USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -3.63 K(o=-7.1,f=-11!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.43 F(o=-10!,f=-7.1) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -106:sc= -4.17! (180deg=-3.36!) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.473 K(o=-4.9,f=-7.2!) USER MOD Set 2.3: A 66 GLN : amide:sc= -0.278 K(o=-4.9,f=-6.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.1!) USER MOD Single : A 14 GLN : amide:sc= -8.18! C(o=-8.2!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 23 THR OG1 : rot -108:sc= -4.56! USER MOD Single : A 25 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.71) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -5:sc= 0.654! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 71 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 75 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.089 -8.365 -10.646 1.00 0.00 N ATOM 27 CA ILE A 3 -2.316 -7.740 -9.587 1.00 0.00 C ATOM 28 C ILE A 3 -2.754 -6.282 -9.435 1.00 0.00 C ATOM 29 O ILE A 3 -3.415 -5.927 -8.460 1.00 0.00 O ATOM 30 CB ILE A 3 -0.817 -7.908 -9.847 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.263 -9.119 -9.093 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.055 -6.625 -9.510 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.380 -8.695 -7.771 1.00 0.00 C ATOM 0 HA ILE A 3 -2.508 -8.232 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.673 -8.097 -10.911 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.066 -9.830 -8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.474 -9.631 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.008 -6.771 -9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.427 -5.808 -10.128 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.202 -6.380 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.765 -9.575 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.198 -8.003 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.365 -8.205 -7.145 1.00 0.00 H new ATOM 45 N GLU A 4 -2.367 -5.476 -10.413 1.00 0.00 N ATOM 46 CA GLU A 4 -2.711 -4.064 -10.400 1.00 0.00 C ATOM 47 C GLU A 4 -4.150 -3.873 -9.917 1.00 0.00 C ATOM 48 O GLU A 4 -4.409 -3.064 -9.028 1.00 0.00 O ATOM 49 CB GLU A 4 -2.508 -3.437 -11.780 1.00 0.00 C ATOM 50 CG GLU A 4 -3.260 -2.110 -11.896 1.00 0.00 C ATOM 51 CD GLU A 4 -4.483 -2.250 -12.805 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.413 -2.933 -13.837 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.534 -1.619 -12.404 1.00 0.00 O ATOM 0 H GLU A 4 -1.818 -5.774 -11.220 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.044 -3.554 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.445 -3.273 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.856 -4.125 -12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.574 -1.778 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.594 -1.344 -12.292 1.00 0.00 H new ATOM 61 N GLU A 5 -5.050 -4.632 -10.526 1.00 0.00 N ATOM 62 CA GLU A 5 -6.457 -4.557 -10.169 1.00 0.00 C ATOM 63 C GLU A 5 -6.618 -4.529 -8.648 1.00 0.00 C ATOM 64 O GLU A 5 -7.370 -3.715 -8.115 1.00 0.00 O ATOM 65 CB GLU A 5 -7.241 -5.718 -10.783 1.00 0.00 C ATOM 66 CG GLU A 5 -8.560 -5.942 -10.041 1.00 0.00 C ATOM 67 CD GLU A 5 -9.690 -6.274 -11.018 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.619 -5.898 -12.198 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.666 -6.949 -10.513 1.00 0.00 O ATOM 0 H GLU A 5 -4.832 -5.302 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.866 -3.632 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.442 -5.510 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.640 -6.627 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.444 -6.755 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.817 -5.049 -9.472 1.00 0.00 H new ATOM 77 N ARG A 6 -5.900 -5.429 -7.993 1.00 0.00 N ATOM 78 CA ARG A 6 -5.955 -5.518 -6.543 1.00 0.00 C ATOM 79 C ARG A 6 -5.181 -4.360 -5.911 1.00 0.00 C ATOM 80 O ARG A 6 -5.601 -3.810 -4.894 1.00 0.00 O ATOM 81 CB ARG A 6 -5.369 -6.843 -6.051 1.00 0.00 C ATOM 82 CG ARG A 6 -6.455 -7.914 -5.937 1.00 0.00 C ATOM 83 CD ARG A 6 -6.072 -8.976 -4.904 1.00 0.00 C ATOM 84 NE ARG A 6 -7.165 -9.142 -3.920 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.128 -10.010 -2.886 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.049 -10.798 -2.692 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.162 -10.075 -2.068 1.00 0.00 N ATOM 0 H ARG A 6 -5.277 -6.103 -8.439 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.002 -5.464 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.593 -7.179 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.894 -6.697 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.400 -7.450 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.610 -8.385 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.873 -9.925 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.154 -8.685 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.999 -8.565 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.254 -10.740 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.029 -11.451 -1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.973 -9.475 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.150 -10.725 -1.282 1.00 0.00 H new ATOM 100 N VAL A 7 -4.064 -4.023 -6.539 1.00 0.00 N ATOM 101 CA VAL A 7 -3.228 -2.940 -6.051 1.00 0.00 C ATOM 102 C VAL A 7 -4.080 -1.681 -5.880 1.00 0.00 C ATOM 103 O VAL A 7 -4.188 -1.145 -4.778 1.00 0.00 O ATOM 104 CB VAL A 7 -2.037 -2.734 -6.990 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.214 -1.514 -6.571 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.165 -3.989 -7.053 1.00 0.00 C ATOM 0 H VAL A 7 -3.719 -4.481 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.814 -3.187 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.427 -2.547 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.374 -1.390 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.842 -0.623 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.839 -1.658 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.326 -3.816 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.788 -4.221 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.758 -4.826 -7.420 1.00 0.00 H new ATOM 116 N LYS A 8 -4.663 -1.245 -6.987 1.00 0.00 N ATOM 117 CA LYS A 8 -5.502 -0.059 -6.973 1.00 0.00 C ATOM 118 C LYS A 8 -6.505 -0.162 -5.823 1.00 0.00 C ATOM 119 O LYS A 8 -6.609 0.748 -5.001 1.00 0.00 O ATOM 120 CB LYS A 8 -6.155 0.151 -8.341 1.00 0.00 C ATOM 121 CG LYS A 8 -5.537 1.349 -9.065 1.00 0.00 C ATOM 122 CD LYS A 8 -4.310 0.927 -9.875 1.00 0.00 C ATOM 123 CE LYS A 8 -4.258 1.663 -11.215 1.00 0.00 C ATOM 124 NZ LYS A 8 -2.977 1.393 -11.906 1.00 0.00 N ATOM 0 H LYS A 8 -4.571 -1.692 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.900 0.831 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.034 -0.747 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.226 0.310 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.277 1.800 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.253 2.111 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.404 1.136 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.336 -0.149 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.091 1.346 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.371 2.735 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.368 2.234 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.500 0.588 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.162 1.167 -12.904 1.00 0.00 H new ATOM 137 N LYS A 9 -7.218 -1.278 -5.800 1.00 0.00 N ATOM 138 CA LYS A 9 -8.209 -1.512 -4.763 1.00 0.00 C ATOM 139 C LYS A 9 -7.591 -1.216 -3.396 1.00 0.00 C ATOM 140 O LYS A 9 -8.024 -0.298 -2.700 1.00 0.00 O ATOM 141 CB LYS A 9 -8.788 -2.924 -4.883 1.00 0.00 C ATOM 142 CG LYS A 9 -10.309 -2.908 -4.723 1.00 0.00 C ATOM 143 CD LYS A 9 -10.995 -2.529 -6.036 1.00 0.00 C ATOM 144 CE LYS A 9 -12.506 -2.382 -5.843 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.233 -3.374 -6.667 1.00 0.00 N ATOM 0 H LYS A 9 -7.129 -2.031 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.054 -0.834 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.525 -3.348 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.346 -3.568 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.654 -3.890 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.589 -2.198 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.580 -1.593 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.793 -3.291 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.759 -2.518 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.817 -1.374 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.257 -3.260 -6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.005 -3.225 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.949 -4.334 -6.386 1.00 0.00 H new ATOM 158 N ILE A 10 -6.587 -2.010 -3.051 1.00 0.00 N ATOM 159 CA ILE A 10 -5.905 -1.844 -1.779 1.00 0.00 C ATOM 160 C ILE A 10 -5.628 -0.357 -1.544 1.00 0.00 C ATOM 161 O ILE A 10 -6.051 0.205 -0.535 1.00 0.00 O ATOM 162 CB ILE A 10 -4.651 -2.719 -1.726 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.019 -4.204 -1.706 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.763 -2.333 -0.541 1.00 0.00 C ATOM 165 CD1 ILE A 10 -4.775 -4.812 -0.324 1.00 0.00 C ATOM 0 H ILE A 10 -6.230 -2.770 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.538 -2.184 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.073 -2.543 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.067 -4.326 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.430 -4.738 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.879 -2.970 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.458 -1.291 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.319 -2.463 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.045 -5.868 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.722 -4.710 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.384 -4.292 0.415 1.00 0.00 H new ATOM 177 N ILE A 11 -4.919 0.237 -2.492 1.00 0.00 N ATOM 178 CA ILE A 11 -4.580 1.647 -2.401 1.00 0.00 C ATOM 179 C ILE A 11 -5.854 2.458 -2.159 1.00 0.00 C ATOM 180 O ILE A 11 -5.829 3.463 -1.450 1.00 0.00 O ATOM 181 CB ILE A 11 -3.795 2.090 -3.637 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.340 1.621 -3.560 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.899 3.603 -3.839 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.975 0.764 -4.773 1.00 0.00 C ATOM 0 H ILE A 11 -4.570 -0.232 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.921 1.826 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.240 1.617 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.678 2.485 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.187 1.047 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.332 3.892 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.945 3.881 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.494 4.115 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.936 0.444 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.623 -0.112 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.106 1.348 -5.684 1.00 0.00 H new ATOM 196 N GLY A 12 -6.938 1.992 -2.761 1.00 0.00 N ATOM 197 CA GLY A 12 -8.220 2.661 -2.619 1.00 0.00 C ATOM 198 C GLY A 12 -8.779 2.482 -1.206 1.00 0.00 C ATOM 199 O GLY A 12 -9.778 3.103 -0.847 1.00 0.00 O ATOM 0 H GLY A 12 -6.955 1.158 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.106 3.723 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.926 2.260 -3.347 1.00 0.00 H new ATOM 203 N GLN A 13 -8.110 1.630 -0.443 1.00 0.00 N ATOM 204 CA GLN A 13 -8.528 1.361 0.922 1.00 0.00 C ATOM 205 C GLN A 13 -7.547 1.992 1.911 1.00 0.00 C ATOM 206 O GLN A 13 -7.939 2.409 3.000 1.00 0.00 O ATOM 207 CB GLN A 13 -8.663 -0.143 1.168 1.00 0.00 C ATOM 208 CG GLN A 13 -10.109 -0.518 1.496 1.00 0.00 C ATOM 209 CD GLN A 13 -10.236 -1.001 2.943 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.260 -1.173 3.654 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.489 -1.209 3.336 1.00 0.00 N ATOM 0 H GLN A 13 -7.281 1.117 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.509 1.810 1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.333 -0.690 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.011 -0.441 1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.757 0.344 1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.449 -1.300 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.260 -1.045 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.679 -1.532 4.285 1.00 0.00 H new ATOM 220 N GLN A 14 -6.289 2.043 1.498 1.00 0.00 N ATOM 221 CA GLN A 14 -5.248 2.616 2.334 1.00 0.00 C ATOM 222 C GLN A 14 -5.737 3.919 2.972 1.00 0.00 C ATOM 223 O GLN A 14 -5.339 4.256 4.085 1.00 0.00 O ATOM 224 CB GLN A 14 -3.965 2.846 1.533 1.00 0.00 C ATOM 225 CG GLN A 14 -3.458 1.538 0.923 1.00 0.00 C ATOM 226 CD GLN A 14 -2.186 1.772 0.105 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.807 2.892 -0.195 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.551 0.655 -0.238 1.00 0.00 N ATOM 0 H GLN A 14 -5.967 1.696 0.594 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.018 1.908 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.151 3.572 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.198 3.270 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.258 0.817 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.230 1.106 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.923 -0.251 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.692 0.704 -0.785 1.00 0.00 H new ATOM 237 N LEU A 15 -6.594 4.614 2.238 1.00 0.00 N ATOM 238 CA LEU A 15 -7.141 5.872 2.718 1.00 0.00 C ATOM 239 C LEU A 15 -8.660 5.866 2.531 1.00 0.00 C ATOM 240 O LEU A 15 -9.403 6.221 3.445 1.00 0.00 O ATOM 241 CB LEU A 15 -6.443 7.053 2.042 1.00 0.00 C ATOM 242 CG LEU A 15 -6.893 7.371 0.614 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.525 8.806 0.231 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.331 6.350 -0.378 1.00 0.00 C ATOM 0 H LEU A 15 -6.923 4.330 1.315 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.950 5.988 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.597 7.940 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.371 6.857 2.029 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.980 7.295 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.856 9.007 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.013 9.501 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.444 8.934 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.666 6.599 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.242 6.370 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.685 5.353 -0.114 1.00 0.00 H new ATOM 256 N GLY A 16 -9.076 5.460 1.340 1.00 0.00 N ATOM 257 CA GLY A 16 -10.492 5.404 1.021 1.00 0.00 C ATOM 258 C GLY A 16 -10.873 6.495 0.019 1.00 0.00 C ATOM 259 O GLY A 16 -11.393 7.542 0.403 1.00 0.00 O ATOM 0 H GLY A 16 -8.457 5.167 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.737 4.425 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.078 5.522 1.932 1.00 0.00 H new ATOM 263 N VAL A 17 -10.598 6.214 -1.246 1.00 0.00 N ATOM 264 CA VAL A 17 -10.905 7.158 -2.307 1.00 0.00 C ATOM 265 C VAL A 17 -11.464 6.401 -3.513 1.00 0.00 C ATOM 266 O VAL A 17 -11.664 5.188 -3.451 1.00 0.00 O ATOM 267 CB VAL A 17 -9.664 7.987 -2.644 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.459 9.108 -1.624 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.422 7.100 -2.741 1.00 0.00 C ATOM 0 H VAL A 17 -10.166 5.345 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.672 7.861 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.824 8.447 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.570 9.681 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.329 9.765 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.332 8.677 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.554 7.714 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.258 6.598 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.567 6.355 -3.523 1.00 0.00 H new ATOM 279 N LYS A 18 -11.701 7.147 -4.582 1.00 0.00 N ATOM 280 CA LYS A 18 -12.234 6.560 -5.800 1.00 0.00 C ATOM 281 C LYS A 18 -11.085 5.975 -6.624 1.00 0.00 C ATOM 282 O LYS A 18 -10.107 5.478 -6.066 1.00 0.00 O ATOM 283 CB LYS A 18 -13.077 7.584 -6.563 1.00 0.00 C ATOM 284 CG LYS A 18 -14.320 6.928 -7.169 1.00 0.00 C ATOM 285 CD LYS A 18 -14.654 7.540 -8.530 1.00 0.00 C ATOM 286 CE LYS A 18 -16.120 7.298 -8.895 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.228 6.268 -9.953 1.00 0.00 N ATOM 0 H LYS A 18 -11.534 8.152 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.909 5.737 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.377 8.387 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.478 8.037 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.153 5.857 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.166 7.051 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.452 8.611 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.009 7.108 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.673 6.979 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.574 8.228 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.229 6.116 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.717 6.587 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.813 5.377 -9.613 1.00 0.00 H new ATOM 300 N GLN A 19 -11.240 6.053 -7.937 1.00 0.00 N ATOM 301 CA GLN A 19 -10.228 5.537 -8.843 1.00 0.00 C ATOM 302 C GLN A 19 -9.490 6.690 -9.526 1.00 0.00 C ATOM 303 O GLN A 19 -8.262 6.690 -9.597 1.00 0.00 O ATOM 304 CB GLN A 19 -10.847 4.592 -9.875 1.00 0.00 C ATOM 305 CG GLN A 19 -10.925 3.164 -9.334 1.00 0.00 C ATOM 306 CD GLN A 19 -11.569 2.225 -10.355 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.180 2.645 -11.324 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.400 0.933 -10.086 1.00 0.00 N ATOM 0 H GLN A 19 -12.052 6.466 -8.396 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.506 4.963 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.846 4.940 -10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.253 4.606 -10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.924 2.809 -9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.502 3.153 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.877 0.649 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.793 0.227 -10.708 1.00 0.00 H new ATOM 317 N GLU A 20 -10.271 7.644 -10.013 1.00 0.00 N ATOM 318 CA GLU A 20 -9.707 8.800 -10.688 1.00 0.00 C ATOM 319 C GLU A 20 -8.726 9.527 -9.767 1.00 0.00 C ATOM 320 O GLU A 20 -7.872 10.279 -10.233 1.00 0.00 O ATOM 321 CB GLU A 20 -10.809 9.745 -11.171 1.00 0.00 C ATOM 322 CG GLU A 20 -10.694 10.000 -12.675 1.00 0.00 C ATOM 323 CD GLU A 20 -12.042 10.415 -13.266 1.00 0.00 C ATOM 324 OE1 GLU A 20 -12.581 9.714 -14.135 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.532 11.509 -12.789 1.00 0.00 O ATOM 0 H GLU A 20 -11.289 7.639 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.161 8.453 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.785 9.316 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.744 10.690 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.956 10.781 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.336 9.099 -13.174 1.00 0.00 H new ATOM 333 N GLU A 21 -8.881 9.277 -8.475 1.00 0.00 N ATOM 334 CA GLU A 21 -8.019 9.899 -7.484 1.00 0.00 C ATOM 335 C GLU A 21 -6.752 9.065 -7.284 1.00 0.00 C ATOM 336 O GLU A 21 -5.788 9.529 -6.676 1.00 0.00 O ATOM 337 CB GLU A 21 -8.760 10.095 -6.159 1.00 0.00 C ATOM 338 CG GLU A 21 -9.366 11.498 -6.073 1.00 0.00 C ATOM 339 CD GLU A 21 -10.891 11.430 -5.970 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.568 11.132 -6.965 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.371 11.699 -4.803 1.00 0.00 O ATOM 0 H GLU A 21 -9.590 8.652 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.729 10.884 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.548 9.348 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.073 9.940 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.962 12.020 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.083 12.075 -6.953 1.00 0.00 H new ATOM 349 N VAL A 22 -6.793 7.849 -7.808 1.00 0.00 N ATOM 350 CA VAL A 22 -5.660 6.946 -7.696 1.00 0.00 C ATOM 351 C VAL A 22 -5.418 6.268 -9.045 1.00 0.00 C ATOM 352 O VAL A 22 -5.193 5.060 -9.105 1.00 0.00 O ATOM 353 CB VAL A 22 -5.896 5.950 -6.559 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.692 5.022 -6.385 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.223 6.675 -5.252 1.00 0.00 C ATOM 0 H VAL A 22 -7.594 7.468 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.755 7.498 -7.444 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.757 5.337 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.885 4.324 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.525 4.466 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.807 5.614 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.386 5.943 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.392 7.325 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.124 7.274 -5.384 1.00 0.00 H new ATOM 365 N THR A 23 -5.473 7.074 -10.095 1.00 0.00 N ATOM 366 CA THR A 23 -5.262 6.566 -11.440 1.00 0.00 C ATOM 367 C THR A 23 -3.983 5.730 -11.501 1.00 0.00 C ATOM 368 O THR A 23 -3.326 5.520 -10.482 1.00 0.00 O ATOM 369 CB THR A 23 -5.255 7.758 -12.400 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.173 8.565 -11.942 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.484 8.653 -12.232 1.00 0.00 C ATOM 0 H THR A 23 -5.661 8.075 -10.042 1.00 0.00 H new ATOM 0 HA THR A 23 -6.066 5.894 -11.739 1.00 0.00 H new ATOM 0 HB THR A 23 -5.207 7.397 -13.427 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.526 9.372 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.429 9.483 -12.937 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.386 8.072 -12.425 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.514 9.042 -11.214 1.00 0.00 H new ATOM 379 N ASN A 24 -3.668 5.274 -12.704 1.00 0.00 N ATOM 380 CA ASN A 24 -2.479 4.464 -12.910 1.00 0.00 C ATOM 381 C ASN A 24 -1.236 5.311 -12.627 1.00 0.00 C ATOM 382 O ASN A 24 -0.438 4.975 -11.754 1.00 0.00 O ATOM 383 CB ASN A 24 -2.395 3.968 -14.355 1.00 0.00 C ATOM 384 CG ASN A 24 -3.484 2.933 -14.644 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.591 3.000 -14.135 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.110 1.976 -15.488 1.00 0.00 N ATOM 0 H ASN A 24 -4.215 5.450 -13.547 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.532 3.608 -12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.498 4.810 -15.039 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.414 3.529 -14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.766 1.238 -15.746 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.167 1.980 -15.878 1.00 0.00 H new ATOM 393 N ASN A 25 -1.111 6.392 -13.383 1.00 0.00 N ATOM 394 CA ASN A 25 0.021 7.288 -13.225 1.00 0.00 C ATOM 395 C ASN A 25 -0.355 8.413 -12.258 1.00 0.00 C ATOM 396 O ASN A 25 0.063 9.556 -12.436 1.00 0.00 O ATOM 397 CB ASN A 25 0.412 7.924 -14.560 1.00 0.00 C ATOM 398 CG ASN A 25 1.920 7.821 -14.797 1.00 0.00 C ATOM 399 OD1 ASN A 25 2.557 6.828 -14.484 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.453 8.898 -15.366 1.00 0.00 N ATOM 0 H ASN A 25 -1.775 6.667 -14.107 1.00 0.00 H new ATOM 0 HA ASN A 25 0.860 6.706 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.122 7.430 -15.372 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.110 8.971 -14.570 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.453 8.927 -15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.862 9.695 -15.602 1.00 0.00 H new ATOM 407 N ALA A 26 -1.141 8.049 -11.255 1.00 0.00 N ATOM 408 CA ALA A 26 -1.579 9.013 -10.260 1.00 0.00 C ATOM 409 C ALA A 26 -0.427 9.303 -9.296 1.00 0.00 C ATOM 410 O ALA A 26 0.413 8.439 -9.050 1.00 0.00 O ATOM 411 CB ALA A 26 -2.820 8.478 -9.542 1.00 0.00 C ATOM 0 H ALA A 26 -1.486 7.100 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.857 9.954 -10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.149 9.201 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.618 8.316 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.578 7.535 -9.052 1.00 0.00 H new ATOM 417 N SER A 27 -0.426 10.522 -8.776 1.00 0.00 N ATOM 418 CA SER A 27 0.609 10.936 -7.844 1.00 0.00 C ATOM 419 C SER A 27 0.111 10.781 -6.406 1.00 0.00 C ATOM 420 O SER A 27 -0.920 10.155 -6.166 1.00 0.00 O ATOM 421 CB SER A 27 1.038 12.382 -8.104 1.00 0.00 C ATOM 422 OG SER A 27 2.336 12.458 -8.687 1.00 0.00 O ATOM 0 H SER A 27 -1.125 11.236 -8.982 1.00 0.00 H new ATOM 0 HA SER A 27 1.478 10.295 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.315 12.861 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.029 12.937 -7.166 1.00 0.00 H new ATOM 0 HG SER A 27 2.572 13.397 -8.839 1.00 0.00 H new ATOM 428 N PHE A 28 0.867 11.362 -5.486 1.00 0.00 N ATOM 429 CA PHE A 28 0.515 11.297 -4.078 1.00 0.00 C ATOM 430 C PHE A 28 0.497 12.692 -3.451 1.00 0.00 C ATOM 431 O PHE A 28 -0.552 13.330 -3.378 1.00 0.00 O ATOM 432 CB PHE A 28 1.590 10.455 -3.387 1.00 0.00 C ATOM 433 CG PHE A 28 1.194 8.992 -3.174 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.638 8.283 -4.193 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.396 8.401 -1.966 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.270 6.926 -3.996 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.028 7.044 -1.769 1.00 0.00 C ATOM 438 CZ PHE A 28 0.473 6.335 -2.788 1.00 0.00 C ATOM 0 H PHE A 28 1.722 11.880 -5.688 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.479 10.864 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.503 10.491 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.822 10.902 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.476 8.752 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.836 8.964 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.171 6.363 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.189 6.575 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.193 5.303 -2.638 1.00 0.00 H new ATOM 448 N VAL A 29 1.671 13.126 -3.015 1.00 0.00 N ATOM 449 CA VAL A 29 1.803 14.434 -2.398 1.00 0.00 C ATOM 450 C VAL A 29 1.231 15.497 -3.337 1.00 0.00 C ATOM 451 O VAL A 29 0.857 16.583 -2.897 1.00 0.00 O ATOM 452 CB VAL A 29 3.265 14.691 -2.024 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.569 16.191 -2.000 1.00 0.00 C ATOM 454 CG2 VAL A 29 3.610 14.040 -0.683 1.00 0.00 C ATOM 0 H VAL A 29 2.539 12.594 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 29 1.231 14.478 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 29 3.892 14.234 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.614 16.346 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.381 16.616 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.929 16.680 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.654 14.238 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.972 14.454 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.450 12.964 -0.749 1.00 0.00 H new ATOM 464 N GLU A 30 1.180 15.147 -4.614 1.00 0.00 N ATOM 465 CA GLU A 30 0.659 16.058 -5.620 1.00 0.00 C ATOM 466 C GLU A 30 -0.807 15.738 -5.917 1.00 0.00 C ATOM 467 O GLU A 30 -1.533 16.575 -6.452 1.00 0.00 O ATOM 468 CB GLU A 30 1.502 16.006 -6.896 1.00 0.00 C ATOM 469 CG GLU A 30 2.299 17.299 -7.079 1.00 0.00 C ATOM 470 CD GLU A 30 2.407 17.671 -8.560 1.00 0.00 C ATOM 471 OE1 GLU A 30 2.098 16.844 -9.431 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.828 18.868 -8.792 1.00 0.00 O ATOM 0 H GLU A 30 1.491 14.245 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 30 0.716 17.073 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.184 15.157 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.854 15.849 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.817 18.109 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.297 17.178 -6.657 1.00 0.00 H new ATOM 480 N ASP A 31 -1.199 14.524 -5.558 1.00 0.00 N ATOM 481 CA ASP A 31 -2.565 14.083 -5.781 1.00 0.00 C ATOM 482 C ASP A 31 -3.284 13.967 -4.435 1.00 0.00 C ATOM 483 O ASP A 31 -4.038 14.860 -4.051 1.00 0.00 O ATOM 484 CB ASP A 31 -2.598 12.710 -6.454 1.00 0.00 C ATOM 485 CG ASP A 31 -3.977 12.048 -6.507 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.836 12.293 -5.648 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.156 11.240 -7.497 1.00 0.00 O ATOM 0 H ASP A 31 -0.594 13.833 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.054 14.812 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.221 12.812 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.913 12.047 -5.926 1.00 0.00 H new ATOM 493 N LEU A 32 -3.026 12.859 -3.756 1.00 0.00 N ATOM 494 CA LEU A 32 -3.639 12.614 -2.461 1.00 0.00 C ATOM 495 C LEU A 32 -2.747 13.194 -1.362 1.00 0.00 C ATOM 496 O LEU A 32 -2.709 12.672 -0.249 1.00 0.00 O ATOM 497 CB LEU A 32 -3.943 11.125 -2.285 1.00 0.00 C ATOM 498 CG LEU A 32 -5.263 10.635 -2.884 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.308 9.106 -2.933 1.00 0.00 C ATOM 500 CD2 LEU A 32 -6.458 11.220 -2.128 1.00 0.00 C ATOM 0 H LEU A 32 -2.401 12.120 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.601 13.122 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.130 10.553 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.944 10.898 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.326 10.992 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.256 8.783 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.487 8.737 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.213 8.707 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.384 10.856 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.413 10.913 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.429 12.308 -2.188 1.00 0.00 H new ATOM 512 N GLY A 33 -2.051 14.266 -1.712 1.00 0.00 N ATOM 513 CA GLY A 33 -1.162 14.923 -0.769 1.00 0.00 C ATOM 514 C GLY A 33 -0.442 13.898 0.110 1.00 0.00 C ATOM 515 O GLY A 33 -0.074 14.197 1.245 1.00 0.00 O ATOM 0 H GLY A 33 -2.085 14.696 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.430 15.522 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.733 15.608 -0.142 1.00 0.00 H new ATOM 519 N ALA A 34 -0.261 12.710 -0.449 1.00 0.00 N ATOM 520 CA ALA A 34 0.409 11.639 0.269 1.00 0.00 C ATOM 521 C ALA A 34 0.062 11.734 1.756 1.00 0.00 C ATOM 522 O ALA A 34 0.812 12.319 2.536 1.00 0.00 O ATOM 523 CB ALA A 34 1.916 11.719 0.015 1.00 0.00 C ATOM 0 H ALA A 34 -0.567 12.466 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 34 0.070 10.666 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.419 10.916 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.111 11.618 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.293 12.681 0.363 1.00 0.00 H new ATOM 529 N ASP A 35 -1.074 11.148 2.105 1.00 0.00 N ATOM 530 CA ASP A 35 -1.529 11.159 3.485 1.00 0.00 C ATOM 531 C ASP A 35 -0.672 10.195 4.307 1.00 0.00 C ATOM 532 O ASP A 35 -0.096 9.253 3.765 1.00 0.00 O ATOM 533 CB ASP A 35 -2.986 10.702 3.588 1.00 0.00 C ATOM 534 CG ASP A 35 -3.737 11.213 4.819 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.180 11.282 5.925 1.00 0.00 O ATOM 536 OD2 ASP A 35 -4.964 11.553 4.607 1.00 0.00 O ATOM 0 H ASP A 35 -1.693 10.662 1.456 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.443 12.179 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.518 11.029 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.010 9.612 3.592 1.00 0.00 H new ATOM 542 N SER A 36 -0.614 10.463 5.604 1.00 0.00 N ATOM 543 CA SER A 36 0.163 9.631 6.506 1.00 0.00 C ATOM 544 C SER A 36 -0.342 8.187 6.452 1.00 0.00 C ATOM 545 O SER A 36 0.397 7.282 6.070 1.00 0.00 O ATOM 546 CB SER A 36 0.097 10.163 7.940 1.00 0.00 C ATOM 547 OG SER A 36 1.354 10.673 8.377 1.00 0.00 O ATOM 0 H SER A 36 -1.093 11.245 6.051 1.00 0.00 H new ATOM 0 HA SER A 36 1.204 9.657 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.655 10.950 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.223 9.364 8.609 1.00 0.00 H new ATOM 0 HG SER A 36 1.271 11.005 9.295 1.00 0.00 H new ATOM 553 N LEU A 37 -1.597 8.018 6.841 1.00 0.00 N ATOM 554 CA LEU A 37 -2.209 6.700 6.842 1.00 0.00 C ATOM 555 C LEU A 37 -1.888 5.993 5.524 1.00 0.00 C ATOM 556 O LEU A 37 -1.802 4.767 5.478 1.00 0.00 O ATOM 557 CB LEU A 37 -3.707 6.805 7.134 1.00 0.00 C ATOM 558 CG LEU A 37 -4.388 8.102 6.692 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.705 7.812 5.970 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.580 9.052 7.876 1.00 0.00 C ATOM 0 H LEU A 37 -2.207 8.772 7.158 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.794 6.088 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.211 5.970 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.857 6.687 8.207 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.734 8.605 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.168 8.751 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.510 7.202 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.377 7.276 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.066 9.966 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.202 8.571 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.609 9.297 8.307 1.00 0.00 H new ATOM 572 N ASP A 38 -1.719 6.796 4.484 1.00 0.00 N ATOM 573 CA ASP A 38 -1.409 6.262 3.168 1.00 0.00 C ATOM 574 C ASP A 38 -0.002 5.660 3.185 1.00 0.00 C ATOM 575 O ASP A 38 0.174 4.479 2.893 1.00 0.00 O ATOM 576 CB ASP A 38 -1.438 7.363 2.106 1.00 0.00 C ATOM 577 CG ASP A 38 -2.014 6.941 0.753 1.00 0.00 C ATOM 578 OD1 ASP A 38 -1.274 6.558 -0.165 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.299 7.018 0.659 1.00 0.00 O ATOM 0 H ASP A 38 -1.791 7.813 4.526 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.157 5.507 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.023 8.200 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.422 7.727 1.954 1.00 0.00 H new ATOM 585 N THR A 39 0.962 6.500 3.532 1.00 0.00 N ATOM 586 CA THR A 39 2.347 6.065 3.591 1.00 0.00 C ATOM 587 C THR A 39 2.490 4.865 4.529 1.00 0.00 C ATOM 588 O THR A 39 3.285 3.962 4.272 1.00 0.00 O ATOM 589 CB THR A 39 3.202 7.265 4.004 1.00 0.00 C ATOM 590 OG1 THR A 39 3.139 8.139 2.881 1.00 0.00 O ATOM 591 CG2 THR A 39 4.687 6.914 4.119 1.00 0.00 C ATOM 0 H THR A 39 0.811 7.479 3.775 1.00 0.00 H new ATOM 0 HA THR A 39 2.695 5.719 2.618 1.00 0.00 H new ATOM 0 HB THR A 39 2.845 7.653 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.666 8.945 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.249 7.800 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.819 6.134 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.052 6.558 3.156 1.00 0.00 H new ATOM 599 N VAL A 40 1.708 4.894 5.598 1.00 0.00 N ATOM 600 CA VAL A 40 1.737 3.821 6.577 1.00 0.00 C ATOM 601 C VAL A 40 0.968 2.616 6.029 1.00 0.00 C ATOM 602 O VAL A 40 1.429 1.481 6.136 1.00 0.00 O ATOM 603 CB VAL A 40 1.192 4.318 7.917 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.191 3.198 8.959 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.982 5.530 8.414 1.00 0.00 C ATOM 0 H VAL A 40 1.050 5.644 5.808 1.00 0.00 H new ATOM 0 HA VAL A 40 2.762 3.498 6.759 1.00 0.00 H new ATOM 0 HB VAL A 40 0.159 4.631 7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.799 3.579 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.564 2.377 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.209 2.839 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.574 5.864 9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.029 5.254 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.907 6.337 7.685 1.00 0.00 H new ATOM 615 N GLU A 41 -0.189 2.906 5.453 1.00 0.00 N ATOM 616 CA GLU A 41 -1.026 1.861 4.888 1.00 0.00 C ATOM 617 C GLU A 41 -0.276 1.123 3.778 1.00 0.00 C ATOM 618 O GLU A 41 -0.581 -0.031 3.479 1.00 0.00 O ATOM 619 CB GLU A 41 -2.346 2.435 4.370 1.00 0.00 C ATOM 620 CG GLU A 41 -3.334 2.658 5.517 1.00 0.00 C ATOM 621 CD GLU A 41 -4.511 1.685 5.424 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.667 2.088 5.623 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.192 0.469 5.132 1.00 0.00 O ATOM 0 H GLU A 41 -0.567 3.849 5.365 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.263 1.147 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.160 3.378 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.781 1.754 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.824 2.527 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.702 3.684 5.490 1.00 0.00 H new ATOM 631 N LEU A 42 0.690 1.818 3.196 1.00 0.00 N ATOM 632 CA LEU A 42 1.486 1.243 2.125 1.00 0.00 C ATOM 633 C LEU A 42 2.415 0.174 2.704 1.00 0.00 C ATOM 634 O LEU A 42 2.657 -0.852 2.070 1.00 0.00 O ATOM 635 CB LEU A 42 2.218 2.342 1.353 1.00 0.00 C ATOM 636 CG LEU A 42 2.083 2.295 -0.171 1.00 0.00 C ATOM 637 CD1 LEU A 42 0.926 3.176 -0.646 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.403 2.666 -0.850 1.00 0.00 C ATOM 0 H LEU A 42 0.940 2.775 3.446 1.00 0.00 H new ATOM 0 HA LEU A 42 0.844 0.747 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.852 3.308 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.277 2.292 1.606 1.00 0.00 H new ATOM 0 HG LEU A 42 1.848 1.271 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.852 3.125 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.005 2.824 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.106 4.207 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.280 2.625 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.692 3.675 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.179 1.963 -0.546 1.00 0.00 H new ATOM 650 N VAL A 43 2.911 0.451 3.901 1.00 0.00 N ATOM 651 CA VAL A 43 3.808 -0.474 4.572 1.00 0.00 C ATOM 652 C VAL A 43 3.012 -1.684 5.064 1.00 0.00 C ATOM 653 O VAL A 43 3.558 -2.777 5.201 1.00 0.00 O ATOM 654 CB VAL A 43 4.557 0.246 5.695 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.850 -0.491 6.051 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.841 1.702 5.320 1.00 0.00 C ATOM 0 H VAL A 43 2.708 1.303 4.424 1.00 0.00 H new ATOM 0 HA VAL A 43 4.564 -0.843 3.879 1.00 0.00 H new ATOM 0 HB VAL A 43 3.917 0.247 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.364 0.041 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.613 -1.502 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.496 -0.537 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.374 2.190 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.452 1.733 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.900 2.221 5.139 1.00 0.00 H new ATOM 666 N MET A 44 1.733 -1.447 5.316 1.00 0.00 N ATOM 667 CA MET A 44 0.855 -2.504 5.789 1.00 0.00 C ATOM 668 C MET A 44 0.215 -3.252 4.618 1.00 0.00 C ATOM 669 O MET A 44 0.185 -4.482 4.603 1.00 0.00 O ATOM 670 CB MET A 44 -0.241 -1.902 6.671 1.00 0.00 C ATOM 671 CG MET A 44 0.341 -1.373 7.984 1.00 0.00 C ATOM 672 SD MET A 44 -0.979 -0.887 9.083 1.00 0.00 S ATOM 673 CE MET A 44 -0.043 -0.576 10.571 1.00 0.00 C ATOM 0 H MET A 44 1.284 -0.539 5.202 1.00 0.00 H new ATOM 0 HA MET A 44 1.450 -3.212 6.366 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.739 -1.092 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.998 -2.657 6.883 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.954 -2.141 8.456 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.993 -0.522 7.786 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.718 -0.260 11.366 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.473 -1.487 10.874 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.689 0.210 10.383 1.00 0.00 H new ATOM 683 N ALA A 45 -0.281 -2.478 3.664 1.00 0.00 N ATOM 684 CA ALA A 45 -0.919 -3.052 2.491 1.00 0.00 C ATOM 685 C ALA A 45 0.064 -3.990 1.789 1.00 0.00 C ATOM 686 O ALA A 45 -0.286 -5.117 1.443 1.00 0.00 O ATOM 687 CB ALA A 45 -1.409 -1.928 1.575 1.00 0.00 C ATOM 0 H ALA A 45 -0.254 -1.458 3.679 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.790 -3.642 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.888 -2.358 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.127 -1.308 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.562 -1.316 1.265 1.00 0.00 H new ATOM 693 N LEU A 46 1.276 -3.489 1.598 1.00 0.00 N ATOM 694 CA LEU A 46 2.313 -4.269 0.943 1.00 0.00 C ATOM 695 C LEU A 46 2.715 -5.436 1.846 1.00 0.00 C ATOM 696 O LEU A 46 3.211 -6.454 1.366 1.00 0.00 O ATOM 697 CB LEU A 46 3.484 -3.371 0.540 1.00 0.00 C ATOM 698 CG LEU A 46 3.238 -2.439 -0.649 1.00 0.00 C ATOM 699 CD1 LEU A 46 3.846 -1.058 -0.398 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.749 -3.063 -1.949 1.00 0.00 C ATOM 0 H LEU A 46 1.563 -2.553 1.885 1.00 0.00 H new ATOM 0 HA LEU A 46 1.937 -4.699 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.763 -2.763 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.339 -4.006 0.308 1.00 0.00 H new ATOM 0 HG LEU A 46 2.162 -2.302 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.657 -0.415 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.394 -0.617 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.921 -1.156 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.562 -2.381 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.820 -3.249 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.230 -4.004 -2.130 1.00 0.00 H new ATOM 712 N GLU A 47 2.487 -5.249 3.138 1.00 0.00 N ATOM 713 CA GLU A 47 2.819 -6.274 4.112 1.00 0.00 C ATOM 714 C GLU A 47 1.768 -7.386 4.092 1.00 0.00 C ATOM 715 O GLU A 47 2.109 -8.566 4.020 1.00 0.00 O ATOM 716 CB GLU A 47 2.956 -5.675 5.513 1.00 0.00 C ATOM 717 CG GLU A 47 4.423 -5.614 5.942 1.00 0.00 C ATOM 718 CD GLU A 47 4.579 -5.988 7.418 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.708 -5.098 8.272 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.562 -7.253 7.665 1.00 0.00 O ATOM 0 H GLU A 47 2.076 -4.403 3.532 1.00 0.00 H new ATOM 0 HA GLU A 47 3.782 -6.706 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.527 -4.673 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.390 -6.274 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.014 -6.293 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.813 -4.610 5.774 1.00 0.00 H new ATOM 728 N GLU A 48 0.512 -6.971 4.158 1.00 0.00 N ATOM 729 CA GLU A 48 -0.591 -7.917 4.148 1.00 0.00 C ATOM 730 C GLU A 48 -0.693 -8.600 2.783 1.00 0.00 C ATOM 731 O GLU A 48 -1.365 -9.620 2.643 1.00 0.00 O ATOM 732 CB GLU A 48 -1.907 -7.230 4.517 1.00 0.00 C ATOM 733 CG GLU A 48 -2.780 -8.143 5.380 1.00 0.00 C ATOM 734 CD GLU A 48 -4.179 -8.291 4.779 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.367 -8.048 3.578 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.091 -8.674 5.608 1.00 0.00 O ATOM 0 H GLU A 48 0.233 -5.992 4.219 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.395 -8.681 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.700 -6.305 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.446 -6.957 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.312 -9.124 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.854 -7.735 6.388 1.00 0.00 H new ATOM 744 N GLU A 49 -0.015 -8.009 1.810 1.00 0.00 N ATOM 745 CA GLU A 49 -0.020 -8.547 0.460 1.00 0.00 C ATOM 746 C GLU A 49 0.881 -9.780 0.377 1.00 0.00 C ATOM 747 O GLU A 49 0.393 -10.906 0.290 1.00 0.00 O ATOM 748 CB GLU A 49 0.407 -7.486 -0.555 1.00 0.00 C ATOM 749 CG GLU A 49 -0.264 -7.721 -1.910 1.00 0.00 C ATOM 750 CD GLU A 49 -1.336 -6.663 -2.182 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.006 -5.484 -2.383 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.548 -7.102 -2.180 1.00 0.00 O ATOM 0 H GLU A 49 0.542 -7.163 1.930 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.038 -8.848 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.145 -6.496 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.490 -7.506 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.486 -7.696 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.714 -8.713 -1.930 1.00 0.00 H new ATOM 760 N PHE A 50 2.181 -9.527 0.405 1.00 0.00 N ATOM 761 CA PHE A 50 3.155 -10.603 0.334 1.00 0.00 C ATOM 762 C PHE A 50 4.239 -10.433 1.401 1.00 0.00 C ATOM 763 O PHE A 50 5.290 -11.068 1.331 1.00 0.00 O ATOM 764 CB PHE A 50 3.803 -10.528 -1.050 1.00 0.00 C ATOM 765 CG PHE A 50 4.032 -9.102 -1.554 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.005 -8.404 -2.109 1.00 0.00 C ATOM 767 CD2 PHE A 50 5.262 -8.532 -1.447 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.217 -7.080 -2.577 1.00 0.00 C ATOM 769 CE2 PHE A 50 5.474 -7.208 -1.915 1.00 0.00 C ATOM 770 CZ PHE A 50 4.447 -6.510 -2.470 1.00 0.00 C ATOM 0 H PHE A 50 2.583 -8.592 0.476 1.00 0.00 H new ATOM 0 HA PHE A 50 2.664 -11.561 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.760 -11.050 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.173 -11.058 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.028 -8.857 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.078 -9.086 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.401 -6.526 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.451 -6.755 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.608 -5.503 -2.826 1.00 0.00 H new ATOM 780 N ASP A 51 3.945 -9.573 2.365 1.00 0.00 N ATOM 781 CA ASP A 51 4.881 -9.311 3.446 1.00 0.00 C ATOM 782 C ASP A 51 6.216 -8.851 2.858 1.00 0.00 C ATOM 783 O ASP A 51 7.153 -9.639 2.743 1.00 0.00 O ATOM 784 CB ASP A 51 5.138 -10.575 4.269 1.00 0.00 C ATOM 785 CG ASP A 51 6.374 -10.520 5.170 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.590 -9.539 5.898 1.00 0.00 O ATOM 787 OD2 ASP A 51 7.143 -11.553 5.103 1.00 0.00 O ATOM 0 H ASP A 51 3.072 -9.048 2.420 1.00 0.00 H new ATOM 0 HA ASP A 51 4.449 -8.543 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.263 -10.771 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.241 -11.419 3.588 1.00 0.00 H new ATOM 793 N THR A 52 6.260 -7.575 2.500 1.00 0.00 N ATOM 794 CA THR A 52 7.465 -7.000 1.927 1.00 0.00 C ATOM 795 C THR A 52 7.915 -5.785 2.741 1.00 0.00 C ATOM 796 O THR A 52 9.004 -5.255 2.522 1.00 0.00 O ATOM 797 CB THR A 52 7.183 -6.677 0.459 1.00 0.00 C ATOM 798 OG1 THR A 52 8.331 -5.948 0.036 1.00 0.00 O ATOM 799 CG2 THR A 52 6.029 -5.687 0.288 1.00 0.00 C ATOM 0 H THR A 52 5.481 -6.924 2.596 1.00 0.00 H new ATOM 0 HA THR A 52 8.296 -7.704 1.966 1.00 0.00 H new ATOM 0 HB THR A 52 6.953 -7.598 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.917 -5.786 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.871 -5.492 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.121 -6.109 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.272 -4.754 0.796 1.00 0.00 H new ATOM 807 N GLU A 53 7.055 -5.379 3.663 1.00 0.00 N ATOM 808 CA GLU A 53 7.350 -4.236 4.510 1.00 0.00 C ATOM 809 C GLU A 53 8.119 -3.174 3.721 1.00 0.00 C ATOM 810 O GLU A 53 9.349 -3.179 3.702 1.00 0.00 O ATOM 811 CB GLU A 53 8.129 -4.664 5.756 1.00 0.00 C ATOM 812 CG GLU A 53 9.264 -5.624 5.391 1.00 0.00 C ATOM 813 CD GLU A 53 9.998 -6.107 6.643 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.735 -7.218 7.126 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.870 -5.282 7.115 1.00 0.00 O ATOM 0 H GLU A 53 6.153 -5.821 3.842 1.00 0.00 H new ATOM 0 HA GLU A 53 6.407 -3.802 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.538 -3.785 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.454 -5.146 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.861 -6.479 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.966 -5.125 4.723 1.00 0.00 H new ATOM 823 N ILE A 54 7.362 -2.290 3.089 1.00 0.00 N ATOM 824 CA ILE A 54 7.956 -1.224 2.300 1.00 0.00 C ATOM 825 C ILE A 54 8.582 -0.190 3.237 1.00 0.00 C ATOM 826 O ILE A 54 7.912 0.334 4.125 1.00 0.00 O ATOM 827 CB ILE A 54 6.927 -0.635 1.333 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.537 -0.420 -0.054 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.318 0.650 1.897 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.317 0.895 -0.111 1.00 0.00 C ATOM 0 H ILE A 54 6.342 -2.290 3.107 1.00 0.00 H new ATOM 0 HA ILE A 54 8.759 -1.615 1.675 1.00 0.00 H new ATOM 0 HB ILE A 54 6.115 -1.353 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.199 -1.251 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.747 -0.412 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.590 1.048 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.824 0.433 2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.106 1.385 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.740 1.024 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.646 1.726 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.121 0.873 0.625 1.00 0.00 H new ATOM 842 N PRO A 55 9.894 0.081 3.001 1.00 0.00 N ATOM 843 CA PRO A 55 10.618 1.043 3.814 1.00 0.00 C ATOM 844 C PRO A 55 10.222 2.476 3.451 1.00 0.00 C ATOM 845 O PRO A 55 9.219 2.693 2.772 1.00 0.00 O ATOM 846 CB PRO A 55 12.087 0.750 3.556 1.00 0.00 C ATOM 847 CG PRO A 55 12.132 -0.049 2.264 1.00 0.00 C ATOM 848 CD PRO A 55 10.720 -0.521 1.958 1.00 0.00 C ATOM 0 HA PRO A 55 10.388 0.954 4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.659 1.673 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.523 0.185 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.514 0.565 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.805 -0.900 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.401 -0.200 0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.653 -1.609 1.978 1.00 0.00 H new ATOM 856 N ASP A 56 11.030 3.416 3.918 1.00 0.00 N ATOM 857 CA ASP A 56 10.776 4.821 3.651 1.00 0.00 C ATOM 858 C ASP A 56 11.614 5.267 2.451 1.00 0.00 C ATOM 859 O ASP A 56 11.361 6.321 1.870 1.00 0.00 O ATOM 860 CB ASP A 56 11.167 5.689 4.849 1.00 0.00 C ATOM 861 CG ASP A 56 10.079 6.650 5.334 1.00 0.00 C ATOM 862 OD1 ASP A 56 10.263 7.876 5.331 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.990 6.084 5.732 1.00 0.00 O ATOM 0 H ASP A 56 11.861 3.232 4.480 1.00 0.00 H new ATOM 0 HA ASP A 56 9.711 4.939 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.449 5.036 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.052 6.269 4.585 1.00 0.00 H new ATOM 869 N GLU A 57 12.595 4.442 2.116 1.00 0.00 N ATOM 870 CA GLU A 57 13.472 4.738 0.995 1.00 0.00 C ATOM 871 C GLU A 57 12.822 4.297 -0.318 1.00 0.00 C ATOM 872 O GLU A 57 12.555 5.122 -1.191 1.00 0.00 O ATOM 873 CB GLU A 57 14.839 4.078 1.180 1.00 0.00 C ATOM 874 CG GLU A 57 15.941 5.129 1.321 1.00 0.00 C ATOM 875 CD GLU A 57 17.187 4.533 1.980 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.557 3.388 1.683 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.778 5.306 2.827 1.00 0.00 O ATOM 0 H GLU A 57 12.802 3.569 2.601 1.00 0.00 H new ATOM 0 HA GLU A 57 13.629 5.816 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.823 3.442 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.054 3.433 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.199 5.525 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.576 5.966 1.916 1.00 0.00 H new ATOM 885 N GLU A 58 12.587 2.997 -0.417 1.00 0.00 N ATOM 886 CA GLU A 58 11.974 2.436 -1.609 1.00 0.00 C ATOM 887 C GLU A 58 10.616 3.093 -1.867 1.00 0.00 C ATOM 888 O GLU A 58 10.172 3.180 -3.011 1.00 0.00 O ATOM 889 CB GLU A 58 11.835 0.917 -1.491 1.00 0.00 C ATOM 890 CG GLU A 58 12.880 0.202 -2.349 1.00 0.00 C ATOM 891 CD GLU A 58 12.581 0.379 -3.839 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.427 0.218 -4.263 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.598 0.696 -4.566 1.00 0.00 O ATOM 0 H GLU A 58 12.810 2.316 0.309 1.00 0.00 H new ATOM 0 HA GLU A 58 12.623 2.643 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.949 0.618 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.835 0.615 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.871 0.596 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.895 -0.859 -2.101 1.00 0.00 H new ATOM 901 N ALA A 59 9.995 3.538 -0.785 1.00 0.00 N ATOM 902 CA ALA A 59 8.697 4.184 -0.879 1.00 0.00 C ATOM 903 C ALA A 59 8.770 5.317 -1.905 1.00 0.00 C ATOM 904 O ALA A 59 7.823 5.539 -2.659 1.00 0.00 O ATOM 905 CB ALA A 59 8.270 4.677 0.505 1.00 0.00 C ATOM 0 H ALA A 59 10.367 3.464 0.162 1.00 0.00 H new ATOM 0 HA ALA A 59 7.940 3.478 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.296 5.162 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.205 3.831 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.004 5.391 0.879 1.00 0.00 H new ATOM 911 N GLU A 60 9.903 6.004 -1.901 1.00 0.00 N ATOM 912 CA GLU A 60 10.111 7.109 -2.821 1.00 0.00 C ATOM 913 C GLU A 60 9.985 6.626 -4.267 1.00 0.00 C ATOM 914 O GLU A 60 9.837 7.432 -5.185 1.00 0.00 O ATOM 915 CB GLU A 60 11.468 7.774 -2.582 1.00 0.00 C ATOM 916 CG GLU A 60 12.581 7.033 -3.326 1.00 0.00 C ATOM 917 CD GLU A 60 13.956 7.408 -2.770 1.00 0.00 C ATOM 918 OE1 GLU A 60 14.085 7.688 -1.569 1.00 0.00 O ATOM 919 OE2 GLU A 60 14.914 7.401 -3.635 1.00 0.00 O ATOM 0 H GLU A 60 10.686 5.817 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 60 9.340 7.857 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.432 8.812 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.687 7.789 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.430 5.957 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.536 7.274 -4.388 1.00 0.00 H new ATOM 927 N LYS A 61 10.049 5.312 -4.426 1.00 0.00 N ATOM 928 CA LYS A 61 9.944 4.712 -5.745 1.00 0.00 C ATOM 929 C LYS A 61 8.518 4.196 -5.954 1.00 0.00 C ATOM 930 O LYS A 61 8.117 3.909 -7.081 1.00 0.00 O ATOM 931 CB LYS A 61 11.019 3.640 -5.933 1.00 0.00 C ATOM 932 CG LYS A 61 10.690 2.736 -7.123 1.00 0.00 C ATOM 933 CD LYS A 61 11.963 2.314 -7.860 1.00 0.00 C ATOM 934 CE LYS A 61 11.876 2.661 -9.347 1.00 0.00 C ATOM 935 NZ LYS A 61 13.106 2.233 -10.051 1.00 0.00 N ATOM 0 H LYS A 61 10.172 4.646 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 61 10.131 5.457 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.988 4.115 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.101 3.039 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.157 1.851 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.025 3.260 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.826 2.811 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.117 1.242 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.008 2.174 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.735 3.735 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.031 2.476 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.929 2.718 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.224 1.205 -9.950 1.00 0.00 H new ATOM 948 N ILE A 62 7.792 4.095 -4.851 1.00 0.00 N ATOM 949 CA ILE A 62 6.420 3.620 -4.899 1.00 0.00 C ATOM 950 C ILE A 62 5.471 4.783 -4.606 1.00 0.00 C ATOM 951 O ILE A 62 4.304 4.570 -4.279 1.00 0.00 O ATOM 952 CB ILE A 62 6.234 2.424 -3.963 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.564 1.707 -3.718 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.159 1.473 -4.494 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.310 1.473 -5.033 1.00 0.00 C ATOM 0 H ILE A 62 8.128 4.334 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 62 6.178 3.255 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 62 5.886 2.796 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.183 2.301 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.381 0.753 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.047 0.632 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.211 2.004 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.453 1.105 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.252 0.962 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.698 0.859 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.512 2.431 -5.512 1.00 0.00 H new ATOM 967 N THR A 63 6.006 5.988 -4.734 1.00 0.00 N ATOM 968 CA THR A 63 5.221 7.186 -4.487 1.00 0.00 C ATOM 969 C THR A 63 3.905 7.131 -5.264 1.00 0.00 C ATOM 970 O THR A 63 2.828 7.150 -4.670 1.00 0.00 O ATOM 971 CB THR A 63 6.085 8.398 -4.840 1.00 0.00 C ATOM 972 OG1 THR A 63 6.568 8.111 -6.150 1.00 0.00 O ATOM 973 CG2 THR A 63 7.352 8.484 -3.986 1.00 0.00 C ATOM 0 H THR A 63 6.974 6.161 -5.006 1.00 0.00 H new ATOM 0 HA THR A 63 4.939 7.264 -3.437 1.00 0.00 H new ATOM 0 HB THR A 63 5.500 9.309 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.137 8.847 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.928 9.362 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.077 8.563 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.954 7.588 -4.137 1.00 0.00 H new ATOM 981 N THR A 64 4.034 7.063 -6.581 1.00 0.00 N ATOM 982 CA THR A 64 2.868 7.005 -7.446 1.00 0.00 C ATOM 983 C THR A 64 2.000 5.796 -7.090 1.00 0.00 C ATOM 984 O THR A 64 2.104 5.255 -5.990 1.00 0.00 O ATOM 985 CB THR A 64 3.355 6.997 -8.896 1.00 0.00 C ATOM 986 OG1 THR A 64 4.237 5.879 -8.961 1.00 0.00 O ATOM 987 CG2 THR A 64 4.250 8.195 -9.220 1.00 0.00 C ATOM 0 H THR A 64 4.929 7.047 -7.070 1.00 0.00 H new ATOM 0 HA THR A 64 2.229 7.877 -7.307 1.00 0.00 H new ATOM 0 HB THR A 64 2.496 6.993 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.597 5.799 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.568 8.141 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.694 9.119 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.126 8.180 -8.572 1.00 0.00 H new ATOM 995 N VAL A 65 1.164 5.408 -8.041 1.00 0.00 N ATOM 996 CA VAL A 65 0.278 4.273 -7.842 1.00 0.00 C ATOM 997 C VAL A 65 0.796 3.080 -8.648 1.00 0.00 C ATOM 998 O VAL A 65 1.040 2.010 -8.092 1.00 0.00 O ATOM 999 CB VAL A 65 -1.157 4.660 -8.203 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.052 3.423 -8.294 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.720 5.672 -7.203 1.00 0.00 C ATOM 0 H VAL A 65 1.081 5.859 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 65 0.267 3.977 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.139 5.133 -9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.067 3.726 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.668 2.752 -9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.060 2.908 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.741 5.930 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.717 5.237 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.104 6.571 -7.209 1.00 0.00 H new ATOM 1011 N GLN A 66 0.948 3.304 -9.945 1.00 0.00 N ATOM 1012 CA GLN A 66 1.433 2.260 -10.832 1.00 0.00 C ATOM 1013 C GLN A 66 2.727 1.655 -10.284 1.00 0.00 C ATOM 1014 O GLN A 66 3.095 0.538 -10.644 1.00 0.00 O ATOM 1015 CB GLN A 66 1.637 2.798 -12.250 1.00 0.00 C ATOM 1016 CG GLN A 66 1.975 1.665 -13.222 1.00 0.00 C ATOM 1017 CD GLN A 66 0.778 1.337 -14.118 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.430 2.073 -15.027 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.171 0.194 -13.812 1.00 0.00 N ATOM 0 H GLN A 66 0.744 4.192 -10.403 1.00 0.00 H new ATOM 0 HA GLN A 66 0.680 1.473 -10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.734 3.310 -12.582 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.440 3.535 -12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.827 1.951 -13.838 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.270 0.777 -12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.514 -0.375 -13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.638 -0.114 -14.351 1.00 0.00 H new ATOM 1028 N ALA A 67 3.380 2.419 -9.421 1.00 0.00 N ATOM 1029 CA ALA A 67 4.625 1.972 -8.819 1.00 0.00 C ATOM 1030 C ALA A 67 4.333 0.830 -7.843 1.00 0.00 C ATOM 1031 O ALA A 67 5.186 -0.024 -7.608 1.00 0.00 O ATOM 1032 CB ALA A 67 5.318 3.155 -8.141 1.00 0.00 C ATOM 0 H ALA A 67 3.071 3.345 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 67 5.304 1.589 -9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.252 2.820 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.530 3.926 -8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.667 3.563 -7.368 1.00 0.00 H new ATOM 1038 N ALA A 68 3.125 0.853 -7.299 1.00 0.00 N ATOM 1039 CA ALA A 68 2.710 -0.170 -6.354 1.00 0.00 C ATOM 1040 C ALA A 68 2.159 -1.374 -7.121 1.00 0.00 C ATOM 1041 O ALA A 68 1.604 -2.294 -6.523 1.00 0.00 O ATOM 1042 CB ALA A 68 1.687 0.419 -5.381 1.00 0.00 C ATOM 0 H ALA A 68 2.420 1.564 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 68 3.560 -0.515 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.376 -0.348 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.137 1.252 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.819 0.774 -5.936 1.00 0.00 H new ATOM 1048 N ILE A 69 2.332 -1.328 -8.434 1.00 0.00 N ATOM 1049 CA ILE A 69 1.859 -2.404 -9.288 1.00 0.00 C ATOM 1050 C ILE A 69 3.060 -3.140 -9.886 1.00 0.00 C ATOM 1051 O ILE A 69 3.026 -4.358 -10.053 1.00 0.00 O ATOM 1052 CB ILE A 69 0.883 -1.866 -10.337 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.515 -1.685 -9.743 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.867 -2.758 -11.580 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.728 -0.245 -9.270 1.00 0.00 C ATOM 0 H ILE A 69 2.793 -0.563 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 69 1.295 -3.133 -8.706 1.00 0.00 H new ATOM 0 HB ILE A 69 1.229 -0.882 -10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.267 -1.941 -10.489 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.650 -2.370 -8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.165 -2.353 -12.309 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.865 -2.792 -12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.559 -3.766 -11.301 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.730 -0.144 -8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.010 0.000 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.617 0.436 -10.114 1.00 0.00 H new ATOM 1067 N ASP A 70 4.093 -2.369 -10.193 1.00 0.00 N ATOM 1068 CA ASP A 70 5.302 -2.932 -10.769 1.00 0.00 C ATOM 1069 C ASP A 70 6.129 -3.592 -9.664 1.00 0.00 C ATOM 1070 O ASP A 70 6.729 -4.644 -9.877 1.00 0.00 O ATOM 1071 CB ASP A 70 6.162 -1.845 -11.417 1.00 0.00 C ATOM 1072 CG ASP A 70 5.586 -1.245 -12.701 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.883 -1.924 -13.464 1.00 0.00 O ATOM 1074 OD2 ASP A 70 5.891 -0.009 -12.910 1.00 0.00 O ATOM 0 H ASP A 70 4.117 -1.359 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 70 5.007 -3.658 -11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.312 -1.043 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.144 -2.263 -11.638 1.00 0.00 H new ATOM 1080 N TYR A 71 6.133 -2.947 -8.506 1.00 0.00 N ATOM 1081 CA TYR A 71 6.876 -3.458 -7.367 1.00 0.00 C ATOM 1082 C TYR A 71 6.141 -4.630 -6.715 1.00 0.00 C ATOM 1083 O TYR A 71 6.760 -5.470 -6.062 1.00 0.00 O ATOM 1084 CB TYR A 71 6.961 -2.304 -6.367 1.00 0.00 C ATOM 1085 CG TYR A 71 8.227 -2.316 -5.507 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.446 -2.000 -6.071 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.149 -2.645 -4.169 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.638 -2.012 -5.262 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.341 -2.657 -3.361 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.526 -2.339 -3.947 1.00 0.00 C ATOM 1091 OH TYR A 71 11.651 -2.351 -3.183 1.00 0.00 O ATOM 0 H TYR A 71 5.633 -2.075 -8.333 1.00 0.00 H new ATOM 0 HA TYR A 71 7.858 -3.815 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.913 -1.361 -6.912 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.090 -2.339 -5.713 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.507 -1.744 -7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.195 -2.893 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.599 -1.767 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.295 -2.913 -2.313 1.00 0.00 H new ATOM 0 HH TYR A 71 11.420 -2.601 -2.264 1.00 0.00 H new ATOM 1101 N ILE A 72 4.831 -4.650 -6.913 1.00 0.00 N ATOM 1102 CA ILE A 72 4.005 -5.705 -6.352 1.00 0.00 C ATOM 1103 C ILE A 72 3.974 -6.891 -7.318 1.00 0.00 C ATOM 1104 O ILE A 72 3.916 -8.043 -6.891 1.00 0.00 O ATOM 1105 CB ILE A 72 2.618 -5.167 -5.994 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.671 -4.316 -4.724 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.602 -6.305 -5.880 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.540 -3.074 -4.932 1.00 0.00 C ATOM 0 H ILE A 72 4.321 -3.952 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 72 4.432 -6.066 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 72 2.284 -4.517 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.662 -4.015 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.069 -4.909 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.624 -5.896 -5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.538 -6.832 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.919 -6.999 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.561 -2.487 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.554 -3.379 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.125 -2.471 -5.740 1.00 0.00 H new ATOM 1120 N ASN A 73 4.015 -6.568 -8.603 1.00 0.00 N ATOM 1121 CA ASN A 73 3.992 -7.592 -9.633 1.00 0.00 C ATOM 1122 C ASN A 73 5.068 -8.638 -9.331 1.00 0.00 C ATOM 1123 O ASN A 73 4.931 -9.801 -9.707 1.00 0.00 O ATOM 1124 CB ASN A 73 4.288 -6.994 -11.010 1.00 0.00 C ATOM 1125 CG ASN A 73 3.285 -7.495 -12.052 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.579 -8.347 -12.875 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.088 -6.921 -11.971 1.00 0.00 N ATOM 0 H ASN A 73 4.064 -5.611 -8.954 1.00 0.00 H new ATOM 0 HA ASN A 73 2.999 -8.041 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.247 -5.906 -10.954 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.300 -7.260 -11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.349 -7.188 -12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.909 -6.214 -11.258 1.00 0.00 H new ATOM 1134 N GLY A 74 6.113 -8.186 -8.655 1.00 0.00 N ATOM 1135 CA GLY A 74 7.212 -9.067 -8.298 1.00 0.00 C ATOM 1136 C GLY A 74 6.691 -10.407 -7.772 1.00 0.00 C ATOM 1137 O GLY A 74 7.384 -11.420 -7.850 1.00 0.00 O ATOM 0 H GLY A 74 6.222 -7.221 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.846 -9.235 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.833 -8.591 -7.539 1.00 0.00 H new ATOM 1141 N HIS A 75 5.474 -10.368 -7.248 1.00 0.00 N ATOM 1142 CA HIS A 75 4.853 -11.566 -6.710 1.00 0.00 C ATOM 1143 C HIS A 75 4.974 -12.706 -7.723 1.00 0.00 C ATOM 1144 O HIS A 75 5.489 -13.775 -7.401 1.00 0.00 O ATOM 1145 CB HIS A 75 3.405 -11.289 -6.299 1.00 0.00 C ATOM 1146 CG HIS A 75 2.420 -12.325 -6.785 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.588 -13.681 -6.566 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.254 -12.189 -7.481 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.564 -14.323 -7.110 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.739 -13.396 -7.677 1.00 0.00 N ATOM 0 H HIS A 75 4.902 -9.526 -7.185 1.00 0.00 H new ATOM 0 HA HIS A 75 5.374 -11.875 -5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.351 -11.233 -5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.109 -10.313 -6.683 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.823 -11.257 -7.816 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.410 -15.392 -7.105 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.131 -13.598 -8.170 1.00 0.00 H new ATOM 1158 N GLN A 76 4.490 -12.439 -8.927 1.00 0.00 N ATOM 1159 CA GLN A 76 4.537 -13.430 -9.989 1.00 0.00 C ATOM 1160 C GLN A 76 5.961 -13.556 -10.533 1.00 0.00 C ATOM 1161 O GLN A 76 6.350 -14.615 -11.025 1.00 0.00 O ATOM 1162 CB GLN A 76 3.552 -13.083 -11.107 1.00 0.00 C ATOM 1163 CG GLN A 76 4.027 -11.862 -11.897 1.00 0.00 C ATOM 1164 CD GLN A 76 2.888 -10.859 -12.094 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.732 -10.011 -11.082 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.196 -10.856 -13.099 1.00 0.00 N flip ATOM 0 H GLN A 76 4.063 -11.551 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 76 4.240 -14.393 -9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.443 -13.935 -11.778 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.568 -12.885 -10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.852 -11.382 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.409 -12.179 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.369 -11.536 -13.840 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.444 -10.174 -13.199 1.00 0.00 H new