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.053 18.350 2.273 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.454 17.046 2.618 1.00 0.00 C ATOM 1194 C TYR A 76 -4.746 16.453 1.393 1.00 0.00 C ATOM 1195 O TYR A 76 -3.631 15.948 1.507 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.568 16.089 3.145 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.166 14.621 3.365 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.268 14.256 4.367 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.704 13.596 2.578 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.930 12.936 4.577 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.359 12.275 2.786 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.471 11.949 3.786 1.00 0.00 C ATOM 1203 OH TYR A 76 -5.133 10.628 4.012 1.00 0.00 O ATOM 0 H TYR A 76 -7.050 18.395 2.483 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.710 17.178 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.939 16.486 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.399 16.113 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.829 15.021 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.403 13.843 1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.238 12.676 5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.785 11.500 2.166 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.601 10.056 3.369 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.405 16.570 0.221 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.856 16.091 -1.055 1.00 0.00 C ATOM 1215 C ARG A 77 -3.548 16.823 -1.414 1.00 0.00 C ATOM 1216 O ARG A 77 -2.564 16.185 -1.777 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.884 16.251 -2.205 1.00 0.00 C ATOM 1218 CG ARG A 77 -5.399 15.670 -3.563 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.451 15.752 -4.671 1.00 0.00 C ATOM 1220 NE ARG A 77 -5.956 15.198 -5.954 1.00 0.00 N ATOM 1221 CZ ARG A 77 -6.250 13.981 -6.450 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -6.972 13.097 -5.759 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -5.803 13.658 -7.653 1.00 0.00 N ATOM 0 H ARG A 77 -6.327 16.997 0.138 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.636 15.031 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.814 15.758 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.111 17.309 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.505 16.207 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.112 14.628 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.344 15.209 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.744 16.792 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.339 15.790 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.317 13.336 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.179 12.182 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.247 14.326 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.015 12.741 -8.047 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.559 18.158 -1.288 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.437 19.017 -1.735 1.00 0.00 C ATOM 1239 C GLN A 78 -1.180 18.820 -0.865 1.00 0.00 C ATOM 1240 O GLN A 78 -0.067 18.644 -1.383 1.00 0.00 O ATOM 1241 CB GLN A 78 -2.870 20.506 -1.724 1.00 0.00 C ATOM 1242 CG GLN A 78 -4.221 20.793 -2.421 1.00 0.00 C ATOM 1243 CD GLN A 78 -4.349 20.244 -3.847 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -5.435 19.858 -4.281 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.257 20.235 -4.594 1.00 0.00 N ATOM 0 H GLN A 78 -4.336 18.676 -0.878 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.180 18.722 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.932 20.844 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.094 21.099 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.022 20.372 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.375 21.872 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.371 20.561 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.301 19.902 -5.557 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.389 18.825 0.460 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.315 18.664 1.459 1.00 0.00 C ATOM 1256 C ALA A 79 0.327 17.262 1.396 1.00 0.00 C ATOM 1257 O ALA A 79 1.468 17.069 1.825 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.885 18.942 2.858 1.00 0.00 C ATOM 0 H ALA A 79 -2.314 18.942 0.874 1.00 0.00 H new ATOM 0 HA ALA A 79 0.476 19.380 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.097 18.825 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.273 19.960 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.690 18.239 3.069 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.426 16.299 0.851 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.020 14.891 0.744 1.00 0.00 C ATOM 1266 C LEU A 80 0.737 14.674 -0.602 1.00 0.00 C ATOM 1267 O LEU A 80 1.771 14.004 -0.651 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.300 14.014 0.857 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.185 12.635 1.572 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.581 12.040 1.817 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.300 11.649 0.788 1.00 0.00 C ATOM 0 H LEU A 80 -1.353 16.479 0.464 1.00 0.00 H new ATOM 0 HA LEU A 80 0.664 14.606 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.059 14.597 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.672 13.836 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.701 12.804 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.483 11.077 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.160 12.717 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.091 11.903 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.248 10.701 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.727 11.484 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.703 12.063 0.685 1.00 0.00 H new ATOM 1283 N ARG A 81 0.184 15.282 -1.684 1.00 0.00 N ATOM 1284 CA ARG A 81 0.764 15.265 -3.053 1.00 0.00 C ATOM 1285 C ARG A 81 2.094 16.020 -3.120 1.00 0.00 C ATOM 1286 O ARG A 81 2.862 15.820 -4.071 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.233 15.823 -4.113 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.302 14.807 -4.558 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.100 15.241 -5.799 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.766 14.085 -6.445 1.00 0.00 N ATOM 1291 CZ ARG A 81 -2.416 13.552 -7.635 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -1.466 14.112 -8.384 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -3.041 12.472 -8.082 1.00 0.00 N ATOM 0 H ARG A 81 -0.690 15.805 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 81 0.959 14.219 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.730 16.702 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.328 16.152 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.817 13.853 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.995 14.640 -3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.848 15.980 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.432 15.724 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.550 13.659 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.992 14.955 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.213 13.697 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.784 12.046 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.779 12.067 -8.981 1.00 0.00 H new ATOM 1307 N ASP A 82 2.313 16.924 -2.142 1.00 0.00 N ATOM 1308 CA ASP A 82 3.584 17.671 -1.947 1.00 0.00 C ATOM 1309 C ASP A 82 4.840 16.780 -2.146 1.00 0.00 C ATOM 1310 O ASP A 82 5.865 17.243 -2.657 1.00 0.00 O ATOM 1311 CB ASP A 82 3.576 18.291 -0.530 1.00 0.00 C ATOM 1312 CG ASP A 82 4.869 19.045 -0.172 1.00 0.00 C ATOM 1313 OD1 ASP A 82 5.015 20.216 -0.577 1.00 0.00 O ATOM 1314 OD2 ASP A 82 5.747 18.467 0.512 1.00 0.00 O ATOM 0 H ASP A 82 1.602 17.163 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 82 3.643 18.451 -2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.733 18.977 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.414 17.499 0.201 1.00 0.00 H new ATOM 1319 N LEU A 83 4.731 15.501 -1.747 1.00 0.00 N ATOM 1320 CA LEU A 83 5.756 14.482 -2.017 1.00 0.00 C ATOM 1321 C LEU A 83 5.586 13.999 -3.478 1.00 0.00 C ATOM 1322 O LEU A 83 4.596 13.343 -3.771 1.00 0.00 O ATOM 1323 CB LEU A 83 5.629 13.276 -1.025 1.00 0.00 C ATOM 1324 CG LEU A 83 5.823 13.592 0.502 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.610 14.343 1.102 1.00 0.00 C ATOM 1326 CD2 LEU A 83 6.145 12.306 1.309 1.00 0.00 C ATOM 0 H LEU A 83 3.928 15.146 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 83 6.746 14.915 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.643 12.830 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.362 12.522 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 83 6.681 14.260 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.790 14.539 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.470 15.287 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.714 13.732 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.273 12.559 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.325 11.596 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.063 11.858 0.929 1.00 0.00 H new ATOM 1453 N GLN A 92 12.454 9.494 3.166 1.00 0.00 N ATOM 1454 CA GLN A 92 11.478 9.118 4.210 1.00 0.00 C ATOM 1455 C GLN A 92 10.116 9.752 3.880 1.00 0.00 C ATOM 1456 O GLN A 92 10.039 10.758 3.150 1.00 0.00 O ATOM 1457 CB GLN A 92 11.972 9.562 5.620 1.00 0.00 C ATOM 1458 CG GLN A 92 13.276 8.862 6.085 1.00 0.00 C ATOM 1459 CD GLN A 92 13.805 9.351 7.436 1.00 0.00 C ATOM 1460 OE1 GLN A 92 13.615 10.509 7.815 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.478 8.475 8.175 1.00 0.00 N ATOM 0 HA GLN A 92 11.373 8.033 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.134 10.640 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.186 9.362 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.097 7.788 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.046 9.015 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.620 7.524 7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.853 8.754 9.082 1.00 0.00 H new ATOM 1470 N ILE A 93 9.039 9.159 4.415 1.00 0.00 N ATOM 1471 CA ILE A 93 7.653 9.586 4.123 1.00 0.00 C ATOM 1472 C ILE A 93 7.056 10.399 5.292 1.00 0.00 C ATOM 1473 O ILE A 93 7.095 9.973 6.453 1.00 0.00 O ATOM 1474 CB ILE A 93 6.735 8.358 3.759 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.768 7.267 4.873 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.167 7.770 2.395 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.840 6.089 4.651 1.00 0.00 C ATOM 0 H ILE A 93 9.098 8.372 5.061 1.00 0.00 H new ATOM 0 HA ILE A 93 7.692 10.239 3.251 1.00 0.00 H new ATOM 0 HB ILE A 93 5.705 8.708 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.788 6.893 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 93 6.514 7.734 5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.530 6.921 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.071 8.534 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.204 7.441 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.938 5.388 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.811 6.443 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.104 5.589 3.719 1.00 0.00 H new ATOM 1489 N VAL A 94 6.561 11.599 4.954 1.00 0.00 N ATOM 1490 CA VAL A 94 5.901 12.517 5.890 1.00 0.00 C ATOM 1491 C VAL A 94 4.674 13.091 5.177 1.00 0.00 C ATOM 1492 O VAL A 94 4.813 13.937 4.291 1.00 0.00 O ATOM 1493 CB VAL A 94 6.847 13.685 6.392 1.00 0.00 C ATOM 1494 CG1 VAL A 94 6.105 14.623 7.379 1.00 0.00 C ATOM 1495 CG2 VAL A 94 8.143 13.134 7.042 1.00 0.00 C ATOM 0 H VAL A 94 6.610 11.964 4.003 1.00 0.00 H new ATOM 0 HA VAL A 94 5.622 11.963 6.786 1.00 0.00 H new ATOM 0 HB VAL A 94 7.132 14.264 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.780 15.414 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.242 15.065 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.771 14.050 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.766 13.965 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.884 12.511 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.691 12.538 6.312 1.00 0.00 H new ATOM 1505 N TRP A 95 3.485 12.611 5.530 1.00 0.00 N ATOM 1506 CA TRP A 95 2.229 13.067 4.918 1.00 0.00 C ATOM 1507 C TRP A 95 1.112 13.124 5.966 1.00 0.00 C ATOM 1508 O TRP A 95 1.171 12.382 6.960 1.00 0.00 O ATOM 1509 CB TRP A 95 1.831 12.206 3.686 1.00 0.00 C ATOM 1510 CG TRP A 95 1.960 10.704 3.830 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.439 9.884 4.799 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.640 9.853 2.915 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.777 8.576 4.531 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.516 8.546 3.388 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.351 10.087 1.736 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.077 7.475 2.726 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.912 9.020 1.079 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.766 7.728 1.579 1.00 0.00 C ATOM 0 H TRP A 95 3.359 11.896 6.247 1.00 0.00 H new ATOM 0 HA TRP A 95 2.388 14.078 4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.796 12.435 3.432 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.443 12.520 2.841 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.853 10.214 5.644 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.517 7.766 5.094 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.458 11.089 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.974 6.469 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.470 9.183 0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.212 6.904 1.042 1.00 0.00 H new ATOM 1529 N PRO A 96 0.080 14.014 5.781 1.00 0.00 N ATOM 1530 CA PRO A 96 -1.088 14.088 6.684 1.00 0.00 C ATOM 1531 C PRO A 96 -1.920 12.784 6.697 1.00 0.00 C ATOM 1532 O PRO A 96 -2.036 12.093 5.667 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.930 15.276 6.110 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.978 16.049 5.247 1.00 0.00 C ATOM 1535 CD PRO A 96 -0.014 15.034 4.693 1.00 0.00 C ATOM 0 HA PRO A 96 -0.783 14.231 7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.780 14.914 5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.330 15.898 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.507 16.565 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.455 16.810 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.380 14.597 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.957 15.479 4.475 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.463 12.439 7.877 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.540 11.448 8.016 1.00 0.00 C ATOM 1545 C GLN A 97 -4.873 12.198 7.961 1.00 0.00 C ATOM 1546 O GLN A 97 -4.919 13.371 8.337 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.396 10.654 9.335 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.455 9.550 9.527 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.257 8.713 10.783 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.564 7.703 10.758 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.860 9.117 11.884 1.00 0.00 N ATOM 0 H GLN A 97 -2.164 12.843 8.765 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.489 10.719 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.405 10.201 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.456 11.349 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.442 10.010 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.440 8.892 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.430 9.963 11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.756 8.584 12.747 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.935 11.531 7.482 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.272 12.137 7.263 1.00 0.00 C ATOM 1562 C LEU A 98 -7.829 12.909 8.501 1.00 0.00 C ATOM 1563 O LEU A 98 -7.563 12.531 9.645 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.276 11.050 6.749 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.159 9.598 7.311 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.345 9.513 8.837 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -9.141 8.656 6.583 1.00 0.00 C ATOM 0 H LEU A 98 -5.896 10.543 7.231 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.151 12.900 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.285 11.406 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.177 10.994 5.665 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.137 9.273 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.251 8.476 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.583 10.116 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.333 9.887 9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.046 7.648 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.161 9.011 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.910 8.643 5.518 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.588 14.032 8.272 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.082 14.914 9.370 1.00 0.00 C ATOM 1581 C PRO A 99 -10.184 14.250 10.229 1.00 0.00 C ATOM 1582 O PRO A 99 -10.284 14.506 11.436 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.619 16.148 8.602 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.031 15.608 7.259 1.00 0.00 C ATOM 1585 CD PRO A 99 -9.008 14.540 6.929 1.00 0.00 C ATOM 0 HA PRO A 99 -8.303 15.154 10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.462 16.603 9.122 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.853 16.917 8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.038 15.191 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.037 16.394 6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.438 13.748 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.165 14.950 6.373 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.993 13.398 9.583 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.135 12.718 10.208 1.00 0.00 C ATOM 1595 C VAL A 100 -11.631 11.443 10.924 1.00 0.00 C ATOM 1596 O VAL A 100 -11.625 11.405 12.172 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.248 12.384 9.131 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.470 11.648 9.756 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.695 13.676 8.396 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.203 10.505 10.234 1.00 0.00 O ATOM 0 H VAL A 100 -10.870 13.159 8.599 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.595 13.375 10.946 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.806 11.702 8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.206 11.440 8.979 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.140 10.710 10.203 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.920 12.277 10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.460 13.430 7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.102 14.383 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.838 14.124 7.893 1.00 0.00 H new