USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HD1:sc= -1.24 K(o=-1.3,f=0.86) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= -0.0636 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.572 (180deg=-1.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc=0.000644 USER MOD Single : A 7 THR OG1 : rot 55:sc= 0.923 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot -128:sc= 0.0487 USER MOD Single : A 29 SER OG : rot 128:sc= 0.272 USER MOD Single : A 31 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.88) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 6:sc= -0.793 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -15:sc= -1.32 USER MOD Single : A 50 THR OG1 : rot 162:sc= 0.13 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -3.25! (180deg=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0.102 (180deg=-0.357) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0217 (180deg=-0.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 159:sc= -1.35 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.818 9.129 13.095 1.00 0.00 N ATOM 2 CA MET A 1 -9.443 7.689 13.128 1.00 0.00 C ATOM 3 C MET A 1 -9.846 6.982 11.836 1.00 0.00 C ATOM 4 O MET A 1 -9.022 6.335 11.190 1.00 0.00 O ATOM 5 CB MET A 1 -10.125 7.026 14.330 1.00 0.00 C ATOM 6 CG MET A 1 -11.601 7.367 14.468 1.00 0.00 C ATOM 7 SD MET A 1 -12.090 7.658 16.179 1.00 0.00 S ATOM 8 CE MET A 1 -12.547 6.002 16.687 1.00 0.00 C ATOM 0 H1 MET A 1 -9.919 9.484 14.067 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.077 9.669 12.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.720 9.241 12.590 1.00 0.00 H new ATOM 0 HA MET A 1 -8.360 7.608 13.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.019 5.945 14.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.606 7.326 15.240 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.822 8.255 13.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.198 6.553 14.057 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.873 6.017 17.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.359 5.639 16.057 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.687 5.340 16.586 1.00 0.00 H new ATOM 20 N THR A 2 -11.116 7.110 11.464 1.00 0.00 N ATOM 21 CA THR A 2 -11.621 6.484 10.247 1.00 0.00 C ATOM 22 C THR A 2 -11.854 7.527 9.159 1.00 0.00 C ATOM 23 O THR A 2 -12.777 7.403 8.353 1.00 0.00 O ATOM 24 CB THR A 2 -12.921 5.732 10.537 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.814 6.542 11.280 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.711 4.451 11.312 1.00 0.00 C ATOM 0 H THR A 2 -11.813 7.640 11.987 1.00 0.00 H new ATOM 0 HA THR A 2 -10.872 5.775 9.893 1.00 0.00 H new ATOM 0 HB THR A 2 -13.334 5.483 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.640 6.044 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.673 3.968 11.484 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.066 3.783 10.742 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.243 4.678 12.270 1.00 0.00 H new ATOM 34 N ARG A 3 -11.012 8.555 9.143 1.00 0.00 N ATOM 35 CA ARG A 3 -11.126 9.620 8.156 1.00 0.00 C ATOM 36 C ARG A 3 -10.301 9.302 6.913 1.00 0.00 C ATOM 37 O ARG A 3 -10.772 9.457 5.787 1.00 0.00 O ATOM 38 CB ARG A 3 -10.672 10.952 8.757 1.00 0.00 C ATOM 39 CG ARG A 3 -11.806 11.764 9.362 1.00 0.00 C ATOM 40 CD ARG A 3 -11.444 13.237 9.459 1.00 0.00 C ATOM 41 NE ARG A 3 -12.625 14.079 9.629 1.00 0.00 N ATOM 42 CZ ARG A 3 -12.628 15.398 9.446 1.00 0.00 C ATOM 43 NH1 ARG A 3 -11.517 16.027 9.089 1.00 0.00 N ATOM 44 NH2 ARG A 3 -13.747 16.088 9.622 1.00 0.00 N ATOM 0 H ARG A 3 -10.243 8.672 9.803 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.173 9.699 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.924 10.758 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.186 11.544 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.703 11.648 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.041 11.380 10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.766 13.389 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.909 13.539 8.558 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.499 13.630 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.654 15.500 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.525 17.037 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.604 15.608 9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.750 17.098 9.482 1.00 0.00 H new ATOM 58 N TRP A 4 -9.066 8.857 7.126 1.00 0.00 N ATOM 59 CA TRP A 4 -8.178 8.518 6.020 1.00 0.00 C ATOM 60 C TRP A 4 -8.230 7.026 5.707 1.00 0.00 C ATOM 61 O TRP A 4 -7.313 6.483 5.092 1.00 0.00 O ATOM 62 CB TRP A 4 -6.739 8.925 6.348 1.00 0.00 C ATOM 63 CG TRP A 4 -5.861 9.049 5.139 1.00 0.00 C ATOM 64 CD1 TRP A 4 -5.858 10.062 4.231 1.00 0.00 C ATOM 65 CD2 TRP A 4 -4.859 8.124 4.706 1.00 0.00 C ATOM 66 NE1 TRP A 4 -4.915 9.828 3.259 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.287 8.642 3.529 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.392 6.910 5.203 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.268 7.983 2.842 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.382 6.254 4.523 1.00 0.00 C ATOM 71 CH2 TRP A 4 -2.829 6.793 3.353 1.00 0.00 C ATOM 0 H TRP A 4 -8.659 8.723 8.052 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.518 9.067 5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.751 9.878 6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.308 8.189 7.026 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.504 10.926 4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.716 10.438 2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.811 6.488 6.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.842 8.397 1.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.013 5.311 4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.040 6.258 2.845 1.00 0.00 H new ATOM 82 N VAL A 5 -9.305 6.362 6.128 1.00 0.00 N ATOM 83 CA VAL A 5 -9.452 4.933 5.876 1.00 0.00 C ATOM 84 C VAL A 5 -10.811 4.609 5.262 1.00 0.00 C ATOM 85 O VAL A 5 -11.773 4.321 5.974 1.00 0.00 O ATOM 86 CB VAL A 5 -9.287 4.111 7.172 1.00 0.00 C ATOM 87 CG1 VAL A 5 -8.987 2.655 6.846 1.00 0.00 C ATOM 88 CG2 VAL A 5 -8.196 4.704 8.056 1.00 0.00 C ATOM 0 H VAL A 5 -10.079 6.787 6.640 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.665 4.662 5.173 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.226 4.152 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.874 2.091 7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.808 2.236 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.064 2.594 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.098 4.108 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.249 4.701 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.459 5.728 8.322 1.00 0.00 H new ATOM 98 N PRO A 6 -10.907 4.651 3.922 1.00 0.00 N ATOM 99 CA PRO A 6 -12.142 4.362 3.200 1.00 0.00 C ATOM 100 C PRO A 6 -12.289 2.878 2.871 1.00 0.00 C ATOM 101 O PRO A 6 -13.402 2.367 2.739 1.00 0.00 O ATOM 102 CB PRO A 6 -11.962 5.171 1.922 1.00 0.00 C ATOM 103 CG PRO A 6 -10.495 5.109 1.652 1.00 0.00 C ATOM 104 CD PRO A 6 -9.813 5.001 2.997 1.00 0.00 C ATOM 0 HA PRO A 6 -13.034 4.611 3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.537 4.747 1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.300 6.199 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.252 4.251 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.161 5.999 1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.035 4.237 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.336 5.939 3.279 1.00 0.00 H new ATOM 112 N THR A 7 -11.158 2.190 2.733 1.00 0.00 N ATOM 113 CA THR A 7 -11.152 0.766 2.412 1.00 0.00 C ATOM 114 C THR A 7 -12.051 -0.017 3.364 1.00 0.00 C ATOM 115 O THR A 7 -11.760 -0.137 4.554 1.00 0.00 O ATOM 116 CB THR A 7 -9.726 0.216 2.470 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.717 -1.182 2.239 1.00 0.00 O ATOM 118 CG2 THR A 7 -9.042 0.466 3.796 1.00 0.00 C ATOM 0 H THR A 7 -10.230 2.599 2.839 1.00 0.00 H new ATOM 0 HA THR A 7 -11.541 0.648 1.401 1.00 0.00 H new ATOM 0 HB THR A 7 -9.180 0.748 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.166 -1.376 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.035 0.051 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.988 1.539 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.610 -0.011 4.594 1.00 0.00 H new ATOM 126 N LYS A 8 -13.145 -0.549 2.827 1.00 0.00 N ATOM 127 CA LYS A 8 -14.088 -1.323 3.626 1.00 0.00 C ATOM 128 C LYS A 8 -14.390 -2.662 2.960 1.00 0.00 C ATOM 129 O LYS A 8 -14.869 -2.710 1.827 1.00 0.00 O ATOM 130 CB LYS A 8 -15.385 -0.535 3.825 1.00 0.00 C ATOM 131 CG LYS A 8 -15.949 -0.636 5.234 1.00 0.00 C ATOM 132 CD LYS A 8 -17.307 -1.321 5.247 1.00 0.00 C ATOM 133 CE LYS A 8 -18.357 -0.488 4.530 1.00 0.00 C ATOM 134 NZ LYS A 8 -19.656 -1.209 4.418 1.00 0.00 N ATOM 0 H LYS A 8 -13.400 -0.458 1.843 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.634 -1.514 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.203 0.514 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.131 -0.895 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.255 -1.191 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.040 0.362 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.228 -2.298 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.619 -1.494 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.507 0.448 5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.998 -0.230 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.345 -0.608 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.519 -2.090 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.012 -1.433 5.369 1.00 0.00 H new ATOM 148 N ARG A 9 -14.104 -3.749 3.671 1.00 0.00 N ATOM 149 CA ARG A 9 -14.342 -5.090 3.149 1.00 0.00 C ATOM 150 C ARG A 9 -13.474 -5.358 1.924 1.00 0.00 C ATOM 151 O ARG A 9 -13.968 -5.397 0.795 1.00 0.00 O ATOM 152 CB ARG A 9 -15.820 -5.268 2.794 1.00 0.00 C ATOM 153 CG ARG A 9 -16.200 -6.705 2.479 1.00 0.00 C ATOM 154 CD ARG A 9 -16.127 -7.586 3.716 1.00 0.00 C ATOM 155 NE ARG A 9 -16.567 -8.952 3.441 1.00 0.00 N ATOM 156 CZ ARG A 9 -16.286 -9.993 4.225 1.00 0.00 C ATOM 157 NH1 ARG A 9 -15.566 -9.825 5.328 1.00 0.00 N ATOM 158 NH2 ARG A 9 -16.725 -11.201 3.902 1.00 0.00 N ATOM 0 H ARG A 9 -13.707 -3.727 4.610 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.075 -5.808 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.430 -4.913 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.057 -4.641 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.210 -6.734 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.534 -7.098 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.103 -7.603 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.746 -7.157 4.504 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.121 -9.119 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.226 -8.897 5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.353 -10.624 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.277 -11.333 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.511 -11.998 4.501 1.00 0.00 H new ATOM 172 N GLU A 10 -12.178 -5.542 2.152 1.00 0.00 N ATOM 173 CA GLU A 10 -11.239 -5.805 1.067 1.00 0.00 C ATOM 174 C GLU A 10 -11.069 -7.304 0.847 1.00 0.00 C ATOM 175 O GLU A 10 -11.525 -8.116 1.653 1.00 0.00 O ATOM 176 CB GLU A 10 -9.883 -5.164 1.372 1.00 0.00 C ATOM 177 CG GLU A 10 -9.217 -4.543 0.156 1.00 0.00 C ATOM 178 CD GLU A 10 -10.099 -3.519 -0.533 1.00 0.00 C ATOM 179 OE1 GLU A 10 -10.704 -2.686 0.173 1.00 0.00 O ATOM 180 OE2 GLU A 10 -10.185 -3.552 -1.779 1.00 0.00 O ATOM 0 H GLU A 10 -11.753 -5.514 3.079 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.643 -5.366 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.017 -4.397 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.220 -5.920 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.284 -4.068 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.958 -5.329 -0.553 1.00 0.00 H new ATOM 187 N GLU A 11 -10.409 -7.665 -0.250 1.00 0.00 N ATOM 188 CA GLU A 11 -10.179 -9.068 -0.576 1.00 0.00 C ATOM 189 C GLU A 11 -9.295 -9.733 0.475 1.00 0.00 C ATOM 190 O GLU A 11 -9.749 -10.595 1.226 1.00 0.00 O ATOM 191 CB GLU A 11 -9.535 -9.193 -1.957 1.00 0.00 C ATOM 192 CG GLU A 11 -10.006 -10.407 -2.741 1.00 0.00 C ATOM 193 CD GLU A 11 -10.964 -10.043 -3.859 1.00 0.00 C ATOM 194 OE1 GLU A 11 -10.826 -8.937 -4.423 1.00 0.00 O ATOM 195 OE2 GLU A 11 -11.852 -10.865 -4.171 1.00 0.00 O ATOM 0 H GLU A 11 -10.025 -7.006 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.143 -9.576 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.752 -8.293 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.452 -9.244 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.142 -10.921 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.494 -11.106 -2.062 1.00 0.00 H new ATOM 202 N LYS A 12 -8.031 -9.326 0.522 1.00 0.00 N ATOM 203 CA LYS A 12 -7.083 -9.883 1.482 1.00 0.00 C ATOM 204 C LYS A 12 -5.714 -9.227 1.343 1.00 0.00 C ATOM 205 O LYS A 12 -5.260 -8.518 2.242 1.00 0.00 O ATOM 206 CB LYS A 12 -6.959 -11.395 1.289 1.00 0.00 C ATOM 207 CG LYS A 12 -6.755 -12.159 2.588 1.00 0.00 C ATOM 208 CD LYS A 12 -7.968 -12.044 3.498 1.00 0.00 C ATOM 209 CE LYS A 12 -7.756 -10.997 4.580 1.00 0.00 C ATOM 210 NZ LYS A 12 -7.492 -11.616 5.909 1.00 0.00 N ATOM 0 H LYS A 12 -7.639 -8.613 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.461 -9.681 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.858 -11.765 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.123 -11.600 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.562 -13.209 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.875 -11.775 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.845 -11.784 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.170 -13.010 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.918 -10.356 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.637 -10.359 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.353 -10.869 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.302 -12.208 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.636 -12.205 5.854 1.00 0.00 H new ATOM 224 N TYR A 13 -5.059 -9.469 0.213 1.00 0.00 N ATOM 225 CA TYR A 13 -3.738 -8.902 -0.040 1.00 0.00 C ATOM 226 C TYR A 13 -3.670 -8.282 -1.432 1.00 0.00 C ATOM 227 O TYR A 13 -4.639 -8.323 -2.190 1.00 0.00 O ATOM 228 CB TYR A 13 -2.654 -9.977 0.100 1.00 0.00 C ATOM 229 CG TYR A 13 -2.982 -11.054 1.111 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.623 -10.914 2.446 1.00 0.00 C ATOM 231 CD2 TYR A 13 -3.651 -12.211 0.729 1.00 0.00 C ATOM 232 CE1 TYR A 13 -2.922 -11.897 3.371 1.00 0.00 C ATOM 233 CE2 TYR A 13 -3.954 -13.197 1.648 1.00 0.00 C ATOM 234 CZ TYR A 13 -3.587 -13.035 2.967 1.00 0.00 C ATOM 235 OH TYR A 13 -3.887 -14.015 3.885 1.00 0.00 O ATOM 0 H TYR A 13 -5.420 -10.053 -0.542 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.563 -8.121 0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.491 -10.443 -0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.717 -9.499 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.102 -10.024 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.939 -12.341 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.636 -11.774 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.475 -14.090 1.335 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.358 -14.749 3.438 1.00 0.00 H new ATOM 245 N GLY A 14 -2.516 -7.712 -1.761 1.00 0.00 N ATOM 246 CA GLY A 14 -2.336 -7.093 -3.062 1.00 0.00 C ATOM 247 C GLY A 14 -0.883 -7.065 -3.487 1.00 0.00 C ATOM 248 O GLY A 14 0.005 -6.848 -2.665 1.00 0.00 O ATOM 0 H GLY A 14 -1.701 -7.667 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.919 -7.637 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.724 -6.075 -3.035 1.00 0.00 H new ATOM 252 N VAL A 15 -0.636 -7.286 -4.774 1.00 0.00 N ATOM 253 CA VAL A 15 0.723 -7.284 -5.300 1.00 0.00 C ATOM 254 C VAL A 15 1.078 -5.930 -5.901 1.00 0.00 C ATOM 255 O VAL A 15 0.221 -5.242 -6.455 1.00 0.00 O ATOM 256 CB VAL A 15 0.917 -8.379 -6.368 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.355 -8.399 -6.866 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.520 -9.738 -5.814 1.00 0.00 C ATOM 0 H VAL A 15 -1.358 -7.468 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 15 1.387 -7.489 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 15 0.270 -8.151 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.469 -9.179 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.601 -7.432 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.026 -8.600 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.663 -10.499 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.140 -9.973 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.528 -9.717 -5.515 1.00 0.00 H new ATOM 268 N ALA A 16 2.346 -5.552 -5.785 1.00 0.00 N ATOM 269 CA ALA A 16 2.815 -4.279 -6.315 1.00 0.00 C ATOM 270 C ALA A 16 4.023 -4.473 -7.223 1.00 0.00 C ATOM 271 O ALA A 16 5.041 -5.027 -6.806 1.00 0.00 O ATOM 272 CB ALA A 16 3.161 -3.333 -5.176 1.00 0.00 C ATOM 0 H ALA A 16 3.067 -6.110 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 16 2.012 -3.843 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.510 -2.385 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.275 -3.161 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.946 -3.775 -4.562 1.00 0.00 H new ATOM 278 N PHE A 17 3.913 -4.007 -8.463 1.00 0.00 N ATOM 279 CA PHE A 17 5.012 -4.127 -9.415 1.00 0.00 C ATOM 280 C PHE A 17 5.593 -2.756 -9.741 1.00 0.00 C ATOM 281 O PHE A 17 5.132 -2.074 -10.656 1.00 0.00 O ATOM 282 CB PHE A 17 4.546 -4.819 -10.703 1.00 0.00 C ATOM 283 CG PHE A 17 3.063 -4.732 -10.945 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.459 -3.514 -11.215 1.00 0.00 C ATOM 285 CD2 PHE A 17 2.276 -5.872 -10.902 1.00 0.00 C ATOM 286 CE1 PHE A 17 1.098 -3.435 -11.437 1.00 0.00 C ATOM 287 CE2 PHE A 17 0.914 -5.797 -11.124 1.00 0.00 C ATOM 288 CZ PHE A 17 0.324 -4.578 -11.392 1.00 0.00 C ATOM 0 H PHE A 17 3.081 -3.546 -8.830 1.00 0.00 H new ATOM 0 HA PHE A 17 5.789 -4.737 -8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.068 -4.375 -11.551 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.836 -5.869 -10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.059 -2.617 -11.252 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.732 -6.829 -10.693 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.639 -2.480 -11.646 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.311 -6.692 -11.088 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.740 -4.518 -11.566 1.00 0.00 H new ATOM 298 N TYR A 18 6.612 -2.363 -8.985 1.00 0.00 N ATOM 299 CA TYR A 18 7.265 -1.077 -9.191 1.00 0.00 C ATOM 300 C TYR A 18 8.641 -1.054 -8.530 1.00 0.00 C ATOM 301 O TYR A 18 9.016 -1.985 -7.817 1.00 0.00 O ATOM 302 CB TYR A 18 6.398 0.055 -8.638 1.00 0.00 C ATOM 303 CG TYR A 18 6.189 1.191 -9.613 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.306 1.063 -10.679 1.00 0.00 C ATOM 305 CD2 TYR A 18 6.874 2.391 -9.469 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.113 2.099 -11.573 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.684 3.431 -10.360 1.00 0.00 C ATOM 308 CZ TYR A 18 5.804 3.279 -11.409 1.00 0.00 C ATOM 309 OH TYR A 18 5.613 4.314 -12.298 1.00 0.00 O ATOM 0 H TYR A 18 7.003 -2.917 -8.224 1.00 0.00 H new ATOM 0 HA TYR A 18 7.395 -0.931 -10.263 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.427 -0.349 -8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.861 0.446 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.762 0.139 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.566 2.513 -8.649 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.424 1.984 -12.396 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.223 4.358 -10.234 1.00 0.00 H new ATOM 0 HH TYR A 18 6.174 5.075 -12.040 1.00 0.00 H new ATOM 319 N ASN A 19 9.378 0.025 -8.756 1.00 0.00 N ATOM 320 CA ASN A 19 10.703 0.185 -8.171 1.00 0.00 C ATOM 321 C ASN A 19 10.722 1.399 -7.246 1.00 0.00 C ATOM 322 O ASN A 19 11.529 2.314 -7.416 1.00 0.00 O ATOM 323 CB ASN A 19 11.757 0.341 -9.268 1.00 0.00 C ATOM 324 CG ASN A 19 11.954 -0.933 -10.066 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.462 -1.929 -9.553 1.00 0.00 O ATOM 326 ND2 ASN A 19 11.550 -0.907 -11.331 1.00 0.00 N ATOM 0 H ASN A 19 9.080 0.805 -9.342 1.00 0.00 H new ATOM 0 HA ASN A 19 10.938 -0.707 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.461 1.146 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.705 0.635 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.656 -1.735 -11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.134 -0.059 -11.716 1.00 0.00 H new ATOM 333 N TYR A 20 9.814 1.404 -6.274 1.00 0.00 N ATOM 334 CA TYR A 20 9.707 2.509 -5.328 1.00 0.00 C ATOM 335 C TYR A 20 10.651 2.322 -4.145 1.00 0.00 C ATOM 336 O TYR A 20 10.925 1.199 -3.722 1.00 0.00 O ATOM 337 CB TYR A 20 8.266 2.632 -4.826 1.00 0.00 C ATOM 338 CG TYR A 20 8.008 3.882 -4.014 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.549 5.106 -4.392 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.220 3.837 -2.870 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.312 6.248 -3.653 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.980 4.977 -2.125 1.00 0.00 C ATOM 343 CZ TYR A 20 7.528 6.180 -2.520 1.00 0.00 C ATOM 344 OH TYR A 20 7.292 7.316 -1.781 1.00 0.00 O ATOM 0 H TYR A 20 9.141 0.653 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 20 9.992 3.424 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.591 2.620 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.027 1.759 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.164 5.164 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.789 2.897 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.739 7.191 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.366 4.926 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 20 7.512 7.146 -0.841 1.00 0.00 H new ATOM 354 N ASP A 21 11.140 3.438 -3.613 1.00 0.00 N ATOM 355 CA ASP A 21 12.050 3.413 -2.474 1.00 0.00 C ATOM 356 C ASP A 21 11.529 4.310 -1.356 1.00 0.00 C ATOM 357 O ASP A 21 10.875 5.319 -1.613 1.00 0.00 O ATOM 358 CB ASP A 21 13.448 3.865 -2.899 1.00 0.00 C ATOM 359 CG ASP A 21 14.545 3.174 -2.114 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.498 1.930 -1.999 1.00 0.00 O ATOM 361 OD2 ASP A 21 15.448 3.874 -1.612 1.00 0.00 O ATOM 0 H ASP A 21 10.920 4.374 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 21 12.109 2.390 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.584 3.664 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.534 4.943 -2.765 1.00 0.00 H new ATOM 366 N ALA A 22 11.821 3.935 -0.114 1.00 0.00 N ATOM 367 CA ALA A 22 11.376 4.711 1.036 1.00 0.00 C ATOM 368 C ALA A 22 12.479 5.629 1.550 1.00 0.00 C ATOM 369 O ALA A 22 13.664 5.318 1.438 1.00 0.00 O ATOM 370 CB ALA A 22 10.901 3.783 2.146 1.00 0.00 C ATOM 0 H ALA A 22 12.361 3.102 0.120 1.00 0.00 H new ATOM 0 HA ALA A 22 10.544 5.337 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.571 4.376 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.071 3.176 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.720 3.132 2.451 1.00 0.00 H new ATOM 376 N ARG A 23 12.076 6.761 2.115 1.00 0.00 N ATOM 377 CA ARG A 23 13.023 7.730 2.652 1.00 0.00 C ATOM 378 C ARG A 23 12.969 7.758 4.178 1.00 0.00 C ATOM 379 O ARG A 23 13.907 8.214 4.831 1.00 0.00 O ATOM 380 CB ARG A 23 12.729 9.124 2.095 1.00 0.00 C ATOM 381 CG ARG A 23 13.517 9.456 0.837 1.00 0.00 C ATOM 382 CD ARG A 23 14.505 10.589 1.072 1.00 0.00 C ATOM 383 NE ARG A 23 15.889 10.156 0.887 1.00 0.00 N ATOM 384 CZ ARG A 23 16.456 9.974 -0.303 1.00 0.00 C ATOM 385 NH1 ARG A 23 15.764 10.184 -1.417 1.00 0.00 N ATOM 386 NH2 ARG A 23 17.720 9.579 -0.381 1.00 0.00 N ATOM 0 H ARG A 23 11.097 7.031 2.213 1.00 0.00 H new ATOM 0 HA ARG A 23 14.025 7.428 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.664 9.202 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.953 9.867 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.054 8.569 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.828 9.734 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.287 11.408 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.378 10.977 2.083 1.00 0.00 H new ATOM 0 HE ARG A 23 16.453 9.983 1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.791 10.487 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.205 10.043 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.257 9.415 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.155 9.439 -1.293 1.00 0.00 H new ATOM 400 N GLY A 24 11.866 7.271 4.742 1.00 0.00 N ATOM 401 CA GLY A 24 11.718 7.254 6.185 1.00 0.00 C ATOM 402 C GLY A 24 10.748 6.190 6.659 1.00 0.00 C ATOM 403 O GLY A 24 10.363 5.305 5.893 1.00 0.00 O ATOM 0 H GLY A 24 11.074 6.889 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.692 7.083 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.373 8.231 6.523 1.00 0.00 H new ATOM 407 N ALA A 25 10.352 6.277 7.925 1.00 0.00 N ATOM 408 CA ALA A 25 9.422 5.315 8.503 1.00 0.00 C ATOM 409 C ALA A 25 8.011 5.516 7.961 1.00 0.00 C ATOM 410 O ALA A 25 7.234 4.568 7.855 1.00 0.00 O ATOM 411 CB ALA A 25 9.426 5.426 10.021 1.00 0.00 C ATOM 0 H ALA A 25 10.661 7.004 8.570 1.00 0.00 H new ATOM 0 HA ALA A 25 9.751 4.315 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.727 4.702 10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.428 5.223 10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.125 6.432 10.313 1.00 0.00 H new ATOM 417 N ASP A 26 7.686 6.759 7.621 1.00 0.00 N ATOM 418 CA ASP A 26 6.366 7.086 7.091 1.00 0.00 C ATOM 419 C ASP A 26 6.104 6.347 5.783 1.00 0.00 C ATOM 420 O ASP A 26 4.962 6.012 5.467 1.00 0.00 O ATOM 421 CB ASP A 26 6.240 8.595 6.875 1.00 0.00 C ATOM 422 CG ASP A 26 4.911 9.139 7.358 1.00 0.00 C ATOM 423 OD1 ASP A 26 3.937 9.113 6.575 1.00 0.00 O ATOM 424 OD2 ASP A 26 4.841 9.591 8.521 1.00 0.00 O ATOM 0 H ASP A 26 8.317 7.556 7.703 1.00 0.00 H new ATOM 0 HA ASP A 26 5.621 6.767 7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.049 9.103 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.357 8.818 5.815 1.00 0.00 H new ATOM 429 N GLU A 27 7.166 6.097 5.025 1.00 0.00 N ATOM 430 CA GLU A 27 7.048 5.400 3.748 1.00 0.00 C ATOM 431 C GLU A 27 7.743 4.044 3.800 1.00 0.00 C ATOM 432 O GLU A 27 8.387 3.702 4.792 1.00 0.00 O ATOM 433 CB GLU A 27 7.647 6.247 2.623 1.00 0.00 C ATOM 434 CG GLU A 27 6.651 7.197 1.979 1.00 0.00 C ATOM 435 CD GLU A 27 7.303 8.473 1.481 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.010 9.128 2.274 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.104 8.816 0.296 1.00 0.00 O ATOM 0 H GLU A 27 8.118 6.366 5.272 1.00 0.00 H new ATOM 0 HA GLU A 27 5.988 5.238 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.482 6.824 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.052 5.585 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.161 6.694 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.874 7.448 2.701 1.00 0.00 H new ATOM 444 N LEU A 28 7.607 3.277 2.724 1.00 0.00 N ATOM 445 CA LEU A 28 8.223 1.957 2.642 1.00 0.00 C ATOM 446 C LEU A 28 8.636 1.640 1.208 1.00 0.00 C ATOM 447 O LEU A 28 7.866 1.847 0.269 1.00 0.00 O ATOM 448 CB LEU A 28 7.258 0.889 3.161 1.00 0.00 C ATOM 449 CG LEU A 28 7.858 -0.513 3.304 1.00 0.00 C ATOM 450 CD1 LEU A 28 7.515 -1.107 4.663 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.374 -1.422 2.182 1.00 0.00 C ATOM 0 H LEU A 28 7.076 3.546 1.896 1.00 0.00 H new ATOM 0 HA LEU A 28 9.118 1.958 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.878 1.206 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.403 0.835 2.487 1.00 0.00 H new ATOM 0 HG LEU A 28 8.942 -0.430 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.950 -2.103 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.917 -0.469 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.432 -1.174 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.812 -2.413 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.287 -1.498 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.676 -1.006 1.221 1.00 0.00 H new ATOM 463 N SER A 29 9.858 1.141 1.045 1.00 0.00 N ATOM 464 CA SER A 29 10.377 0.800 -0.273 1.00 0.00 C ATOM 465 C SER A 29 9.565 -0.325 -0.908 1.00 0.00 C ATOM 466 O SER A 29 9.448 -1.413 -0.343 1.00 0.00 O ATOM 467 CB SER A 29 11.846 0.388 -0.175 1.00 0.00 C ATOM 468 OG SER A 29 12.432 0.274 -1.460 1.00 0.00 O ATOM 0 H SER A 29 10.507 0.964 1.812 1.00 0.00 H new ATOM 0 HA SER A 29 10.294 1.684 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.394 1.123 0.414 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.925 -0.564 0.350 1.00 0.00 H new ATOM 0 HG SER A 29 13.259 0.800 -1.490 1.00 0.00 H new ATOM 474 N LEU A 30 9.009 -0.059 -2.085 1.00 0.00 N ATOM 475 CA LEU A 30 8.212 -1.052 -2.794 1.00 0.00 C ATOM 476 C LEU A 30 8.988 -1.634 -3.971 1.00 0.00 C ATOM 477 O LEU A 30 9.662 -0.909 -4.705 1.00 0.00 O ATOM 478 CB LEU A 30 6.902 -0.430 -3.287 1.00 0.00 C ATOM 479 CG LEU A 30 5.639 -1.240 -2.977 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.839 -2.706 -3.326 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.257 -1.087 -1.513 1.00 0.00 C ATOM 0 H LEU A 30 9.096 0.835 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 30 7.983 -1.860 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.798 0.560 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.968 -0.289 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 30 4.825 -0.853 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.930 -3.262 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.064 -2.800 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.667 -3.109 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.358 -1.668 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.072 -1.447 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.067 -0.036 -1.294 1.00 0.00 H new ATOM 493 N GLN A 31 8.889 -2.947 -4.146 1.00 0.00 N ATOM 494 CA GLN A 31 9.580 -3.630 -5.232 1.00 0.00 C ATOM 495 C GLN A 31 8.640 -4.586 -5.957 1.00 0.00 C ATOM 496 O GLN A 31 7.638 -5.033 -5.396 1.00 0.00 O ATOM 497 CB GLN A 31 10.789 -4.396 -4.694 1.00 0.00 C ATOM 498 CG GLN A 31 12.014 -3.522 -4.471 1.00 0.00 C ATOM 499 CD GLN A 31 13.268 -4.102 -5.097 1.00 0.00 C ATOM 500 OE1 GLN A 31 13.216 -4.712 -6.164 1.00 0.00 O ATOM 501 NE2 GLN A 31 14.401 -3.916 -4.432 1.00 0.00 N ATOM 0 H GLN A 31 8.335 -3.560 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 31 9.923 -2.877 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.517 -4.873 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.044 -5.193 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.830 -2.532 -4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.173 -3.393 -3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.397 -3.403 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.276 -4.286 -4.803 1.00 0.00 H new ATOM 510 N ILE A 32 8.966 -4.896 -7.207 1.00 0.00 N ATOM 511 CA ILE A 32 8.148 -5.798 -8.009 1.00 0.00 C ATOM 512 C ILE A 32 8.196 -7.220 -7.464 1.00 0.00 C ATOM 513 O ILE A 32 9.246 -7.696 -7.030 1.00 0.00 O ATOM 514 CB ILE A 32 8.596 -5.804 -9.484 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.672 -4.375 -10.024 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.643 -6.641 -10.326 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.790 -4.163 -11.021 1.00 0.00 C ATOM 0 H ILE A 32 9.791 -4.536 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 32 7.124 -5.429 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 32 9.589 -6.249 -9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.723 -4.123 -10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.805 -3.687 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.974 -6.635 -11.365 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.633 -7.666 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.638 -6.223 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.783 -3.127 -11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.747 -4.383 -10.547 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.647 -4.826 -11.874 1.00 0.00 H new ATOM 529 N GLY A 33 7.050 -7.895 -7.490 1.00 0.00 N ATOM 530 CA GLY A 33 6.978 -9.256 -6.995 1.00 0.00 C ATOM 531 C GLY A 33 6.715 -9.323 -5.501 1.00 0.00 C ATOM 532 O GLY A 33 6.608 -10.410 -4.933 1.00 0.00 O ATOM 0 H GLY A 33 6.170 -7.522 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.187 -9.789 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.913 -9.770 -7.219 1.00 0.00 H new ATOM 536 N ASP A 34 6.617 -8.160 -4.862 1.00 0.00 N ATOM 537 CA ASP A 34 6.371 -8.095 -3.427 1.00 0.00 C ATOM 538 C ASP A 34 4.886 -7.926 -3.125 1.00 0.00 C ATOM 539 O ASP A 34 4.190 -7.162 -3.794 1.00 0.00 O ATOM 540 CB ASP A 34 7.153 -6.934 -2.812 1.00 0.00 C ATOM 541 CG ASP A 34 8.612 -7.275 -2.581 1.00 0.00 C ATOM 542 OD1 ASP A 34 8.918 -7.906 -1.547 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.448 -6.912 -3.434 1.00 0.00 O ATOM 0 H ASP A 34 6.704 -7.251 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 34 6.706 -9.035 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.085 -6.066 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.694 -6.653 -1.864 1.00 0.00 H new ATOM 548 N THR A 35 4.413 -8.631 -2.103 1.00 0.00 N ATOM 549 CA THR A 35 3.015 -8.544 -1.700 1.00 0.00 C ATOM 550 C THR A 35 2.850 -7.495 -0.607 1.00 0.00 C ATOM 551 O THR A 35 3.776 -7.242 0.164 1.00 0.00 O ATOM 552 CB THR A 35 2.511 -9.900 -1.206 1.00 0.00 C ATOM 553 OG1 THR A 35 2.929 -10.937 -2.074 1.00 0.00 O ATOM 554 CG2 THR A 35 1.002 -9.969 -1.099 1.00 0.00 C ATOM 0 H THR A 35 4.976 -9.268 -1.540 1.00 0.00 H new ATOM 0 HA THR A 35 2.423 -8.251 -2.567 1.00 0.00 H new ATOM 0 HB THR A 35 2.938 -10.025 -0.211 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.598 -11.797 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.707 -10.956 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.652 -9.211 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.559 -9.789 -2.079 1.00 0.00 H new ATOM 562 N VAL A 36 1.677 -6.878 -0.547 1.00 0.00 N ATOM 563 CA VAL A 36 1.414 -5.850 0.451 1.00 0.00 C ATOM 564 C VAL A 36 0.003 -5.954 1.013 1.00 0.00 C ATOM 565 O VAL A 36 -0.951 -6.226 0.284 1.00 0.00 O ATOM 566 CB VAL A 36 1.604 -4.439 -0.136 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.056 -4.207 -0.530 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.680 -4.225 -1.326 1.00 0.00 C ATOM 0 H VAL A 36 0.896 -7.070 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 36 2.132 -6.014 1.255 1.00 0.00 H new ATOM 0 HB VAL A 36 1.344 -3.712 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.165 -3.204 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.692 -4.310 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.351 -4.941 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.829 -3.222 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.904 -4.961 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.356 -4.338 -1.007 1.00 0.00 H new ATOM 578 N HIS A 37 -0.122 -5.711 2.313 1.00 0.00 N ATOM 579 CA HIS A 37 -1.416 -5.751 2.977 1.00 0.00 C ATOM 580 C HIS A 37 -1.950 -4.335 3.146 1.00 0.00 C ATOM 581 O HIS A 37 -1.437 -3.561 3.955 1.00 0.00 O ATOM 582 CB HIS A 37 -1.299 -6.438 4.339 1.00 0.00 C ATOM 583 CG HIS A 37 -2.621 -6.752 4.967 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.380 -7.848 4.616 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.322 -6.103 5.928 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.490 -7.862 5.333 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.479 -6.814 6.137 1.00 0.00 N ATOM 0 H HIS A 37 0.660 -5.484 2.927 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.110 -6.324 2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.733 -7.362 4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.729 -5.797 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -3.026 -5.196 6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.273 -8.604 5.272 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.211 -6.572 6.805 1.00 0.00 H new ATOM 596 N ILE A 38 -2.971 -3.996 2.368 1.00 0.00 N ATOM 597 CA ILE A 38 -3.560 -2.666 2.417 1.00 0.00 C ATOM 598 C ILE A 38 -4.361 -2.453 3.698 1.00 0.00 C ATOM 599 O ILE A 38 -5.438 -3.023 3.874 1.00 0.00 O ATOM 600 CB ILE A 38 -4.466 -2.413 1.198 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.719 -2.770 -0.091 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.927 -0.963 1.169 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.507 -2.491 -1.350 1.00 0.00 C ATOM 0 H ILE A 38 -3.408 -4.626 1.695 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.734 -1.955 2.400 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.349 -3.047 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.785 -2.209 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.455 -3.827 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.566 -0.802 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.486 -0.741 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.059 -0.306 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.913 -2.769 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.429 -3.073 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.749 -1.429 -1.400 1.00 0.00 H new ATOM 615 N LEU A 39 -3.823 -1.620 4.582 1.00 0.00 N ATOM 616 CA LEU A 39 -4.477 -1.315 5.849 1.00 0.00 C ATOM 617 C LEU A 39 -5.342 -0.065 5.712 1.00 0.00 C ATOM 618 O LEU A 39 -6.464 -0.014 6.213 1.00 0.00 O ATOM 619 CB LEU A 39 -3.424 -1.119 6.948 1.00 0.00 C ATOM 620 CG LEU A 39 -3.953 -0.634 8.301 1.00 0.00 C ATOM 621 CD1 LEU A 39 -4.217 0.864 8.269 1.00 0.00 C ATOM 622 CD2 LEU A 39 -5.212 -1.395 8.693 1.00 0.00 C ATOM 0 H LEU A 39 -2.932 -1.142 4.444 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.121 -2.151 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.905 -2.065 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.683 -0.403 6.591 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.190 -0.830 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.592 1.188 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.291 1.392 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.958 1.087 7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.570 -1.034 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.982 -1.238 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.986 -2.459 8.765 1.00 0.00 H new ATOM 634 N GLU A 40 -4.810 0.939 5.020 1.00 0.00 N ATOM 635 CA GLU A 40 -5.529 2.188 4.805 1.00 0.00 C ATOM 636 C GLU A 40 -5.641 2.491 3.314 1.00 0.00 C ATOM 637 O GLU A 40 -4.963 1.870 2.499 1.00 0.00 O ATOM 638 CB GLU A 40 -4.824 3.340 5.526 1.00 0.00 C ATOM 639 CG GLU A 40 -5.669 3.984 6.612 1.00 0.00 C ATOM 640 CD GLU A 40 -4.833 4.536 7.752 1.00 0.00 C ATOM 641 OE1 GLU A 40 -3.679 4.939 7.499 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.333 4.562 8.896 1.00 0.00 O ATOM 0 H GLU A 40 -3.882 0.910 4.598 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.534 2.081 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.899 2.969 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.546 4.099 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.261 4.790 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.371 3.249 7.004 1.00 0.00 H new ATOM 649 N THR A 41 -6.502 3.441 2.965 1.00 0.00 N ATOM 650 CA THR A 41 -6.705 3.818 1.567 1.00 0.00 C ATOM 651 C THR A 41 -7.051 5.303 1.453 1.00 0.00 C ATOM 652 O THR A 41 -7.352 5.955 2.451 1.00 0.00 O ATOM 653 CB THR A 41 -7.814 2.947 0.956 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.354 1.622 0.760 1.00 0.00 O ATOM 655 CG2 THR A 41 -8.331 3.448 -0.378 1.00 0.00 C ATOM 0 H THR A 41 -7.071 3.965 3.629 1.00 0.00 H new ATOM 0 HA THR A 41 -5.781 3.651 1.014 1.00 0.00 H new ATOM 0 HB THR A 41 -8.632 2.991 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.460 1.525 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.111 2.778 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.742 4.450 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.513 3.476 -1.098 1.00 0.00 H new ATOM 663 N TYR A 42 -7.001 5.837 0.234 1.00 0.00 N ATOM 664 CA TYR A 42 -7.312 7.245 0.006 1.00 0.00 C ATOM 665 C TYR A 42 -7.271 7.591 -1.481 1.00 0.00 C ATOM 666 O TYR A 42 -6.838 8.678 -1.862 1.00 0.00 O ATOM 667 CB TYR A 42 -6.330 8.135 0.772 1.00 0.00 C ATOM 668 CG TYR A 42 -6.921 9.454 1.217 1.00 0.00 C ATOM 669 CD1 TYR A 42 -7.954 9.498 2.145 1.00 0.00 C ATOM 670 CD2 TYR A 42 -6.445 10.656 0.707 1.00 0.00 C ATOM 671 CE1 TYR A 42 -8.497 10.701 2.552 1.00 0.00 C ATOM 672 CE2 TYR A 42 -6.982 11.865 1.111 1.00 0.00 C ATOM 673 CZ TYR A 42 -8.007 11.882 2.033 1.00 0.00 C ATOM 674 OH TYR A 42 -8.543 13.082 2.437 1.00 0.00 O ATOM 0 H TYR A 42 -6.749 5.318 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.324 7.425 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.971 7.594 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.463 8.330 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.339 8.576 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.643 10.646 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.301 10.717 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.600 12.791 0.706 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.085 13.816 1.977 1.00 0.00 H new ATOM 684 N GLU A 43 -7.725 6.662 -2.319 1.00 0.00 N ATOM 685 CA GLU A 43 -7.739 6.878 -3.762 1.00 0.00 C ATOM 686 C GLU A 43 -6.326 7.100 -4.285 1.00 0.00 C ATOM 687 O GLU A 43 -5.772 8.192 -4.163 1.00 0.00 O ATOM 688 CB GLU A 43 -8.623 8.080 -4.110 1.00 0.00 C ATOM 689 CG GLU A 43 -9.921 7.698 -4.800 1.00 0.00 C ATOM 690 CD GLU A 43 -10.895 7.000 -3.868 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.543 5.924 -3.341 1.00 0.00 O ATOM 692 OE2 GLU A 43 -12.006 7.532 -3.666 1.00 0.00 O ATOM 0 H GLU A 43 -8.087 5.755 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.149 5.988 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.854 8.628 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.064 8.758 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.390 8.595 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.701 7.045 -5.644 1.00 0.00 H new ATOM 699 N GLY A 44 -5.742 6.053 -4.858 1.00 0.00 N ATOM 700 CA GLY A 44 -4.391 6.155 -5.379 1.00 0.00 C ATOM 701 C GLY A 44 -3.396 6.512 -4.294 1.00 0.00 C ATOM 702 O GLY A 44 -2.354 7.108 -4.562 1.00 0.00 O ATOM 0 H GLY A 44 -6.178 5.138 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.105 5.208 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.360 6.911 -6.164 1.00 0.00 H new ATOM 706 N TRP A 45 -3.731 6.147 -3.061 1.00 0.00 N ATOM 707 CA TRP A 45 -2.882 6.426 -1.913 1.00 0.00 C ATOM 708 C TRP A 45 -3.302 5.551 -0.737 1.00 0.00 C ATOM 709 O TRP A 45 -4.208 5.905 0.017 1.00 0.00 O ATOM 710 CB TRP A 45 -2.995 7.906 -1.538 1.00 0.00 C ATOM 711 CG TRP A 45 -1.793 8.502 -0.853 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.777 9.675 -0.155 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.445 7.989 -0.799 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.518 9.929 0.326 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.317 8.914 -0.053 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.198 6.850 -1.299 1.00 0.00 C ATOM 717 CZ2 TRP A 45 1.673 8.735 0.200 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.547 6.676 -1.046 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.270 7.614 -0.305 1.00 0.00 C ATOM 0 H TRP A 45 -4.593 5.653 -2.832 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.845 6.203 -2.165 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.193 8.477 -2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.860 8.031 -0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.635 10.313 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.248 10.743 0.877 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.351 6.118 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.234 9.456 0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.050 5.800 -1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.323 7.450 -0.127 1.00 0.00 H new ATOM 730 N TYR A 46 -2.659 4.396 -0.598 1.00 0.00 N ATOM 731 CA TYR A 46 -2.993 3.465 0.476 1.00 0.00 C ATOM 732 C TYR A 46 -1.799 3.224 1.391 1.00 0.00 C ATOM 733 O TYR A 46 -0.646 3.316 0.966 1.00 0.00 O ATOM 734 CB TYR A 46 -3.473 2.129 -0.108 1.00 0.00 C ATOM 735 CG TYR A 46 -4.221 2.256 -1.418 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.099 3.309 -1.643 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.049 1.319 -2.428 1.00 0.00 C ATOM 738 CE1 TYR A 46 -5.785 3.425 -2.835 1.00 0.00 C ATOM 739 CE2 TYR A 46 -4.731 1.428 -3.627 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.598 2.482 -3.825 1.00 0.00 C ATOM 741 OH TYR A 46 -6.280 2.596 -5.013 1.00 0.00 O ATOM 0 H TYR A 46 -1.907 4.083 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.793 3.912 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.610 1.480 -0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.119 1.639 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.247 4.050 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.372 0.492 -2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.465 4.250 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.585 0.692 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.014 3.237 -4.909 1.00 0.00 H new ATOM 751 N ARG A 47 -2.087 2.914 2.651 1.00 0.00 N ATOM 752 CA ARG A 47 -1.044 2.655 3.637 1.00 0.00 C ATOM 753 C ARG A 47 -1.117 1.216 4.132 1.00 0.00 C ATOM 754 O ARG A 47 -1.950 0.881 4.975 1.00 0.00 O ATOM 755 CB ARG A 47 -1.177 3.618 4.819 1.00 0.00 C ATOM 756 CG ARG A 47 -0.071 3.471 5.852 1.00 0.00 C ATOM 757 CD ARG A 47 -0.626 3.429 7.267 1.00 0.00 C ATOM 758 NE ARG A 47 0.177 4.221 8.194 1.00 0.00 N ATOM 759 CZ ARG A 47 0.162 4.060 9.515 1.00 0.00 C ATOM 760 NH1 ARG A 47 -0.616 3.137 10.069 1.00 0.00 N ATOM 761 NH2 ARG A 47 0.927 4.823 10.285 1.00 0.00 N ATOM 0 H ARG A 47 -3.037 2.836 3.014 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.077 2.812 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.179 4.642 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.139 3.454 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.492 2.559 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.627 4.303 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.650 3.801 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.663 2.395 7.611 1.00 0.00 H new ATOM 0 HE ARG A 47 0.786 4.941 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.206 2.548 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.624 3.018 11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.527 5.533 9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.915 4.700 11.297 1.00 0.00 H new ATOM 775 N GLY A 48 -0.245 0.365 3.600 1.00 0.00 N ATOM 776 CA GLY A 48 -0.233 -1.028 4.001 1.00 0.00 C ATOM 777 C GLY A 48 1.162 -1.533 4.309 1.00 0.00 C ATOM 778 O GLY A 48 2.152 -0.861 4.018 1.00 0.00 O ATOM 0 H GLY A 48 0.452 0.616 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.864 -1.155 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.668 -1.635 3.207 1.00 0.00 H new ATOM 782 N TYR A 49 1.242 -2.720 4.902 1.00 0.00 N ATOM 783 CA TYR A 49 2.528 -3.314 5.251 1.00 0.00 C ATOM 784 C TYR A 49 2.827 -4.526 4.374 1.00 0.00 C ATOM 785 O TYR A 49 1.945 -5.340 4.101 1.00 0.00 O ATOM 786 CB TYR A 49 2.539 -3.722 6.726 1.00 0.00 C ATOM 787 CG TYR A 49 1.426 -4.675 7.100 1.00 0.00 C ATOM 788 CD1 TYR A 49 0.154 -4.205 7.395 1.00 0.00 C ATOM 789 CD2 TYR A 49 1.650 -6.044 7.159 1.00 0.00 C ATOM 790 CE1 TYR A 49 -0.865 -5.072 7.739 1.00 0.00 C ATOM 791 CE2 TYR A 49 0.636 -6.919 7.501 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.620 -6.427 7.792 1.00 0.00 C ATOM 793 OH TYR A 49 -1.631 -7.294 8.133 1.00 0.00 O ATOM 0 H TYR A 49 0.433 -3.289 5.151 1.00 0.00 H new ATOM 0 HA TYR A 49 3.303 -2.567 5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.497 -4.187 6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.461 -2.826 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.043 -3.144 7.355 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.633 -6.432 6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.849 -4.690 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.826 -7.981 7.540 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.291 -8.213 8.122 1.00 0.00 H new ATOM 803 N THR A 50 4.078 -4.638 3.937 1.00 0.00 N ATOM 804 CA THR A 50 4.496 -5.753 3.092 1.00 0.00 C ATOM 805 C THR A 50 4.479 -7.064 3.873 1.00 0.00 C ATOM 806 O THR A 50 4.714 -7.081 5.080 1.00 0.00 O ATOM 807 CB THR A 50 5.897 -5.498 2.527 1.00 0.00 C ATOM 808 OG1 THR A 50 6.537 -4.443 3.222 1.00 0.00 O ATOM 809 CG2 THR A 50 5.894 -5.142 1.055 1.00 0.00 C ATOM 0 H THR A 50 4.819 -3.972 4.153 1.00 0.00 H new ATOM 0 HA THR A 50 3.790 -5.834 2.266 1.00 0.00 H new ATOM 0 HB THR A 50 6.434 -6.438 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.502 -4.481 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.917 -4.974 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.454 -5.959 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.309 -4.236 0.901 1.00 0.00 H new ATOM 817 N LEU A 51 4.200 -8.158 3.172 1.00 0.00 N ATOM 818 CA LEU A 51 4.154 -9.474 3.799 1.00 0.00 C ATOM 819 C LEU A 51 5.519 -9.856 4.365 1.00 0.00 C ATOM 820 O LEU A 51 5.612 -10.468 5.428 1.00 0.00 O ATOM 821 CB LEU A 51 3.694 -10.528 2.789 1.00 0.00 C ATOM 822 CG LEU A 51 2.182 -10.752 2.733 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.692 -11.415 4.011 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.456 -9.435 2.500 1.00 0.00 C ATOM 0 H LEU A 51 4.003 -8.160 2.171 1.00 0.00 H new ATOM 0 HA LEU A 51 3.439 -9.432 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.040 -10.235 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.178 -11.475 3.029 1.00 0.00 H new ATOM 0 HG LEU A 51 1.963 -11.417 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.614 -11.566 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.187 -12.378 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.923 -10.777 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.381 -9.614 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.682 -8.746 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.784 -9.001 1.556 1.00 0.00 H new ATOM 836 N ARG A 52 6.574 -9.489 3.644 1.00 0.00 N ATOM 837 CA ARG A 52 7.935 -9.793 4.073 1.00 0.00 C ATOM 838 C ARG A 52 8.345 -8.916 5.252 1.00 0.00 C ATOM 839 O ARG A 52 9.147 -9.324 6.093 1.00 0.00 O ATOM 840 CB ARG A 52 8.914 -9.597 2.915 1.00 0.00 C ATOM 841 CG ARG A 52 8.919 -8.185 2.354 1.00 0.00 C ATOM 842 CD ARG A 52 9.958 -7.315 3.042 1.00 0.00 C ATOM 843 NE ARG A 52 11.176 -7.184 2.247 1.00 0.00 N ATOM 844 CZ ARG A 52 11.228 -6.577 1.064 1.00 0.00 C ATOM 845 NH1 ARG A 52 10.132 -6.046 0.535 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.377 -6.500 0.408 1.00 0.00 N ATOM 0 H ARG A 52 6.513 -8.981 2.761 1.00 0.00 H new ATOM 0 HA ARG A 52 7.962 -10.835 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.919 -9.848 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.663 -10.295 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.122 -8.219 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.932 -7.740 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.538 -6.326 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.204 -7.744 4.014 1.00 0.00 H new ATOM 0 HE ARG A 52 12.038 -7.581 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.245 -6.102 1.036 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.177 -5.582 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.222 -6.906 0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.416 -6.035 -0.499 1.00 0.00 H new ATOM 860 N LYS A 53 7.791 -7.709 5.308 1.00 0.00 N ATOM 861 CA LYS A 53 8.101 -6.775 6.385 1.00 0.00 C ATOM 862 C LYS A 53 6.839 -6.383 7.148 1.00 0.00 C ATOM 863 O LYS A 53 6.328 -5.273 6.997 1.00 0.00 O ATOM 864 CB LYS A 53 8.783 -5.525 5.824 1.00 0.00 C ATOM 865 CG LYS A 53 10.300 -5.605 5.832 1.00 0.00 C ATOM 866 CD LYS A 53 10.913 -4.704 4.772 1.00 0.00 C ATOM 867 CE LYS A 53 11.213 -3.321 5.323 1.00 0.00 C ATOM 868 NZ LYS A 53 10.056 -2.398 5.171 1.00 0.00 N ATOM 0 H LYS A 53 7.126 -7.355 4.621 1.00 0.00 H new ATOM 0 HA LYS A 53 8.781 -7.271 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.441 -5.363 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.470 -4.658 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.675 -5.319 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.612 -6.635 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.832 -5.155 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.231 -4.620 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.478 -3.400 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.079 -2.905 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.361 -1.423 5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.690 -2.457 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.307 -2.668 5.840 1.00 0.00 H new ATOM 882 N LYS A 54 6.341 -7.302 7.967 1.00 0.00 N ATOM 883 CA LYS A 54 5.138 -7.056 8.756 1.00 0.00 C ATOM 884 C LYS A 54 5.451 -6.249 10.017 1.00 0.00 C ATOM 885 O LYS A 54 4.552 -5.936 10.799 1.00 0.00 O ATOM 886 CB LYS A 54 4.481 -8.383 9.143 1.00 0.00 C ATOM 887 CG LYS A 54 3.694 -9.026 8.012 1.00 0.00 C ATOM 888 CD LYS A 54 2.647 -9.992 8.544 1.00 0.00 C ATOM 889 CE LYS A 54 2.262 -11.026 7.499 1.00 0.00 C ATOM 890 NZ LYS A 54 3.410 -11.903 7.136 1.00 0.00 N ATOM 0 H LYS A 54 6.752 -8.226 8.103 1.00 0.00 H new ATOM 0 HA LYS A 54 4.451 -6.474 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.252 -9.077 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.814 -8.216 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.208 -8.251 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.376 -9.556 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.032 -10.495 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.761 -9.437 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.443 -11.638 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.895 -10.520 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.053 -12.806 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.989 -11.435 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.991 -12.081 7.980 1.00 0.00 H new ATOM 904 N SER A 55 6.724 -5.918 10.217 1.00 0.00 N ATOM 905 CA SER A 55 7.140 -5.155 11.390 1.00 0.00 C ATOM 906 C SER A 55 6.937 -3.658 11.173 1.00 0.00 C ATOM 907 O SER A 55 6.677 -2.916 12.120 1.00 0.00 O ATOM 908 CB SER A 55 8.607 -5.440 11.714 1.00 0.00 C ATOM 909 OG SER A 55 9.471 -4.698 10.869 1.00 0.00 O ATOM 0 H SER A 55 7.484 -6.166 9.583 1.00 0.00 H new ATOM 0 HA SER A 55 6.520 -5.466 12.231 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.808 -5.189 12.755 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.808 -6.505 11.599 1.00 0.00 H new ATOM 0 HG SER A 55 10.403 -4.897 11.098 1.00 0.00 H new ATOM 915 N LYS A 56 7.062 -3.221 9.925 1.00 0.00 N ATOM 916 CA LYS A 56 6.895 -1.810 9.593 1.00 0.00 C ATOM 917 C LYS A 56 5.783 -1.612 8.567 1.00 0.00 C ATOM 918 O LYS A 56 5.478 -2.513 7.785 1.00 0.00 O ATOM 919 CB LYS A 56 8.207 -1.233 9.057 1.00 0.00 C ATOM 920 CG LYS A 56 8.519 0.158 9.585 1.00 0.00 C ATOM 921 CD LYS A 56 9.958 0.265 10.067 1.00 0.00 C ATOM 922 CE LYS A 56 10.151 1.462 10.984 1.00 0.00 C ATOM 923 NZ LYS A 56 9.502 1.257 12.309 1.00 0.00 N ATOM 0 H LYS A 56 7.278 -3.821 9.129 1.00 0.00 H new ATOM 0 HA LYS A 56 6.616 -1.282 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.024 -1.905 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.161 -1.198 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.342 0.894 8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.841 0.397 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.235 -0.648 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.625 0.351 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.217 1.643 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.737 2.352 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.885 1.941 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.475 1.397 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.692 0.290 12.643 1.00 0.00 H new ATOM 937 N LYS A 57 5.184 -0.425 8.575 1.00 0.00 N ATOM 938 CA LYS A 57 4.108 -0.102 7.647 1.00 0.00 C ATOM 939 C LYS A 57 4.523 1.030 6.711 1.00 0.00 C ATOM 940 O LYS A 57 5.396 1.831 7.044 1.00 0.00 O ATOM 941 CB LYS A 57 2.845 0.293 8.416 1.00 0.00 C ATOM 942 CG LYS A 57 1.557 -0.024 7.676 1.00 0.00 C ATOM 943 CD LYS A 57 0.353 0.036 8.603 1.00 0.00 C ATOM 944 CE LYS A 57 -0.044 -1.348 9.091 1.00 0.00 C ATOM 945 NZ LYS A 57 -0.486 -1.331 10.513 1.00 0.00 N ATOM 0 H LYS A 57 5.427 0.330 9.216 1.00 0.00 H new ATOM 0 HA LYS A 57 3.897 -0.988 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.839 -0.223 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.878 1.362 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.423 0.683 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.626 -1.017 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.582 0.672 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.487 0.494 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.848 -1.736 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.801 -2.028 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.748 -2.294 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.289 -0.985 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.309 -0.703 10.613 1.00 0.00 H new ATOM 959 N GLY A 58 3.897 1.089 5.541 1.00 0.00 N ATOM 960 CA GLY A 58 4.223 2.129 4.581 1.00 0.00 C ATOM 961 C GLY A 58 3.056 2.484 3.680 1.00 0.00 C ATOM 962 O GLY A 58 1.961 1.944 3.828 1.00 0.00 O ATOM 0 H GLY A 58 3.172 0.438 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.548 3.022 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.063 1.801 3.968 1.00 0.00 H new ATOM 966 N ILE A 59 3.297 3.396 2.743 1.00 0.00 N ATOM 967 CA ILE A 59 2.265 3.829 1.809 1.00 0.00 C ATOM 968 C ILE A 59 2.740 3.690 0.367 1.00 0.00 C ATOM 969 O ILE A 59 3.942 3.707 0.097 1.00 0.00 O ATOM 970 CB ILE A 59 1.850 5.292 2.069 1.00 0.00 C ATOM 971 CG1 ILE A 59 3.092 6.161 2.291 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.911 5.366 3.266 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.779 7.590 2.686 1.00 0.00 C ATOM 0 H ILE A 59 4.201 3.850 2.611 1.00 0.00 H new ATOM 0 HA ILE A 59 1.401 3.184 1.966 1.00 0.00 H new ATOM 0 HB ILE A 59 1.320 5.673 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.707 5.706 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.686 6.169 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.625 6.403 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.019 4.772 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.416 4.976 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.709 8.141 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.190 8.064 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.212 7.594 3.617 1.00 0.00 H new ATOM 985 N PHE A 60 1.795 3.547 -0.555 1.00 0.00 N ATOM 986 CA PHE A 60 2.122 3.400 -1.968 1.00 0.00 C ATOM 987 C PHE A 60 0.924 3.743 -2.847 1.00 0.00 C ATOM 988 O PHE A 60 -0.226 3.604 -2.425 1.00 0.00 O ATOM 989 CB PHE A 60 2.586 1.971 -2.256 1.00 0.00 C ATOM 990 CG PHE A 60 1.608 0.922 -1.807 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.366 0.806 -2.411 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.932 0.051 -0.778 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.533 -0.157 -1.998 1.00 0.00 C ATOM 994 CE2 PHE A 60 1.035 -0.915 -0.362 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.200 -1.018 -0.973 1.00 0.00 C ATOM 0 H PHE A 60 0.796 3.530 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 60 2.929 4.095 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.758 1.862 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.542 1.801 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.098 1.477 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.896 0.128 -0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.497 -0.236 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.299 -1.589 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.903 -1.771 -0.649 1.00 0.00 H new ATOM 1005 N PRO A 61 1.174 4.193 -4.087 1.00 0.00 N ATOM 1006 CA PRO A 61 0.111 4.550 -5.025 1.00 0.00 C ATOM 1007 C PRO A 61 -0.483 3.326 -5.719 1.00 0.00 C ATOM 1008 O PRO A 61 0.229 2.373 -6.034 1.00 0.00 O ATOM 1009 CB PRO A 61 0.832 5.440 -6.032 1.00 0.00 C ATOM 1010 CG PRO A 61 2.227 4.919 -6.059 1.00 0.00 C ATOM 1011 CD PRO A 61 2.514 4.389 -4.676 1.00 0.00 C ATOM 0 HA PRO A 61 -0.734 5.031 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.368 5.382 -7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.805 6.486 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.333 4.132 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.930 5.708 -6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.074 3.455 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.108 5.093 -4.093 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.790 3.364 -5.951 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.488 2.259 -6.606 1.00 0.00 C ATOM 1021 C ALA A 62 -2.092 2.128 -8.078 1.00 0.00 C ATOM 1022 O ALA A 62 -2.455 1.154 -8.738 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.993 2.448 -6.486 1.00 0.00 C ATOM 0 H ALA A 62 -2.390 4.148 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.195 1.338 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.504 1.620 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.274 2.474 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.281 3.385 -6.962 1.00 0.00 H new ATOM 1029 N SER A 63 -1.363 3.115 -8.588 1.00 0.00 N ATOM 1030 CA SER A 63 -0.936 3.115 -9.986 1.00 0.00 C ATOM 1031 C SER A 63 -0.295 1.786 -10.392 1.00 0.00 C ATOM 1032 O SER A 63 -0.295 1.431 -11.571 1.00 0.00 O ATOM 1033 CB SER A 63 0.048 4.259 -10.235 1.00 0.00 C ATOM 1034 OG SER A 63 1.185 4.145 -9.396 1.00 0.00 O ATOM 0 H SER A 63 -1.054 3.928 -8.054 1.00 0.00 H new ATOM 0 HA SER A 63 -1.827 3.254 -10.598 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.361 4.253 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.446 5.214 -10.055 1.00 0.00 H new ATOM 0 HG SER A 63 1.800 4.887 -9.575 1.00 0.00 H new ATOM 1040 N TYR A 64 0.253 1.056 -9.424 1.00 0.00 N ATOM 1041 CA TYR A 64 0.893 -0.224 -9.720 1.00 0.00 C ATOM 1042 C TYR A 64 0.474 -1.312 -8.734 1.00 0.00 C ATOM 1043 O TYR A 64 1.204 -2.278 -8.522 1.00 0.00 O ATOM 1044 CB TYR A 64 2.416 -0.073 -9.713 1.00 0.00 C ATOM 1045 CG TYR A 64 2.979 0.417 -8.396 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.185 -0.459 -7.337 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.312 1.752 -8.216 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.704 -0.016 -6.135 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.832 2.203 -7.016 1.00 0.00 C ATOM 1050 CZ TYR A 64 4.026 1.316 -5.980 1.00 0.00 C ATOM 1051 OH TYR A 64 4.543 1.761 -4.786 1.00 0.00 O ATOM 0 H TYR A 64 0.268 1.324 -8.440 1.00 0.00 H new ATOM 0 HA TYR A 64 0.564 -0.529 -10.713 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.868 -1.035 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.706 0.622 -10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.935 -1.503 -7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.163 2.450 -9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.857 -0.709 -5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.085 3.246 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 64 5.019 2.605 -4.930 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.705 -1.159 -8.139 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.204 -2.144 -7.185 1.00 0.00 C ATOM 1063 C ILE A 65 -2.292 -3.014 -7.806 1.00 0.00 C ATOM 1064 O ILE A 65 -3.069 -2.553 -8.643 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.761 -1.476 -5.913 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.727 -0.523 -5.312 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.167 -2.533 -4.894 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.590 -1.191 -4.979 1.00 0.00 C ATOM 0 H ILE A 65 -1.329 -0.368 -8.299 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.353 -2.769 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.645 -0.898 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.545 0.291 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.139 -0.078 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.559 -2.046 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.935 -3.176 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.298 -3.135 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.275 -0.455 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.421 -1.987 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.024 -1.612 -5.886 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.343 -4.273 -7.386 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.334 -5.213 -7.892 1.00 0.00 C ATOM 1082 C HIS A 66 -3.708 -6.231 -6.818 1.00 0.00 C ATOM 1083 O HIS A 66 -2.888 -7.062 -6.425 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.801 -5.933 -9.132 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.823 -6.790 -9.813 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.661 -6.321 -10.803 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.141 -8.095 -9.643 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.449 -7.299 -11.211 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -5.153 -8.385 -10.523 1.00 0.00 N ATOM 0 H HIS A 66 -1.706 -4.667 -6.693 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.227 -4.652 -8.166 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.430 -5.192 -9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.952 -6.553 -8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.683 -8.780 -8.945 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.206 -7.223 -11.977 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.604 -9.294 -10.628 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.948 -6.156 -6.345 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.426 -7.068 -5.313 1.00 0.00 C ATOM 1100 C LEU A 67 -5.543 -8.492 -5.849 1.00 0.00 C ATOM 1101 O LEU A 67 -5.972 -8.707 -6.983 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.782 -6.601 -4.778 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.795 -5.185 -4.201 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -8.159 -4.859 -3.616 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -5.710 -5.029 -3.146 1.00 0.00 C ATOM 0 H LEU A 67 -5.639 -5.474 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.699 -7.065 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.513 -6.655 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.109 -7.296 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.592 -4.483 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.149 -3.847 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.916 -4.929 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.392 -5.567 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.734 -4.015 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.882 -5.741 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.735 -5.219 -3.596 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.159 -9.461 -5.025 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.220 -10.865 -5.413 1.00 0.00 C ATOM 1119 C LYS A 68 -6.595 -11.452 -5.115 1.00 0.00 C ATOM 1120 O LYS A 68 -7.509 -10.739 -4.698 1.00 0.00 O ATOM 1121 CB LYS A 68 -4.142 -11.665 -4.681 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.733 -11.141 -4.911 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.695 -12.237 -4.728 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.262 -12.822 -6.063 1.00 0.00 C ATOM 1125 NZ LYS A 68 -0.182 -13.834 -5.902 1.00 0.00 N ATOM 0 H LYS A 68 -4.802 -9.299 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.043 -10.928 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.355 -11.653 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.191 -12.705 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.656 -10.730 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.529 -10.325 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.826 -11.834 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.105 -13.027 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.120 -13.282 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.914 -12.021 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.085 -14.208 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.647 -13.390 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.522 -14.612 -5.301 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.737 -12.756 -5.331 1.00 0.00 N ATOM 1140 CA GLU A 69 -8.003 -13.438 -5.085 1.00 0.00 C ATOM 1141 C GLU A 69 -7.809 -14.611 -4.126 1.00 0.00 C ATOM 1142 O GLU A 69 -8.293 -15.716 -4.370 1.00 0.00 O ATOM 1143 CB GLU A 69 -8.606 -13.924 -6.406 1.00 0.00 C ATOM 1144 CG GLU A 69 -9.991 -13.363 -6.685 1.00 0.00 C ATOM 1145 CD GLU A 69 -10.120 -12.790 -8.084 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -9.100 -12.320 -8.628 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -11.241 -12.813 -8.632 1.00 0.00 O ATOM 0 H GLU A 69 -5.992 -13.361 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.691 -12.730 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.940 -13.648 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.660 -15.013 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.732 -14.151 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.217 -12.585 -5.956 1.00 0.00 H new ATOM 1154 N ALA A 70 -7.097 -14.360 -3.030 1.00 0.00 N ATOM 1155 CA ALA A 70 -6.838 -15.391 -2.032 1.00 0.00 C ATOM 1156 C ALA A 70 -6.009 -16.529 -2.622 1.00 0.00 C ATOM 1157 O ALA A 70 -6.381 -17.698 -2.524 1.00 0.00 O ATOM 1158 CB ALA A 70 -8.148 -15.924 -1.469 1.00 0.00 C ATOM 0 H ALA A 70 -6.690 -13.451 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.265 -14.942 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.938 -16.693 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.702 -15.109 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.743 -16.352 -2.276 1.00 0.00 H new ATOM 1164 N ILE A 71 -4.883 -16.176 -3.235 1.00 0.00 N ATOM 1165 CA ILE A 71 -4.000 -17.166 -3.840 1.00 0.00 C ATOM 1166 C ILE A 71 -4.691 -17.889 -4.991 1.00 0.00 C ATOM 1167 O ILE A 71 -5.868 -18.234 -4.903 1.00 0.00 O ATOM 1168 CB ILE A 71 -3.529 -18.207 -2.805 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -3.018 -17.510 -1.544 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -2.447 -19.094 -3.403 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -1.887 -16.538 -1.805 1.00 0.00 C ATOM 0 H ILE A 71 -4.561 -15.212 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.134 -16.625 -4.221 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.377 -18.835 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.844 -16.976 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.681 -18.264 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.124 -19.824 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.844 -19.614 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.597 -18.480 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.576 -16.081 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.044 -17.070 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.226 -15.762 -2.491 1.00 0.00 H new ATOM 1183 N VAL A 72 -3.949 -18.114 -6.072 1.00 0.00 N ATOM 1184 CA VAL A 72 -4.491 -18.796 -7.241 1.00 0.00 C ATOM 1185 C VAL A 72 -4.057 -20.257 -7.274 1.00 0.00 C ATOM 1186 O VAL A 72 -2.883 -20.562 -7.485 1.00 0.00 O ATOM 1187 CB VAL A 72 -4.047 -18.110 -8.548 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -4.597 -16.693 -8.618 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -2.529 -18.109 -8.667 1.00 0.00 C ATOM 0 H VAL A 72 -2.972 -17.834 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.577 -18.744 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.450 -18.675 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.274 -16.223 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.686 -16.723 -8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.225 -16.116 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.237 -17.620 -9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.098 -17.570 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.163 -19.136 -8.667 1.00 0.00 H new ATOM 1199 N GLU A 73 -5.012 -21.158 -7.064 1.00 0.00 N ATOM 1200 CA GLU A 73 -4.728 -22.587 -7.070 1.00 0.00 C ATOM 1201 C GLU A 73 -5.919 -23.377 -7.606 1.00 0.00 C ATOM 1202 O GLU A 73 -7.070 -23.071 -7.294 1.00 0.00 O ATOM 1203 CB GLU A 73 -4.376 -23.065 -5.659 1.00 0.00 C ATOM 1204 CG GLU A 73 -3.235 -24.068 -5.624 1.00 0.00 C ATOM 1205 CD GLU A 73 -2.266 -23.809 -4.488 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -2.112 -22.634 -4.094 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -1.659 -24.783 -3.991 1.00 0.00 O ATOM 0 H GLU A 73 -5.989 -20.923 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.876 -22.760 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.109 -22.203 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.259 -23.516 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.643 -25.074 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.696 -24.033 -6.571 1.00 0.00 H new ATOM 1214 N GLY A 74 -5.633 -24.394 -8.412 1.00 0.00 N ATOM 1215 CA GLY A 74 -6.690 -25.212 -8.977 1.00 0.00 C ATOM 1216 C GLY A 74 -6.199 -26.098 -10.104 1.00 0.00 C ATOM 1217 O GLY A 74 -5.990 -27.307 -9.861 1.00 0.00 O ATOM 1218 OXT GLY A 74 -6.022 -25.588 -11.229 1.00 0.00 O ATOM 0 H GLY A 74 -4.688 -24.666 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.123 -25.833 -8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.486 -24.566 -9.347 1.00 0.00 H new TER 1222 GLY A 74