USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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 21 SER OG : rot 105:sc= 0.0601 USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 1.13 USER MOD Set 2.1: A 36 MET CE :methyl -163:sc= -9.18! (180deg=-10.8!) USER MOD Set 2.2: A 57 TYR OH : rot -15:sc= -0.998 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 59:sc= 1.24 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 14 SER OG : rot -130:sc= 0 USER MOD Single : A 26 SER OG : rot 147:sc= 0.204 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.052) USER MOD Single : A 43 CYS SG : rot -14:sc= 0.454 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0399 USER MOD Single : A 48 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.016) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -155:sc= -0.183 (180deg=-1.36) USER MOD Single : A 54 MET CE :methyl 160:sc= -3.94 (180deg=-5.53!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -1.1 (180deg=-3.18!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -107:sc= 0 (180deg=-1.34!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -12:sc= -0.841 USER MOD Single : A 78 HIS : no HD1:sc= -4.29! K(o=-4.3!,f=-2.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 14:sc= 0.207 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.031 33.070 -4.388 1.00 0.00 N ATOM 2 CA GLY A 1 11.424 31.818 -3.763 1.00 0.00 C ATOM 3 C GLY A 1 11.524 30.696 -4.798 1.00 0.00 C ATOM 4 O GLY A 1 10.535 30.025 -5.088 1.00 0.00 O ATOM 0 H1 GLY A 1 10.970 33.815 -3.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.737 33.338 -5.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.104 32.954 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.384 31.943 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.698 31.547 -2.996 1.00 0.00 H new ATOM 8 N SER A 2 12.727 30.528 -5.327 1.00 0.00 N ATOM 9 CA SER A 2 12.969 29.498 -6.324 1.00 0.00 C ATOM 10 C SER A 2 12.697 28.117 -5.725 1.00 0.00 C ATOM 11 O SER A 2 12.616 27.969 -4.507 1.00 0.00 O ATOM 12 CB SER A 2 14.401 29.574 -6.857 1.00 0.00 C ATOM 13 OG SER A 2 14.765 30.902 -7.223 1.00 0.00 O ATOM 0 H SER A 2 13.545 31.087 -5.084 1.00 0.00 H new ATOM 0 HA SER A 2 12.290 29.664 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.090 29.206 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.501 28.919 -7.723 1.00 0.00 H new ATOM 0 HG SER A 2 15.686 30.908 -7.557 1.00 0.00 H new ATOM 19 N SER A 3 12.564 27.140 -6.610 1.00 0.00 N ATOM 20 CA SER A 3 12.304 25.775 -6.185 1.00 0.00 C ATOM 21 C SER A 3 13.118 25.453 -4.931 1.00 0.00 C ATOM 22 O SER A 3 14.227 25.958 -4.760 1.00 0.00 O ATOM 23 CB SER A 3 12.629 24.779 -7.300 1.00 0.00 C ATOM 24 OG SER A 3 11.808 23.616 -7.233 1.00 0.00 O ATOM 0 H SER A 3 12.631 27.267 -7.620 1.00 0.00 H new ATOM 0 HA SER A 3 11.243 25.686 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.495 25.262 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.677 24.487 -7.232 1.00 0.00 H new ATOM 0 HG SER A 3 12.045 23.006 -7.962 1.00 0.00 H new ATOM 30 N GLY A 4 12.537 24.615 -4.085 1.00 0.00 N ATOM 31 CA GLY A 4 13.196 24.220 -2.852 1.00 0.00 C ATOM 32 C GLY A 4 12.924 22.748 -2.532 1.00 0.00 C ATOM 33 O GLY A 4 13.129 21.878 -3.377 1.00 0.00 O ATOM 0 H GLY A 4 11.617 24.199 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.270 24.384 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.845 24.845 -2.031 1.00 0.00 H new ATOM 37 N SER A 5 12.466 22.516 -1.311 1.00 0.00 N ATOM 38 CA SER A 5 12.165 21.165 -0.869 1.00 0.00 C ATOM 39 C SER A 5 10.689 21.059 -0.480 1.00 0.00 C ATOM 40 O SER A 5 9.988 22.067 -0.407 1.00 0.00 O ATOM 41 CB SER A 5 13.054 20.758 0.307 1.00 0.00 C ATOM 42 OG SER A 5 14.054 19.819 -0.079 1.00 0.00 O ATOM 0 H SER A 5 12.296 23.241 -0.614 1.00 0.00 H new ATOM 0 HA SER A 5 12.367 20.483 -1.694 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.531 21.645 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.437 20.327 1.096 1.00 0.00 H new ATOM 0 HG SER A 5 14.602 19.586 0.699 1.00 0.00 H new ATOM 48 N SER A 6 10.260 19.828 -0.240 1.00 0.00 N ATOM 49 CA SER A 6 8.880 19.578 0.140 1.00 0.00 C ATOM 50 C SER A 6 8.703 18.108 0.527 1.00 0.00 C ATOM 51 O SER A 6 9.497 17.257 0.129 1.00 0.00 O ATOM 52 CB SER A 6 7.921 19.948 -0.993 1.00 0.00 C ATOM 53 OG SER A 6 7.522 21.315 -0.930 1.00 0.00 O ATOM 0 H SER A 6 10.844 18.994 -0.301 1.00 0.00 H new ATOM 0 HA SER A 6 8.642 20.205 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.401 19.754 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.039 19.310 -0.944 1.00 0.00 H new ATOM 0 HG SER A 6 8.314 21.890 -0.987 1.00 0.00 H new ATOM 59 N GLY A 7 7.656 17.855 1.299 1.00 0.00 N ATOM 60 CA GLY A 7 7.364 16.503 1.744 1.00 0.00 C ATOM 61 C GLY A 7 7.024 15.597 0.559 1.00 0.00 C ATOM 62 O GLY A 7 7.864 15.363 -0.309 1.00 0.00 O ATOM 0 H GLY A 7 7.000 18.563 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.223 16.099 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.529 16.519 2.445 1.00 0.00 H new ATOM 66 N GLY A 8 5.791 15.111 0.561 1.00 0.00 N ATOM 67 CA GLY A 8 5.330 14.236 -0.503 1.00 0.00 C ATOM 68 C GLY A 8 5.718 14.790 -1.876 1.00 0.00 C ATOM 69 O GLY A 8 6.224 15.906 -1.978 1.00 0.00 O ATOM 0 H GLY A 8 5.097 15.307 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.759 13.243 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.247 14.125 -0.444 1.00 0.00 H new ATOM 73 N PRO A 9 5.460 13.962 -2.924 1.00 0.00 N ATOM 74 CA PRO A 9 5.776 14.358 -4.285 1.00 0.00 C ATOM 75 C PRO A 9 4.771 15.387 -4.806 1.00 0.00 C ATOM 76 O PRO A 9 3.663 15.498 -4.281 1.00 0.00 O ATOM 77 CB PRO A 9 5.768 13.064 -5.083 1.00 0.00 C ATOM 78 CG PRO A 9 4.996 12.061 -4.242 1.00 0.00 C ATOM 79 CD PRO A 9 4.862 12.633 -2.840 1.00 0.00 C ATOM 0 HA PRO A 9 6.743 14.854 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.294 13.207 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.783 12.716 -5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.013 11.877 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.517 11.104 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.818 12.687 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.378 12.012 -2.108 1.00 0.00 H new ATOM 87 N PRO A 10 5.203 16.132 -5.857 1.00 0.00 N ATOM 88 CA PRO A 10 4.353 17.149 -6.454 1.00 0.00 C ATOM 89 C PRO A 10 3.257 16.512 -7.311 1.00 0.00 C ATOM 90 O PRO A 10 3.272 16.634 -8.535 1.00 0.00 O ATOM 91 CB PRO A 10 5.297 18.030 -7.256 1.00 0.00 C ATOM 92 CG PRO A 10 6.562 17.211 -7.457 1.00 0.00 C ATOM 93 CD PRO A 10 6.508 16.028 -6.504 1.00 0.00 C ATOM 0 HA PRO A 10 3.816 17.738 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.855 18.307 -8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.512 18.957 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.634 16.867 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.445 17.819 -7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.611 15.084 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.316 16.070 -5.774 1.00 0.00 H new ATOM 101 N THR A 11 2.332 15.848 -6.634 1.00 0.00 N ATOM 102 CA THR A 11 1.230 15.193 -7.318 1.00 0.00 C ATOM 103 C THR A 11 -0.071 15.966 -7.096 1.00 0.00 C ATOM 104 O THR A 11 -0.308 16.490 -6.009 1.00 0.00 O ATOM 105 CB THR A 11 1.167 13.743 -6.832 1.00 0.00 C ATOM 106 OG1 THR A 11 1.046 13.857 -5.417 1.00 0.00 O ATOM 107 CG2 THR A 11 2.488 12.999 -7.035 1.00 0.00 C ATOM 0 H THR A 11 2.323 15.749 -5.619 1.00 0.00 H new ATOM 0 HA THR A 11 1.384 15.183 -8.397 1.00 0.00 H new ATOM 0 HB THR A 11 0.371 13.218 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.997 12.962 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.388 11.976 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.739 12.986 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.279 13.504 -6.481 1.00 0.00 H new ATOM 115 N ARG A 12 -0.881 16.012 -8.144 1.00 0.00 N ATOM 116 CA ARG A 12 -2.152 16.712 -8.077 1.00 0.00 C ATOM 117 C ARG A 12 -3.170 16.055 -9.012 1.00 0.00 C ATOM 118 O ARG A 12 -3.873 16.742 -9.752 1.00 0.00 O ATOM 119 CB ARG A 12 -1.992 18.184 -8.463 1.00 0.00 C ATOM 120 CG ARG A 12 -2.591 19.100 -7.394 1.00 0.00 C ATOM 121 CD ARG A 12 -3.836 19.817 -7.921 1.00 0.00 C ATOM 122 NE ARG A 12 -4.195 20.936 -7.022 1.00 0.00 N ATOM 123 CZ ARG A 12 -5.205 21.787 -7.248 1.00 0.00 C ATOM 124 NH1 ARG A 12 -5.962 21.652 -8.345 1.00 0.00 N ATOM 125 NH2 ARG A 12 -5.457 22.773 -6.376 1.00 0.00 N ATOM 0 H ARG A 12 -0.681 15.576 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.508 16.655 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.935 18.416 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.481 18.368 -9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.850 18.514 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.849 19.835 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.650 20.193 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.667 19.115 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.639 21.068 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.770 20.901 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.731 22.300 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.880 22.875 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.226 23.421 -6.547 1.00 0.00 H new ATOM 139 N ARG A 13 -3.217 14.733 -8.948 1.00 0.00 N ATOM 140 CA ARG A 13 -4.137 13.975 -9.780 1.00 0.00 C ATOM 141 C ARG A 13 -4.981 13.035 -8.917 1.00 0.00 C ATOM 142 O ARG A 13 -4.493 12.484 -7.932 1.00 0.00 O ATOM 143 CB ARG A 13 -3.383 13.155 -10.829 1.00 0.00 C ATOM 144 CG ARG A 13 -2.536 12.066 -10.168 1.00 0.00 C ATOM 145 CD ARG A 13 -1.278 12.660 -9.531 1.00 0.00 C ATOM 146 NE ARG A 13 -0.090 11.872 -9.928 1.00 0.00 N ATOM 147 CZ ARG A 13 0.385 11.808 -11.180 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.224 12.485 -12.163 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.469 11.068 -11.448 1.00 0.00 N ATOM 0 H ARG A 13 -2.633 14.167 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.786 14.686 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.093 12.700 -11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.743 13.812 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.125 11.553 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.254 11.319 -10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.157 13.697 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.377 12.663 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 13 0.398 11.345 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.049 13.049 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.137 12.436 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.933 10.553 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.830 11.019 -12.401 1.00 0.00 H new ATOM 163 N SER A 14 -6.234 12.881 -9.319 1.00 0.00 N ATOM 164 CA SER A 14 -7.151 12.017 -8.595 1.00 0.00 C ATOM 165 C SER A 14 -7.119 12.353 -7.103 1.00 0.00 C ATOM 166 O SER A 14 -6.425 13.280 -6.686 1.00 0.00 O ATOM 167 CB SER A 14 -6.808 10.543 -8.815 1.00 0.00 C ATOM 168 OG SER A 14 -6.716 10.217 -10.199 1.00 0.00 O ATOM 0 H SER A 14 -6.636 13.340 -10.137 1.00 0.00 H new ATOM 0 HA SER A 14 -8.157 12.189 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.862 10.314 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.569 9.920 -8.346 1.00 0.00 H new ATOM 0 HG SER A 14 -7.255 9.420 -10.384 1.00 0.00 H new ATOM 174 N ASP A 15 -7.878 11.582 -6.338 1.00 0.00 N ATOM 175 CA ASP A 15 -7.945 11.786 -4.901 1.00 0.00 C ATOM 176 C ASP A 15 -8.577 10.557 -4.245 1.00 0.00 C ATOM 177 O ASP A 15 -9.641 10.653 -3.636 1.00 0.00 O ATOM 178 CB ASP A 15 -8.807 13.002 -4.557 1.00 0.00 C ATOM 179 CG ASP A 15 -8.069 14.342 -4.568 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.240 14.541 -3.654 1.00 0.00 O ATOM 181 OD2 ASP A 15 -8.351 15.138 -5.490 1.00 0.00 O ATOM 0 H ASP A 15 -8.452 10.814 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.931 11.948 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.634 13.054 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.242 12.852 -3.569 1.00 0.00 H new ATOM 186 N PHE A 16 -7.894 9.431 -4.391 1.00 0.00 N ATOM 187 CA PHE A 16 -8.375 8.185 -3.819 1.00 0.00 C ATOM 188 C PHE A 16 -7.215 7.231 -3.529 1.00 0.00 C ATOM 189 O PHE A 16 -6.622 6.671 -4.449 1.00 0.00 O ATOM 190 CB PHE A 16 -9.299 7.544 -4.857 1.00 0.00 C ATOM 191 CG PHE A 16 -10.494 8.416 -5.248 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.392 8.802 -4.303 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.658 8.804 -6.542 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.502 9.611 -4.666 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.768 9.612 -6.905 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.666 9.999 -5.960 1.00 0.00 C ATOM 0 H PHE A 16 -7.012 9.356 -4.897 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.892 8.382 -2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.720 7.316 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.667 6.596 -4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.262 8.494 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.944 8.498 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.215 9.918 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.899 9.919 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.509 10.614 -6.236 1.00 0.00 H new ATOM 206 N ARG A 17 -6.926 7.075 -2.245 1.00 0.00 N ATOM 207 CA ARG A 17 -5.848 6.198 -1.822 1.00 0.00 C ATOM 208 C ARG A 17 -6.323 5.278 -0.696 1.00 0.00 C ATOM 209 O ARG A 17 -7.461 5.384 -0.241 1.00 0.00 O ATOM 210 CB ARG A 17 -4.641 7.004 -1.337 1.00 0.00 C ATOM 211 CG ARG A 17 -5.014 7.886 -0.143 1.00 0.00 C ATOM 212 CD ARG A 17 -4.091 9.104 -0.051 1.00 0.00 C ATOM 213 NE ARG A 17 -3.866 9.462 1.367 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.465 10.671 1.781 1.00 0.00 C ATOM 215 NH1 ARG A 17 -3.241 11.645 0.889 1.00 0.00 N ATOM 216 NH2 ARG A 17 -3.286 10.906 3.088 1.00 0.00 N ATOM 0 H ARG A 17 -7.420 7.541 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.550 5.600 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.836 6.326 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.264 7.626 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.049 8.216 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.949 7.305 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.139 8.887 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.534 9.947 -0.582 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.026 8.743 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.376 11.466 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.936 12.566 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.455 10.164 3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.981 11.827 3.403 1.00 0.00 H new ATOM 230 N VAL A 18 -5.427 4.395 -0.278 1.00 0.00 N ATOM 231 CA VAL A 18 -5.741 3.457 0.786 1.00 0.00 C ATOM 232 C VAL A 18 -4.619 3.478 1.825 1.00 0.00 C ATOM 233 O VAL A 18 -3.442 3.393 1.476 1.00 0.00 O ATOM 234 CB VAL A 18 -5.987 2.065 0.200 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.260 2.044 -0.649 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.779 1.590 -0.611 1.00 0.00 C ATOM 0 H VAL A 18 -4.484 4.310 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.660 3.749 1.294 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.127 1.372 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.411 1.043 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.114 2.318 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.162 2.756 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.980 0.598 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.594 2.286 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.902 1.547 0.034 1.00 0.00 H new ATOM 246 N LEU A 19 -5.022 3.591 3.082 1.00 0.00 N ATOM 247 CA LEU A 19 -4.065 3.625 4.175 1.00 0.00 C ATOM 248 C LEU A 19 -3.801 2.198 4.660 1.00 0.00 C ATOM 249 O LEU A 19 -4.731 1.479 5.022 1.00 0.00 O ATOM 250 CB LEU A 19 -4.545 4.570 5.279 1.00 0.00 C ATOM 251 CG LEU A 19 -4.674 6.044 4.890 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.642 6.942 6.128 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.605 6.437 3.869 1.00 0.00 C ATOM 0 H LEU A 19 -5.999 3.660 3.368 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.112 4.029 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.516 4.221 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.855 4.495 6.119 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.643 6.188 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.735 7.985 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.469 6.681 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.699 6.801 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.719 7.489 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.616 6.274 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.717 5.828 2.972 1.00 0.00 H new ATOM 265 N VAL A 20 -2.528 1.830 4.651 1.00 0.00 N ATOM 266 CA VAL A 20 -2.130 0.502 5.085 1.00 0.00 C ATOM 267 C VAL A 20 -1.320 0.614 6.378 1.00 0.00 C ATOM 268 O VAL A 20 -0.494 1.515 6.522 1.00 0.00 O ATOM 269 CB VAL A 20 -1.369 -0.209 3.963 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.534 -1.366 4.515 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.328 -0.694 2.874 1.00 0.00 C ATOM 0 H VAL A 20 -1.759 2.429 4.350 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.007 -0.107 5.302 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.686 0.510 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.003 -1.854 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.187 -0.982 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.189 -2.087 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.763 -1.196 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.046 -1.391 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.859 0.159 2.451 1.00 0.00 H new ATOM 281 N SER A 21 -1.584 -0.313 7.287 1.00 0.00 N ATOM 282 CA SER A 21 -0.890 -0.330 8.563 1.00 0.00 C ATOM 283 C SER A 21 -0.750 -1.768 9.064 1.00 0.00 C ATOM 284 O SER A 21 -1.726 -2.516 9.097 1.00 0.00 O ATOM 285 CB SER A 21 -1.623 0.524 9.600 1.00 0.00 C ATOM 286 OG SER A 21 -1.552 1.914 9.293 1.00 0.00 O ATOM 0 H SER A 21 -2.270 -1.058 7.165 1.00 0.00 H new ATOM 0 HA SER A 21 0.103 0.095 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.668 0.217 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.191 0.348 10.585 1.00 0.00 H new ATOM 0 HG SER A 21 -2.415 2.216 8.941 1.00 0.00 H new ATOM 292 N GLY A 22 0.473 -2.113 9.441 1.00 0.00 N ATOM 293 CA GLY A 22 0.753 -3.449 9.939 1.00 0.00 C ATOM 294 C GLY A 22 1.712 -4.192 9.006 1.00 0.00 C ATOM 295 O GLY A 22 1.625 -5.411 8.862 1.00 0.00 O ATOM 0 H GLY A 22 1.281 -1.491 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.187 -3.386 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.178 -4.009 10.031 1.00 0.00 H new ATOM 299 N LEU A 23 2.604 -3.426 8.395 1.00 0.00 N ATOM 300 CA LEU A 23 3.578 -3.996 7.479 1.00 0.00 C ATOM 301 C LEU A 23 4.690 -4.674 8.282 1.00 0.00 C ATOM 302 O LEU A 23 4.917 -4.336 9.443 1.00 0.00 O ATOM 303 CB LEU A 23 4.084 -2.931 6.504 1.00 0.00 C ATOM 304 CG LEU A 23 3.129 -2.552 5.371 1.00 0.00 C ATOM 305 CD1 LEU A 23 3.227 -1.059 5.048 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.370 -3.422 4.136 1.00 0.00 C ATOM 0 H LEU A 23 2.673 -2.416 8.516 1.00 0.00 H new ATOM 0 HA LEU A 23 3.116 -4.766 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.319 -2.030 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.017 -3.283 6.064 1.00 0.00 H new ATOM 0 HG LEU A 23 2.109 -2.743 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.538 -0.816 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.968 -0.478 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.245 -0.819 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.678 -3.132 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.394 -3.286 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.210 -4.469 4.392 1.00 0.00 H new ATOM 318 N PRO A 24 5.373 -5.642 7.614 1.00 0.00 N ATOM 319 CA PRO A 24 6.456 -6.370 8.253 1.00 0.00 C ATOM 320 C PRO A 24 7.714 -5.504 8.353 1.00 0.00 C ATOM 321 O PRO A 24 7.779 -4.427 7.763 1.00 0.00 O ATOM 322 CB PRO A 24 6.655 -7.610 7.397 1.00 0.00 C ATOM 323 CG PRO A 24 6.000 -7.303 6.060 1.00 0.00 C ATOM 324 CD PRO A 24 5.132 -6.068 6.239 1.00 0.00 C ATOM 0 HA PRO A 24 6.228 -6.646 9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.715 -7.832 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.200 -8.484 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.757 -7.130 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.397 -8.148 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.404 -5.287 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.079 -6.297 6.074 1.00 0.00 H new ATOM 332 N PRO A 25 8.707 -6.022 9.125 1.00 0.00 N ATOM 333 CA PRO A 25 9.959 -5.308 9.310 1.00 0.00 C ATOM 334 C PRO A 25 10.835 -5.403 8.059 1.00 0.00 C ATOM 335 O PRO A 25 11.819 -4.676 7.929 1.00 0.00 O ATOM 336 CB PRO A 25 10.599 -5.947 10.532 1.00 0.00 C ATOM 337 CG PRO A 25 9.912 -7.291 10.707 1.00 0.00 C ATOM 338 CD PRO A 25 8.665 -7.295 9.839 1.00 0.00 C ATOM 0 HA PRO A 25 9.814 -4.239 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.672 -6.073 10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.465 -5.322 11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.581 -8.102 10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.650 -7.452 11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.667 -8.137 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.762 -7.381 10.443 1.00 0.00 H new ATOM 346 N SER A 26 10.445 -6.304 7.170 1.00 0.00 N ATOM 347 CA SER A 26 11.182 -6.503 5.934 1.00 0.00 C ATOM 348 C SER A 26 10.292 -6.172 4.734 1.00 0.00 C ATOM 349 O SER A 26 10.720 -6.291 3.587 1.00 0.00 O ATOM 350 CB SER A 26 11.703 -7.938 5.828 1.00 0.00 C ATOM 351 OG SER A 26 12.300 -8.381 7.044 1.00 0.00 O ATOM 0 H SER A 26 9.628 -6.905 7.281 1.00 0.00 H new ATOM 0 HA SER A 26 12.041 -5.832 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.881 -8.603 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.434 -8.000 5.022 1.00 0.00 H new ATOM 0 HG SER A 26 12.140 -9.341 7.156 1.00 0.00 H new ATOM 357 N GLY A 27 9.069 -5.763 5.041 1.00 0.00 N ATOM 358 CA GLY A 27 8.115 -5.414 4.002 1.00 0.00 C ATOM 359 C GLY A 27 8.609 -4.221 3.182 1.00 0.00 C ATOM 360 O GLY A 27 9.489 -3.482 3.622 1.00 0.00 O ATOM 0 H GLY A 27 8.717 -5.666 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.957 -6.270 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.152 -5.176 4.453 1.00 0.00 H new ATOM 364 N SER A 28 8.022 -4.069 2.004 1.00 0.00 N ATOM 365 CA SER A 28 8.392 -2.978 1.118 1.00 0.00 C ATOM 366 C SER A 28 7.145 -2.411 0.438 1.00 0.00 C ATOM 367 O SER A 28 6.045 -2.935 0.612 1.00 0.00 O ATOM 368 CB SER A 28 9.405 -3.440 0.069 1.00 0.00 C ATOM 369 OG SER A 28 10.526 -4.092 0.660 1.00 0.00 O ATOM 0 H SER A 28 7.293 -4.683 1.642 1.00 0.00 H new ATOM 0 HA SER A 28 8.860 -2.196 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.918 -4.119 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.748 -2.581 -0.507 1.00 0.00 H new ATOM 0 HG SER A 28 11.149 -4.373 -0.043 1.00 0.00 H new ATOM 375 N TRP A 29 7.357 -1.347 -0.323 1.00 0.00 N ATOM 376 CA TRP A 29 6.263 -0.703 -1.031 1.00 0.00 C ATOM 377 C TRP A 29 6.054 -1.444 -2.353 1.00 0.00 C ATOM 378 O TRP A 29 4.919 -1.668 -2.770 1.00 0.00 O ATOM 379 CB TRP A 29 6.536 0.790 -1.219 1.00 0.00 C ATOM 380 CG TRP A 29 7.790 1.095 -2.042 1.00 0.00 C ATOM 381 CD1 TRP A 29 8.988 1.500 -1.600 1.00 0.00 C ATOM 382 CD2 TRP A 29 7.921 1.001 -3.476 1.00 0.00 C ATOM 383 NE1 TRP A 29 9.879 1.674 -2.640 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.209 1.360 -3.817 1.00 0.00 C ATOM 385 CE3 TRP A 29 6.982 0.624 -4.453 1.00 0.00 C ATOM 386 CZ2 TRP A 29 9.675 1.379 -5.137 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.464 0.648 -5.767 1.00 0.00 C ATOM 388 CH2 TRP A 29 8.758 1.007 -6.127 1.00 0.00 C ATOM 0 H TRP A 29 8.270 -0.915 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 29 5.342 -0.760 -0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.675 1.248 -1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.635 1.257 -0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.227 1.669 -0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 29 10.850 1.977 -2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.969 0.339 -4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 10.688 1.665 -5.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.783 0.368 -6.557 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.054 0.999 -7.166 1.00 0.00 H new ATOM 399 N GLN A 30 7.167 -1.805 -2.975 1.00 0.00 N ATOM 400 CA GLN A 30 7.119 -2.516 -4.241 1.00 0.00 C ATOM 401 C GLN A 30 6.164 -3.707 -4.145 1.00 0.00 C ATOM 402 O GLN A 30 5.063 -3.670 -4.692 1.00 0.00 O ATOM 403 CB GLN A 30 8.517 -2.967 -4.669 1.00 0.00 C ATOM 404 CG GLN A 30 9.343 -1.784 -5.179 1.00 0.00 C ATOM 405 CD GLN A 30 10.837 -2.017 -4.945 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.254 -2.593 -3.954 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.617 -1.537 -5.910 1.00 0.00 N ATOM 0 H GLN A 30 8.107 -1.618 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 30 6.743 -1.835 -5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.026 -3.434 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.436 -3.722 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.156 -1.637 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.030 -0.872 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.202 -1.065 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.630 -1.641 -5.846 1.00 0.00 H new ATOM 416 N ASP A 31 6.621 -4.736 -3.447 1.00 0.00 N ATOM 417 CA ASP A 31 5.821 -5.937 -3.273 1.00 0.00 C ATOM 418 C ASP A 31 4.411 -5.544 -2.826 1.00 0.00 C ATOM 419 O ASP A 31 3.428 -6.138 -3.267 1.00 0.00 O ATOM 420 CB ASP A 31 6.420 -6.847 -2.199 1.00 0.00 C ATOM 421 CG ASP A 31 6.846 -8.232 -2.690 1.00 0.00 C ATOM 422 OD1 ASP A 31 6.109 -8.787 -3.533 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.901 -8.704 -2.212 1.00 0.00 O ATOM 0 H ASP A 31 7.535 -4.763 -2.995 1.00 0.00 H new ATOM 0 HA ASP A 31 5.799 -6.468 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.287 -6.349 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.689 -6.970 -1.400 1.00 0.00 H new ATOM 428 N LEU A 32 4.357 -4.546 -1.957 1.00 0.00 N ATOM 429 CA LEU A 32 3.083 -4.067 -1.446 1.00 0.00 C ATOM 430 C LEU A 32 2.192 -3.652 -2.618 1.00 0.00 C ATOM 431 O LEU A 32 1.026 -4.039 -2.682 1.00 0.00 O ATOM 432 CB LEU A 32 3.303 -2.956 -0.417 1.00 0.00 C ATOM 433 CG LEU A 32 2.082 -2.094 -0.089 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.345 -1.212 1.132 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.647 -1.275 -1.306 1.00 0.00 C ATOM 0 H LEU A 32 5.174 -4.056 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 32 2.561 -4.863 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.661 -3.410 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.097 -2.303 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 32 1.255 -2.756 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.461 -0.610 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.570 -1.841 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.192 -0.556 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.777 -0.671 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.463 -0.622 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.390 -1.948 -2.124 1.00 0.00 H new ATOM 447 N LYS A 33 2.774 -2.871 -3.515 1.00 0.00 N ATOM 448 CA LYS A 33 2.047 -2.399 -4.681 1.00 0.00 C ATOM 449 C LYS A 33 1.457 -3.597 -5.428 1.00 0.00 C ATOM 450 O LYS A 33 0.240 -3.702 -5.577 1.00 0.00 O ATOM 451 CB LYS A 33 2.943 -1.514 -5.550 1.00 0.00 C ATOM 452 CG LYS A 33 2.107 -0.587 -6.434 1.00 0.00 C ATOM 453 CD LYS A 33 2.953 0.570 -6.969 1.00 0.00 C ATOM 454 CE LYS A 33 3.253 0.387 -8.458 1.00 0.00 C ATOM 455 NZ LYS A 33 4.679 0.047 -8.662 1.00 0.00 N ATOM 0 H LYS A 33 3.741 -2.553 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 33 1.212 -1.768 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.600 -0.921 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.582 -2.139 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.689 -1.152 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.267 -0.194 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.427 1.512 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.887 0.631 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.623 -0.402 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.010 1.302 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.865 -0.074 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.275 0.813 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.900 -0.838 -8.162 1.00 0.00 H new ATOM 469 N ASP A 34 2.346 -4.471 -5.876 1.00 0.00 N ATOM 470 CA ASP A 34 1.928 -5.658 -6.603 1.00 0.00 C ATOM 471 C ASP A 34 0.710 -6.272 -5.911 1.00 0.00 C ATOM 472 O ASP A 34 -0.108 -6.929 -6.554 1.00 0.00 O ATOM 473 CB ASP A 34 3.039 -6.710 -6.625 1.00 0.00 C ATOM 474 CG ASP A 34 4.291 -6.312 -7.410 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.117 -5.840 -8.554 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.393 -6.489 -6.848 1.00 0.00 O ATOM 0 H ASP A 34 3.354 -4.381 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 34 1.691 -5.362 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.328 -6.933 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.639 -7.630 -7.050 1.00 0.00 H new ATOM 481 N HIS A 35 0.626 -6.036 -4.610 1.00 0.00 N ATOM 482 CA HIS A 35 -0.479 -6.557 -3.825 1.00 0.00 C ATOM 483 C HIS A 35 -1.662 -5.590 -3.898 1.00 0.00 C ATOM 484 O HIS A 35 -2.762 -5.977 -4.291 1.00 0.00 O ATOM 485 CB HIS A 35 -0.037 -6.845 -2.389 1.00 0.00 C ATOM 486 CG HIS A 35 -1.055 -7.605 -1.573 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.744 -8.754 -0.867 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.381 -7.368 -1.357 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.841 -9.181 -0.259 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.854 -8.321 -0.564 1.00 0.00 N ATOM 0 H HIS A 35 1.306 -5.491 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.807 -7.510 -4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.892 -7.414 -2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.181 -5.900 -1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.949 -6.544 -1.763 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.919 -10.057 0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.817 -8.398 -0.237 1.00 0.00 H new ATOM 498 N MET A 36 -1.397 -4.350 -3.512 1.00 0.00 N ATOM 499 CA MET A 36 -2.426 -3.324 -3.529 1.00 0.00 C ATOM 500 C MET A 36 -3.048 -3.195 -4.921 1.00 0.00 C ATOM 501 O MET A 36 -4.260 -3.029 -5.050 1.00 0.00 O ATOM 502 CB MET A 36 -1.817 -1.983 -3.115 1.00 0.00 C ATOM 503 CG MET A 36 -1.556 -1.942 -1.608 1.00 0.00 C ATOM 504 SD MET A 36 -3.079 -2.210 -0.717 1.00 0.00 S ATOM 505 CE MET A 36 -4.233 -1.433 -1.835 1.00 0.00 C ATOM 0 H MET A 36 -0.484 -4.033 -3.186 1.00 0.00 H new ATOM 0 HA MET A 36 -3.209 -3.609 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.883 -1.821 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.490 -1.172 -3.393 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.827 -2.705 -1.336 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.128 -0.979 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.170 -1.238 -1.313 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.815 -0.492 -2.194 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.420 -2.093 -2.682 1.00 0.00 H new ATOM 515 N ARG A 37 -2.190 -3.276 -5.928 1.00 0.00 N ATOM 516 CA ARG A 37 -2.641 -3.170 -7.305 1.00 0.00 C ATOM 517 C ARG A 37 -3.935 -3.961 -7.503 1.00 0.00 C ATOM 518 O ARG A 37 -4.726 -3.652 -8.393 1.00 0.00 O ATOM 519 CB ARG A 37 -1.578 -3.693 -8.274 1.00 0.00 C ATOM 520 CG ARG A 37 -0.231 -3.008 -8.032 1.00 0.00 C ATOM 521 CD ARG A 37 0.221 -2.234 -9.271 1.00 0.00 C ATOM 522 NE ARG A 37 0.300 -3.143 -10.436 1.00 0.00 N ATOM 523 CZ ARG A 37 0.834 -2.807 -11.618 1.00 0.00 C ATOM 524 NH1 ARG A 37 1.341 -1.579 -11.798 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.863 -3.697 -12.618 1.00 0.00 N ATOM 0 H ARG A 37 -1.185 -3.414 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.821 -2.116 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.469 -4.771 -8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.899 -3.519 -9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.312 -2.328 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.519 -3.755 -7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.478 -1.424 -9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.194 -1.777 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.076 -4.085 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.320 -0.902 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.748 -1.322 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.478 -4.632 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.270 -3.440 -13.518 1.00 0.00 H new ATOM 539 N GLU A 38 -4.111 -4.967 -6.659 1.00 0.00 N ATOM 540 CA GLU A 38 -5.295 -5.805 -6.729 1.00 0.00 C ATOM 541 C GLU A 38 -6.492 -4.992 -7.226 1.00 0.00 C ATOM 542 O GLU A 38 -7.292 -5.480 -8.023 1.00 0.00 O ATOM 543 CB GLU A 38 -5.594 -6.448 -5.374 1.00 0.00 C ATOM 544 CG GLU A 38 -5.207 -7.929 -5.372 1.00 0.00 C ATOM 545 CD GLU A 38 -5.878 -8.672 -6.529 1.00 0.00 C ATOM 546 OE1 GLU A 38 -7.094 -8.932 -6.407 1.00 0.00 O ATOM 547 OE2 GLU A 38 -5.159 -8.963 -7.509 1.00 0.00 O ATOM 0 H GLU A 38 -3.452 -5.221 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.105 -6.608 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.046 -5.924 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.655 -6.345 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.124 -8.026 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.499 -8.384 -4.425 1.00 0.00 H new ATOM 554 N ALA A 39 -6.578 -3.764 -6.734 1.00 0.00 N ATOM 555 CA ALA A 39 -7.664 -2.878 -7.118 1.00 0.00 C ATOM 556 C ALA A 39 -7.629 -2.663 -8.632 1.00 0.00 C ATOM 557 O ALA A 39 -8.449 -3.219 -9.361 1.00 0.00 O ATOM 558 CB ALA A 39 -7.551 -1.566 -6.339 1.00 0.00 C ATOM 0 H ALA A 39 -5.913 -3.362 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.628 -3.322 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.365 -0.901 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.610 -1.771 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.597 -1.090 -6.565 1.00 0.00 H new ATOM 564 N GLY A 40 -6.672 -1.853 -9.061 1.00 0.00 N ATOM 565 CA GLY A 40 -6.520 -1.557 -10.475 1.00 0.00 C ATOM 566 C GLY A 40 -5.070 -1.198 -10.807 1.00 0.00 C ATOM 567 O GLY A 40 -4.214 -2.077 -10.897 1.00 0.00 O ATOM 0 H GLY A 40 -5.994 -1.393 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.829 -2.419 -11.066 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.175 -0.730 -10.750 1.00 0.00 H new ATOM 571 N ASP A 41 -4.839 0.095 -10.981 1.00 0.00 N ATOM 572 CA ASP A 41 -3.508 0.581 -11.302 1.00 0.00 C ATOM 573 C ASP A 41 -3.074 1.600 -10.247 1.00 0.00 C ATOM 574 O ASP A 41 -3.803 2.548 -9.957 1.00 0.00 O ATOM 575 CB ASP A 41 -3.488 1.274 -12.665 1.00 0.00 C ATOM 576 CG ASP A 41 -2.107 1.386 -13.314 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.297 2.181 -12.791 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.892 0.673 -14.318 1.00 0.00 O ATOM 0 H ASP A 41 -5.551 0.821 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.833 -0.275 -11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.148 0.731 -13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.902 2.276 -12.552 1.00 0.00 H new ATOM 583 N VAL A 42 -1.889 1.371 -9.700 1.00 0.00 N ATOM 584 CA VAL A 42 -1.349 2.258 -8.684 1.00 0.00 C ATOM 585 C VAL A 42 -0.433 3.289 -9.346 1.00 0.00 C ATOM 586 O VAL A 42 0.494 2.927 -10.069 1.00 0.00 O ATOM 587 CB VAL A 42 -0.644 1.441 -7.598 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.360 2.300 -6.364 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.460 0.201 -7.228 1.00 0.00 C ATOM 0 H VAL A 42 -1.288 0.583 -9.942 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.151 2.807 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 42 0.312 1.104 -7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.141 1.696 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.280 3.137 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.299 2.680 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.937 -0.361 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.438 0.507 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.588 -0.427 -8.110 1.00 0.00 H new ATOM 599 N CYS A 43 -0.725 4.553 -9.076 1.00 0.00 N ATOM 600 CA CYS A 43 0.060 5.638 -9.637 1.00 0.00 C ATOM 601 C CYS A 43 1.185 5.975 -8.655 1.00 0.00 C ATOM 602 O CYS A 43 2.234 6.476 -9.056 1.00 0.00 O ATOM 603 CB CYS A 43 -0.806 6.859 -9.952 1.00 0.00 C ATOM 604 SG CYS A 43 0.256 8.312 -10.283 1.00 0.00 S ATOM 0 H CYS A 43 -1.495 4.849 -8.476 1.00 0.00 H new ATOM 0 HA CYS A 43 0.490 5.324 -10.588 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.436 6.654 -10.817 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.472 7.068 -9.115 1.00 0.00 H new ATOM 0 HG CYS A 43 1.468 8.063 -9.885 1.00 0.00 H new ATOM 610 N TYR A 44 0.927 5.686 -7.388 1.00 0.00 N ATOM 611 CA TYR A 44 1.905 5.951 -6.346 1.00 0.00 C ATOM 612 C TYR A 44 1.838 4.888 -5.248 1.00 0.00 C ATOM 613 O TYR A 44 0.756 4.423 -4.894 1.00 0.00 O ATOM 614 CB TYR A 44 1.526 7.308 -5.749 1.00 0.00 C ATOM 615 CG TYR A 44 2.429 7.754 -4.597 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.764 8.015 -4.827 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.907 7.896 -3.327 1.00 0.00 C ATOM 618 CE1 TYR A 44 4.613 8.435 -3.743 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.756 8.316 -2.242 1.00 0.00 C ATOM 620 CZ TYR A 44 4.067 8.565 -2.504 1.00 0.00 C ATOM 621 OH TYR A 44 4.870 8.961 -1.480 1.00 0.00 O ATOM 0 H TYR A 44 0.055 5.271 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 44 2.915 5.941 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.559 8.062 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.497 7.263 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.172 7.904 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.862 7.692 -3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.660 8.642 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.361 8.431 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 44 4.345 9.012 -0.654 1.00 0.00 H new ATOM 631 N ALA A 45 3.009 4.533 -4.740 1.00 0.00 N ATOM 632 CA ALA A 45 3.098 3.533 -3.690 1.00 0.00 C ATOM 633 C ALA A 45 4.323 3.821 -2.820 1.00 0.00 C ATOM 634 O ALA A 45 5.456 3.753 -3.294 1.00 0.00 O ATOM 635 CB ALA A 45 3.142 2.138 -4.316 1.00 0.00 C ATOM 0 H ALA A 45 3.905 4.921 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 45 2.220 3.573 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.209 1.388 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.236 1.972 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.012 2.059 -4.967 1.00 0.00 H new ATOM 641 N ASP A 46 4.054 4.137 -1.561 1.00 0.00 N ATOM 642 CA ASP A 46 5.120 4.435 -0.620 1.00 0.00 C ATOM 643 C ASP A 46 4.860 3.692 0.691 1.00 0.00 C ATOM 644 O ASP A 46 3.759 3.192 0.918 1.00 0.00 O ATOM 645 CB ASP A 46 5.179 5.932 -0.311 1.00 0.00 C ATOM 646 CG ASP A 46 6.428 6.388 0.445 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.535 6.081 -0.050 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.249 7.033 1.500 1.00 0.00 O ATOM 0 H ASP A 46 3.113 4.193 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 46 6.063 4.122 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.119 6.484 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.300 6.202 0.274 1.00 0.00 H new ATOM 653 N VAL A 47 5.892 3.641 1.521 1.00 0.00 N ATOM 654 CA VAL A 47 5.789 2.967 2.804 1.00 0.00 C ATOM 655 C VAL A 47 6.572 3.757 3.854 1.00 0.00 C ATOM 656 O VAL A 47 7.617 4.331 3.553 1.00 0.00 O ATOM 657 CB VAL A 47 6.260 1.517 2.672 1.00 0.00 C ATOM 658 CG1 VAL A 47 6.517 0.897 4.047 1.00 0.00 C ATOM 659 CG2 VAL A 47 5.254 0.685 1.874 1.00 0.00 C ATOM 0 H VAL A 47 6.804 4.056 1.329 1.00 0.00 H new ATOM 0 HA VAL A 47 4.751 2.929 3.134 1.00 0.00 H new ATOM 0 HB VAL A 47 7.202 1.519 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.851 -0.133 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.287 1.469 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.597 0.914 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.612 -0.341 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.290 0.694 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.142 1.108 0.876 1.00 0.00 H new ATOM 669 N GLN A 48 6.037 3.760 5.066 1.00 0.00 N ATOM 670 CA GLN A 48 6.673 4.469 6.163 1.00 0.00 C ATOM 671 C GLN A 48 7.011 3.500 7.298 1.00 0.00 C ATOM 672 O GLN A 48 6.551 2.359 7.301 1.00 0.00 O ATOM 673 CB GLN A 48 5.787 5.612 6.664 1.00 0.00 C ATOM 674 CG GLN A 48 5.581 6.664 5.573 1.00 0.00 C ATOM 675 CD GLN A 48 5.951 8.060 6.080 1.00 0.00 C ATOM 676 OE1 GLN A 48 5.483 8.519 7.109 1.00 0.00 O ATOM 677 NE2 GLN A 48 6.816 8.706 5.303 1.00 0.00 N ATOM 0 H GLN A 48 5.170 3.283 5.312 1.00 0.00 H new ATOM 0 HA GLN A 48 7.602 4.906 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.822 5.217 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.244 6.075 7.539 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.190 6.416 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.541 6.656 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.169 8.263 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.127 9.644 5.556 1.00 0.00 H new ATOM 686 N LYS A 49 7.811 3.990 8.233 1.00 0.00 N ATOM 687 CA LYS A 49 8.215 3.181 9.371 1.00 0.00 C ATOM 688 C LYS A 49 6.977 2.796 10.184 1.00 0.00 C ATOM 689 O LYS A 49 5.891 3.326 9.955 1.00 0.00 O ATOM 690 CB LYS A 49 9.287 3.904 10.188 1.00 0.00 C ATOM 691 CG LYS A 49 10.389 2.936 10.626 1.00 0.00 C ATOM 692 CD LYS A 49 11.751 3.375 10.086 1.00 0.00 C ATOM 693 CE LYS A 49 12.605 2.164 9.705 1.00 0.00 C ATOM 694 NZ LYS A 49 13.276 2.391 8.406 1.00 0.00 N ATOM 0 H LYS A 49 8.190 4.937 8.226 1.00 0.00 H new ATOM 0 HA LYS A 49 8.676 2.253 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.720 4.709 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.832 4.364 11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.424 2.888 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.159 1.932 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.612 4.015 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.270 3.969 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.350 1.979 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.979 1.274 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.851 1.560 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.560 2.545 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.889 3.228 8.474 1.00 0.00 H new ATOM 708 N ASP A 50 7.183 1.878 11.116 1.00 0.00 N ATOM 709 CA ASP A 50 6.097 1.417 11.964 1.00 0.00 C ATOM 710 C ASP A 50 5.367 0.265 11.270 1.00 0.00 C ATOM 711 O ASP A 50 5.018 -0.727 11.907 1.00 0.00 O ATOM 712 CB ASP A 50 5.084 2.534 12.219 1.00 0.00 C ATOM 713 CG ASP A 50 4.280 2.396 13.513 1.00 0.00 C ATOM 714 OD1 ASP A 50 3.793 1.272 13.761 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.171 3.417 14.225 1.00 0.00 O ATOM 0 H ASP A 50 8.085 1.441 11.303 1.00 0.00 H new ATOM 0 HA ASP A 50 6.525 1.095 12.914 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.614 3.487 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.389 2.572 11.380 1.00 0.00 H new ATOM 720 N GLY A 51 5.158 0.437 9.973 1.00 0.00 N ATOM 721 CA GLY A 51 4.476 -0.576 9.185 1.00 0.00 C ATOM 722 C GLY A 51 3.390 0.052 8.308 1.00 0.00 C ATOM 723 O GLY A 51 2.740 -0.642 7.528 1.00 0.00 O ATOM 0 H GLY A 51 5.449 1.262 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.197 -1.101 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.030 -1.318 9.847 1.00 0.00 H new ATOM 727 N MET A 52 3.227 1.357 8.466 1.00 0.00 N ATOM 728 CA MET A 52 2.231 2.085 7.699 1.00 0.00 C ATOM 729 C MET A 52 2.648 2.202 6.231 1.00 0.00 C ATOM 730 O MET A 52 3.835 2.155 5.913 1.00 0.00 O ATOM 731 CB MET A 52 2.053 3.485 8.292 1.00 0.00 C ATOM 732 CG MET A 52 1.144 3.447 9.522 1.00 0.00 C ATOM 733 SD MET A 52 2.107 3.707 11.002 1.00 0.00 S ATOM 734 CE MET A 52 1.329 2.526 12.090 1.00 0.00 C ATOM 0 H MET A 52 3.768 1.929 9.114 1.00 0.00 H new ATOM 0 HA MET A 52 1.290 1.537 7.748 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.025 3.894 8.566 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.627 4.151 7.541 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.375 4.215 9.439 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.631 2.487 9.576 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.471 2.836 13.125 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.263 2.475 11.869 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.777 1.544 11.941 1.00 0.00 H new ATOM 744 N GLY A 53 1.647 2.352 5.376 1.00 0.00 N ATOM 745 CA GLY A 53 1.894 2.476 3.949 1.00 0.00 C ATOM 746 C GLY A 53 0.809 3.319 3.276 1.00 0.00 C ATOM 747 O GLY A 53 -0.190 3.666 3.903 1.00 0.00 O ATOM 0 H GLY A 53 0.664 2.390 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.870 2.933 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.925 1.486 3.494 1.00 0.00 H new ATOM 751 N MET A 54 1.043 3.623 2.008 1.00 0.00 N ATOM 752 CA MET A 54 0.098 4.418 1.242 1.00 0.00 C ATOM 753 C MET A 54 0.133 4.036 -0.239 1.00 0.00 C ATOM 754 O MET A 54 1.195 3.730 -0.780 1.00 0.00 O ATOM 755 CB MET A 54 0.438 5.902 1.395 1.00 0.00 C ATOM 756 CG MET A 54 -0.703 6.782 0.880 1.00 0.00 C ATOM 757 SD MET A 54 -0.088 7.922 -0.347 1.00 0.00 S ATOM 758 CE MET A 54 -1.077 7.430 -1.750 1.00 0.00 C ATOM 0 H MET A 54 1.873 3.333 1.492 1.00 0.00 H new ATOM 0 HA MET A 54 -0.904 4.224 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.632 6.128 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.352 6.128 0.846 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.487 6.160 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.151 7.332 1.707 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.093 8.236 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.648 6.536 -2.202 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.094 7.218 -1.422 1.00 0.00 H new ATOM 768 N VAL A 55 -1.040 4.067 -0.853 1.00 0.00 N ATOM 769 CA VAL A 55 -1.157 3.728 -2.261 1.00 0.00 C ATOM 770 C VAL A 55 -2.336 4.490 -2.868 1.00 0.00 C ATOM 771 O VAL A 55 -3.461 4.393 -2.380 1.00 0.00 O ATOM 772 CB VAL A 55 -1.277 2.211 -2.426 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.047 1.604 -2.894 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.754 1.555 -1.129 1.00 0.00 C ATOM 0 H VAL A 55 -1.918 4.322 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.261 4.031 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.025 2.015 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.066 0.525 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.328 2.039 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.824 1.815 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.831 0.477 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.041 1.764 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.731 1.955 -0.857 1.00 0.00 H new ATOM 784 N GLU A 56 -2.039 5.233 -3.925 1.00 0.00 N ATOM 785 CA GLU A 56 -3.060 6.011 -4.604 1.00 0.00 C ATOM 786 C GLU A 56 -3.645 5.215 -5.773 1.00 0.00 C ATOM 787 O GLU A 56 -2.978 4.346 -6.331 1.00 0.00 O ATOM 788 CB GLU A 56 -2.500 7.353 -5.080 1.00 0.00 C ATOM 789 CG GLU A 56 -3.230 8.520 -4.412 1.00 0.00 C ATOM 790 CD GLU A 56 -3.170 9.776 -5.284 1.00 0.00 C ATOM 791 OE1 GLU A 56 -2.035 10.197 -5.595 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.261 10.286 -5.620 1.00 0.00 O ATOM 0 H GLU A 56 -1.105 5.312 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.861 6.220 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.435 7.408 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.600 7.429 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.270 8.248 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.781 8.726 -3.440 1.00 0.00 H new ATOM 799 N TYR A 57 -4.885 5.542 -6.108 1.00 0.00 N ATOM 800 CA TYR A 57 -5.567 4.868 -7.200 1.00 0.00 C ATOM 801 C TYR A 57 -6.141 5.879 -8.194 1.00 0.00 C ATOM 802 O TYR A 57 -6.623 6.940 -7.798 1.00 0.00 O ATOM 803 CB TYR A 57 -6.717 4.088 -6.561 1.00 0.00 C ATOM 804 CG TYR A 57 -6.303 2.737 -5.975 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.637 1.819 -6.761 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.596 2.437 -4.660 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.247 0.547 -6.209 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.207 1.165 -4.108 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.551 0.283 -4.910 1.00 0.00 C ATOM 810 OH TYR A 57 -5.183 -0.918 -4.388 1.00 0.00 O ATOM 0 H TYR A 57 -5.435 6.264 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.877 4.223 -7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.159 4.695 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.492 3.925 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.408 2.054 -7.790 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.117 3.156 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.725 -0.180 -6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.431 0.917 -3.081 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.946 -1.532 -5.114 1.00 0.00 H new ATOM 820 N LEU A 58 -6.072 5.515 -9.466 1.00 0.00 N ATOM 821 CA LEU A 58 -6.579 6.377 -10.520 1.00 0.00 C ATOM 822 C LEU A 58 -8.092 6.184 -10.647 1.00 0.00 C ATOM 823 O LEU A 58 -8.746 6.874 -11.427 1.00 0.00 O ATOM 824 CB LEU A 58 -5.817 6.135 -11.824 1.00 0.00 C ATOM 825 CG LEU A 58 -4.305 6.366 -11.770 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.968 7.588 -10.914 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.575 5.110 -11.290 1.00 0.00 C ATOM 0 H LEU A 58 -5.672 4.634 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.410 7.424 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.997 5.108 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.237 6.784 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.955 6.575 -12.781 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.888 7.730 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.442 8.472 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.334 7.434 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.502 5.301 -11.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.924 4.846 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.778 4.287 -11.975 1.00 0.00 H new ATOM 839 N ARG A 59 -8.603 5.242 -9.868 1.00 0.00 N ATOM 840 CA ARG A 59 -10.026 4.950 -9.883 1.00 0.00 C ATOM 841 C ARG A 59 -10.574 4.902 -8.455 1.00 0.00 C ATOM 842 O ARG A 59 -9.970 4.290 -7.576 1.00 0.00 O ATOM 843 CB ARG A 59 -10.307 3.614 -10.575 1.00 0.00 C ATOM 844 CG ARG A 59 -10.178 3.746 -12.094 1.00 0.00 C ATOM 845 CD ARG A 59 -11.020 4.912 -12.616 1.00 0.00 C ATOM 846 NE ARG A 59 -11.548 4.591 -13.961 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.333 5.411 -14.674 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.684 6.604 -14.176 1.00 0.00 N ATOM 849 NH2 ARG A 59 -12.766 5.037 -15.886 1.00 0.00 N ATOM 0 H ARG A 59 -8.057 4.671 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.522 5.746 -10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.611 2.858 -10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.310 3.272 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.133 3.899 -12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.497 2.820 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.844 5.112 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.415 5.818 -12.660 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.299 3.691 -14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.354 6.889 -13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.281 7.228 -14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.498 4.129 -16.265 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.363 5.661 -16.429 1.00 0.00 H new ATOM 863 N LYS A 60 -11.711 5.555 -8.270 1.00 0.00 N ATOM 864 CA LYS A 60 -12.347 5.595 -6.964 1.00 0.00 C ATOM 865 C LYS A 60 -12.710 4.172 -6.534 1.00 0.00 C ATOM 866 O LYS A 60 -12.278 3.709 -5.480 1.00 0.00 O ATOM 867 CB LYS A 60 -13.538 6.556 -6.976 1.00 0.00 C ATOM 868 CG LYS A 60 -14.187 6.642 -5.593 1.00 0.00 C ATOM 869 CD LYS A 60 -15.492 7.439 -5.649 1.00 0.00 C ATOM 870 CE LYS A 60 -16.282 7.289 -4.348 1.00 0.00 C ATOM 871 NZ LYS A 60 -16.400 8.593 -3.659 1.00 0.00 N ATOM 0 H LYS A 60 -12.209 6.061 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.657 5.988 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.208 7.546 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.274 6.220 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.385 5.638 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.498 7.114 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.272 8.492 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.097 7.095 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.275 6.893 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.786 6.570 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.939 8.473 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.451 8.956 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.893 9.269 -4.277 1.00 0.00 H new ATOM 885 N GLU A 61 -13.499 3.518 -7.374 1.00 0.00 N ATOM 886 CA GLU A 61 -13.925 2.157 -7.095 1.00 0.00 C ATOM 887 C GLU A 61 -12.743 1.323 -6.595 1.00 0.00 C ATOM 888 O GLU A 61 -12.825 0.691 -5.543 1.00 0.00 O ATOM 889 CB GLU A 61 -14.564 1.518 -8.329 1.00 0.00 C ATOM 890 CG GLU A 61 -16.052 1.861 -8.416 1.00 0.00 C ATOM 891 CD GLU A 61 -16.676 1.279 -9.686 1.00 0.00 C ATOM 892 OE1 GLU A 61 -15.953 1.238 -10.706 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.861 0.888 -9.609 1.00 0.00 O ATOM 0 H GLU A 61 -13.854 3.905 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.681 2.187 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.054 1.865 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.438 0.436 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.570 1.471 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.180 2.943 -8.407 1.00 0.00 H new ATOM 900 N ASP A 62 -11.671 1.349 -7.374 1.00 0.00 N ATOM 901 CA ASP A 62 -10.474 0.603 -7.023 1.00 0.00 C ATOM 902 C ASP A 62 -10.170 0.803 -5.537 1.00 0.00 C ATOM 903 O ASP A 62 -9.964 -0.165 -4.806 1.00 0.00 O ATOM 904 CB ASP A 62 -9.266 1.094 -7.823 1.00 0.00 C ATOM 905 CG ASP A 62 -9.251 0.674 -9.295 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.197 -0.039 -9.691 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.292 1.076 -9.990 1.00 0.00 O ATOM 0 H ASP A 62 -11.606 1.874 -8.246 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.654 -0.448 -7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.233 2.182 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.358 0.724 -7.346 1.00 0.00 H new ATOM 912 N MET A 63 -10.152 2.065 -5.135 1.00 0.00 N ATOM 913 CA MET A 63 -9.877 2.405 -3.749 1.00 0.00 C ATOM 914 C MET A 63 -10.723 1.556 -2.798 1.00 0.00 C ATOM 915 O MET A 63 -10.186 0.807 -1.983 1.00 0.00 O ATOM 916 CB MET A 63 -10.179 3.886 -3.516 1.00 0.00 C ATOM 917 CG MET A 63 -9.582 4.366 -2.192 1.00 0.00 C ATOM 918 SD MET A 63 -9.965 6.091 -1.939 1.00 0.00 S ATOM 919 CE MET A 63 -11.685 6.100 -2.415 1.00 0.00 C ATOM 0 H MET A 63 -10.323 2.865 -5.745 1.00 0.00 H new ATOM 0 HA MET A 63 -8.825 2.204 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.773 4.477 -4.337 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.257 4.044 -3.511 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.979 3.772 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.502 4.222 -2.197 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.166 6.997 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.762 6.090 -3.502 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.180 5.218 -2.008 1.00 0.00 H new ATOM 929 N GLU A 64 -12.033 1.701 -2.934 1.00 0.00 N ATOM 930 CA GLU A 64 -12.959 0.957 -2.097 1.00 0.00 C ATOM 931 C GLU A 64 -12.804 -0.546 -2.339 1.00 0.00 C ATOM 932 O GLU A 64 -12.780 -1.332 -1.393 1.00 0.00 O ATOM 933 CB GLU A 64 -14.401 1.405 -2.342 1.00 0.00 C ATOM 934 CG GLU A 64 -14.561 2.904 -2.078 1.00 0.00 C ATOM 935 CD GLU A 64 -16.015 3.250 -1.749 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.780 3.461 -2.715 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.328 3.297 -0.540 1.00 0.00 O ATOM 0 H GLU A 64 -12.475 2.323 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.721 1.164 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.686 1.181 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.075 0.844 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.916 3.202 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.238 3.468 -2.953 1.00 0.00 H new ATOM 944 N TYR A 65 -12.702 -0.900 -3.612 1.00 0.00 N ATOM 945 CA TYR A 65 -12.550 -2.295 -3.991 1.00 0.00 C ATOM 946 C TYR A 65 -11.417 -2.956 -3.203 1.00 0.00 C ATOM 947 O TYR A 65 -11.648 -3.905 -2.456 1.00 0.00 O ATOM 948 CB TYR A 65 -12.187 -2.291 -5.477 1.00 0.00 C ATOM 949 CG TYR A 65 -11.801 -3.665 -6.027 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.534 -4.166 -5.807 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.720 -4.405 -6.743 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.170 -5.459 -6.324 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.356 -5.699 -7.261 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.100 -6.162 -7.026 1.00 0.00 C ATOM 955 OH TYR A 65 -10.756 -7.384 -7.515 1.00 0.00 O ATOM 0 H TYR A 65 -12.722 -0.245 -4.394 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.465 -2.851 -3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.034 -1.908 -6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.358 -1.601 -5.636 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.815 -3.587 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.712 -4.014 -6.915 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.182 -5.862 -6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.065 -6.288 -7.823 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.518 -7.771 -7.994 1.00 0.00 H new ATOM 965 N ALA A 66 -10.217 -2.429 -3.398 1.00 0.00 N ATOM 966 CA ALA A 66 -9.048 -2.956 -2.716 1.00 0.00 C ATOM 967 C ALA A 66 -9.256 -2.852 -1.203 1.00 0.00 C ATOM 968 O ALA A 66 -8.860 -3.745 -0.456 1.00 0.00 O ATOM 969 CB ALA A 66 -7.801 -2.206 -3.186 1.00 0.00 C ATOM 0 H ALA A 66 -10.029 -1.642 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.905 -4.009 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.924 -2.602 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.682 -2.335 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.907 -1.145 -2.958 1.00 0.00 H new ATOM 975 N LEU A 67 -9.876 -1.754 -0.798 1.00 0.00 N ATOM 976 CA LEU A 67 -10.140 -1.521 0.612 1.00 0.00 C ATOM 977 C LEU A 67 -10.862 -2.736 1.198 1.00 0.00 C ATOM 978 O LEU A 67 -10.412 -3.312 2.188 1.00 0.00 O ATOM 979 CB LEU A 67 -10.896 -0.205 0.805 1.00 0.00 C ATOM 980 CG LEU A 67 -10.043 1.065 0.807 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.895 2.299 0.506 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.274 1.207 2.123 1.00 0.00 C ATOM 0 H LEU A 67 -10.203 -1.016 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.205 -1.409 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.641 -0.117 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.439 -0.256 1.749 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.305 0.981 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.264 3.188 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.358 2.191 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.671 2.399 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.676 2.118 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.979 1.258 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.619 0.346 2.256 1.00 0.00 H new ATOM 994 N ARG A 68 -11.969 -3.091 0.563 1.00 0.00 N ATOM 995 CA ARG A 68 -12.757 -4.227 1.009 1.00 0.00 C ATOM 996 C ARG A 68 -12.046 -5.536 0.659 1.00 0.00 C ATOM 997 O ARG A 68 -11.601 -6.261 1.548 1.00 0.00 O ATOM 998 CB ARG A 68 -14.145 -4.221 0.366 1.00 0.00 C ATOM 999 CG ARG A 68 -14.863 -2.894 0.622 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.138 -2.699 2.115 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.361 -1.888 2.302 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.029 -1.792 3.460 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.596 -2.456 4.540 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.130 -1.033 3.537 1.00 0.00 N ATOM 0 H ARG A 68 -12.339 -2.611 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.870 -4.148 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.053 -4.388 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.739 -5.043 0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.255 -2.070 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.802 -2.872 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.256 -3.667 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.289 -2.206 2.588 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.718 -1.369 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.758 -3.035 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.104 -2.383 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.460 -0.528 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.638 -0.960 4.418 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.961 -5.798 -0.637 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.312 -7.007 -1.115 1.00 0.00 C ATOM 1020 C LYS A 69 -10.115 -7.327 -0.217 1.00 0.00 C ATOM 1021 O LYS A 69 -10.061 -8.392 0.396 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.951 -6.872 -2.595 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.055 -7.449 -3.483 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.183 -6.435 -3.685 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.514 -6.987 -3.171 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.354 -5.895 -2.630 1.00 0.00 N ATOM 0 H LYS A 69 -12.331 -5.194 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.994 -7.855 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.794 -5.822 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.012 -7.390 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.638 -7.732 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.454 -8.357 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.943 -5.509 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.271 -6.190 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.041 -7.493 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.331 -7.731 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.376 -5.956 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.956 -4.977 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.321 -5.984 -3.003 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.184 -6.385 -0.168 1.00 0.00 N ATOM 1041 CA LEU A 70 -7.991 -6.553 0.645 1.00 0.00 C ATOM 1042 C LEU A 70 -8.385 -6.576 2.123 1.00 0.00 C ATOM 1043 O LEU A 70 -8.179 -7.576 2.809 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.954 -5.482 0.301 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.689 -5.258 -1.189 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.812 -4.024 -1.411 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.091 -6.510 -1.835 1.00 0.00 C ATOM 0 H LEU A 70 -9.232 -5.503 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.513 -7.508 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.278 -4.537 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.012 -5.749 0.781 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.643 -5.067 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.639 -3.888 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.314 -3.144 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.857 -4.160 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.913 -6.323 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.149 -6.757 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.785 -7.343 -1.726 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.945 -5.461 2.570 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.369 -5.340 3.955 1.00 0.00 C ATOM 1061 C ASP A 71 -8.675 -6.416 4.792 1.00 0.00 C ATOM 1062 O ASP A 71 -9.197 -7.519 4.949 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.880 -5.541 4.087 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.421 -5.462 5.516 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.318 -4.363 6.102 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -11.924 -6.503 5.990 1.00 0.00 O ATOM 0 H ASP A 71 -9.115 -4.634 1.998 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.105 -4.341 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.386 -4.789 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.140 -6.514 3.670 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.509 -6.058 5.309 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.738 -6.979 6.126 1.00 0.00 C ATOM 1073 C ASP A 72 -6.366 -8.206 5.292 1.00 0.00 C ATOM 1074 O ASP A 72 -7.196 -9.086 5.071 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.548 -7.455 7.333 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.848 -8.491 8.214 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.634 -9.614 7.710 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.542 -8.136 9.373 1.00 0.00 O ATOM 0 H ASP A 72 -7.079 -5.142 5.178 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.847 -6.456 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.800 -6.590 7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.487 -7.878 6.977 1.00 0.00 H new ATOM 1083 N THR A 73 -5.116 -8.226 4.851 1.00 0.00 N ATOM 1084 CA THR A 73 -4.624 -9.330 4.046 1.00 0.00 C ATOM 1085 C THR A 73 -3.277 -9.821 4.580 1.00 0.00 C ATOM 1086 O THR A 73 -2.769 -9.296 5.570 1.00 0.00 O ATOM 1087 CB THR A 73 -4.567 -8.865 2.589 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.077 -7.530 2.670 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.957 -8.715 1.967 1.00 0.00 C ATOM 0 H THR A 73 -4.430 -7.495 5.037 1.00 0.00 H new ATOM 0 HA THR A 73 -5.293 -10.189 4.102 1.00 0.00 H new ATOM 0 HB THR A 73 -3.983 -9.575 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.007 -7.152 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.859 -8.383 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.473 -9.675 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.531 -7.980 2.531 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.737 -10.823 3.902 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.459 -11.391 4.296 1.00 0.00 C ATOM 1099 C LYS A 74 -0.386 -10.967 3.291 1.00 0.00 C ATOM 1100 O LYS A 74 -0.260 -11.565 2.223 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.576 -12.907 4.468 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.207 -13.536 4.731 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.352 -14.974 5.234 1.00 0.00 C ATOM 1104 CE LYS A 74 0.583 -15.917 4.474 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.208 -17.328 4.721 1.00 0.00 N ATOM 0 H LYS A 74 -3.161 -11.256 3.082 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.155 -11.006 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.249 -13.132 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.016 -13.345 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.384 -13.525 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.335 -12.942 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.128 -15.015 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.384 -15.303 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.535 -15.703 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.613 -15.748 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.852 -17.955 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.276 -17.532 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.768 -17.489 4.400 1.00 0.00 H new ATOM 1119 N PHE A 75 0.360 -9.939 3.668 1.00 0.00 N ATOM 1120 CA PHE A 75 1.418 -9.428 2.813 1.00 0.00 C ATOM 1121 C PHE A 75 2.747 -10.126 3.110 1.00 0.00 C ATOM 1122 O PHE A 75 3.182 -10.177 4.259 1.00 0.00 O ATOM 1123 CB PHE A 75 1.559 -7.936 3.119 1.00 0.00 C ATOM 1124 CG PHE A 75 2.716 -7.257 2.383 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.725 -7.213 1.024 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.735 -6.697 3.088 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.798 -6.583 0.341 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.809 -6.067 2.405 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.818 -6.023 1.046 1.00 0.00 C ATOM 0 H PHE A 75 0.253 -9.446 4.554 1.00 0.00 H new ATOM 0 HA PHE A 75 1.170 -9.607 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.629 -7.432 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.699 -7.807 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.915 -7.658 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.728 -6.731 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.805 -6.548 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.619 -5.623 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.635 -5.544 0.526 1.00 0.00 H new ATOM 1139 N ARG A 76 3.355 -10.645 2.053 1.00 0.00 N ATOM 1140 CA ARG A 76 4.626 -11.337 2.186 1.00 0.00 C ATOM 1141 C ARG A 76 5.783 -10.389 1.866 1.00 0.00 C ATOM 1142 O ARG A 76 5.848 -9.832 0.771 1.00 0.00 O ATOM 1143 CB ARG A 76 4.694 -12.548 1.253 1.00 0.00 C ATOM 1144 CG ARG A 76 5.833 -13.487 1.655 1.00 0.00 C ATOM 1145 CD ARG A 76 5.639 -14.876 1.045 1.00 0.00 C ATOM 1146 NE ARG A 76 6.606 -15.084 -0.056 1.00 0.00 N ATOM 1147 CZ ARG A 76 6.959 -16.287 -0.529 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.427 -17.397 0.000 1.00 0.00 N ATOM 1149 NH2 ARG A 76 7.844 -16.380 -1.531 1.00 0.00 N ATOM 0 H ARG A 76 2.991 -10.600 1.101 1.00 0.00 H new ATOM 0 HA ARG A 76 4.709 -11.682 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.747 -13.087 1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.840 -12.213 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.785 -13.071 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.878 -13.566 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.776 -15.641 1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.621 -14.979 0.670 1.00 0.00 H new ATOM 0 HE ARG A 76 7.030 -14.260 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.753 -17.326 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.696 -18.313 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.249 -15.535 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.113 -17.296 -1.891 1.00 0.00 H new ATOM 1163 N SER A 77 6.667 -10.234 2.840 1.00 0.00 N ATOM 1164 CA SER A 77 7.818 -9.363 2.675 1.00 0.00 C ATOM 1165 C SER A 77 8.797 -9.974 1.671 1.00 0.00 C ATOM 1166 O SER A 77 8.696 -11.154 1.340 1.00 0.00 O ATOM 1167 CB SER A 77 8.516 -9.114 4.014 1.00 0.00 C ATOM 1168 OG SER A 77 9.132 -10.294 4.522 1.00 0.00 O ATOM 0 H SER A 77 6.609 -10.697 3.747 1.00 0.00 H new ATOM 0 HA SER A 77 7.469 -8.403 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.269 -8.336 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.790 -8.743 4.738 1.00 0.00 H new ATOM 0 HG SER A 77 8.823 -11.071 4.010 1.00 0.00 H new ATOM 1174 N HIS A 78 9.722 -9.143 1.215 1.00 0.00 N ATOM 1175 CA HIS A 78 10.719 -9.586 0.255 1.00 0.00 C ATOM 1176 C HIS A 78 11.672 -10.578 0.926 1.00 0.00 C ATOM 1177 O HIS A 78 12.443 -11.257 0.250 1.00 0.00 O ATOM 1178 CB HIS A 78 11.447 -8.391 -0.364 1.00 0.00 C ATOM 1179 CG HIS A 78 12.836 -8.709 -0.862 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.226 -8.510 -2.175 1.00 0.00 N ATOM 1181 CD2 HIS A 78 13.923 -9.214 -0.211 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.491 -8.882 -2.297 1.00 0.00 C ATOM 1183 NE2 HIS A 78 14.922 -9.318 -1.079 1.00 0.00 N ATOM 0 H HIS A 78 9.802 -8.165 1.492 1.00 0.00 H new ATOM 0 HA HIS A 78 10.230 -10.105 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.854 -8.007 -1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.511 -7.594 0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.964 -9.484 0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.078 -8.846 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.857 -9.666 -0.869 1.00 0.00 H new ATOM 1191 N GLU A 79 11.587 -10.630 2.247 1.00 0.00 N ATOM 1192 CA GLU A 79 12.431 -11.527 3.017 1.00 0.00 C ATOM 1193 C GLU A 79 11.680 -12.822 3.334 1.00 0.00 C ATOM 1194 O GLU A 79 12.258 -13.763 3.876 1.00 0.00 O ATOM 1195 CB GLU A 79 12.925 -10.852 4.298 1.00 0.00 C ATOM 1196 CG GLU A 79 14.137 -9.962 4.017 1.00 0.00 C ATOM 1197 CD GLU A 79 15.423 -10.790 3.960 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.575 -11.534 2.968 1.00 0.00 O ATOM 1199 OE2 GLU A 79 16.224 -10.659 4.910 1.00 0.00 O ATOM 0 H GLU A 79 10.946 -10.065 2.804 1.00 0.00 H new ATOM 0 HA GLU A 79 13.306 -11.775 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.123 -10.254 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.190 -11.611 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.996 -9.437 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.223 -9.203 4.794 1.00 0.00 H new ATOM 1206 N GLY A 80 10.403 -12.829 2.982 1.00 0.00 N ATOM 1207 CA GLY A 80 9.566 -13.993 3.222 1.00 0.00 C ATOM 1208 C GLY A 80 8.556 -13.721 4.338 1.00 0.00 C ATOM 1209 O GLY A 80 7.398 -14.123 4.243 1.00 0.00 O ATOM 0 H GLY A 80 9.927 -12.047 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.038 -14.261 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.190 -14.845 3.491 1.00 0.00 H new ATOM 1213 N GLU A 81 9.031 -13.039 5.370 1.00 0.00 N ATOM 1214 CA GLU A 81 8.184 -12.709 6.503 1.00 0.00 C ATOM 1215 C GLU A 81 6.798 -12.277 6.021 1.00 0.00 C ATOM 1216 O GLU A 81 6.657 -11.747 4.919 1.00 0.00 O ATOM 1217 CB GLU A 81 8.826 -11.623 7.370 1.00 0.00 C ATOM 1218 CG GLU A 81 9.746 -12.239 8.426 1.00 0.00 C ATOM 1219 CD GLU A 81 11.133 -11.595 8.387 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.655 -11.439 7.262 1.00 0.00 O ATOM 1221 OE2 GLU A 81 11.641 -11.273 9.483 1.00 0.00 O ATOM 0 H GLU A 81 9.992 -12.706 5.445 1.00 0.00 H new ATOM 0 HA GLU A 81 8.072 -13.601 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.395 -10.939 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.049 -11.035 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.308 -12.109 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.834 -13.312 8.255 1.00 0.00 H new ATOM 1228 N THR A 82 5.809 -12.518 6.869 1.00 0.00 N ATOM 1229 CA THR A 82 4.439 -12.161 6.544 1.00 0.00 C ATOM 1230 C THR A 82 3.803 -11.381 7.696 1.00 0.00 C ATOM 1231 O THR A 82 4.141 -11.598 8.859 1.00 0.00 O ATOM 1232 CB THR A 82 3.686 -13.445 6.190 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.953 -14.316 7.286 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.293 -14.166 4.985 1.00 0.00 C ATOM 0 H THR A 82 5.930 -12.957 7.782 1.00 0.00 H new ATOM 0 HA THR A 82 4.398 -11.496 5.682 1.00 0.00 H new ATOM 0 HB THR A 82 2.642 -13.209 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.501 -15.173 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.721 -15.070 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.264 -13.509 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.327 -14.433 5.204 1.00 0.00 H new ATOM 1242 N SER A 83 2.892 -10.489 7.334 1.00 0.00 N ATOM 1243 CA SER A 83 2.206 -9.676 8.323 1.00 0.00 C ATOM 1244 C SER A 83 0.791 -9.348 7.840 1.00 0.00 C ATOM 1245 O SER A 83 0.476 -9.524 6.664 1.00 0.00 O ATOM 1246 CB SER A 83 2.980 -8.389 8.611 1.00 0.00 C ATOM 1247 OG SER A 83 4.091 -8.616 9.474 1.00 0.00 O ATOM 0 H SER A 83 2.613 -10.312 6.369 1.00 0.00 H new ATOM 0 HA SER A 83 2.144 -10.245 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.332 -7.960 7.673 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.311 -7.658 9.065 1.00 0.00 H new ATOM 0 HG SER A 83 4.266 -9.578 9.535 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.023 -8.878 8.773 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.397 -8.524 8.458 1.00 0.00 C ATOM 1255 C TYR A 84 -1.560 -7.006 8.346 1.00 0.00 C ATOM 1256 O TYR A 84 -1.505 -6.297 9.350 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.242 -9.031 9.627 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.295 -10.067 9.231 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.033 -10.963 8.214 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.508 -10.107 9.889 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.024 -11.939 7.840 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.499 -11.082 9.516 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.208 -11.950 8.510 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.144 -12.872 8.157 1.00 0.00 O ATOM 0 H TYR A 84 0.242 -8.734 9.747 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.697 -8.961 7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.582 -9.467 10.377 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.740 -8.183 10.096 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.084 -10.932 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.714 -9.406 10.684 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.832 -12.646 7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.452 -11.123 10.023 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.939 -12.763 8.720 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.757 -6.553 7.117 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.929 -5.133 6.861 1.00 0.00 C ATOM 1276 C ILE A 85 -3.401 -4.849 6.555 1.00 0.00 C ATOM 1277 O ILE A 85 -4.005 -5.519 5.719 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.971 -4.667 5.763 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.211 -5.437 4.463 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.484 -4.764 6.227 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.995 -4.537 3.245 1.00 0.00 C ATOM 0 H ILE A 85 -1.801 -7.144 6.287 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.669 -4.552 7.746 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.173 -3.616 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.536 -6.292 4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.227 -5.832 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.144 -4.427 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.628 -4.136 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.718 -5.799 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.172 -5.109 2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.688 -3.697 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.029 -4.163 3.246 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.935 -3.854 7.247 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.324 -3.472 7.060 1.00 0.00 C ATOM 1295 C ARG A 86 -5.438 -2.397 5.978 1.00 0.00 C ATOM 1296 O ARG A 86 -4.520 -1.599 5.792 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.931 -2.944 8.361 1.00 0.00 C ATOM 1298 CG ARG A 86 -7.062 -3.852 8.847 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.425 -3.186 8.646 1.00 0.00 C ATOM 1300 NE ARG A 86 -9.097 -3.004 9.951 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.616 -4.005 10.675 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -9.542 -5.265 10.226 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.208 -3.746 11.849 1.00 0.00 N ATOM 0 H ARG A 86 -3.430 -3.300 7.939 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.873 -4.362 6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.158 -2.879 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.312 -1.935 8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.032 -4.798 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.919 -4.084 9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.298 -2.221 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.045 -3.798 7.991 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.170 -2.057 10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.091 -5.462 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.937 -6.027 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.264 -2.787 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.603 -4.508 12.400 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.572 -2.409 5.293 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.817 -1.444 4.235 1.00 0.00 C ATOM 1319 C VAL A 87 -8.012 -0.568 4.616 1.00 0.00 C ATOM 1320 O VAL A 87 -9.135 -1.057 4.726 1.00 0.00 O ATOM 1321 CB VAL A 87 -7.009 -2.168 2.900 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.640 -1.260 1.726 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.205 -3.469 2.862 1.00 0.00 C ATOM 0 H VAL A 87 -7.331 -3.072 5.450 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.957 -0.786 4.112 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.064 -2.424 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.785 -1.799 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.275 -0.374 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.596 -0.959 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.359 -3.964 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.146 -3.246 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.537 -4.125 3.666 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.729 0.712 4.808 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.766 1.661 5.176 1.00 0.00 C ATOM 1335 C TYR A 88 -8.496 3.035 4.558 1.00 0.00 C ATOM 1336 O TYR A 88 -7.356 3.358 4.227 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.708 1.780 6.700 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.322 2.132 7.244 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.334 1.170 7.290 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.060 3.411 7.690 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.030 1.500 7.802 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.756 3.742 8.203 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.805 2.771 8.234 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.573 3.083 8.718 1.00 0.00 O ATOM 0 H TYR A 88 -6.796 1.114 4.716 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.739 1.323 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.418 2.542 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.031 0.837 7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.539 0.169 6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.833 4.164 7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.248 0.756 7.842 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.538 4.739 8.555 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.557 4.025 8.989 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.592 3.827 4.417 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.485 5.159 3.845 1.00 0.00 C ATOM 1356 C PRO A 89 -8.864 6.136 4.845 1.00 0.00 C ATOM 1357 O PRO A 89 -8.574 5.767 5.982 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.905 5.533 3.452 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.814 4.601 4.236 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.958 3.478 4.798 1.00 0.00 C ATOM 0 HA PRO A 89 -8.824 5.194 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.115 6.576 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.057 5.415 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.311 5.141 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.596 4.199 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.061 3.406 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.250 2.513 4.385 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.678 7.365 4.385 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.097 8.398 5.224 1.00 0.00 C ATOM 1370 C GLU A 90 -9.192 9.122 6.011 1.00 0.00 C ATOM 1371 O GLU A 90 -10.278 9.365 5.488 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.277 9.385 4.391 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.974 9.754 5.102 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.906 11.258 5.376 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.021 12.020 4.392 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.740 11.612 6.563 1.00 0.00 O ATOM 0 H GLU A 90 -8.920 7.668 3.442 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.420 7.923 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.053 8.947 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.863 10.286 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.900 9.206 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.124 9.453 4.490 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.868 9.445 7.254 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.810 10.136 8.118 1.00 0.00 C ATOM 1385 C ARG A 91 -9.150 10.482 9.454 1.00 0.00 C ATOM 1386 O ARG A 91 -8.701 9.594 10.177 1.00 0.00 O ATOM 1387 CB ARG A 91 -11.051 9.279 8.376 1.00 0.00 C ATOM 1388 CG ARG A 91 -12.319 9.995 7.908 1.00 0.00 C ATOM 1389 CD ARG A 91 -13.572 9.294 8.438 1.00 0.00 C ATOM 1390 NE ARG A 91 -14.777 9.846 7.780 1.00 0.00 N ATOM 1391 CZ ARG A 91 -15.356 11.005 8.122 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -14.844 11.742 9.117 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -16.447 11.427 7.469 1.00 0.00 N ATOM 0 H ARG A 91 -7.966 9.241 7.684 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.114 11.052 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.954 8.326 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.128 9.055 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.304 11.030 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.346 10.021 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.505 8.222 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.644 9.427 9.517 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.193 9.310 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.013 11.421 9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.285 12.624 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.837 10.866 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.888 12.309 7.729 1.00 0.00 H new ATOM 1407 N SER A 92 -9.113 11.775 9.742 1.00 0.00 N ATOM 1408 CA SER A 92 -8.515 12.249 10.979 1.00 0.00 C ATOM 1409 C SER A 92 -9.357 13.384 11.565 1.00 0.00 C ATOM 1410 O SER A 92 -9.007 14.555 11.429 1.00 0.00 O ATOM 1411 CB SER A 92 -7.077 12.718 10.751 1.00 0.00 C ATOM 1412 OG SER A 92 -6.163 12.090 11.646 1.00 0.00 O ATOM 0 H SER A 92 -9.487 12.509 9.140 1.00 0.00 H new ATOM 0 HA SER A 92 -8.490 11.420 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.784 12.503 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.024 13.799 10.878 1.00 0.00 H new ATOM 0 HG SER A 92 -5.256 12.414 11.468 1.00 0.00 H new ATOM 1418 N SER A 93 -10.451 12.998 12.204 1.00 0.00 N ATOM 1419 CA SER A 93 -11.346 13.968 12.811 1.00 0.00 C ATOM 1420 C SER A 93 -11.917 14.897 11.738 1.00 0.00 C ATOM 1421 O SER A 93 -11.320 15.064 10.675 1.00 0.00 O ATOM 1422 CB SER A 93 -10.626 14.782 13.889 1.00 0.00 C ATOM 1423 OG SER A 93 -11.527 15.597 14.633 1.00 0.00 O ATOM 0 H SER A 93 -10.738 12.026 12.315 1.00 0.00 H new ATOM 0 HA SER A 93 -12.164 13.427 13.287 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.105 14.106 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.868 15.412 13.422 1.00 0.00 H new ATOM 0 HG SER A 93 -11.030 16.099 15.312 1.00 0.00 H new ATOM 1429 N GLY A 94 -13.065 15.478 12.053 1.00 0.00 N ATOM 1430 CA GLY A 94 -13.723 16.386 11.129 1.00 0.00 C ATOM 1431 C GLY A 94 -13.051 17.760 11.139 1.00 0.00 C ATOM 1432 O GLY A 94 -13.064 18.454 12.155 1.00 0.00 O ATOM 0 H GLY A 94 -13.557 15.338 12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.694 15.970 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.774 16.489 11.401 1.00 0.00 H new ATOM 1436 N PRO A 95 -12.466 18.123 9.966 1.00 0.00 N ATOM 1437 CA PRO A 95 -11.791 19.402 9.830 1.00 0.00 C ATOM 1438 C PRO A 95 -12.801 20.546 9.720 1.00 0.00 C ATOM 1439 O PRO A 95 -13.890 20.368 9.177 1.00 0.00 O ATOM 1440 CB PRO A 95 -10.920 19.258 8.593 1.00 0.00 C ATOM 1441 CG PRO A 95 -11.486 18.078 7.820 1.00 0.00 C ATOM 1442 CD PRO A 95 -12.432 17.327 8.742 1.00 0.00 C ATOM 0 HA PRO A 95 -11.185 19.652 10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.943 20.166 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.879 19.083 8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.013 18.422 6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.683 17.423 7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.425 17.235 8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.075 16.316 8.937 1.00 0.00 H new ATOM 1450 N SER A 96 -12.403 21.697 10.244 1.00 0.00 N ATOM 1451 CA SER A 96 -13.260 22.870 10.212 1.00 0.00 C ATOM 1452 C SER A 96 -12.410 24.135 10.083 1.00 0.00 C ATOM 1453 O SER A 96 -12.049 24.749 11.085 1.00 0.00 O ATOM 1454 CB SER A 96 -14.138 22.945 11.462 1.00 0.00 C ATOM 1455 OG SER A 96 -15.076 24.016 11.392 1.00 0.00 O ATOM 0 H SER A 96 -11.499 21.842 10.693 1.00 0.00 H new ATOM 0 HA SER A 96 -13.916 22.791 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.672 22.003 11.587 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.507 23.073 12.341 1.00 0.00 H new ATOM 0 HG SER A 96 -15.619 24.029 12.208 1.00 0.00 H new ATOM 1461 N SER A 97 -12.115 24.487 8.840 1.00 0.00 N ATOM 1462 CA SER A 97 -11.314 25.668 8.567 1.00 0.00 C ATOM 1463 C SER A 97 -11.974 26.507 7.471 1.00 0.00 C ATOM 1464 O SER A 97 -12.294 27.675 7.685 1.00 0.00 O ATOM 1465 CB SER A 97 -9.890 25.286 8.158 1.00 0.00 C ATOM 1466 OG SER A 97 -9.208 26.366 7.526 1.00 0.00 O ATOM 0 H SER A 97 -12.416 23.975 8.011 1.00 0.00 H new ATOM 0 HA SER A 97 -11.254 26.259 9.481 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.332 24.971 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.924 24.433 7.481 1.00 0.00 H new ATOM 0 HG SER A 97 -8.302 26.083 7.281 1.00 0.00 H new ATOM 1472 N GLY A 98 -12.160 25.877 6.320 1.00 0.00 N ATOM 1473 CA GLY A 98 -12.776 26.550 5.189 1.00 0.00 C ATOM 1474 C GLY A 98 -11.821 27.575 4.573 1.00 0.00 C ATOM 1475 O GLY A 98 -10.603 27.441 4.688 1.00 0.00 O ATOM 0 H GLY A 98 -11.895 24.907 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.062 25.816 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.690 27.048 5.512 1.00 0.00 H new TER 1479 GLY A 98