USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 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= -2.46 X(o=-2.5,f=-2.7) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0645 (180deg=-0.732) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00983 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 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 :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 20 TYR OH : rot 135:sc= -0.693 USER MOD Single : A 29 SER OG : rot 180:sc= -1.01 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 167:sc= -2.67 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.921 (180deg=0.878) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= -1.2 (180deg=-1.2) 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 150:sc= -1.34 USER MOD Single : A 66 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.347 (180deg=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.680 7.485 14.352 1.00 0.00 N ATOM 2 CA MET A 1 -13.335 6.872 14.506 1.00 0.00 C ATOM 3 C MET A 1 -12.541 6.947 13.207 1.00 0.00 C ATOM 4 O MET A 1 -11.441 7.500 13.170 1.00 0.00 O ATOM 5 CB MET A 1 -13.511 5.414 14.936 1.00 0.00 C ATOM 6 CG MET A 1 -14.188 5.256 16.288 1.00 0.00 C ATOM 7 SD MET A 1 -14.760 3.572 16.586 1.00 0.00 S ATOM 8 CE MET A 1 -16.244 3.884 17.540 1.00 0.00 C ATOM 0 H1 MET A 1 -15.024 7.806 15.280 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.619 8.297 13.706 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.340 6.781 13.963 1.00 0.00 H new ATOM 0 HA MET A 1 -12.776 7.422 15.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.098 4.890 14.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.533 4.933 14.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.491 5.543 17.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.035 5.939 16.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.714 2.936 17.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.984 4.424 18.451 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.938 4.482 16.949 1.00 0.00 H new ATOM 20 N THR A 2 -13.104 6.387 12.140 1.00 0.00 N ATOM 21 CA THR A 2 -12.447 6.392 10.837 1.00 0.00 C ATOM 22 C THR A 2 -12.200 7.819 10.359 1.00 0.00 C ATOM 23 O THR A 2 -13.016 8.711 10.589 1.00 0.00 O ATOM 24 CB THR A 2 -13.294 5.637 9.813 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.662 5.982 9.943 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.186 4.133 9.937 1.00 0.00 C ATOM 0 H THR A 2 -14.013 5.924 12.152 1.00 0.00 H new ATOM 0 HA THR A 2 -11.484 5.891 10.940 1.00 0.00 H new ATOM 0 HB THR A 2 -12.902 5.933 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.188 5.490 9.278 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.812 3.660 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.149 3.829 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.519 3.825 10.928 1.00 0.00 H new ATOM 34 N ARG A 3 -11.069 8.027 9.692 1.00 0.00 N ATOM 35 CA ARG A 3 -10.715 9.347 9.181 1.00 0.00 C ATOM 36 C ARG A 3 -9.989 9.240 7.844 1.00 0.00 C ATOM 37 O ARG A 3 -10.305 9.958 6.896 1.00 0.00 O ATOM 38 CB ARG A 3 -9.843 10.095 10.192 1.00 0.00 C ATOM 39 CG ARG A 3 -8.779 9.225 10.846 1.00 0.00 C ATOM 40 CD ARG A 3 -8.908 9.219 12.363 1.00 0.00 C ATOM 41 NE ARG A 3 -7.773 9.873 13.011 1.00 0.00 N ATOM 42 CZ ARG A 3 -7.633 11.193 13.109 1.00 0.00 C ATOM 43 NH1 ARG A 3 -8.557 12.005 12.605 1.00 0.00 N ATOM 44 NH2 ARG A 3 -6.570 11.705 13.712 1.00 0.00 N ATOM 0 H ARG A 3 -10.383 7.299 9.493 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.638 9.906 9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.357 10.932 9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.482 10.516 10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.862 8.205 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.790 9.588 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.830 9.724 12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.984 8.191 12.716 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.044 9.283 13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.378 11.617 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.445 13.016 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.858 11.087 14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.464 12.717 13.786 1.00 0.00 H new ATOM 58 N TRP A 4 -9.014 8.338 7.773 1.00 0.00 N ATOM 59 CA TRP A 4 -8.246 8.140 6.550 1.00 0.00 C ATOM 60 C TRP A 4 -8.330 6.690 6.082 1.00 0.00 C ATOM 61 O TRP A 4 -7.428 6.197 5.404 1.00 0.00 O ATOM 62 CB TRP A 4 -6.781 8.529 6.770 1.00 0.00 C ATOM 63 CG TRP A 4 -6.025 8.763 5.496 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.083 9.867 4.701 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.097 7.871 4.870 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.248 9.720 3.619 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.631 8.499 3.700 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.620 6.603 5.188 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.706 7.897 2.848 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.702 6.003 4.346 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.253 6.651 3.186 1.00 0.00 C ATOM 0 H TRP A 4 -8.738 7.734 8.547 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.674 8.780 5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.741 9.433 7.378 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.286 7.741 7.337 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.697 10.734 4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.110 10.407 2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.961 6.096 6.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.360 8.396 1.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.325 5.020 4.585 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.536 6.157 2.547 1.00 0.00 H new ATOM 82 N VAL A 5 -9.416 6.009 6.443 1.00 0.00 N ATOM 83 CA VAL A 5 -9.596 4.617 6.049 1.00 0.00 C ATOM 84 C VAL A 5 -10.974 4.382 5.432 1.00 0.00 C ATOM 85 O VAL A 5 -11.928 4.035 6.127 1.00 0.00 O ATOM 86 CB VAL A 5 -9.409 3.670 7.253 1.00 0.00 C ATOM 87 CG1 VAL A 5 -10.420 3.983 8.346 1.00 0.00 C ATOM 88 CG2 VAL A 5 -9.516 2.216 6.815 1.00 0.00 C ATOM 0 H VAL A 5 -10.177 6.395 7.002 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.835 4.400 5.300 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.411 3.828 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.270 3.304 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.285 5.011 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.430 3.859 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.381 1.565 7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.498 2.039 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.745 2.001 6.075 1.00 0.00 H new ATOM 98 N PRO A 6 -11.091 4.564 4.105 1.00 0.00 N ATOM 99 CA PRO A 6 -12.340 4.370 3.380 1.00 0.00 C ATOM 100 C PRO A 6 -12.469 2.961 2.803 1.00 0.00 C ATOM 101 O PRO A 6 -13.544 2.561 2.353 1.00 0.00 O ATOM 102 CB PRO A 6 -12.208 5.392 2.258 1.00 0.00 C ATOM 103 CG PRO A 6 -10.745 5.423 1.945 1.00 0.00 C ATOM 104 CD PRO A 6 -10.013 4.988 3.199 1.00 0.00 C ATOM 0 HA PRO A 6 -13.220 4.491 4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.794 5.101 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.567 6.372 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.515 4.757 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.436 6.425 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.319 4.173 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.430 5.804 3.625 1.00 0.00 H new ATOM 112 N THR A 7 -11.367 2.214 2.810 1.00 0.00 N ATOM 113 CA THR A 7 -11.356 0.854 2.280 1.00 0.00 C ATOM 114 C THR A 7 -12.203 -0.079 3.136 1.00 0.00 C ATOM 115 O THR A 7 -11.720 -0.649 4.114 1.00 0.00 O ATOM 116 CB THR A 7 -9.923 0.321 2.198 1.00 0.00 C ATOM 117 OG1 THR A 7 -9.923 -1.077 1.967 1.00 0.00 O ATOM 118 CG2 THR A 7 -9.116 0.577 3.452 1.00 0.00 C ATOM 0 H THR A 7 -10.469 2.529 3.178 1.00 0.00 H new ATOM 0 HA THR A 7 -11.784 0.887 1.278 1.00 0.00 H new ATOM 0 HB THR A 7 -9.460 0.860 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.999 -1.400 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.111 0.174 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.057 1.650 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.598 0.091 4.300 1.00 0.00 H new ATOM 126 N LYS A 8 -13.467 -0.238 2.758 1.00 0.00 N ATOM 127 CA LYS A 8 -14.374 -1.115 3.490 1.00 0.00 C ATOM 128 C LYS A 8 -14.048 -2.575 3.201 1.00 0.00 C ATOM 129 O LYS A 8 -14.670 -3.204 2.344 1.00 0.00 O ATOM 130 CB LYS A 8 -15.825 -0.815 3.108 1.00 0.00 C ATOM 131 CG LYS A 8 -16.067 -0.796 1.606 1.00 0.00 C ATOM 132 CD LYS A 8 -17.056 -1.871 1.186 1.00 0.00 C ATOM 133 CE LYS A 8 -18.491 -1.380 1.286 1.00 0.00 C ATOM 134 NZ LYS A 8 -19.318 -1.838 0.134 1.00 0.00 N ATOM 0 H LYS A 8 -13.886 0.227 1.952 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.246 -0.933 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.474 -1.563 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.110 0.151 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.445 0.183 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.123 -0.945 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.847 -2.179 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.927 -2.751 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.933 -1.739 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.500 -0.291 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.289 -1.482 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.911 -1.475 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.331 -2.878 0.108 1.00 0.00 H new ATOM 148 N ARG A 9 -13.060 -3.107 3.916 1.00 0.00 N ATOM 149 CA ARG A 9 -12.638 -4.492 3.734 1.00 0.00 C ATOM 150 C ARG A 9 -11.941 -4.668 2.388 1.00 0.00 C ATOM 151 O ARG A 9 -10.725 -4.844 2.329 1.00 0.00 O ATOM 152 CB ARG A 9 -13.836 -5.441 3.838 1.00 0.00 C ATOM 153 CG ARG A 9 -13.492 -6.791 4.446 1.00 0.00 C ATOM 154 CD ARG A 9 -13.193 -7.825 3.373 1.00 0.00 C ATOM 155 NE ARG A 9 -14.411 -8.328 2.744 1.00 0.00 N ATOM 156 CZ ARG A 9 -14.428 -9.003 1.595 1.00 0.00 C ATOM 157 NH1 ARG A 9 -13.297 -9.255 0.950 1.00 0.00 N ATOM 158 NH2 ARG A 9 -15.580 -9.426 1.093 1.00 0.00 N ATOM 0 H ARG A 9 -12.536 -2.598 4.628 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.932 -4.738 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.612 -4.968 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.254 -5.596 2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.628 -6.686 5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.322 -7.135 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.548 -7.383 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.643 -8.656 3.814 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.301 -8.153 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.409 -8.932 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.316 -9.772 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.452 -9.235 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.594 -9.943 0.214 1.00 0.00 H new ATOM 172 N GLU A 10 -12.719 -4.610 1.309 1.00 0.00 N ATOM 173 CA GLU A 10 -12.180 -4.755 -0.041 1.00 0.00 C ATOM 174 C GLU A 10 -11.566 -6.138 -0.249 1.00 0.00 C ATOM 175 O GLU A 10 -12.130 -6.979 -0.947 1.00 0.00 O ATOM 176 CB GLU A 10 -11.139 -3.667 -0.318 1.00 0.00 C ATOM 177 CG GLU A 10 -10.919 -3.398 -1.797 1.00 0.00 C ATOM 178 CD GLU A 10 -11.646 -2.156 -2.276 1.00 0.00 C ATOM 179 OE1 GLU A 10 -11.199 -1.040 -1.943 1.00 0.00 O ATOM 180 OE2 GLU A 10 -12.664 -2.301 -2.987 1.00 0.00 O ATOM 0 H GLU A 10 -13.728 -4.463 1.344 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.006 -4.644 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.453 -2.743 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.191 -3.959 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.852 -3.287 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.258 -4.259 -2.374 1.00 0.00 H new ATOM 187 N GLU A 11 -10.406 -6.367 0.359 1.00 0.00 N ATOM 188 CA GLU A 11 -9.715 -7.646 0.238 1.00 0.00 C ATOM 189 C GLU A 11 -8.596 -7.754 1.269 1.00 0.00 C ATOM 190 O GLU A 11 -8.261 -6.777 1.938 1.00 0.00 O ATOM 191 CB GLU A 11 -9.146 -7.810 -1.173 1.00 0.00 C ATOM 192 CG GLU A 11 -8.872 -9.256 -1.556 1.00 0.00 C ATOM 193 CD GLU A 11 -9.285 -9.568 -2.981 1.00 0.00 C ATOM 194 OE1 GLU A 11 -9.423 -8.619 -3.781 1.00 0.00 O ATOM 195 OE2 GLU A 11 -9.469 -10.763 -3.297 1.00 0.00 O ATOM 0 H GLU A 11 -9.924 -5.682 0.941 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.435 -8.443 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.845 -7.380 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.220 -7.241 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.809 -9.465 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.406 -9.917 -0.873 1.00 0.00 H new ATOM 202 N LYS A 12 -8.024 -8.946 1.393 1.00 0.00 N ATOM 203 CA LYS A 12 -6.943 -9.176 2.345 1.00 0.00 C ATOM 204 C LYS A 12 -5.689 -8.402 1.944 1.00 0.00 C ATOM 205 O LYS A 12 -5.373 -7.368 2.531 1.00 0.00 O ATOM 206 CB LYS A 12 -6.630 -10.672 2.442 1.00 0.00 C ATOM 207 CG LYS A 12 -6.792 -11.235 3.844 1.00 0.00 C ATOM 208 CD LYS A 12 -6.998 -12.741 3.820 1.00 0.00 C ATOM 209 CE LYS A 12 -6.610 -13.379 5.144 1.00 0.00 C ATOM 210 NZ LYS A 12 -7.685 -13.237 6.165 1.00 0.00 N ATOM 0 H LYS A 12 -8.290 -9.766 0.848 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.269 -8.818 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.285 -11.217 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.607 -10.844 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.909 -10.997 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.642 -10.758 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.042 -12.963 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.404 -13.178 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.395 -14.436 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.694 -12.918 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.382 -13.685 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.873 -12.228 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.552 -13.699 5.823 1.00 0.00 H new ATOM 224 N TYR A 13 -4.980 -8.909 0.940 1.00 0.00 N ATOM 225 CA TYR A 13 -3.763 -8.264 0.462 1.00 0.00 C ATOM 226 C TYR A 13 -3.585 -8.479 -1.037 1.00 0.00 C ATOM 227 O TYR A 13 -4.334 -9.232 -1.660 1.00 0.00 O ATOM 228 CB TYR A 13 -2.541 -8.802 1.213 1.00 0.00 C ATOM 229 CG TYR A 13 -2.608 -10.283 1.507 1.00 0.00 C ATOM 230 CD1 TYR A 13 -2.890 -11.200 0.503 1.00 0.00 C ATOM 231 CD2 TYR A 13 -2.385 -10.765 2.791 1.00 0.00 C ATOM 232 CE1 TYR A 13 -2.952 -12.556 0.770 1.00 0.00 C ATOM 233 CE2 TYR A 13 -2.443 -12.117 3.066 1.00 0.00 C ATOM 234 CZ TYR A 13 -2.727 -13.007 2.053 1.00 0.00 C ATOM 235 OH TYR A 13 -2.787 -14.356 2.323 1.00 0.00 O ATOM 0 H TYR A 13 -5.228 -9.764 0.442 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.854 -7.194 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.646 -8.598 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.436 -8.259 2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.064 -10.849 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.163 -10.070 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.175 -13.256 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.267 -12.475 4.070 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.604 -14.508 3.274 1.00 0.00 H new ATOM 245 N GLY A 14 -2.589 -7.814 -1.611 1.00 0.00 N ATOM 246 CA GLY A 14 -2.329 -7.944 -3.032 1.00 0.00 C ATOM 247 C GLY A 14 -0.852 -7.866 -3.360 1.00 0.00 C ATOM 248 O GLY A 14 -0.005 -8.133 -2.507 1.00 0.00 O ATOM 0 H GLY A 14 -1.956 -7.186 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.727 -8.895 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.859 -7.157 -3.569 1.00 0.00 H new ATOM 252 N VAL A 15 -0.540 -7.496 -4.598 1.00 0.00 N ATOM 253 CA VAL A 15 0.846 -7.380 -5.033 1.00 0.00 C ATOM 254 C VAL A 15 1.138 -5.984 -5.572 1.00 0.00 C ATOM 255 O VAL A 15 0.236 -5.285 -6.035 1.00 0.00 O ATOM 256 CB VAL A 15 1.185 -8.421 -6.120 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.650 -8.323 -6.522 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.850 -9.824 -5.637 1.00 0.00 C ATOM 0 H VAL A 15 -1.228 -7.272 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 15 1.468 -7.566 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 15 0.578 -8.208 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.867 -9.066 -7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.854 -7.326 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.279 -8.506 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.095 -10.545 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.428 -10.048 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.214 -9.886 -5.408 1.00 0.00 H new ATOM 268 N ALA A 16 2.402 -5.589 -5.508 1.00 0.00 N ATOM 269 CA ALA A 16 2.819 -4.278 -5.990 1.00 0.00 C ATOM 270 C ALA A 16 4.005 -4.399 -6.940 1.00 0.00 C ATOM 271 O ALA A 16 5.079 -4.853 -6.549 1.00 0.00 O ATOM 272 CB ALA A 16 3.174 -3.377 -4.815 1.00 0.00 C ATOM 0 H ALA A 16 3.158 -6.158 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 16 1.988 -3.835 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.484 -2.400 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.303 -3.260 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.989 -3.825 -4.247 1.00 0.00 H new ATOM 278 N PHE A 17 3.808 -3.988 -8.188 1.00 0.00 N ATOM 279 CA PHE A 17 4.873 -4.052 -9.180 1.00 0.00 C ATOM 280 C PHE A 17 5.398 -2.658 -9.503 1.00 0.00 C ATOM 281 O PHE A 17 4.872 -1.970 -10.376 1.00 0.00 O ATOM 282 CB PHE A 17 4.378 -4.738 -10.458 1.00 0.00 C ATOM 283 CG PHE A 17 3.156 -4.100 -11.059 1.00 0.00 C ATOM 284 CD1 PHE A 17 1.897 -4.358 -10.540 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.266 -3.247 -12.145 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.772 -3.777 -11.093 1.00 0.00 C ATOM 287 CE2 PHE A 17 2.146 -2.661 -12.702 1.00 0.00 C ATOM 288 CZ PHE A 17 0.897 -2.927 -12.175 1.00 0.00 C ATOM 0 H PHE A 17 2.926 -3.609 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 17 5.689 -4.640 -8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.180 -4.731 -11.196 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.159 -5.782 -10.236 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.794 -5.021 -9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.240 -3.037 -12.562 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.204 -3.987 -10.680 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.247 -1.997 -13.547 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.019 -2.471 -12.608 1.00 0.00 H new ATOM 298 N TYR A 18 6.442 -2.248 -8.790 1.00 0.00 N ATOM 299 CA TYR A 18 7.044 -0.937 -9.001 1.00 0.00 C ATOM 300 C TYR A 18 8.456 -0.883 -8.430 1.00 0.00 C ATOM 301 O TYR A 18 8.906 -1.813 -7.762 1.00 0.00 O ATOM 302 CB TYR A 18 6.180 0.150 -8.359 1.00 0.00 C ATOM 303 CG TYR A 18 6.020 1.382 -9.221 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.138 1.394 -10.294 1.00 0.00 C ATOM 305 CD2 TYR A 18 6.753 2.534 -8.962 1.00 0.00 C ATOM 306 CE1 TYR A 18 4.991 2.518 -11.084 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.611 3.662 -9.747 1.00 0.00 C ATOM 308 CZ TYR A 18 5.730 3.648 -10.807 1.00 0.00 C ATOM 309 OH TYR A 18 5.586 4.770 -11.591 1.00 0.00 O ATOM 0 H TYR A 18 6.888 -2.805 -8.061 1.00 0.00 H new ATOM 0 HA TYR A 18 7.103 -0.762 -10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.195 -0.262 -8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.622 0.439 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.558 0.510 -10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.445 2.548 -8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.300 2.511 -11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.187 4.550 -9.531 1.00 0.00 H new ATOM 0 HH TYR A 18 6.177 5.478 -11.261 1.00 0.00 H new ATOM 319 N ASN A 19 9.146 0.222 -8.690 1.00 0.00 N ATOM 320 CA ASN A 19 10.505 0.414 -8.197 1.00 0.00 C ATOM 321 C ASN A 19 10.577 1.649 -7.303 1.00 0.00 C ATOM 322 O ASN A 19 11.291 2.606 -7.602 1.00 0.00 O ATOM 323 CB ASN A 19 11.481 0.554 -9.368 1.00 0.00 C ATOM 324 CG ASN A 19 11.452 -0.650 -10.290 1.00 0.00 C ATOM 325 OD1 ASN A 19 11.676 -1.832 -9.727 1.00 0.00 O flip ATOM 326 ND2 ASN A 19 11.228 -0.519 -11.493 1.00 0.00 N flip ATOM 0 H ASN A 19 8.785 1.001 -9.241 1.00 0.00 H new ATOM 0 HA ASN A 19 10.786 -0.460 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.235 1.451 -9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.491 0.688 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.061 0.409 -11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.209 -1.338 -12.100 1.00 0.00 H new ATOM 333 N TYR A 20 9.824 1.619 -6.207 1.00 0.00 N ATOM 334 CA TYR A 20 9.791 2.735 -5.269 1.00 0.00 C ATOM 335 C TYR A 20 10.716 2.481 -4.083 1.00 0.00 C ATOM 336 O TYR A 20 10.721 1.392 -3.510 1.00 0.00 O ATOM 337 CB TYR A 20 8.358 2.964 -4.780 1.00 0.00 C ATOM 338 CG TYR A 20 8.188 4.192 -3.910 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.966 5.327 -4.108 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.245 4.216 -2.890 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.808 6.449 -3.316 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.080 5.334 -2.095 1.00 0.00 C ATOM 343 CZ TYR A 20 7.864 6.448 -2.310 1.00 0.00 C ATOM 344 OH TYR A 20 7.702 7.562 -1.520 1.00 0.00 O ATOM 0 H TYR A 20 9.228 0.833 -5.947 1.00 0.00 H new ATOM 0 HA TYR A 20 10.141 3.628 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.700 3.051 -5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.033 2.088 -4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.707 5.332 -4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.630 3.345 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.421 7.322 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.340 5.335 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 20 6.746 7.754 -1.417 1.00 0.00 H new ATOM 354 N ASP A 21 11.495 3.494 -3.722 1.00 0.00 N ATOM 355 CA ASP A 21 12.426 3.384 -2.604 1.00 0.00 C ATOM 356 C ASP A 21 12.094 4.401 -1.517 1.00 0.00 C ATOM 357 O ASP A 21 12.180 5.610 -1.736 1.00 0.00 O ATOM 358 CB ASP A 21 13.863 3.588 -3.087 1.00 0.00 C ATOM 359 CG ASP A 21 14.046 4.899 -3.823 1.00 0.00 C ATOM 360 OD1 ASP A 21 13.678 4.967 -5.016 1.00 0.00 O ATOM 361 OD2 ASP A 21 14.557 5.859 -3.210 1.00 0.00 O ATOM 0 H ASP A 21 11.501 4.402 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 21 12.330 2.384 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.538 3.558 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.143 2.764 -3.744 1.00 0.00 H new ATOM 366 N ALA A 22 11.713 3.904 -0.345 1.00 0.00 N ATOM 367 CA ALA A 22 11.366 4.769 0.776 1.00 0.00 C ATOM 368 C ALA A 22 12.604 5.425 1.373 1.00 0.00 C ATOM 369 O ALA A 22 13.723 4.944 1.193 1.00 0.00 O ATOM 370 CB ALA A 22 10.623 3.977 1.843 1.00 0.00 C ATOM 0 H ALA A 22 11.637 2.906 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 22 10.715 5.559 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.370 4.635 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.709 3.562 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.257 3.166 2.202 1.00 0.00 H new ATOM 376 N ARG A 23 12.396 6.526 2.087 1.00 0.00 N ATOM 377 CA ARG A 23 13.494 7.251 2.714 1.00 0.00 C ATOM 378 C ARG A 23 13.492 7.040 4.225 1.00 0.00 C ATOM 379 O ARG A 23 14.538 7.096 4.872 1.00 0.00 O ATOM 380 CB ARG A 23 13.395 8.744 2.396 1.00 0.00 C ATOM 381 CG ARG A 23 14.707 9.492 2.569 1.00 0.00 C ATOM 382 CD ARG A 23 14.610 10.917 2.049 1.00 0.00 C ATOM 383 NE ARG A 23 15.235 11.875 2.959 1.00 0.00 N ATOM 384 CZ ARG A 23 14.665 12.312 4.079 1.00 0.00 C ATOM 385 NH1 ARG A 23 13.459 11.882 4.432 1.00 0.00 N ATOM 386 NH2 ARG A 23 15.301 13.183 4.851 1.00 0.00 N ATOM 0 H ARG A 23 11.476 6.936 2.246 1.00 0.00 H new ATOM 0 HA ARG A 23 14.430 6.862 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.050 8.866 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.641 9.195 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.982 9.507 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.500 8.964 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.089 10.980 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.562 11.181 1.908 1.00 0.00 H new ATOM 0 HE ARG A 23 16.162 12.229 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.964 11.212 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.028 12.221 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.227 13.518 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.864 13.518 5.710 1.00 0.00 H new ATOM 400 N GLY A 24 12.309 6.797 4.782 1.00 0.00 N ATOM 401 CA GLY A 24 12.192 6.580 6.212 1.00 0.00 C ATOM 402 C GLY A 24 10.994 5.723 6.571 1.00 0.00 C ATOM 403 O GLY A 24 10.443 5.025 5.720 1.00 0.00 O ATOM 0 H GLY A 24 11.429 6.747 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.100 6.102 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.111 7.542 6.717 1.00 0.00 H new ATOM 407 N ALA A 25 10.588 5.777 7.836 1.00 0.00 N ATOM 408 CA ALA A 25 9.447 5.001 8.306 1.00 0.00 C ATOM 409 C ALA A 25 8.140 5.540 7.732 1.00 0.00 C ATOM 410 O ALA A 25 7.172 4.800 7.566 1.00 0.00 O ATOM 411 CB ALA A 25 9.398 5.004 9.826 1.00 0.00 C ATOM 0 H ALA A 25 11.033 6.350 8.553 1.00 0.00 H new ATOM 0 HA ALA A 25 9.570 3.975 7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.541 4.421 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.314 4.564 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.304 6.029 10.185 1.00 0.00 H new ATOM 417 N ASP A 26 8.122 6.836 7.431 1.00 0.00 N ATOM 418 CA ASP A 26 6.933 7.476 6.877 1.00 0.00 C ATOM 419 C ASP A 26 6.497 6.794 5.582 1.00 0.00 C ATOM 420 O ASP A 26 5.304 6.686 5.299 1.00 0.00 O ATOM 421 CB ASP A 26 7.203 8.959 6.619 1.00 0.00 C ATOM 422 CG ASP A 26 6.847 9.826 7.811 1.00 0.00 C ATOM 423 OD1 ASP A 26 5.644 10.101 8.007 1.00 0.00 O ATOM 424 OD2 ASP A 26 7.772 10.231 8.547 1.00 0.00 O ATOM 0 H ASP A 26 8.916 7.462 7.561 1.00 0.00 H new ATOM 0 HA ASP A 26 6.127 7.379 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.256 9.097 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.629 9.285 5.752 1.00 0.00 H new ATOM 429 N GLU A 27 7.470 6.337 4.803 1.00 0.00 N ATOM 430 CA GLU A 27 7.185 5.665 3.539 1.00 0.00 C ATOM 431 C GLU A 27 7.610 4.201 3.596 1.00 0.00 C ATOM 432 O GLU A 27 8.062 3.715 4.633 1.00 0.00 O ATOM 433 CB GLU A 27 7.900 6.374 2.387 1.00 0.00 C ATOM 434 CG GLU A 27 7.005 7.331 1.615 1.00 0.00 C ATOM 435 CD GLU A 27 7.487 8.766 1.683 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.924 9.195 2.772 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.428 9.462 0.647 1.00 0.00 O ATOM 0 H GLU A 27 8.463 6.419 5.023 1.00 0.00 H new ATOM 0 HA GLU A 27 6.109 5.706 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.752 6.926 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.296 5.626 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.958 7.017 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.991 7.273 2.011 1.00 0.00 H new ATOM 444 N LEU A 28 7.464 3.503 2.475 1.00 0.00 N ATOM 445 CA LEU A 28 7.833 2.096 2.396 1.00 0.00 C ATOM 446 C LEU A 28 8.463 1.773 1.044 1.00 0.00 C ATOM 447 O LEU A 28 7.952 2.173 -0.001 1.00 0.00 O ATOM 448 CB LEU A 28 6.605 1.209 2.627 1.00 0.00 C ATOM 449 CG LEU A 28 6.684 0.301 3.856 1.00 0.00 C ATOM 450 CD1 LEU A 28 5.318 -0.284 4.175 1.00 0.00 C ATOM 451 CD2 LEU A 28 7.700 -0.808 3.631 1.00 0.00 C ATOM 0 H LEU A 28 7.092 3.890 1.608 1.00 0.00 H new ATOM 0 HA LEU A 28 8.568 1.895 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.727 1.848 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.453 0.588 1.744 1.00 0.00 H new ATOM 0 HG LEU A 28 7.008 0.899 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.393 -0.927 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.614 0.524 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.965 -0.869 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.745 -1.445 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.403 -1.404 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.682 -0.371 3.449 1.00 0.00 H new ATOM 463 N SER A 29 9.572 1.039 1.074 1.00 0.00 N ATOM 464 CA SER A 29 10.264 0.656 -0.150 1.00 0.00 C ATOM 465 C SER A 29 9.524 -0.478 -0.851 1.00 0.00 C ATOM 466 O SER A 29 9.496 -1.608 -0.364 1.00 0.00 O ATOM 467 CB SER A 29 11.700 0.226 0.163 1.00 0.00 C ATOM 468 OG SER A 29 12.581 0.586 -0.887 1.00 0.00 O ATOM 0 H SER A 29 10.009 0.699 1.931 1.00 0.00 H new ATOM 0 HA SER A 29 10.289 1.520 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.028 0.691 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.735 -0.852 0.317 1.00 0.00 H new ATOM 0 HG SER A 29 13.491 0.302 -0.662 1.00 0.00 H new ATOM 474 N LEU A 30 8.920 -0.168 -1.993 1.00 0.00 N ATOM 475 CA LEU A 30 8.174 -1.166 -2.752 1.00 0.00 C ATOM 476 C LEU A 30 8.978 -1.663 -3.949 1.00 0.00 C ATOM 477 O LEU A 30 9.601 -0.875 -4.664 1.00 0.00 O ATOM 478 CB LEU A 30 6.835 -0.588 -3.218 1.00 0.00 C ATOM 479 CG LEU A 30 5.601 -1.367 -2.760 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.731 -2.837 -3.130 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.399 -1.209 -1.260 1.00 0.00 C ATOM 0 H LEU A 30 8.932 0.762 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 30 7.985 -2.015 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.754 0.437 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.835 -0.544 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 30 4.727 -0.961 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.844 -3.376 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.829 -2.933 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.614 -3.257 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.517 -1.769 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.274 -1.590 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.261 -0.155 -1.020 1.00 0.00 H new ATOM 493 N GLN A 31 8.956 -2.973 -4.161 1.00 0.00 N ATOM 494 CA GLN A 31 9.678 -3.585 -5.270 1.00 0.00 C ATOM 495 C GLN A 31 8.776 -4.549 -6.033 1.00 0.00 C ATOM 496 O GLN A 31 7.817 -5.087 -5.479 1.00 0.00 O ATOM 497 CB GLN A 31 10.915 -4.322 -4.755 1.00 0.00 C ATOM 498 CG GLN A 31 11.793 -3.477 -3.847 1.00 0.00 C ATOM 499 CD GLN A 31 12.400 -4.279 -2.712 1.00 0.00 C ATOM 500 OE1 GLN A 31 13.260 -5.133 -2.930 1.00 0.00 O ATOM 501 NE2 GLN A 31 11.952 -4.010 -1.491 1.00 0.00 N ATOM 0 H GLN A 31 8.444 -3.634 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 31 9.994 -2.794 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.597 -5.213 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.506 -4.661 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.592 -3.027 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.202 -2.660 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.238 -3.294 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.322 -4.519 -0.688 1.00 0.00 H new ATOM 510 N ILE A 32 9.089 -4.765 -7.305 1.00 0.00 N ATOM 511 CA ILE A 32 8.305 -5.665 -8.141 1.00 0.00 C ATOM 512 C ILE A 32 8.429 -7.107 -7.663 1.00 0.00 C ATOM 513 O ILE A 32 9.526 -7.586 -7.375 1.00 0.00 O ATOM 514 CB ILE A 32 8.733 -5.575 -9.619 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.700 -4.121 -10.089 1.00 0.00 C ATOM 516 CG2 ILE A 32 7.833 -6.439 -10.489 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.664 -3.824 -11.217 1.00 0.00 C ATOM 0 H ILE A 32 9.880 -4.329 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 32 7.264 -5.352 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 32 9.753 -5.947 -9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.689 -3.876 -10.413 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.930 -3.470 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.150 -6.363 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.901 -7.477 -10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.802 -6.097 -10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.584 -2.774 -11.497 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.682 -4.036 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.421 -4.448 -12.077 1.00 0.00 H new ATOM 529 N GLY A 33 7.292 -7.791 -7.575 1.00 0.00 N ATOM 530 CA GLY A 33 7.287 -9.170 -7.123 1.00 0.00 C ATOM 531 C GLY A 33 7.014 -9.296 -5.635 1.00 0.00 C ATOM 532 O GLY A 33 6.929 -10.406 -5.107 1.00 0.00 O ATOM 0 H GLY A 33 6.374 -7.414 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.530 -9.727 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.250 -9.627 -7.352 1.00 0.00 H new ATOM 536 N ASP A 34 6.881 -8.158 -4.956 1.00 0.00 N ATOM 537 CA ASP A 34 6.620 -8.149 -3.521 1.00 0.00 C ATOM 538 C ASP A 34 5.127 -8.026 -3.235 1.00 0.00 C ATOM 539 O ASP A 34 4.407 -7.316 -3.937 1.00 0.00 O ATOM 540 CB ASP A 34 7.369 -6.990 -2.859 1.00 0.00 C ATOM 541 CG ASP A 34 8.852 -7.270 -2.713 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.412 -7.971 -3.580 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.453 -6.784 -1.730 1.00 0.00 O ATOM 0 H ASP A 34 6.950 -7.232 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 34 6.973 -9.094 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.229 -6.085 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.940 -6.798 -1.876 1.00 0.00 H new ATOM 548 N THR A 35 4.671 -8.714 -2.194 1.00 0.00 N ATOM 549 CA THR A 35 3.265 -8.673 -1.809 1.00 0.00 C ATOM 550 C THR A 35 3.035 -7.601 -0.749 1.00 0.00 C ATOM 551 O THR A 35 3.817 -7.470 0.193 1.00 0.00 O ATOM 552 CB THR A 35 2.815 -10.035 -1.281 1.00 0.00 C ATOM 553 OG1 THR A 35 3.091 -11.056 -2.223 1.00 0.00 O ATOM 554 CG2 THR A 35 1.336 -10.092 -0.963 1.00 0.00 C ATOM 0 H THR A 35 5.254 -9.306 -1.602 1.00 0.00 H new ATOM 0 HA THR A 35 2.675 -8.427 -2.692 1.00 0.00 H new ATOM 0 HB THR A 35 3.377 -10.188 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.797 -11.920 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.081 -11.085 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.099 -9.349 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.761 -9.883 -1.865 1.00 0.00 H new ATOM 562 N VAL A 36 1.965 -6.831 -0.912 1.00 0.00 N ATOM 563 CA VAL A 36 1.647 -5.765 0.031 1.00 0.00 C ATOM 564 C VAL A 36 0.264 -5.952 0.645 1.00 0.00 C ATOM 565 O VAL A 36 -0.697 -6.280 -0.050 1.00 0.00 O ATOM 566 CB VAL A 36 1.706 -4.384 -0.645 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.144 -3.998 -0.954 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.859 -4.374 -1.910 1.00 0.00 C ATOM 0 H VAL A 36 1.306 -6.924 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 36 2.398 -5.816 0.819 1.00 0.00 H new ATOM 0 HB VAL A 36 1.299 -3.645 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.163 -3.018 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.718 -3.962 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.583 -4.737 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.912 -3.390 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.234 -5.125 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.177 -4.600 -1.656 1.00 0.00 H new ATOM 578 N HIS A 37 0.171 -5.727 1.952 1.00 0.00 N ATOM 579 CA HIS A 37 -1.094 -5.856 2.664 1.00 0.00 C ATOM 580 C HIS A 37 -1.701 -4.478 2.909 1.00 0.00 C ATOM 581 O HIS A 37 -1.204 -3.710 3.732 1.00 0.00 O ATOM 582 CB HIS A 37 -0.884 -6.582 3.994 1.00 0.00 C ATOM 583 CG HIS A 37 -2.140 -7.158 4.572 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.378 -6.568 4.425 1.00 0.00 N ATOM 585 CD2 HIS A 37 -2.345 -8.276 5.308 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.289 -7.298 5.042 1.00 0.00 C ATOM 587 NE2 HIS A 37 -3.688 -8.340 5.586 1.00 0.00 N ATOM 0 H HIS A 37 0.959 -5.454 2.540 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.781 -6.441 2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.160 -7.384 3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.450 -5.887 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.592 -8.985 5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.346 -7.080 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.147 -9.074 6.126 1.00 0.00 H new ATOM 596 N ILE A 38 -2.772 -4.174 2.186 1.00 0.00 N ATOM 597 CA ILE A 38 -3.443 -2.886 2.316 1.00 0.00 C ATOM 598 C ILE A 38 -4.120 -2.745 3.675 1.00 0.00 C ATOM 599 O ILE A 38 -4.737 -3.684 4.176 1.00 0.00 O ATOM 600 CB ILE A 38 -4.490 -2.684 1.201 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.837 -2.853 -0.175 1.00 0.00 C ATOM 602 CG2 ILE A 38 -5.140 -1.313 1.319 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.593 -3.788 -1.092 1.00 0.00 C ATOM 0 H ILE A 38 -3.195 -4.802 1.503 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.674 -2.119 2.224 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.267 -3.440 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.756 -1.876 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.822 -3.229 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.875 -1.189 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.634 -1.227 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.377 -0.540 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.073 -3.860 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.652 -4.776 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.600 -3.403 -1.255 1.00 0.00 H new ATOM 615 N LEU A 39 -4.001 -1.558 4.263 1.00 0.00 N ATOM 616 CA LEU A 39 -4.599 -1.276 5.562 1.00 0.00 C ATOM 617 C LEU A 39 -5.533 -0.072 5.469 1.00 0.00 C ATOM 618 O LEU A 39 -6.652 -0.099 5.982 1.00 0.00 O ATOM 619 CB LEU A 39 -3.504 -1.014 6.602 1.00 0.00 C ATOM 620 CG LEU A 39 -3.999 -0.745 8.025 1.00 0.00 C ATOM 621 CD1 LEU A 39 -4.504 0.683 8.156 1.00 0.00 C ATOM 622 CD2 LEU A 39 -5.090 -1.737 8.413 1.00 0.00 C ATOM 0 H LEU A 39 -3.493 -0.773 3.857 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.180 -2.144 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.835 -1.875 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.912 -0.159 6.274 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.160 -0.876 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.851 0.854 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.696 1.377 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.328 0.843 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.428 -1.528 9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.930 -1.642 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.694 -2.751 8.364 1.00 0.00 H new ATOM 634 N GLU A 40 -5.061 0.978 4.805 1.00 0.00 N ATOM 635 CA GLU A 40 -5.844 2.195 4.630 1.00 0.00 C ATOM 636 C GLU A 40 -5.784 2.658 3.179 1.00 0.00 C ATOM 637 O GLU A 40 -4.850 2.322 2.455 1.00 0.00 O ATOM 638 CB GLU A 40 -5.321 3.299 5.553 1.00 0.00 C ATOM 639 CG GLU A 40 -6.114 3.444 6.840 1.00 0.00 C ATOM 640 CD GLU A 40 -5.225 3.581 8.061 1.00 0.00 C ATOM 641 OE1 GLU A 40 -4.100 4.105 7.920 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.653 3.164 9.158 1.00 0.00 O ATOM 0 H GLU A 40 -4.135 1.010 4.378 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.881 1.981 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.280 3.092 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.339 4.248 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.762 4.318 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.762 2.576 6.963 1.00 0.00 H new ATOM 649 N THR A 41 -6.780 3.429 2.757 1.00 0.00 N ATOM 650 CA THR A 41 -6.821 3.926 1.385 1.00 0.00 C ATOM 651 C THR A 41 -7.275 5.381 1.334 1.00 0.00 C ATOM 652 O THR A 41 -7.629 5.968 2.356 1.00 0.00 O ATOM 653 CB THR A 41 -7.746 3.061 0.529 1.00 0.00 C ATOM 654 OG1 THR A 41 -9.058 3.058 1.058 1.00 0.00 O ATOM 655 CG2 THR A 41 -7.292 1.621 0.423 1.00 0.00 C ATOM 0 H THR A 41 -7.565 3.722 3.339 1.00 0.00 H new ATOM 0 HA THR A 41 -5.809 3.871 0.984 1.00 0.00 H new ATOM 0 HB THR A 41 -7.720 3.507 -0.465 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.676 2.681 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.993 1.063 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.300 1.584 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.256 1.177 1.418 1.00 0.00 H new ATOM 663 N TYR A 42 -7.259 5.956 0.134 1.00 0.00 N ATOM 664 CA TYR A 42 -7.668 7.344 -0.058 1.00 0.00 C ATOM 665 C TYR A 42 -7.575 7.742 -1.529 1.00 0.00 C ATOM 666 O TYR A 42 -7.204 8.869 -1.855 1.00 0.00 O ATOM 667 CB TYR A 42 -6.800 8.278 0.788 1.00 0.00 C ATOM 668 CG TYR A 42 -7.282 9.712 0.798 1.00 0.00 C ATOM 669 CD1 TYR A 42 -8.590 10.024 1.144 1.00 0.00 C ATOM 670 CD2 TYR A 42 -6.427 10.753 0.458 1.00 0.00 C ATOM 671 CE1 TYR A 42 -9.032 11.334 1.153 1.00 0.00 C ATOM 672 CE2 TYR A 42 -6.862 12.064 0.465 1.00 0.00 C ATOM 673 CZ TYR A 42 -8.165 12.350 0.814 1.00 0.00 C ATOM 674 OH TYR A 42 -8.602 13.654 0.822 1.00 0.00 O ATOM 0 H TYR A 42 -6.967 5.481 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.706 7.435 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.773 7.906 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.778 8.250 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.273 9.231 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.406 10.534 0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -10.053 11.560 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.184 12.862 0.198 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.867 14.247 0.560 1.00 0.00 H new ATOM 684 N GLU A 43 -7.911 6.809 -2.417 1.00 0.00 N ATOM 685 CA GLU A 43 -7.861 7.065 -3.853 1.00 0.00 C ATOM 686 C GLU A 43 -6.433 7.355 -4.300 1.00 0.00 C ATOM 687 O GLU A 43 -5.931 8.465 -4.126 1.00 0.00 O ATOM 688 CB GLU A 43 -8.773 8.240 -4.218 1.00 0.00 C ATOM 689 CG GLU A 43 -10.169 7.817 -4.644 1.00 0.00 C ATOM 690 CD GLU A 43 -11.014 8.986 -5.113 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.480 9.855 -5.831 1.00 0.00 O ATOM 692 OE2 GLU A 43 -12.213 9.031 -4.761 1.00 0.00 O ATOM 0 H GLU A 43 -8.220 5.870 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.212 6.172 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.851 8.909 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.313 8.809 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.093 7.083 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.667 7.326 -3.808 1.00 0.00 H new ATOM 699 N GLY A 44 -5.780 6.347 -4.870 1.00 0.00 N ATOM 700 CA GLY A 44 -4.412 6.515 -5.325 1.00 0.00 C ATOM 701 C GLY A 44 -3.469 6.841 -4.184 1.00 0.00 C ATOM 702 O GLY A 44 -2.511 7.596 -4.352 1.00 0.00 O ATOM 0 H GLY A 44 -6.173 5.419 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.080 5.602 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.372 7.312 -6.067 1.00 0.00 H new ATOM 706 N TRP A 45 -3.751 6.272 -3.018 1.00 0.00 N ATOM 707 CA TRP A 45 -2.936 6.501 -1.831 1.00 0.00 C ATOM 708 C TRP A 45 -3.391 5.587 -0.699 1.00 0.00 C ATOM 709 O TRP A 45 -4.282 5.941 0.073 1.00 0.00 O ATOM 710 CB TRP A 45 -3.048 7.967 -1.402 1.00 0.00 C ATOM 711 CG TRP A 45 -1.784 8.590 -0.867 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.707 9.777 -0.194 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.431 8.096 -0.957 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.405 10.053 0.139 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.395 9.043 -0.314 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.169 6.956 -1.508 1.00 0.00 C ATOM 717 CZ2 TRP A 45 1.775 8.885 -0.212 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.541 6.805 -1.403 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.329 7.763 -0.760 1.00 0.00 C ATOM 0 H TRP A 45 -4.542 5.646 -2.869 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.895 6.277 -2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.386 8.552 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.821 8.045 -0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.551 10.408 0.042 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.086 10.880 0.644 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.429 6.207 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.386 9.625 0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.011 5.930 -1.826 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.397 7.614 -0.695 1.00 0.00 H new ATOM 730 N TYR A 46 -2.788 4.404 -0.609 1.00 0.00 N ATOM 731 CA TYR A 46 -3.157 3.441 0.426 1.00 0.00 C ATOM 732 C TYR A 46 -1.974 3.111 1.331 1.00 0.00 C ATOM 733 O TYR A 46 -0.825 3.088 0.890 1.00 0.00 O ATOM 734 CB TYR A 46 -3.696 2.152 -0.207 1.00 0.00 C ATOM 735 CG TYR A 46 -4.527 2.365 -1.456 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.350 3.476 -1.594 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.490 1.445 -2.496 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.113 3.662 -2.731 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.246 1.625 -3.637 1.00 0.00 C ATOM 740 CZ TYR A 46 -6.059 2.735 -3.750 1.00 0.00 C ATOM 741 OH TYR A 46 -6.818 2.919 -4.884 1.00 0.00 O ATOM 0 H TYR A 46 -2.047 4.090 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.937 3.899 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.855 1.503 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.301 1.625 0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.394 4.206 -0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.858 0.573 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.749 4.530 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.202 0.901 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.664 2.177 -5.505 1.00 0.00 H new ATOM 751 N ARG A 47 -2.272 2.849 2.600 1.00 0.00 N ATOM 752 CA ARG A 47 -1.249 2.511 3.583 1.00 0.00 C ATOM 753 C ARG A 47 -1.344 1.038 3.967 1.00 0.00 C ATOM 754 O ARG A 47 -2.438 0.505 4.150 1.00 0.00 O ATOM 755 CB ARG A 47 -1.400 3.387 4.829 1.00 0.00 C ATOM 756 CG ARG A 47 -0.415 3.052 5.939 1.00 0.00 C ATOM 757 CD ARG A 47 -1.116 2.462 7.153 1.00 0.00 C ATOM 758 NE ARG A 47 -1.536 3.494 8.099 1.00 0.00 N ATOM 759 CZ ARG A 47 -0.689 4.233 8.812 1.00 0.00 C ATOM 760 NH1 ARG A 47 0.621 4.058 8.692 1.00 0.00 N ATOM 761 NH2 ARG A 47 -1.154 5.149 9.650 1.00 0.00 N ATOM 0 H ARG A 47 -3.221 2.865 2.973 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.271 2.694 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.271 4.431 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.415 3.284 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.326 2.344 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.124 3.953 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.987 1.893 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.447 1.762 7.654 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.536 3.657 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.985 3.354 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.264 4.628 9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.160 5.287 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.506 5.716 10.197 1.00 0.00 H new ATOM 775 N GLY A 48 -0.193 0.383 4.086 1.00 0.00 N ATOM 776 CA GLY A 48 -0.180 -1.022 4.446 1.00 0.00 C ATOM 777 C GLY A 48 1.221 -1.552 4.677 1.00 0.00 C ATOM 778 O GLY A 48 2.200 -0.816 4.556 1.00 0.00 O ATOM 0 H GLY A 48 0.727 0.799 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.773 -1.167 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.657 -1.600 3.655 1.00 0.00 H new ATOM 782 N TYR A 49 1.315 -2.835 5.013 1.00 0.00 N ATOM 783 CA TYR A 49 2.605 -3.468 5.264 1.00 0.00 C ATOM 784 C TYR A 49 2.804 -4.679 4.357 1.00 0.00 C ATOM 785 O TYR A 49 1.847 -5.377 4.018 1.00 0.00 O ATOM 786 CB TYR A 49 2.714 -3.891 6.729 1.00 0.00 C ATOM 787 CG TYR A 49 1.550 -4.732 7.206 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.356 -6.020 6.722 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.647 -4.238 8.138 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.293 -6.791 7.154 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.416 -5.003 8.576 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.589 -6.279 8.082 1.00 0.00 C ATOM 793 OH TYR A 49 -1.648 -7.043 8.515 1.00 0.00 O ATOM 0 H TYR A 49 0.513 -3.457 5.118 1.00 0.00 H new ATOM 0 HA TYR A 49 3.386 -2.740 5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.638 -4.452 6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.786 -2.999 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.046 -6.425 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.778 -3.239 8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.154 -7.789 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.109 -4.604 9.302 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.172 -6.535 9.169 1.00 0.00 H new ATOM 803 N THR A 50 4.052 -4.923 3.969 1.00 0.00 N ATOM 804 CA THR A 50 4.376 -6.051 3.102 1.00 0.00 C ATOM 805 C THR A 50 4.401 -7.355 3.894 1.00 0.00 C ATOM 806 O THR A 50 4.547 -7.347 5.116 1.00 0.00 O ATOM 807 CB THR A 50 5.728 -5.827 2.418 1.00 0.00 C ATOM 808 OG1 THR A 50 6.472 -4.828 3.093 1.00 0.00 O ATOM 809 CG2 THR A 50 5.603 -5.407 0.970 1.00 0.00 C ATOM 0 H THR A 50 4.855 -4.355 4.241 1.00 0.00 H new ATOM 0 HA THR A 50 3.601 -6.125 2.339 1.00 0.00 H new ATOM 0 HB THR A 50 6.235 -6.791 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.333 -4.701 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.597 -5.265 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.076 -6.181 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.046 -4.472 0.909 1.00 0.00 H new ATOM 817 N LEU A 51 4.259 -8.473 3.189 1.00 0.00 N ATOM 818 CA LEU A 51 4.265 -9.784 3.826 1.00 0.00 C ATOM 819 C LEU A 51 5.652 -10.122 4.361 1.00 0.00 C ATOM 820 O LEU A 51 5.788 -10.744 5.414 1.00 0.00 O ATOM 821 CB LEU A 51 3.810 -10.858 2.836 1.00 0.00 C ATOM 822 CG LEU A 51 2.309 -11.155 2.848 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.907 -11.822 4.154 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.513 -9.879 2.631 1.00 0.00 C ATOM 0 H LEU A 51 4.138 -8.497 2.176 1.00 0.00 H new ATOM 0 HA LEU A 51 3.569 -9.756 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.096 -10.548 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.349 -11.781 3.051 1.00 0.00 H new ATOM 0 HG LEU A 51 2.087 -11.842 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.836 -12.026 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.453 -12.758 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.143 -11.161 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.447 -10.108 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.740 -9.169 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.780 -9.443 1.668 1.00 0.00 H new ATOM 836 N ARG A 52 6.680 -9.706 3.628 1.00 0.00 N ATOM 837 CA ARG A 52 8.059 -9.964 4.028 1.00 0.00 C ATOM 838 C ARG A 52 8.357 -9.337 5.386 1.00 0.00 C ATOM 839 O ARG A 52 9.151 -9.866 6.164 1.00 0.00 O ATOM 840 CB ARG A 52 9.027 -9.418 2.977 1.00 0.00 C ATOM 841 CG ARG A 52 9.159 -10.307 1.750 1.00 0.00 C ATOM 842 CD ARG A 52 10.573 -10.848 1.599 1.00 0.00 C ATOM 843 NE ARG A 52 11.413 -9.966 0.792 1.00 0.00 N ATOM 844 CZ ARG A 52 11.374 -9.918 -0.537 1.00 0.00 C ATOM 845 NH1 ARG A 52 10.541 -10.700 -1.213 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.172 -9.087 -1.194 1.00 0.00 N ATOM 0 H ARG A 52 6.584 -9.189 2.754 1.00 0.00 H new ATOM 0 HA ARG A 52 8.193 -11.043 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.691 -8.429 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.010 -9.292 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.457 -11.138 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.889 -9.741 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.021 -10.973 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.536 -11.835 1.138 1.00 0.00 H new ATOM 0 HE ARG A 52 12.068 -9.351 1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.926 -11.342 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.516 -10.658 -2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.815 -8.485 -0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.142 -9.050 -2.213 1.00 0.00 H new ATOM 860 N LYS A 53 7.714 -8.208 5.665 1.00 0.00 N ATOM 861 CA LYS A 53 7.909 -7.509 6.929 1.00 0.00 C ATOM 862 C LYS A 53 6.650 -6.747 7.331 1.00 0.00 C ATOM 863 O LYS A 53 6.459 -5.594 6.943 1.00 0.00 O ATOM 864 CB LYS A 53 9.092 -6.544 6.827 1.00 0.00 C ATOM 865 CG LYS A 53 9.072 -5.689 5.569 1.00 0.00 C ATOM 866 CD LYS A 53 10.349 -4.875 5.429 1.00 0.00 C ATOM 867 CE LYS A 53 10.749 -4.712 3.971 1.00 0.00 C ATOM 868 NZ LYS A 53 11.840 -5.648 3.586 1.00 0.00 N ATOM 0 H LYS A 53 7.053 -7.758 5.032 1.00 0.00 H new ATOM 0 HA LYS A 53 8.122 -8.254 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.094 -5.891 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.020 -7.115 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.949 -6.329 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.213 -5.019 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.207 -3.893 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.155 -5.364 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.881 -4.885 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.073 -3.686 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.083 -5.505 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.677 -5.466 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.523 -6.628 3.728 1.00 0.00 H new ATOM 882 N LYS A 54 5.793 -7.401 8.108 1.00 0.00 N ATOM 883 CA LYS A 54 4.551 -6.786 8.563 1.00 0.00 C ATOM 884 C LYS A 54 4.831 -5.645 9.537 1.00 0.00 C ATOM 885 O LYS A 54 4.056 -4.693 9.632 1.00 0.00 O ATOM 886 CB LYS A 54 3.654 -7.831 9.229 1.00 0.00 C ATOM 887 CG LYS A 54 3.209 -8.938 8.286 1.00 0.00 C ATOM 888 CD LYS A 54 3.481 -10.315 8.873 1.00 0.00 C ATOM 889 CE LYS A 54 2.909 -11.417 7.995 1.00 0.00 C ATOM 890 NZ LYS A 54 3.949 -12.027 7.120 1.00 0.00 N ATOM 0 H LYS A 54 5.935 -8.356 8.436 1.00 0.00 H new ATOM 0 HA LYS A 54 4.038 -6.378 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.188 -8.274 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.773 -7.335 9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.144 -8.834 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.731 -8.838 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.556 -10.458 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.045 -10.379 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.466 -12.189 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.108 -11.010 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.496 -12.663 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.459 -11.276 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.619 -12.568 7.703 1.00 0.00 H new ATOM 904 N SER A 55 5.943 -5.749 10.260 1.00 0.00 N ATOM 905 CA SER A 55 6.324 -4.726 11.228 1.00 0.00 C ATOM 906 C SER A 55 6.460 -3.363 10.558 1.00 0.00 C ATOM 907 O SER A 55 6.215 -2.328 11.180 1.00 0.00 O ATOM 908 CB SER A 55 7.640 -5.106 11.910 1.00 0.00 C ATOM 909 OG SER A 55 7.631 -4.742 13.278 1.00 0.00 O ATOM 0 H SER A 55 6.595 -6.531 10.194 1.00 0.00 H new ATOM 0 HA SER A 55 5.537 -4.662 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.804 -6.180 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.470 -4.612 11.405 1.00 0.00 H new ATOM 0 HG SER A 55 8.483 -4.998 13.690 1.00 0.00 H new ATOM 915 N LYS A 56 6.853 -3.369 9.290 1.00 0.00 N ATOM 916 CA LYS A 56 7.024 -2.132 8.535 1.00 0.00 C ATOM 917 C LYS A 56 5.694 -1.668 7.946 1.00 0.00 C ATOM 918 O LYS A 56 4.975 -2.447 7.322 1.00 0.00 O ATOM 919 CB LYS A 56 8.049 -2.327 7.418 1.00 0.00 C ATOM 920 CG LYS A 56 8.640 -1.026 6.900 1.00 0.00 C ATOM 921 CD LYS A 56 9.964 -0.705 7.578 1.00 0.00 C ATOM 922 CE LYS A 56 9.772 0.238 8.754 1.00 0.00 C ATOM 923 NZ LYS A 56 9.595 1.649 8.312 1.00 0.00 N ATOM 0 H LYS A 56 7.060 -4.217 8.762 1.00 0.00 H new ATOM 0 HA LYS A 56 7.387 -1.365 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.856 -2.963 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.576 -2.856 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.790 -1.097 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.936 -0.212 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.431 -1.628 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.644 -0.254 6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.901 -0.074 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.634 0.171 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.416 2.252 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.457 1.972 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.788 1.710 7.659 1.00 0.00 H new ATOM 937 N LYS A 57 5.375 -0.393 8.151 1.00 0.00 N ATOM 938 CA LYS A 57 4.132 0.174 7.640 1.00 0.00 C ATOM 939 C LYS A 57 4.401 1.452 6.851 1.00 0.00 C ATOM 940 O LYS A 57 5.161 2.316 7.290 1.00 0.00 O ATOM 941 CB LYS A 57 3.168 0.464 8.792 1.00 0.00 C ATOM 942 CG LYS A 57 1.706 0.483 8.373 1.00 0.00 C ATOM 943 CD LYS A 57 0.950 -0.723 8.912 1.00 0.00 C ATOM 944 CE LYS A 57 -0.229 -0.304 9.778 1.00 0.00 C ATOM 945 NZ LYS A 57 -0.985 -1.478 10.294 1.00 0.00 N ATOM 0 H LYS A 57 5.959 0.265 8.666 1.00 0.00 H new ATOM 0 HA LYS A 57 3.677 -0.556 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.305 -0.289 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.423 1.427 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.236 1.398 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.639 0.498 7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.593 -1.331 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.627 -1.347 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.131 0.293 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.898 0.332 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.780 -1.149 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.350 -2.034 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.354 -2.072 10.869 1.00 0.00 H new ATOM 959 N GLY A 58 3.773 1.566 5.687 1.00 0.00 N ATOM 960 CA GLY A 58 3.955 2.742 4.856 1.00 0.00 C ATOM 961 C GLY A 58 2.818 2.942 3.874 1.00 0.00 C ATOM 962 O GLY A 58 1.806 2.243 3.937 1.00 0.00 O ATOM 0 H GLY A 58 3.140 0.864 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.040 3.623 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.893 2.653 4.308 1.00 0.00 H new ATOM 966 N ILE A 59 2.979 3.900 2.967 1.00 0.00 N ATOM 967 CA ILE A 59 1.953 4.189 1.971 1.00 0.00 C ATOM 968 C ILE A 59 2.477 3.970 0.556 1.00 0.00 C ATOM 969 O ILE A 59 3.680 4.044 0.307 1.00 0.00 O ATOM 970 CB ILE A 59 1.431 5.634 2.102 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.593 6.602 2.359 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.399 5.722 3.217 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.153 8.029 2.607 1.00 0.00 C ATOM 0 H ILE A 59 3.809 4.489 2.901 1.00 0.00 H new ATOM 0 HA ILE A 59 1.131 3.498 2.157 1.00 0.00 H new ATOM 0 HB ILE A 59 0.951 5.919 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.162 6.252 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.267 6.583 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.039 6.747 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.437 5.060 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.856 5.421 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.028 8.655 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.610 8.399 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.504 8.063 3.482 1.00 0.00 H new ATOM 985 N PHE A 60 1.561 3.695 -0.370 1.00 0.00 N ATOM 986 CA PHE A 60 1.923 3.461 -1.763 1.00 0.00 C ATOM 987 C PHE A 60 0.751 3.784 -2.688 1.00 0.00 C ATOM 988 O PHE A 60 -0.409 3.613 -2.314 1.00 0.00 O ATOM 989 CB PHE A 60 2.358 2.007 -1.962 1.00 0.00 C ATOM 990 CG PHE A 60 1.333 1.005 -1.511 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.123 0.881 -2.176 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.580 0.186 -0.421 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.819 -0.039 -1.762 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.639 -0.736 -0.003 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.561 -0.849 -0.675 1.00 0.00 C ATOM 0 H PHE A 60 0.561 3.629 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 60 2.755 4.119 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.575 1.843 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.286 1.836 -1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.085 1.512 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.518 0.269 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.758 -0.125 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.843 -1.368 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.297 -1.570 -0.351 1.00 0.00 H new ATOM 1005 N PRO A 61 1.039 4.258 -3.913 1.00 0.00 N ATOM 1006 CA PRO A 61 0.000 4.602 -4.886 1.00 0.00 C ATOM 1007 C PRO A 61 -0.587 3.371 -5.569 1.00 0.00 C ATOM 1008 O PRO A 61 0.128 2.416 -5.873 1.00 0.00 O ATOM 1009 CB PRO A 61 0.749 5.471 -5.894 1.00 0.00 C ATOM 1010 CG PRO A 61 2.149 4.965 -5.857 1.00 0.00 C ATOM 1011 CD PRO A 61 2.396 4.496 -4.445 1.00 0.00 C ATOM 0 HA PRO A 61 -0.853 5.097 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.320 5.380 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.701 6.525 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.286 4.149 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.853 5.750 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.999 3.588 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.929 5.246 -3.861 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.895 3.403 -5.805 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.590 2.294 -6.449 1.00 0.00 C ATOM 1021 C ALA A 62 -2.209 2.161 -7.924 1.00 0.00 C ATOM 1022 O ALA A 62 -2.569 1.182 -8.578 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.094 2.471 -6.313 1.00 0.00 C ATOM 0 H ALA A 62 -2.497 4.189 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.284 1.377 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.604 1.638 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.363 2.497 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.395 3.405 -6.787 1.00 0.00 H new ATOM 1029 N SER A 63 -1.493 3.153 -8.447 1.00 0.00 N ATOM 1030 CA SER A 63 -1.080 3.149 -9.848 1.00 0.00 C ATOM 1031 C SER A 63 -0.429 1.825 -10.250 1.00 0.00 C ATOM 1032 O SER A 63 -0.427 1.466 -11.428 1.00 0.00 O ATOM 1033 CB SER A 63 -0.111 4.302 -10.113 1.00 0.00 C ATOM 1034 OG SER A 63 1.071 4.162 -9.343 1.00 0.00 O ATOM 0 H SER A 63 -1.186 3.971 -7.921 1.00 0.00 H new ATOM 0 HA SER A 63 -1.978 3.275 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.143 4.332 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.594 5.249 -9.874 1.00 0.00 H new ATOM 0 HG SER A 63 1.675 4.910 -9.532 1.00 0.00 H new ATOM 1040 N TYR A 64 0.129 1.104 -9.281 1.00 0.00 N ATOM 1041 CA TYR A 64 0.780 -0.171 -9.572 1.00 0.00 C ATOM 1042 C TYR A 64 0.351 -1.271 -8.601 1.00 0.00 C ATOM 1043 O TYR A 64 1.027 -2.291 -8.477 1.00 0.00 O ATOM 1044 CB TYR A 64 2.301 -0.007 -9.532 1.00 0.00 C ATOM 1045 CG TYR A 64 2.834 0.453 -8.193 1.00 0.00 C ATOM 1046 CD1 TYR A 64 2.936 -0.425 -7.122 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.240 1.768 -8.002 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.425 -0.006 -5.898 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.731 2.194 -6.784 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.822 1.303 -5.735 1.00 0.00 C ATOM 1051 OH TYR A 64 4.310 1.723 -4.519 1.00 0.00 O ATOM 0 H TYR A 64 0.144 1.376 -8.298 1.00 0.00 H new ATOM 0 HA TYR A 64 0.469 -0.474 -10.572 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.766 -0.959 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.599 0.710 -10.296 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.628 -1.453 -7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.170 2.469 -8.821 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.495 -0.701 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.042 3.220 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 64 4.957 2.446 -4.658 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.771 -1.069 -7.920 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.269 -2.064 -6.975 1.00 0.00 C ATOM 1063 C ILE A 65 -2.288 -2.990 -7.633 1.00 0.00 C ATOM 1064 O ILE A 65 -3.061 -2.569 -8.493 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.912 -1.403 -5.737 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.913 -0.469 -5.054 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.403 -2.463 -4.760 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.361 -1.160 -4.621 1.00 0.00 C ATOM 0 H ILE A 65 -1.350 -0.233 -8.002 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.406 -2.648 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.769 -0.815 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.662 0.343 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.387 -0.018 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.853 -1.979 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.145 -3.093 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.562 -3.077 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.023 -0.437 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.122 -1.954 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.857 -1.587 -5.492 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.278 -4.254 -7.222 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.199 -5.246 -7.766 1.00 0.00 C ATOM 1082 C HIS A 66 -3.580 -6.270 -6.702 1.00 0.00 C ATOM 1083 O HIS A 66 -2.737 -7.036 -6.234 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.570 -5.951 -8.969 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.474 -6.956 -9.615 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.278 -6.662 -10.695 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -3.698 -8.262 -9.326 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -4.958 -7.740 -11.043 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -4.622 -8.724 -10.229 1.00 0.00 N ATOM 0 H HIS A 66 -1.641 -4.616 -6.513 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.103 -4.730 -8.090 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.284 -5.203 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.655 -6.450 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.236 -8.832 -8.533 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.668 -7.805 -11.855 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.990 -9.675 -10.266 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.853 -6.277 -6.322 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.344 -7.207 -5.309 1.00 0.00 C ATOM 1100 C LEU A 67 -5.080 -8.651 -5.722 1.00 0.00 C ATOM 1101 O LEU A 67 -5.198 -9.004 -6.895 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.842 -6.996 -5.077 1.00 0.00 C ATOM 1103 CG LEU A 67 -7.201 -5.760 -4.249 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.470 -5.779 -2.916 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -6.875 -4.489 -5.019 1.00 0.00 C ATOM 0 H LEU A 67 -5.564 -5.650 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.808 -7.010 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.337 -6.922 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.245 -7.878 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.273 -5.778 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.738 -4.892 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.753 -6.672 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.394 -5.786 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.137 -3.620 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.809 -4.465 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.445 -4.470 -5.948 1.00 0.00 H new ATOM 1117 N LYS A 68 -4.720 -9.482 -4.749 1.00 0.00 N ATOM 1118 CA LYS A 68 -4.437 -10.889 -5.009 1.00 0.00 C ATOM 1119 C LYS A 68 -5.707 -11.728 -4.908 1.00 0.00 C ATOM 1120 O LYS A 68 -6.797 -11.199 -4.692 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.387 -11.411 -4.025 1.00 0.00 C ATOM 1122 CG LYS A 68 -1.957 -11.201 -4.497 1.00 0.00 C ATOM 1123 CD LYS A 68 -1.107 -12.442 -4.273 1.00 0.00 C ATOM 1124 CE LYS A 68 -1.262 -13.437 -5.412 1.00 0.00 C ATOM 1125 NZ LYS A 68 -1.085 -12.791 -6.742 1.00 0.00 N ATOM 0 H LYS A 68 -4.617 -9.205 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.048 -10.973 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.521 -10.913 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.554 -12.475 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.957 -10.945 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.518 -10.357 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.060 -12.155 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.393 -12.915 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.531 -14.237 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.249 -13.897 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.634 -13.462 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.013 -12.511 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.483 -11.949 -6.641 1.00 0.00 H new ATOM 1139 N GLU A 69 -5.557 -13.040 -5.067 1.00 0.00 N ATOM 1140 CA GLU A 69 -6.693 -13.951 -4.993 1.00 0.00 C ATOM 1141 C GLU A 69 -6.956 -14.380 -3.552 1.00 0.00 C ATOM 1142 O GLU A 69 -6.369 -15.346 -3.065 1.00 0.00 O ATOM 1143 CB GLU A 69 -6.444 -15.182 -5.870 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.594 -15.496 -6.812 1.00 0.00 C ATOM 1145 CD GLU A 69 -7.745 -16.982 -7.072 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -7.409 -17.780 -6.171 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -8.200 -17.349 -8.176 1.00 0.00 O ATOM 0 H GLU A 69 -4.662 -13.494 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.574 -13.424 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.538 -15.025 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.264 -16.045 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.521 -15.109 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.435 -14.980 -7.759 1.00 0.00 H new ATOM 1154 N ALA A 70 -7.841 -13.655 -2.878 1.00 0.00 N ATOM 1155 CA ALA A 70 -8.184 -13.959 -1.495 1.00 0.00 C ATOM 1156 C ALA A 70 -8.750 -15.369 -1.369 1.00 0.00 C ATOM 1157 O ALA A 70 -9.832 -15.661 -1.878 1.00 0.00 O ATOM 1158 CB ALA A 70 -9.177 -12.938 -0.960 1.00 0.00 C ATOM 0 H ALA A 70 -8.334 -12.852 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.272 -13.907 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.424 -13.178 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.736 -11.942 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.084 -12.961 -1.564 1.00 0.00 H new ATOM 1164 N ILE A 71 -8.013 -16.237 -0.687 1.00 0.00 N ATOM 1165 CA ILE A 71 -8.440 -17.618 -0.495 1.00 0.00 C ATOM 1166 C ILE A 71 -8.425 -18.000 0.981 1.00 0.00 C ATOM 1167 O ILE A 71 -7.715 -17.391 1.783 1.00 0.00 O ATOM 1168 CB ILE A 71 -7.551 -18.603 -1.276 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -6.078 -18.219 -1.138 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -7.959 -18.636 -2.741 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -5.496 -18.531 0.224 1.00 0.00 C ATOM 0 H ILE A 71 -7.116 -16.009 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.459 -17.684 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.686 -19.600 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.501 -18.744 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.969 -17.152 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.322 -19.337 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.998 -18.954 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.850 -17.641 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.448 -18.232 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.048 -17.985 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.573 -19.601 0.416 1.00 0.00 H new ATOM 1183 N VAL A 72 -9.210 -19.012 1.334 1.00 0.00 N ATOM 1184 CA VAL A 72 -9.286 -19.475 2.715 1.00 0.00 C ATOM 1185 C VAL A 72 -8.063 -20.311 3.080 1.00 0.00 C ATOM 1186 O VAL A 72 -7.801 -21.346 2.470 1.00 0.00 O ATOM 1187 CB VAL A 72 -10.562 -20.307 2.960 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -10.550 -21.576 2.120 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -10.708 -20.637 4.438 1.00 0.00 C ATOM 0 H VAL A 72 -9.803 -19.527 0.683 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.317 -18.588 3.348 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.423 -19.711 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.459 -22.146 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.500 -21.313 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.682 -22.179 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.613 -21.224 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.843 -21.211 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.773 -19.713 5.012 1.00 0.00 H new ATOM 1199 N GLU A 73 -7.319 -19.852 4.081 1.00 0.00 N ATOM 1200 CA GLU A 73 -6.123 -20.556 4.529 1.00 0.00 C ATOM 1201 C GLU A 73 -6.459 -21.554 5.632 1.00 0.00 C ATOM 1202 O GLU A 73 -7.338 -21.310 6.458 1.00 0.00 O ATOM 1203 CB GLU A 73 -5.077 -19.558 5.028 1.00 0.00 C ATOM 1204 CG GLU A 73 -5.601 -18.611 6.096 1.00 0.00 C ATOM 1205 CD GLU A 73 -5.854 -17.214 5.563 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -6.977 -16.956 5.082 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -4.927 -16.378 5.625 1.00 0.00 O ATOM 0 H GLU A 73 -7.523 -18.996 4.597 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.715 -21.106 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.224 -20.107 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.712 -18.974 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.527 -19.012 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.883 -18.559 6.914 1.00 0.00 H new ATOM 1214 N GLY A 74 -5.753 -22.679 5.639 1.00 0.00 N ATOM 1215 CA GLY A 74 -5.989 -23.698 6.645 1.00 0.00 C ATOM 1216 C GLY A 74 -4.804 -24.626 6.822 1.00 0.00 C ATOM 1217 O GLY A 74 -4.922 -25.599 7.596 1.00 0.00 O ATOM 1218 OXT GLY A 74 -3.756 -24.380 6.185 1.00 0.00 O ATOM 0 H GLY A 74 -5.021 -22.904 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.216 -23.218 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.866 -24.283 6.366 1.00 0.00 H new TER 1222 GLY A 74