USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl -175:sc= -31.7! (180deg=-31.8!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc=-0.00696 USER MOD Set 2.1: A 68 GLN : amide:sc= -0.0049 X(o=-4.4,f=-4.7) USER MOD Set 2.2: A 71 GLN :FLIP amide:sc= -4.37! C(o=-8.8!,f=-4.4!) USER MOD Single : A 13 SER OG : rot 54:sc= -33.5! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -180:sc= -41.4! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 90:sc= -1.89 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.299 F(o=-2.6,f=-0.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -34! (180deg=-34.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= -0.529 USER MOD Single : A 57 MET CE :methyl -176:sc= -36.6! (180deg=-36.7!) USER MOD Single : A 60 MET CE :methyl -170:sc= -35.9! (180deg=-36!) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= -8.11! (180deg=-8.13!) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -32.8! (180deg=-33.2!) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -9.93! C(o=-13!,f=-9.9!) USER MOD Single : A 75 MET CE :methyl -127:sc= -34.4! (180deg=-34.6!) USER MOD Single : A 84 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.71) USER MOD Single : A 85 SER OG : rot 114:sc= -9.49! USER MOD Single : A 92 SER OG : rot -71:sc= -30.8! USER MOD Single : A 94 TYR OH : rot 67:sc= 0.234 USER MOD Single : A 95 GLN : amide:sc= 1.12 K(o=1.1,f=-1.7!) USER MOD Single : A 96 GLN : amide:sc= -8.58! C(o=-8.6!,f=-23!) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 104 LYS NZ :NH3+ 125:sc= -8.72! (180deg=-9.6!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.792 -13.146 0.560 1.00 0.00 N ATOM 38 CA ARG A 3 12.468 -12.248 -0.040 1.00 0.00 C ATOM 39 C ARG A 3 12.109 -10.835 0.343 1.00 0.00 C ATOM 40 O ARG A 3 12.779 -10.015 0.324 1.00 0.00 O ATOM 41 CB ARG A 3 12.346 -12.445 -1.348 1.00 0.00 C ATOM 42 CG ARG A 3 11.983 -11.994 -2.407 1.00 0.00 C ATOM 43 CD ARG A 3 12.435 -12.667 -3.432 1.00 0.00 C ATOM 44 NE ARG A 3 12.578 -12.433 -4.207 1.00 0.00 N ATOM 45 CZ ARG A 3 12.690 -12.626 -4.932 1.00 0.00 C ATOM 46 NH1 ARG A 3 12.676 -13.057 -4.986 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.818 -12.385 -5.606 1.00 0.00 N ATOM 0 HA ARG A 3 13.507 -12.350 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.378 -12.692 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.787 -13.381 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.893 -11.985 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.312 -10.958 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.389 -13.070 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.749 -13.509 -3.526 1.00 0.00 H new ATOM 0 HE ARG A 3 12.628 -11.415 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.508 -13.666 -4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.811 -13.459 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.905 -11.384 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.911 -13.048 -6.376 1.00 0.00 H new ATOM 61 N GLY A 4 11.050 -10.555 0.690 1.00 0.00 N ATOM 62 CA GLY A 4 10.623 -9.240 1.069 1.00 0.00 C ATOM 63 C GLY A 4 10.320 -8.361 -0.121 1.00 0.00 C ATOM 64 O GLY A 4 11.183 -7.645 -0.604 1.00 0.00 O ATOM 0 H GLY A 4 10.303 -11.246 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.734 -9.317 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.399 -8.771 1.674 1.00 0.00 H new ATOM 68 N ILE A 5 9.095 -8.421 -0.604 1.00 0.00 N ATOM 69 CA ILE A 5 8.687 -7.627 -1.751 1.00 0.00 C ATOM 70 C ILE A 5 7.666 -6.569 -1.358 1.00 0.00 C ATOM 71 O ILE A 5 6.539 -6.889 -0.988 1.00 0.00 O ATOM 72 CB ILE A 5 8.085 -8.508 -2.858 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.949 -9.746 -3.086 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.934 -7.714 -4.145 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.172 -10.456 -2.645 1.00 0.00 C ATOM 0 H ILE A 5 8.360 -9.014 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 5 9.586 -7.139 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 5 7.096 -8.836 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.531 -10.160 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.916 -9.314 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.507 -8.352 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.276 -6.863 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.912 -7.357 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.836 -11.069 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.684 -10.168 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.277 -11.027 -2.398 1.00 0.00 H new ATOM 87 N VAL A 6 8.064 -5.308 -1.452 1.00 0.00 N ATOM 88 CA VAL A 6 7.175 -4.206 -1.119 1.00 0.00 C ATOM 89 C VAL A 6 6.729 -3.476 -2.378 1.00 0.00 C ATOM 90 O VAL A 6 7.553 -3.029 -3.168 1.00 0.00 O ATOM 91 CB VAL A 6 7.842 -3.194 -0.169 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.099 -2.634 -0.787 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.877 -2.081 0.184 1.00 0.00 C ATOM 0 H VAL A 6 8.995 -5.024 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 6 6.312 -4.641 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 6 8.116 -3.713 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.556 -1.921 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.799 -3.445 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.852 -2.130 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.366 -1.375 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.570 -1.564 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.000 -2.502 0.675 1.00 0.00 H new ATOM 103 N TRP A 7 5.425 -3.353 -2.557 1.00 0.00 N ATOM 104 CA TRP A 7 4.882 -2.669 -3.720 1.00 0.00 C ATOM 105 C TRP A 7 4.153 -1.402 -3.297 1.00 0.00 C ATOM 106 O TRP A 7 3.396 -1.401 -2.336 1.00 0.00 O ATOM 107 CB TRP A 7 3.961 -3.605 -4.501 1.00 0.00 C ATOM 108 CG TRP A 7 4.716 -4.569 -5.366 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.060 -4.805 -5.339 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.181 -5.425 -6.381 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.396 -5.739 -6.281 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.261 -6.142 -6.931 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.898 -5.656 -6.881 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.095 -7.068 -7.953 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.735 -6.579 -7.896 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.829 -7.275 -8.421 1.00 0.00 C ATOM 0 H TRP A 7 4.723 -3.717 -1.913 1.00 0.00 H new ATOM 0 HA TRP A 7 5.703 -2.379 -4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.338 -4.162 -3.801 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.291 -3.013 -5.124 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.758 -4.324 -4.670 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.339 -6.080 -6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.048 -5.123 -6.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.937 -7.605 -8.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.747 -6.766 -8.290 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.669 -7.991 -9.213 1.00 0.00 H new ATOM 127 N VAL A 8 4.415 -0.316 -4.002 1.00 0.00 N ATOM 128 CA VAL A 8 3.810 0.971 -3.680 1.00 0.00 C ATOM 129 C VAL A 8 3.030 1.535 -4.858 1.00 0.00 C ATOM 130 O VAL A 8 3.432 1.395 -6.001 1.00 0.00 O ATOM 131 CB VAL A 8 4.878 2.007 -3.267 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.348 2.918 -2.199 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.155 1.341 -2.811 1.00 0.00 C ATOM 0 H VAL A 8 5.044 -0.296 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 8 3.131 0.789 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 8 5.114 2.603 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.116 3.640 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.471 3.446 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.071 2.330 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.882 2.103 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.946 0.703 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.560 0.736 -3.622 1.00 0.00 H new ATOM 143 N VAL A 9 1.920 2.194 -4.570 1.00 0.00 N ATOM 144 CA VAL A 9 1.108 2.796 -5.616 1.00 0.00 C ATOM 145 C VAL A 9 0.924 4.284 -5.352 1.00 0.00 C ATOM 146 O VAL A 9 0.239 4.680 -4.415 1.00 0.00 O ATOM 147 CB VAL A 9 -0.271 2.114 -5.753 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.469 1.579 -7.021 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.482 1.103 -4.822 1.00 0.00 C ATOM 0 H VAL A 9 1.561 2.326 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 9 1.641 2.653 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.987 2.915 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.452 1.110 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.409 2.374 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.299 0.833 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.469 0.667 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.278 0.331 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.420 1.517 -3.815 1.00 0.00 H new ATOM 159 N ASP A 10 1.560 5.104 -6.177 1.00 0.00 N ATOM 160 CA ASP A 10 1.488 6.550 -6.028 1.00 0.00 C ATOM 161 C ASP A 10 1.969 7.251 -7.279 1.00 0.00 C ATOM 162 O ASP A 10 2.221 6.853 -8.040 1.00 0.00 O ATOM 163 CB ASP A 10 2.313 6.991 -4.835 1.00 0.00 C ATOM 164 CG ASP A 10 2.035 7.920 -4.274 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.876 8.359 -4.289 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.980 8.208 -3.823 1.00 0.00 O ATOM 0 H ASP A 10 2.134 4.790 -6.960 1.00 0.00 H new ATOM 0 HA ASP A 10 0.446 6.823 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.314 6.169 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.340 7.115 -5.179 1.00 0.00 H new ATOM 171 N ASP A 11 2.081 8.299 -7.483 1.00 0.00 N ATOM 172 CA ASP A 11 2.509 9.062 -8.645 1.00 0.00 C ATOM 173 C ASP A 11 3.749 8.493 -9.297 1.00 0.00 C ATOM 174 O ASP A 11 4.076 8.868 -10.284 1.00 0.00 O ATOM 175 CB ASP A 11 2.756 10.498 -8.255 1.00 0.00 C ATOM 176 CG ASP A 11 1.996 11.328 -8.668 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.604 11.405 -8.873 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.792 11.902 -8.787 1.00 0.00 O ATOM 0 HA ASP A 11 1.703 9.002 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.754 10.554 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.759 10.767 -8.587 1.00 0.00 H new ATOM 183 N ASP A 12 4.436 7.589 -8.753 1.00 0.00 N ATOM 184 CA ASP A 12 5.633 6.981 -9.301 1.00 0.00 C ATOM 185 C ASP A 12 6.818 7.881 -9.176 1.00 0.00 C ATOM 186 O ASP A 12 6.880 8.582 -8.292 1.00 0.00 O ATOM 187 CB ASP A 12 5.440 6.605 -10.746 1.00 0.00 C ATOM 188 CG ASP A 12 5.897 5.764 -11.303 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.320 5.561 -11.500 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.830 5.312 -11.543 1.00 0.00 O ATOM 0 H ASP A 12 4.187 7.201 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 12 5.820 6.079 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.365 6.470 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.711 7.498 -11.309 1.00 0.00 H new ATOM 195 N SER A 13 7.750 7.858 -10.075 1.00 0.00 N ATOM 196 CA SER A 13 8.932 8.661 -10.091 1.00 0.00 C ATOM 197 C SER A 13 9.343 9.210 -8.738 1.00 0.00 C ATOM 198 O SER A 13 10.160 8.627 -8.054 1.00 0.00 O ATOM 199 CB SER A 13 8.744 9.746 -11.055 1.00 0.00 C ATOM 200 OG SER A 13 9.115 10.202 -11.380 1.00 0.00 O ATOM 0 H SER A 13 7.701 7.230 -10.877 1.00 0.00 H new ATOM 0 HA SER A 13 9.755 8.010 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.236 9.238 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.001 10.369 -10.557 1.00 0.00 H new ATOM 0 HG SER A 13 9.844 9.752 -11.856 1.00 0.00 H new ATOM 206 N SER A 14 8.785 10.335 -8.366 1.00 0.00 N ATOM 207 CA SER A 14 9.103 10.966 -7.103 1.00 0.00 C ATOM 208 C SER A 14 8.870 10.025 -5.937 1.00 0.00 C ATOM 209 O SER A 14 9.770 9.757 -5.158 1.00 0.00 O ATOM 210 CB SER A 14 8.276 12.220 -6.918 1.00 0.00 C ATOM 211 OG SER A 14 8.808 13.094 -6.449 1.00 0.00 O ATOM 0 H SER A 14 8.099 10.841 -8.926 1.00 0.00 H new ATOM 0 HA SER A 14 10.161 11.228 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.898 12.530 -7.892 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.410 11.974 -6.303 1.00 0.00 H new ATOM 0 HG SER A 14 8.191 13.852 -6.375 1.00 0.00 H new ATOM 217 N ILE A 15 7.662 9.523 -5.818 1.00 0.00 N ATOM 218 CA ILE A 15 7.327 8.613 -4.741 1.00 0.00 C ATOM 219 C ILE A 15 8.100 7.312 -4.863 1.00 0.00 C ATOM 220 O ILE A 15 8.325 6.619 -3.875 1.00 0.00 O ATOM 221 CB ILE A 15 5.822 8.309 -4.701 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.014 9.601 -4.784 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.479 7.544 -3.440 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.225 10.521 -3.609 1.00 0.00 C ATOM 0 H ILE A 15 6.892 9.729 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 15 7.606 9.110 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 15 5.566 7.692 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.281 10.128 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.955 9.353 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.410 7.334 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.034 6.606 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.746 8.141 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.620 11.418 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.931 10.012 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.277 10.799 -3.549 1.00 0.00 H new ATOM 236 N ARG A 16 8.505 6.988 -6.079 1.00 0.00 N ATOM 237 CA ARG A 16 9.256 5.770 -6.332 1.00 0.00 C ATOM 238 C ARG A 16 10.677 5.880 -5.802 1.00 0.00 C ATOM 239 O ARG A 16 11.161 5.007 -5.100 1.00 0.00 O ATOM 240 CB ARG A 16 9.286 5.468 -7.826 1.00 0.00 C ATOM 241 CG ARG A 16 9.967 4.353 -8.223 1.00 0.00 C ATOM 242 CD ARG A 16 10.579 4.319 -9.486 1.00 0.00 C ATOM 243 NE ARG A 16 10.751 3.872 -10.266 1.00 0.00 N ATOM 244 CZ ARG A 16 11.173 3.526 -11.167 1.00 0.00 C ATOM 245 NH1 ARG A 16 11.468 3.570 -11.412 1.00 0.00 N ATOM 246 NH2 ARG A 16 11.301 3.133 -11.828 1.00 0.00 N ATOM 0 H ARG A 16 8.326 7.553 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 16 8.756 4.955 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.257 5.377 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.719 6.328 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.743 4.165 -7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.272 3.514 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.163 5.237 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.603 4.540 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 16 9.936 3.259 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.190 4.265 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.526 2.991 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.646 2.410 -12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.123 3.342 -12.395 1.00 0.00 H new ATOM 260 N TRP A 17 11.346 6.951 -6.152 1.00 0.00 N ATOM 261 CA TRP A 17 12.717 7.164 -5.723 1.00 0.00 C ATOM 262 C TRP A 17 12.842 7.221 -4.206 1.00 0.00 C ATOM 263 O TRP A 17 13.770 6.659 -3.635 1.00 0.00 O ATOM 264 CB TRP A 17 13.270 8.447 -6.330 1.00 0.00 C ATOM 265 CG TRP A 17 14.721 8.633 -6.060 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.749 8.050 -6.708 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.306 9.449 -5.061 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.938 8.455 -6.175 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.692 9.315 -5.162 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.792 10.283 -4.091 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.570 9.982 -4.331 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.664 10.944 -3.266 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.039 10.791 -3.390 1.00 0.00 C ATOM 0 H TRP A 17 10.966 7.696 -6.736 1.00 0.00 H new ATOM 0 HA TRP A 17 13.298 6.311 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.104 8.435 -7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.719 9.299 -5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.646 7.360 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.861 8.157 -6.490 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.725 10.413 -3.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.639 9.861 -4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.273 11.599 -2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.695 11.329 -2.722 1.00 0.00 H new ATOM 284 N VAL A 18 11.922 7.922 -3.561 1.00 0.00 N ATOM 285 CA VAL A 18 11.959 8.072 -2.113 1.00 0.00 C ATOM 286 C VAL A 18 11.736 6.758 -1.379 1.00 0.00 C ATOM 287 O VAL A 18 12.454 6.432 -0.445 1.00 0.00 O ATOM 288 CB VAL A 18 10.920 9.091 -1.610 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.259 9.538 -0.207 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.821 10.284 -2.539 1.00 0.00 C ATOM 0 H VAL A 18 11.141 8.396 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 18 12.964 8.434 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 18 9.947 8.599 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.516 10.258 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.262 8.675 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.245 10.004 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.079 10.984 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.790 10.780 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.523 9.948 -3.532 1.00 0.00 H new ATOM 300 N LEU A 19 10.719 6.032 -1.780 1.00 0.00 N ATOM 301 CA LEU A 19 10.375 4.775 -1.133 1.00 0.00 C ATOM 302 C LEU A 19 11.228 3.606 -1.607 1.00 0.00 C ATOM 303 O LEU A 19 11.449 2.658 -0.866 1.00 0.00 O ATOM 304 CB LEU A 19 8.897 4.455 -1.341 1.00 0.00 C ATOM 305 CG LEU A 19 8.121 4.244 -0.159 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.170 4.036 0.442 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.607 4.535 0.428 1.00 0.00 C ATOM 0 H LEU A 19 10.108 6.287 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 19 10.579 4.910 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.446 5.272 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.825 3.562 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 19 8.118 4.022 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.197 4.098 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.511 3.001 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.886 4.654 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.366 3.736 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.091 5.353 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.691 4.898 -0.038 1.00 0.00 H new ATOM 319 N GLU A 20 11.691 3.657 -2.833 1.00 0.00 N ATOM 320 CA GLU A 20 12.494 2.570 -3.371 1.00 0.00 C ATOM 321 C GLU A 20 13.835 2.455 -2.682 1.00 0.00 C ATOM 322 O GLU A 20 14.164 1.421 -2.113 1.00 0.00 O ATOM 323 CB GLU A 20 12.685 2.720 -4.873 1.00 0.00 C ATOM 324 CG GLU A 20 13.348 3.778 -5.266 1.00 0.00 C ATOM 325 CD GLU A 20 13.454 3.836 -6.494 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.939 3.950 -6.963 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.055 3.768 -6.988 1.00 0.00 O ATOM 0 H GLU A 20 11.531 4.431 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 20 11.943 1.649 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.201 1.834 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.702 2.736 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.844 4.674 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.342 3.768 -4.818 1.00 0.00 H new ATOM 334 N ARG A 21 14.606 3.511 -2.748 1.00 0.00 N ATOM 335 CA ARG A 21 15.923 3.523 -2.146 1.00 0.00 C ATOM 336 C ARG A 21 15.863 3.262 -0.655 1.00 0.00 C ATOM 337 O ARG A 21 16.574 2.407 -0.148 1.00 0.00 O ATOM 338 CB ARG A 21 16.609 4.855 -2.413 1.00 0.00 C ATOM 339 CG ARG A 21 16.968 5.062 -3.859 1.00 0.00 C ATOM 340 CD ARG A 21 18.343 4.933 -4.110 1.00 0.00 C ATOM 341 NE ARG A 21 18.746 5.043 -4.824 1.00 0.00 N ATOM 342 CZ ARG A 21 19.559 4.858 -5.044 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.061 4.553 -4.606 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.870 4.980 -5.704 1.00 0.00 N ATOM 0 H ARG A 21 14.346 4.380 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 21 16.500 2.718 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.954 5.664 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.514 4.917 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.424 4.340 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.640 6.054 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.824 5.612 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.594 3.920 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 21 18.190 5.467 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.820 4.310 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.001 4.371 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.325 5.405 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.844 4.724 -5.864 1.00 0.00 H new ATOM 358 N ALA A 22 15.024 4.007 0.047 1.00 0.00 N ATOM 359 CA ALA A 22 14.894 3.851 1.482 1.00 0.00 C ATOM 360 C ALA A 22 14.506 2.437 1.862 1.00 0.00 C ATOM 361 O ALA A 22 15.086 1.847 2.762 1.00 0.00 O ATOM 362 CB ALA A 22 13.900 4.851 2.030 1.00 0.00 C ATOM 0 H ALA A 22 14.423 4.726 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 22 15.869 4.046 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.812 4.723 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.243 5.862 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.927 4.690 1.565 1.00 0.00 H new ATOM 368 N LEU A 23 13.534 1.895 1.170 1.00 0.00 N ATOM 369 CA LEU A 23 13.082 0.541 1.438 1.00 0.00 C ATOM 370 C LEU A 23 14.114 -0.466 0.961 1.00 0.00 C ATOM 371 O LEU A 23 14.224 -1.569 1.496 1.00 0.00 O ATOM 372 CB LEU A 23 11.732 0.282 0.783 1.00 0.00 C ATOM 373 CG LEU A 23 10.841 -0.629 1.470 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.728 -1.047 1.721 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.302 -0.948 2.012 1.00 0.00 C ATOM 0 H LEU A 23 13.037 2.367 0.415 1.00 0.00 H new ATOM 0 HA LEU A 23 12.961 0.426 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.220 1.238 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.909 -0.107 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 23 11.144 0.057 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.664 -1.054 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.970 -1.916 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.304 -1.083 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.082 -1.981 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.732 -0.919 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.381 -0.365 1.996 1.00 0.00 H new ATOM 387 N ALA A 24 14.894 -0.068 -0.029 1.00 0.00 N ATOM 388 CA ALA A 24 15.938 -0.923 -0.544 1.00 0.00 C ATOM 389 C ALA A 24 16.998 -1.098 0.521 1.00 0.00 C ATOM 390 O ALA A 24 17.586 -2.168 0.660 1.00 0.00 O ATOM 391 CB ALA A 24 16.535 -0.344 -1.812 1.00 0.00 C ATOM 0 H ALA A 24 14.821 0.840 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 24 15.517 -1.896 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.319 -1.006 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.757 -0.247 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.959 0.637 -1.599 1.00 0.00 H new ATOM 397 N GLY A 25 17.214 -0.041 1.297 1.00 0.00 N ATOM 398 CA GLY A 25 18.175 -0.111 2.367 1.00 0.00 C ATOM 399 C GLY A 25 17.766 -1.136 3.396 1.00 0.00 C ATOM 400 O GLY A 25 18.605 -1.701 4.091 1.00 0.00 O ATOM 0 H GLY A 25 16.740 0.857 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.155 -0.366 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.270 0.866 2.840 1.00 0.00 H new ATOM 404 N ALA A 26 16.464 -1.383 3.481 1.00 0.00 N ATOM 405 CA ALA A 26 15.932 -2.352 4.414 1.00 0.00 C ATOM 406 C ALA A 26 16.149 -3.772 3.907 1.00 0.00 C ATOM 407 O ALA A 26 16.056 -4.731 4.666 1.00 0.00 O ATOM 408 CB ALA A 26 14.458 -2.093 4.658 1.00 0.00 C ATOM 0 H ALA A 26 15.759 -0.919 2.909 1.00 0.00 H new ATOM 0 HA ALA A 26 16.466 -2.246 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.071 -2.830 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.328 -1.093 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.914 -2.170 3.716 1.00 0.00 H new ATOM 414 N GLY A 27 16.462 -3.896 2.623 1.00 0.00 N ATOM 415 CA GLY A 27 16.712 -5.200 2.051 1.00 0.00 C ATOM 416 C GLY A 27 15.520 -5.802 1.337 1.00 0.00 C ATOM 417 O GLY A 27 15.420 -7.021 1.238 1.00 0.00 O ATOM 0 H GLY A 27 16.546 -3.117 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.542 -5.123 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.027 -5.878 2.844 1.00 0.00 H new ATOM 421 N LEU A 28 14.610 -4.973 0.834 1.00 0.00 N ATOM 422 CA LEU A 28 13.445 -5.491 0.138 1.00 0.00 C ATOM 423 C LEU A 28 13.288 -4.888 -1.249 1.00 0.00 C ATOM 424 O LEU A 28 13.954 -3.923 -1.597 1.00 0.00 O ATOM 425 CB LEU A 28 12.179 -5.258 0.948 1.00 0.00 C ATOM 426 CG LEU A 28 12.391 -5.095 2.445 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.601 -3.652 2.790 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.225 -5.671 3.210 1.00 0.00 C ATOM 0 H LEU A 28 14.658 -3.956 0.895 1.00 0.00 H new ATOM 0 HA LEU A 28 13.603 -6.563 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.682 -4.365 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.501 -6.095 0.782 1.00 0.00 H new ATOM 0 HG LEU A 28 13.287 -5.645 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.751 -3.553 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.479 -3.276 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.726 -3.075 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.394 -5.546 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.310 -5.152 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.127 -6.732 2.980 1.00 0.00 H new ATOM 440 N THR A 29 12.393 -5.471 -2.036 1.00 0.00 N ATOM 441 CA THR A 29 12.131 -5.002 -3.390 1.00 0.00 C ATOM 442 C THR A 29 10.998 -3.990 -3.396 1.00 0.00 C ATOM 443 O THR A 29 9.876 -4.308 -3.070 1.00 0.00 O ATOM 444 CB THR A 29 11.788 -6.174 -4.297 1.00 0.00 C ATOM 445 OG1 THR A 29 12.893 -7.033 -4.432 1.00 0.00 O ATOM 446 CG2 THR A 29 11.349 -5.763 -5.684 1.00 0.00 C ATOM 0 H THR A 29 11.832 -6.276 -1.757 1.00 0.00 H new ATOM 0 HA THR A 29 13.032 -4.517 -3.765 1.00 0.00 H new ATOM 0 HB THR A 29 10.950 -6.675 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.655 -7.782 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.122 -6.652 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.459 -5.137 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.149 -5.203 -6.168 1.00 0.00 H new ATOM 454 N CYS A 30 11.302 -2.770 -3.758 1.00 0.00 N ATOM 455 CA CYS A 30 10.314 -1.705 -3.791 1.00 0.00 C ATOM 456 C CYS A 30 9.994 -1.266 -5.211 1.00 0.00 C ATOM 457 O CYS A 30 10.830 -0.687 -5.897 1.00 0.00 O ATOM 458 CB CYS A 30 10.811 -0.518 -2.985 1.00 0.00 C ATOM 459 SG CYS A 30 10.511 0.293 -2.741 1.00 0.00 S ATOM 0 H CYS A 30 12.239 -2.480 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 30 9.395 -2.094 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.058 -0.974 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.754 -0.280 -3.477 1.00 0.00 H new ATOM 0 HG CYS A 30 11.417 0.894 -2.028 1.00 0.00 H new ATOM 465 N THR A 31 8.763 -1.520 -5.636 1.00 0.00 N ATOM 466 CA THR A 31 8.311 -1.127 -6.961 1.00 0.00 C ATOM 467 C THR A 31 7.087 -0.230 -6.815 1.00 0.00 C ATOM 468 O THR A 31 6.306 -0.399 -5.894 1.00 0.00 O ATOM 469 CB THR A 31 7.983 -2.355 -7.820 1.00 0.00 C ATOM 470 OG1 THR A 31 8.023 -2.023 -9.195 1.00 0.00 O ATOM 471 CG2 THR A 31 6.616 -2.931 -7.553 1.00 0.00 C ATOM 0 H THR A 31 8.057 -1.999 -5.077 1.00 0.00 H new ATOM 0 HA THR A 31 9.108 -0.582 -7.466 1.00 0.00 H new ATOM 0 HB THR A 31 8.737 -3.096 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.813 -2.817 -9.730 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.454 -3.796 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.548 -3.237 -6.509 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.857 -2.177 -7.761 1.00 0.00 H new ATOM 479 N THR A 32 6.929 0.732 -7.697 1.00 0.00 N ATOM 480 CA THR A 32 5.804 1.649 -7.614 1.00 0.00 C ATOM 481 C THR A 32 4.920 1.589 -8.849 1.00 0.00 C ATOM 482 O THR A 32 5.310 1.068 -9.886 1.00 0.00 O ATOM 483 CB THR A 32 6.302 3.063 -7.382 1.00 0.00 C ATOM 484 OG1 THR A 32 7.046 3.521 -8.487 1.00 0.00 O ATOM 485 CG2 THR A 32 7.174 3.168 -6.158 1.00 0.00 C ATOM 0 H THR A 32 7.561 0.903 -8.479 1.00 0.00 H new ATOM 0 HA THR A 32 5.190 1.340 -6.768 1.00 0.00 H new ATOM 0 HB THR A 32 5.413 3.677 -7.239 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.446 3.960 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.505 4.199 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.606 2.862 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.042 2.519 -6.273 1.00 0.00 H new ATOM 493 N PHE A 33 3.709 2.107 -8.706 1.00 0.00 N ATOM 494 CA PHE A 33 2.728 2.101 -9.777 1.00 0.00 C ATOM 495 C PHE A 33 2.057 3.462 -9.935 1.00 0.00 C ATOM 496 O PHE A 33 2.303 4.374 -9.156 1.00 0.00 O ATOM 497 CB PHE A 33 1.693 1.019 -9.525 1.00 0.00 C ATOM 498 CG PHE A 33 2.280 -0.355 -9.354 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.855 -0.809 -8.745 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.257 -1.191 -9.803 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.397 -2.067 -8.585 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.795 -2.451 -9.646 1.00 0.00 C ATOM 503 CZ PHE A 33 3.365 -2.892 -9.040 1.00 0.00 C ATOM 0 H PHE A 33 3.381 2.543 -7.844 1.00 0.00 H new ATOM 0 HA PHE A 33 3.249 1.887 -10.710 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.124 1.275 -8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.989 1.002 -10.357 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.174 -0.149 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.635 -1.141 -10.684 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.023 -2.121 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.474 -3.115 -10.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.785 -3.880 -8.922 1.00 0.00 H new ATOM 513 N GLU A 34 1.239 3.596 -10.976 1.00 0.00 N ATOM 514 CA GLU A 34 0.559 4.850 -11.283 1.00 0.00 C ATOM 515 C GLU A 34 -0.400 5.292 -10.186 1.00 0.00 C ATOM 516 O GLU A 34 -0.408 6.377 -9.808 1.00 0.00 O ATOM 517 CB GLU A 34 -0.204 4.717 -12.600 1.00 0.00 C ATOM 518 CG GLU A 34 -1.339 3.753 -12.568 1.00 0.00 C ATOM 519 CD GLU A 34 -2.103 3.414 -12.932 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.960 4.028 -13.639 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.845 2.532 -12.507 1.00 0.00 O ATOM 0 H GLU A 34 1.030 2.840 -11.628 1.00 0.00 H new ATOM 0 HA GLU A 34 1.332 5.615 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.586 5.698 -12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.494 4.410 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.767 2.828 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.717 3.976 -11.570 1.00 0.00 H new ATOM 528 N ASN A 35 -1.210 4.474 -9.683 1.00 0.00 N ATOM 529 CA ASN A 35 -2.155 4.839 -8.650 1.00 0.00 C ATOM 530 C ASN A 35 -2.679 3.646 -7.913 1.00 0.00 C ATOM 531 O ASN A 35 -2.583 3.496 -7.045 1.00 0.00 O ATOM 532 CB ASN A 35 -3.310 5.616 -9.248 1.00 0.00 C ATOM 533 CG ASN A 35 -3.652 6.336 -9.221 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.766 6.452 -9.248 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.817 6.824 -9.166 1.00 0.00 N ATOM 0 H ASN A 35 -1.263 3.495 -9.963 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.621 5.463 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.114 5.509 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.153 4.967 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.713 7.107 -9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.246 7.502 -8.661 1.00 0.00 H new ATOM 542 N GLY A 36 -3.240 2.807 -8.255 1.00 0.00 N ATOM 543 CA GLY A 36 -3.780 1.643 -7.607 1.00 0.00 C ATOM 544 C GLY A 36 -4.157 0.547 -8.568 1.00 0.00 C ATOM 545 O GLY A 36 -3.881 -0.605 -8.331 1.00 0.00 O ATOM 0 HA2 GLY A 36 -3.048 1.258 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.660 1.931 -7.032 1.00 0.00 H new ATOM 549 N ASN A 37 -4.796 0.901 -9.650 1.00 0.00 N ATOM 550 CA ASN A 37 -5.221 -0.070 -10.639 1.00 0.00 C ATOM 551 C ASN A 37 -4.036 -0.822 -11.221 1.00 0.00 C ATOM 552 O ASN A 37 -4.142 -1.995 -11.559 1.00 0.00 O ATOM 553 CB ASN A 37 -6.012 0.611 -11.746 1.00 0.00 C ATOM 554 CG ASN A 37 -7.389 0.339 -11.722 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.118 -0.161 -10.915 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.793 0.574 -12.419 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.039 1.865 -9.876 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.865 -0.794 -10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.865 1.688 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.609 0.300 -12.710 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.279 1.014 -13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.798 0.420 -12.503 1.00 0.00 H new ATOM 563 N GLU A 38 -2.910 -0.143 -11.335 1.00 0.00 N ATOM 564 CA GLU A 38 -1.714 -0.758 -11.877 1.00 0.00 C ATOM 565 C GLU A 38 -1.320 -2.002 -11.085 1.00 0.00 C ATOM 566 O GLU A 38 -1.179 -3.079 -11.659 1.00 0.00 O ATOM 567 CB GLU A 38 -0.570 0.241 -11.880 1.00 0.00 C ATOM 568 CG GLU A 38 0.227 0.266 -13.074 1.00 0.00 C ATOM 569 CD GLU A 38 1.110 0.263 -13.325 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.466 0.348 -13.396 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.444 0.177 -13.447 1.00 0.00 O ATOM 0 H GLU A 38 -2.799 0.833 -11.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.928 -1.065 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.981 1.237 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.082 0.023 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.165 -0.590 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.145 1.161 -13.573 1.00 0.00 H new ATOM 578 N VAL A 39 -1.141 -1.867 -9.767 1.00 0.00 N ATOM 579 CA VAL A 39 -0.762 -3.017 -8.948 1.00 0.00 C ATOM 580 C VAL A 39 -1.726 -4.172 -9.160 1.00 0.00 C ATOM 581 O VAL A 39 -1.326 -5.328 -9.185 1.00 0.00 O ATOM 582 CB VAL A 39 -0.715 -2.688 -7.448 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.140 -3.823 -6.667 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.069 -1.453 -7.196 1.00 0.00 C ATOM 0 H VAL A 39 -1.250 -0.991 -9.255 1.00 0.00 H new ATOM 0 HA VAL A 39 0.241 -3.297 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.741 -2.523 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.119 -3.563 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.755 -4.711 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.874 -4.025 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.085 -1.244 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.089 -1.590 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.391 -0.616 -7.722 1.00 0.00 H new ATOM 594 N LEU A 40 -2.997 -3.852 -9.315 1.00 0.00 N ATOM 595 CA LEU A 40 -4.017 -4.867 -9.529 1.00 0.00 C ATOM 596 C LEU A 40 -3.680 -5.719 -10.740 1.00 0.00 C ATOM 597 O LEU A 40 -3.785 -6.939 -10.700 1.00 0.00 O ATOM 598 CB LEU A 40 -5.382 -4.219 -9.715 1.00 0.00 C ATOM 599 CG LEU A 40 -5.711 -3.102 -8.736 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.092 -2.552 -8.998 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.603 -3.596 -7.313 1.00 0.00 C ATOM 0 H LEU A 40 -3.351 -2.895 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.047 -5.508 -8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.442 -3.821 -10.728 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.147 -4.991 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.988 -2.299 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.307 -1.754 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.140 -2.156 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.828 -3.348 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.842 -2.784 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.302 -4.418 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.587 -3.943 -7.125 1.00 0.00 H new ATOM 613 N ALA A 41 -3.271 -5.065 -11.815 1.00 0.00 N ATOM 614 CA ALA A 41 -2.912 -5.759 -13.040 1.00 0.00 C ATOM 615 C ALA A 41 -1.644 -6.569 -12.860 1.00 0.00 C ATOM 616 O ALA A 41 -1.584 -7.742 -13.212 1.00 0.00 O ATOM 617 CB ALA A 41 -2.746 -4.770 -14.172 1.00 0.00 C ATOM 0 H ALA A 41 -3.179 -4.050 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.720 -6.448 -13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.477 -5.303 -15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.682 -4.234 -14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.959 -4.059 -13.922 1.00 0.00 H new ATOM 623 N ALA A 42 -0.637 -5.929 -12.305 1.00 0.00 N ATOM 624 CA ALA A 42 0.642 -6.573 -12.063 1.00 0.00 C ATOM 625 C ALA A 42 0.500 -7.698 -11.052 1.00 0.00 C ATOM 626 O ALA A 42 1.218 -8.692 -11.110 1.00 0.00 O ATOM 627 CB ALA A 42 1.666 -5.558 -11.585 1.00 0.00 C ATOM 0 H ALA A 42 -0.678 -4.954 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 42 0.989 -7.002 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.619 -6.058 -11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.796 -4.787 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.319 -5.100 -10.659 1.00 0.00 H new ATOM 633 N LEU A 43 -0.428 -7.530 -10.125 1.00 0.00 N ATOM 634 CA LEU A 43 -0.668 -8.524 -9.094 1.00 0.00 C ATOM 635 C LEU A 43 -1.174 -9.831 -9.686 1.00 0.00 C ATOM 636 O LEU A 43 -1.013 -10.895 -9.093 1.00 0.00 O ATOM 637 CB LEU A 43 -1.669 -7.997 -8.079 1.00 0.00 C ATOM 638 CG LEU A 43 -1.071 -7.186 -6.946 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.121 -6.377 -6.256 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.388 -8.085 -5.973 1.00 0.00 C ATOM 0 H LEU A 43 -1.031 -6.709 -10.066 1.00 0.00 H new ATOM 0 HA LEU A 43 0.282 -8.722 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.400 -7.379 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.211 -8.842 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.337 -6.500 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.666 -5.805 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.582 -5.694 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.882 -7.042 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.037 -7.490 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.109 -8.792 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.408 -8.631 -6.479 1.00 0.00 H new ATOM 652 N ALA A 44 -1.789 -9.744 -10.853 1.00 0.00 N ATOM 653 CA ALA A 44 -2.323 -10.919 -11.523 1.00 0.00 C ATOM 654 C ALA A 44 -1.244 -11.966 -11.767 1.00 0.00 C ATOM 655 O ALA A 44 -1.545 -13.133 -12.004 1.00 0.00 O ATOM 656 CB ALA A 44 -2.979 -10.524 -12.835 1.00 0.00 C ATOM 0 H ALA A 44 -1.932 -8.869 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.073 -11.362 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.374 -11.413 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.792 -9.825 -12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.241 -10.050 -13.482 1.00 0.00 H new ATOM 662 N SER A 45 0.014 -11.544 -11.714 1.00 0.00 N ATOM 663 CA SER A 45 1.128 -12.447 -11.937 1.00 0.00 C ATOM 664 C SER A 45 2.103 -12.464 -10.763 1.00 0.00 C ATOM 665 O SER A 45 3.104 -13.177 -10.798 1.00 0.00 O ATOM 666 CB SER A 45 1.863 -12.064 -13.213 1.00 0.00 C ATOM 667 OG SER A 45 2.121 -12.838 -13.888 1.00 0.00 O ATOM 0 H SER A 45 0.284 -10.580 -11.518 1.00 0.00 H new ATOM 0 HA SER A 45 0.716 -13.451 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.246 -11.343 -13.750 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.781 -11.549 -12.929 1.00 0.00 H new ATOM 0 HG SER A 45 2.585 -12.456 -14.662 1.00 0.00 H new ATOM 673 N LYS A 46 1.818 -11.682 -9.725 1.00 0.00 N ATOM 674 CA LYS A 46 2.689 -11.634 -8.562 1.00 0.00 C ATOM 675 C LYS A 46 1.980 -11.037 -7.358 1.00 0.00 C ATOM 676 O LYS A 46 0.980 -10.348 -7.499 1.00 0.00 O ATOM 677 CB LYS A 46 3.938 -10.825 -8.868 1.00 0.00 C ATOM 678 CG LYS A 46 5.189 -11.404 -8.277 1.00 0.00 C ATOM 679 CD LYS A 46 5.997 -10.561 -7.571 1.00 0.00 C ATOM 680 CE LYS A 46 7.282 -10.860 -7.352 1.00 0.00 C ATOM 681 NZ LYS A 46 7.941 -10.391 -7.260 1.00 0.00 N ATOM 0 H LYS A 46 0.997 -11.079 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 46 2.969 -12.660 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.057 -10.752 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.805 -9.811 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.903 -12.225 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.777 -11.834 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.976 -9.598 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.532 -10.416 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.262 -11.468 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.543 -11.524 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.682 -10.927 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.291 -10.097 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.693 -9.549 -6.702 1.00 0.00 H new ATOM 695 N THR A 47 2.508 -11.303 -6.173 1.00 0.00 N ATOM 696 CA THR A 47 1.934 -10.787 -4.948 1.00 0.00 C ATOM 697 C THR A 47 3.015 -10.318 -3.980 1.00 0.00 C ATOM 698 O THR A 47 3.790 -11.121 -3.478 1.00 0.00 O ATOM 699 CB THR A 47 1.071 -11.849 -4.280 1.00 0.00 C ATOM 700 OG1 THR A 47 0.011 -12.232 -5.128 1.00 0.00 O ATOM 701 CG2 THR A 47 0.475 -11.401 -2.967 1.00 0.00 C ATOM 0 H THR A 47 3.339 -11.878 -6.038 1.00 0.00 H new ATOM 0 HA THR A 47 1.315 -9.929 -5.209 1.00 0.00 H new ATOM 0 HB THR A 47 1.742 -12.685 -4.083 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.532 -12.916 -4.684 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.127 -12.207 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.275 -11.146 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.154 -10.526 -3.133 1.00 0.00 H new ATOM 709 N PRO A 48 3.076 -9.011 -3.685 1.00 0.00 N ATOM 710 CA PRO A 48 4.058 -8.464 -2.758 1.00 0.00 C ATOM 711 C PRO A 48 3.699 -8.776 -1.314 1.00 0.00 C ATOM 712 O PRO A 48 2.551 -9.076 -1.007 1.00 0.00 O ATOM 713 CB PRO A 48 3.988 -6.966 -3.011 1.00 0.00 C ATOM 714 CG PRO A 48 2.601 -6.732 -3.480 1.00 0.00 C ATOM 715 CD PRO A 48 2.189 -7.971 -4.218 1.00 0.00 C ATOM 0 HA PRO A 48 5.052 -8.884 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.201 -6.400 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.717 -6.655 -3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.934 -6.541 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.553 -5.859 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.141 -8.211 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.312 -7.854 -5.295 1.00 0.00 H new ATOM 723 N ASP A 49 4.682 -8.711 -0.431 1.00 0.00 N ATOM 724 CA ASP A 49 4.449 -8.996 0.974 1.00 0.00 C ATOM 725 C ASP A 49 3.726 -7.842 1.655 1.00 0.00 C ATOM 726 O ASP A 49 3.031 -8.034 2.641 1.00 0.00 O ATOM 727 CB ASP A 49 5.767 -9.279 1.688 1.00 0.00 C ATOM 728 CG ASP A 49 6.419 -10.463 1.244 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.108 -11.379 1.661 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.242 -10.473 0.480 1.00 0.00 O ATOM 0 H ASP A 49 5.645 -8.464 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 49 3.816 -9.881 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.437 -8.431 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.579 -9.359 2.759 1.00 0.00 H new ATOM 735 N VAL A 50 3.895 -6.640 1.130 1.00 0.00 N ATOM 736 CA VAL A 50 3.262 -5.461 1.697 1.00 0.00 C ATOM 737 C VAL A 50 2.888 -4.465 0.602 1.00 0.00 C ATOM 738 O VAL A 50 3.561 -4.191 -0.195 1.00 0.00 O ATOM 739 CB VAL A 50 4.200 -4.791 2.709 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.502 -4.407 2.040 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.539 -3.587 3.351 1.00 0.00 C ATOM 0 H VAL A 50 4.469 -6.455 0.307 1.00 0.00 H new ATOM 0 HA VAL A 50 2.351 -5.777 2.205 1.00 0.00 H new ATOM 0 HB VAL A 50 4.419 -5.506 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.159 -3.932 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.985 -5.300 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.301 -3.711 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.226 -3.132 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.281 -2.860 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.634 -3.903 3.870 1.00 0.00 H new ATOM 751 N LEU A 51 1.809 -3.934 0.558 1.00 0.00 N ATOM 752 CA LEU A 51 1.354 -2.984 -0.453 1.00 0.00 C ATOM 753 C LEU A 51 0.981 -1.640 0.165 1.00 0.00 C ATOM 754 O LEU A 51 0.300 -1.579 1.166 1.00 0.00 O ATOM 755 CB LEU A 51 0.161 -3.560 -1.215 1.00 0.00 C ATOM 756 CG LEU A 51 -0.179 -2.866 -2.525 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.979 -2.947 -3.490 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.426 -3.469 -3.137 1.00 0.00 C ATOM 0 H LEU A 51 1.094 -4.119 1.262 1.00 0.00 H new ATOM 0 HA LEU A 51 2.179 -2.815 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.359 -4.612 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.714 -3.522 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.373 -1.814 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.714 -2.444 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.852 -2.463 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.209 -3.992 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.654 -2.960 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.260 -4.529 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.262 -3.353 -2.448 1.00 0.00 H new ATOM 770 N LEU A 52 1.433 -0.563 -0.451 1.00 0.00 N ATOM 771 CA LEU A 52 1.154 0.791 0.016 1.00 0.00 C ATOM 772 C LEU A 52 0.392 1.569 -1.049 1.00 0.00 C ATOM 773 O LEU A 52 0.859 1.711 -2.167 1.00 0.00 O ATOM 774 CB LEU A 52 2.462 1.511 0.341 1.00 0.00 C ATOM 775 CG LEU A 52 2.488 2.323 1.612 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.904 2.723 1.934 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.615 3.534 1.489 1.00 0.00 C ATOM 0 H LEU A 52 2.007 -0.599 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 52 0.543 0.731 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.256 0.766 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.703 2.173 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 52 2.099 1.710 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.916 3.309 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.514 1.829 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.308 3.321 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.650 4.104 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.970 4.157 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.589 3.224 1.292 1.00 0.00 H new ATOM 789 N SER A 53 -0.781 2.065 -0.709 1.00 0.00 N ATOM 790 CA SER A 53 -1.591 2.816 -1.660 1.00 0.00 C ATOM 791 C SER A 53 -1.782 4.258 -1.235 1.00 0.00 C ATOM 792 O SER A 53 -2.037 4.549 -0.077 1.00 0.00 O ATOM 793 CB SER A 53 -2.936 2.147 -1.840 1.00 0.00 C ATOM 794 OG SER A 53 -3.074 1.532 -2.876 1.00 0.00 O ATOM 0 H SER A 53 -1.198 1.964 0.216 1.00 0.00 H new ATOM 0 HA SER A 53 -1.055 2.823 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.098 1.463 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.713 2.909 -1.783 1.00 0.00 H new ATOM 0 HG SER A 53 -3.691 0.784 -2.733 1.00 0.00 H new ATOM 800 N ASP A 54 -1.653 5.156 -2.189 1.00 0.00 N ATOM 801 CA ASP A 54 -1.808 6.571 -1.929 1.00 0.00 C ATOM 802 C ASP A 54 -3.253 6.982 -1.890 1.00 0.00 C ATOM 803 O ASP A 54 -3.655 7.241 -1.849 1.00 0.00 O ATOM 804 CB ASP A 54 -1.090 7.375 -2.982 1.00 0.00 C ATOM 805 CG ASP A 54 -1.066 8.102 -3.107 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.129 8.285 -3.191 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.987 8.489 -3.122 1.00 0.00 O ATOM 0 H ASP A 54 -1.439 4.928 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.373 6.767 -0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.044 7.088 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.438 6.953 -3.925 1.00 0.00 H new ATOM 812 N ILE A 55 -4.026 7.044 -1.905 1.00 0.00 N ATOM 813 CA ILE A 55 -5.426 7.427 -1.874 1.00 0.00 C ATOM 814 C ILE A 55 -5.623 8.852 -2.356 1.00 0.00 C ATOM 815 O ILE A 55 -5.488 9.708 -1.767 1.00 0.00 O ATOM 816 CB ILE A 55 -6.013 7.258 -0.468 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.457 7.692 -0.418 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.211 8.014 0.550 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.155 7.489 0.500 1.00 0.00 C ATOM 0 HA ILE A 55 -5.958 6.762 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.966 6.196 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.461 8.770 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.945 7.241 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.652 7.875 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.186 7.643 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.211 9.075 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.147 7.895 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.230 6.415 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.739 7.968 1.386 1.00 0.00 H new ATOM 831 N ARG A 56 -5.942 9.097 -3.438 1.00 0.00 N ATOM 832 CA ARG A 56 -6.155 10.413 -4.004 1.00 0.00 C ATOM 833 C ARG A 56 -6.910 10.496 -5.089 1.00 0.00 C ATOM 834 O ARG A 56 -6.625 11.072 -5.970 1.00 0.00 O ATOM 835 CB ARG A 56 -5.060 11.021 -4.318 1.00 0.00 C ATOM 836 CG ARG A 56 -4.471 11.474 -4.569 1.00 0.00 C ATOM 837 CD ARG A 56 -3.754 12.217 -4.681 1.00 0.00 C ATOM 838 NE ARG A 56 -3.212 12.821 -5.020 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.940 13.336 -5.120 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.156 13.327 -4.914 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.450 13.863 -5.429 1.00 0.00 N ATOM 0 H ARG A 56 -6.109 8.358 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.682 10.878 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.730 11.075 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.620 10.120 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.754 10.655 -4.627 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.886 11.606 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.206 12.894 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.969 11.669 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.721 12.240 -5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.641 12.451 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.408 14.173 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.795 13.584 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.467 14.829 -5.102 1.00 0.00 H new ATOM 855 N MET A 57 -7.874 9.928 -5.013 1.00 0.00 N ATOM 856 CA MET A 57 -8.681 9.948 -5.976 1.00 0.00 C ATOM 857 C MET A 57 -8.939 9.250 -7.131 1.00 0.00 C ATOM 858 O MET A 57 -9.465 9.810 -8.062 1.00 0.00 O ATOM 859 CB MET A 57 -8.588 10.770 -6.190 1.00 0.00 C ATOM 860 CG MET A 57 -9.135 11.119 -6.572 1.00 0.00 C ATOM 861 SD MET A 57 -9.181 12.119 -6.822 1.00 0.00 S ATOM 862 CE MET A 57 -9.861 12.734 -7.134 1.00 0.00 C ATOM 0 H MET A 57 -8.168 9.377 -4.206 1.00 0.00 H new ATOM 0 HA MET A 57 -9.464 9.339 -5.525 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.425 11.330 -5.269 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.675 10.852 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.215 10.582 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.049 10.919 -6.013 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.409 13.706 -7.332 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.308 12.348 -8.050 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.632 12.841 -6.371 1.00 0.00 H new ATOM 872 N PRO A 58 -8.595 8.011 -7.091 1.00 0.00 N ATOM 873 CA PRO A 58 -8.820 7.249 -8.145 1.00 0.00 C ATOM 874 C PRO A 58 -10.190 7.075 -8.411 1.00 0.00 C ATOM 875 O PRO A 58 -10.638 7.829 -8.856 1.00 0.00 O ATOM 876 CB PRO A 58 -8.138 5.998 -7.705 1.00 0.00 C ATOM 877 CG PRO A 58 -8.042 5.953 -6.316 1.00 0.00 C ATOM 878 CD PRO A 58 -7.982 7.252 -6.024 1.00 0.00 C ATOM 0 HA PRO A 58 -8.458 7.652 -9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.691 5.130 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.142 5.946 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.904 5.467 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.156 5.413 -5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.494 7.449 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.944 7.559 -5.893 1.00 0.00 H new ATOM 886 N GLY A 59 -10.855 6.082 -8.129 1.00 0.00 N ATOM 887 CA GLY A 59 -12.172 5.831 -8.334 1.00 0.00 C ATOM 888 C GLY A 59 -12.981 6.080 -7.157 1.00 0.00 C ATOM 889 O GLY A 59 -13.743 6.670 -7.201 1.00 0.00 O ATOM 0 H GLY A 59 -10.408 5.289 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.532 6.451 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.296 4.793 -8.641 1.00 0.00 H new ATOM 893 N MET A 60 -12.799 5.636 -6.098 1.00 0.00 N ATOM 894 CA MET A 60 -13.496 5.823 -4.890 1.00 0.00 C ATOM 895 C MET A 60 -12.602 6.434 -3.880 1.00 0.00 C ATOM 896 O MET A 60 -12.306 5.824 -2.870 1.00 0.00 O ATOM 897 CB MET A 60 -14.048 4.502 -4.395 1.00 0.00 C ATOM 898 CG MET A 60 -15.222 4.623 -3.540 1.00 0.00 C ATOM 899 SD MET A 60 -16.454 4.185 -4.031 1.00 0.00 S ATOM 900 CE MET A 60 -17.228 3.992 -3.535 1.00 0.00 C ATOM 0 H MET A 60 -12.018 4.996 -5.955 1.00 0.00 H new ATOM 0 HA MET A 60 -14.334 6.499 -5.062 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.302 3.883 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.266 3.978 -3.846 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.019 4.076 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.328 5.674 -3.270 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.962 3.507 -4.179 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.975 3.327 -2.709 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.647 4.917 -3.140 1.00 0.00 H new ATOM 910 N ASP A 61 -12.162 7.640 -4.177 1.00 0.00 N ATOM 911 CA ASP A 61 -11.292 8.370 -3.324 1.00 0.00 C ATOM 912 C ASP A 61 -9.965 7.682 -3.144 1.00 0.00 C ATOM 913 O ASP A 61 -9.060 8.203 -3.154 1.00 0.00 O ATOM 914 CB ASP A 61 -11.917 8.573 -1.999 1.00 0.00 C ATOM 915 CG ASP A 61 -12.317 9.807 -1.669 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.149 10.321 -1.505 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.796 10.260 -1.575 1.00 0.00 O ATOM 0 H ASP A 61 -12.412 8.134 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.114 9.333 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.783 7.914 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.207 8.240 -1.242 1.00 0.00 H new ATOM 922 N GLY A 62 -9.859 6.514 -2.972 1.00 0.00 N ATOM 923 CA GLY A 62 -8.651 5.765 -2.785 1.00 0.00 C ATOM 924 C GLY A 62 -8.935 4.391 -2.267 1.00 0.00 C ATOM 925 O GLY A 62 -8.216 3.454 -2.559 1.00 0.00 O ATOM 0 H GLY A 62 -10.682 5.912 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.114 5.695 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.999 6.291 -2.087 1.00 0.00 H new ATOM 929 N LEU A 63 -9.999 4.266 -1.501 1.00 0.00 N ATOM 930 CA LEU A 63 -10.388 2.992 -0.956 1.00 0.00 C ATOM 931 C LEU A 63 -10.831 2.060 -2.068 1.00 0.00 C ATOM 932 O LEU A 63 -10.852 0.848 -1.900 1.00 0.00 O ATOM 933 CB LEU A 63 -11.490 3.153 0.083 1.00 0.00 C ATOM 934 CG LEU A 63 -11.290 4.222 1.100 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.858 5.460 0.662 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.849 3.875 2.434 1.00 0.00 C ATOM 0 H LEU A 63 -10.611 5.040 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.523 2.555 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.426 3.349 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.609 2.203 0.604 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.210 4.324 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.698 6.223 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.382 5.770 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.928 5.331 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.670 4.696 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.922 3.702 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.366 2.972 2.807 1.00 0.00 H new ATOM 948 N ALA A 64 -11.168 2.630 -3.219 1.00 0.00 N ATOM 949 CA ALA A 64 -11.587 1.836 -4.361 1.00 0.00 C ATOM 950 C ALA A 64 -10.544 0.784 -4.688 1.00 0.00 C ATOM 951 O ALA A 64 -10.868 -0.336 -5.053 1.00 0.00 O ATOM 952 CB ALA A 64 -11.815 2.726 -5.562 1.00 0.00 C ATOM 0 H ALA A 64 -11.158 3.637 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.522 1.336 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.129 2.118 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.591 3.456 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.890 3.246 -5.810 1.00 0.00 H new ATOM 958 N LEU A 65 -9.288 1.154 -4.542 1.00 0.00 N ATOM 959 CA LEU A 65 -8.188 0.247 -4.808 1.00 0.00 C ATOM 960 C LEU A 65 -8.291 -0.990 -3.940 1.00 0.00 C ATOM 961 O LEU A 65 -8.111 -2.097 -4.409 1.00 0.00 O ATOM 962 CB LEU A 65 -6.859 0.944 -4.561 1.00 0.00 C ATOM 963 CG LEU A 65 -6.245 1.453 -4.821 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.812 1.523 -4.792 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.660 1.859 -5.046 1.00 0.00 C ATOM 0 H LEU A 65 -9.001 2.084 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.242 -0.057 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.104 1.443 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.257 0.071 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.328 1.353 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.544 2.398 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.540 1.694 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.277 0.652 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.988 2.873 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.913 1.891 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.224 1.407 -5.937 1.00 0.00 H new ATOM 977 N LEU A 66 -8.589 -0.794 -2.673 1.00 0.00 N ATOM 978 CA LEU A 66 -8.724 -1.893 -1.735 1.00 0.00 C ATOM 979 C LEU A 66 -9.752 -2.894 -2.229 1.00 0.00 C ATOM 980 O LEU A 66 -9.525 -4.098 -2.205 1.00 0.00 O ATOM 981 CB LEU A 66 -9.120 -1.368 -0.359 1.00 0.00 C ATOM 982 CG LEU A 66 -8.099 -0.512 0.333 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.211 0.013 0.890 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.367 -0.635 0.803 1.00 0.00 C ATOM 0 H LEU A 66 -8.744 0.127 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.761 -2.397 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.040 -0.792 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.347 -2.220 0.282 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.110 -0.469 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.255 0.455 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.879 0.793 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.657 -0.469 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.960 0.331 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.600 -1.221 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.632 -1.168 0.199 1.00 0.00 H new ATOM 996 N LYS A 67 -10.883 -2.386 -2.687 1.00 0.00 N ATOM 997 CA LYS A 67 -11.947 -3.233 -3.201 1.00 0.00 C ATOM 998 C LYS A 67 -11.419 -4.174 -4.280 1.00 0.00 C ATOM 999 O LYS A 67 -11.674 -5.374 -4.254 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.076 -2.379 -3.762 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.140 -2.315 -3.180 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.139 -1.931 -3.392 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.029 -1.792 -3.055 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.776 -1.860 -3.085 1.00 0.00 N ATOM 0 H LYS A 67 -11.089 -1.387 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.331 -3.834 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.696 -1.361 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.281 -2.736 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.334 -3.356 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.877 -1.800 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.890 -0.914 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.366 -2.487 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.880 -2.215 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.982 -0.708 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.202 -1.369 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.128 -1.438 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.034 -2.867 -3.056 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.679 -3.620 -5.229 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.115 -4.413 -6.310 1.00 0.00 C ATOM 1020 C GLN A 68 -9.071 -5.388 -5.783 1.00 0.00 C ATOM 1021 O GLN A 68 -8.923 -6.491 -6.294 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.475 -3.507 -7.357 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.388 -2.453 -7.913 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.297 -2.694 -8.554 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.731 -3.036 -8.675 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.589 -2.515 -8.971 1.00 0.00 N ATOM 0 H GLN A 68 -10.456 -2.626 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.928 -4.978 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.606 -3.020 -6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.111 -4.124 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.754 -1.880 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.763 -1.783 -8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.329 -1.648 -9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.401 -3.044 -9.289 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.342 -4.965 -4.764 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.303 -5.790 -4.170 1.00 0.00 C ATOM 1037 C ILE A 69 -7.867 -7.075 -3.594 1.00 0.00 C ATOM 1038 O ILE A 69 -7.285 -8.138 -3.735 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.549 -5.019 -3.073 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.820 -3.828 -3.670 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.579 -5.920 -2.344 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.277 -3.007 -2.834 1.00 0.00 C ATOM 0 H ILE A 69 -8.452 -4.049 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.607 -6.049 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.280 -4.656 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.042 -4.203 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.525 -3.271 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.060 -5.349 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.124 -6.742 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.852 -6.320 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.788 -2.201 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.045 -2.590 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.539 -3.536 -2.232 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.996 -6.964 -2.940 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.640 -8.111 -2.330 1.00 0.00 C ATOM 1056 C LYS A 70 -10.235 -9.038 -3.371 1.00 0.00 C ATOM 1057 O LYS A 70 -10.363 -10.238 -3.144 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.722 -7.653 -1.362 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.896 -6.973 -2.032 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.073 -7.173 -1.444 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.150 -6.848 -1.728 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.017 -6.919 -1.718 1.00 0.00 N ATOM 0 H LYS A 70 -9.496 -6.084 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.877 -8.667 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.085 -8.516 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.282 -6.967 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.703 -5.901 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.958 -7.321 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.141 -8.257 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.935 -6.777 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.085 -5.815 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.018 -6.836 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.424 -6.303 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.287 -7.906 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.378 -6.633 -0.786 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.607 -8.476 -4.504 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.200 -9.250 -5.573 1.00 0.00 C ATOM 1078 C GLN A 71 -10.180 -10.117 -6.268 1.00 0.00 C ATOM 1079 O GLN A 71 -10.466 -11.230 -6.656 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.884 -8.333 -6.570 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.956 -8.327 -6.851 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.101 -7.131 -7.542 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -12.415 -6.191 -7.060 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -13.821 -7.052 -8.499 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.508 -7.481 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.944 -9.911 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.672 -7.322 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.342 -8.470 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.213 -9.184 -7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.602 -8.365 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.339 -7.871 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.915 -6.166 -8.995 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.998 -9.596 -6.434 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.938 -10.318 -7.100 1.00 0.00 C ATOM 1095 C ARG A 72 -7.007 -10.998 -6.127 1.00 0.00 C ATOM 1096 O ARG A 72 -6.602 -12.079 -6.335 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.154 -9.391 -7.982 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.815 -9.082 -9.249 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.310 -8.569 -10.063 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.757 -8.563 -11.064 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.997 -8.798 -11.963 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.841 -9.057 -11.993 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.395 -8.774 -12.836 1.00 0.00 N ATOM 0 H ARG A 72 -8.737 -8.663 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.410 -11.094 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.969 -8.462 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.182 -9.838 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.173 -10.029 -9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.695 -8.487 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.177 -7.530 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.315 -9.004 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.299 -7.703 -10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.275 -9.404 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.883 -9.579 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.012 -8.004 -13.094 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.201 -9.519 -13.506 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.661 -10.355 -5.077 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.758 -10.892 -4.080 1.00 0.00 C ATOM 1119 C HIS A 73 -6.431 -11.237 -2.845 1.00 0.00 C ATOM 1120 O HIS A 73 -7.151 -10.683 -2.424 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.674 -9.968 -3.764 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.541 -9.029 -4.460 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.786 -8.033 -4.980 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.128 -9.061 -4.692 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.520 -7.489 -5.510 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.124 -8.127 -5.324 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.995 -9.415 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.350 -11.797 -4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.821 -9.613 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.740 -10.529 -3.774 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.692 -7.716 -4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.378 -9.836 -4.630 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.631 -6.567 -6.062 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.204 -12.165 -2.245 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.791 -12.584 -1.055 1.00 0.00 C ATOM 1137 C PRO A 74 -6.530 -11.995 0.163 1.00 0.00 C ATOM 1138 O PRO A 74 -7.053 -11.897 0.725 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.425 -13.735 -0.930 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.531 -13.885 -1.823 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.362 -12.880 -2.682 1.00 0.00 C ATOM 0 HA PRO A 74 -7.841 -12.332 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.024 -13.918 0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.251 -14.432 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.580 -14.068 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.769 -14.783 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.364 -12.443 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.540 -13.168 -3.718 1.00 0.00 H new ATOM 1149 N MET A 75 -5.724 -11.608 0.572 1.00 0.00 N ATOM 1150 CA MET A 75 -5.412 -11.033 1.729 1.00 0.00 C ATOM 1151 C MET A 75 -4.163 -10.185 1.708 1.00 0.00 C ATOM 1152 O MET A 75 -3.470 -10.076 2.692 1.00 0.00 O ATOM 1153 CB MET A 75 -5.307 -12.018 2.662 1.00 0.00 C ATOM 1154 CG MET A 75 -6.380 -12.732 2.968 1.00 0.00 C ATOM 1155 SD MET A 75 -6.367 -13.830 3.779 1.00 0.00 S ATOM 1156 CE MET A 75 -7.007 -14.625 3.888 1.00 0.00 C ATOM 0 HA MET A 75 -6.208 -10.326 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.537 -12.711 2.323 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.943 -11.562 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.091 -12.035 3.412 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.806 -13.061 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.288 -14.725 4.936 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.901 -14.457 3.287 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.513 -15.538 3.556 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.883 -9.588 0.581 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.719 -8.751 0.429 1.00 0.00 C ATOM 1168 C LEU A 76 -2.792 -7.522 1.322 1.00 0.00 C ATOM 1169 O LEU A 76 -3.684 -6.713 1.186 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.579 -8.314 -1.013 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.223 -7.978 -1.465 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.731 -7.785 -1.825 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.628 -7.704 -1.527 1.00 0.00 C ATOM 0 H LEU A 76 -4.455 -9.667 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.850 -9.339 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.964 -9.110 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.217 -7.444 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.073 -8.533 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.194 -7.874 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.668 -8.406 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.879 -6.745 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.095 -8.174 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.737 -6.638 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.064 -7.845 -0.605 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.851 -7.361 2.247 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.820 -6.218 3.152 1.00 0.00 C ATOM 1187 C PRO A 77 -1.625 -4.904 2.415 1.00 0.00 C ATOM 1188 O PRO A 77 -0.684 -4.741 1.669 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.632 -6.502 4.053 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.110 -7.704 3.638 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.748 -8.272 2.485 1.00 0.00 C ATOM 0 HA PRO A 77 -2.760 -6.106 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.112 -5.709 3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.940 -6.552 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.949 -7.568 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.177 -8.416 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.072 -8.320 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.096 -9.288 2.674 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.522 -3.972 2.633 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.461 -2.668 1.996 1.00 0.00 C ATOM 1201 C VAL A 78 -2.344 -1.554 3.026 1.00 0.00 C ATOM 1202 O VAL A 78 -2.912 -1.633 4.107 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.697 -2.398 1.134 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.450 -1.233 0.200 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.094 -3.642 0.358 1.00 0.00 C ATOM 0 H VAL A 78 -3.319 -4.092 3.258 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.574 -2.680 1.362 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.524 -2.135 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.340 -1.056 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.225 -0.340 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.608 -1.462 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.974 -3.427 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.272 -3.944 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.321 -4.449 1.055 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.610 -0.514 2.678 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.425 0.622 3.566 1.00 0.00 C ATOM 1217 C ILE A 79 -1.813 1.916 2.868 1.00 0.00 C ATOM 1218 O ILE A 79 -1.165 2.335 1.913 1.00 0.00 O ATOM 1219 CB ILE A 79 0.029 0.726 4.052 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.535 -0.634 4.529 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.142 1.754 5.160 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.783 -1.088 3.842 1.00 0.00 C ATOM 0 H ILE A 79 -1.129 -0.431 1.782 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.071 0.465 4.430 1.00 0.00 H new ATOM 0 HB ILE A 79 0.650 1.048 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.719 -0.587 5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.246 -1.378 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.178 1.817 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.179 2.727 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.492 1.459 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.081 -2.061 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.600 -1.169 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.580 -0.366 4.020 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.879 2.540 3.342 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.358 3.781 2.753 1.00 0.00 C ATOM 1236 C ILE A 80 -2.886 4.996 3.543 1.00 0.00 C ATOM 1237 O ILE A 80 -2.817 4.963 4.768 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.890 3.795 2.657 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.396 2.452 2.136 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.349 4.923 1.753 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.943 2.029 1.034 1.00 0.00 C ATOM 0 H ILE A 80 -3.430 2.208 4.134 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.939 3.836 1.748 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.304 3.960 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.183 1.699 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.480 2.517 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.437 4.922 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.009 5.876 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.931 4.783 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.397 1.066 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.180 2.743 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.862 1.913 1.106 1.00 0.00 H new ATOM 1253 N MET A 81 -2.545 6.060 2.828 1.00 0.00 N ATOM 1254 CA MET A 81 -2.059 7.284 3.454 1.00 0.00 C ATOM 1255 C MET A 81 -3.170 8.059 4.139 1.00 0.00 C ATOM 1256 O MET A 81 -2.984 8.566 5.171 1.00 0.00 O ATOM 1257 CB MET A 81 -1.372 8.164 2.420 1.00 0.00 C ATOM 1258 CG MET A 81 -1.963 8.835 1.666 1.00 0.00 C ATOM 1259 SD MET A 81 -1.514 10.235 0.890 1.00 0.00 S ATOM 1260 CE MET A 81 -1.682 11.118 0.825 1.00 0.00 C ATOM 0 H MET A 81 -2.596 6.101 1.810 1.00 0.00 H new ATOM 0 HA MET A 81 -1.342 6.993 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.706 8.828 2.971 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.742 7.506 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.245 8.156 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.878 9.099 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.078 11.545 0.024 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.738 11.272 0.605 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.433 11.606 1.767 1.00 0.00 H new ATOM 1270 N THR A 82 -4.318 8.158 3.560 1.00 0.00 N ATOM 1271 CA THR A 82 -5.440 8.886 4.126 1.00 0.00 C ATOM 1272 C THR A 82 -6.737 8.106 4.006 1.00 0.00 C ATOM 1273 O THR A 82 -6.873 7.269 3.153 1.00 0.00 O ATOM 1274 CB THR A 82 -5.584 10.228 3.446 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.336 10.856 3.316 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.490 11.162 4.167 1.00 0.00 C ATOM 0 H THR A 82 -4.524 7.730 2.657 1.00 0.00 H new ATOM 0 HA THR A 82 -5.236 9.033 5.187 1.00 0.00 H new ATOM 0 HB THR A 82 -6.019 10.011 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.450 11.722 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.547 12.105 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.485 10.722 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.102 11.344 5.169 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.687 8.384 4.872 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.968 7.700 4.862 1.00 0.00 C ATOM 1286 C ALA A 83 -10.087 8.636 4.621 1.00 0.00 C ATOM 1287 O ALA A 83 -10.982 8.415 4.871 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.195 6.966 6.129 1.00 0.00 C ATOM 0 H ALA A 83 -7.596 9.089 5.603 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.935 6.985 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.162 6.465 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.407 6.225 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.183 7.668 6.963 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.034 9.681 4.135 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.041 10.652 3.868 1.00 0.00 C ATOM 1296 C HIS A 84 -12.325 10.226 3.708 1.00 0.00 C ATOM 1297 O HIS A 84 -12.500 9.728 3.877 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.741 11.338 2.832 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.890 11.490 2.081 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.555 11.815 2.066 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.300 11.359 1.315 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.798 11.877 1.324 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.628 11.605 0.856 1.00 0.00 N ATOM 0 H HIS A 84 -9.129 10.030 3.818 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.040 11.225 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.575 11.106 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.895 12.355 3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.683 10.485 0.809 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.151 12.719 1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.995 11.495 0.064 1.00 0.00 H new ATOM 1312 N SER A 85 -13.226 10.435 3.389 1.00 0.00 N ATOM 1313 CA SER A 85 -14.494 10.088 3.223 1.00 0.00 C ATOM 1314 C SER A 85 -14.971 8.854 2.995 1.00 0.00 C ATOM 1315 O SER A 85 -15.205 8.674 2.932 1.00 0.00 O ATOM 1316 CB SER A 85 -14.882 10.682 2.421 1.00 0.00 C ATOM 1317 OG SER A 85 -15.233 10.974 2.375 1.00 0.00 O ATOM 0 HA SER A 85 -14.806 10.222 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.022 11.276 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.062 9.950 1.634 1.00 0.00 H new ATOM 0 HG SER A 85 -14.888 11.877 2.214 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.124 8.010 2.874 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.593 6.794 2.658 1.00 0.00 C ATOM 1325 C ASP A 86 -14.872 5.692 3.385 1.00 0.00 C ATOM 1326 O ASP A 86 -14.587 4.653 2.816 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.558 6.539 1.335 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.475 6.481 0.655 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.802 6.577 0.560 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.868 6.339 0.217 1.00 0.00 O ATOM 0 HA ASP A 86 -16.609 6.796 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.910 7.300 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.044 5.584 1.227 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.588 5.927 4.649 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.902 4.962 5.468 1.00 0.00 C ATOM 1337 C LEU A 87 -14.520 3.590 5.361 1.00 0.00 C ATOM 1338 O LEU A 87 -13.880 2.594 5.641 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.901 5.429 6.915 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.588 5.558 7.562 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.504 5.385 8.500 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.670 5.059 7.296 1.00 0.00 C ATOM 0 H LEU A 87 -14.828 6.792 5.133 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.877 4.883 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.401 6.397 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.502 4.732 7.499 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.651 6.568 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.467 5.528 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.144 6.071 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.805 4.358 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.876 5.372 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.807 3.980 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.397 5.319 6.273 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.769 3.543 4.965 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.475 2.292 4.835 1.00 0.00 C ATOM 1356 C ASP A 88 -15.667 1.255 4.068 1.00 0.00 C ATOM 1357 O ASP A 88 -15.523 0.129 4.510 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.799 2.513 4.147 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.668 2.707 4.747 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.984 2.851 5.049 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.031 2.715 4.916 1.00 0.00 O ATOM 0 H ASP A 88 -16.322 4.366 4.725 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.640 1.907 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.678 3.351 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.007 1.631 3.541 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.142 1.635 2.921 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.354 0.724 2.110 1.00 0.00 C ATOM 1368 C ALA A 89 -13.055 0.368 2.798 1.00 0.00 C ATOM 1369 O ALA A 89 -12.447 -0.650 2.491 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.089 1.311 0.742 1.00 0.00 C ATOM 0 H ALA A 89 -15.246 2.570 2.527 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.931 -0.192 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.497 0.610 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.036 1.499 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.542 2.248 0.848 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.636 1.208 3.733 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.412 0.973 4.466 1.00 0.00 C ATOM 1378 C ALA A 90 -11.565 -0.186 5.415 1.00 0.00 C ATOM 1379 O ALA A 90 -10.683 -1.015 5.548 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.996 2.209 5.232 1.00 0.00 C ATOM 0 H ALA A 90 -13.131 2.059 3.999 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.636 0.731 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.073 2.007 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.835 3.032 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.780 2.480 5.938 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.686 -0.242 6.078 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.934 -1.306 7.014 1.00 0.00 C ATOM 1388 C VAL A 91 -12.957 -2.657 6.333 1.00 0.00 C ATOM 1389 O VAL A 91 -12.347 -3.609 6.781 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.226 -1.106 7.773 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.258 -2.031 8.955 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.380 0.340 8.201 1.00 0.00 C ATOM 0 H VAL A 91 -13.443 0.436 5.989 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.107 -1.281 7.724 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.067 -1.342 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.189 -1.888 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.194 -3.063 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.414 -1.814 9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.317 0.461 8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.547 0.619 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.387 0.981 7.320 1.00 0.00 H new ATOM 1402 N SER A 92 -13.645 -2.734 5.236 1.00 0.00 N ATOM 1403 CA SER A 92 -13.715 -3.973 4.493 1.00 0.00 C ATOM 1404 C SER A 92 -12.347 -4.382 4.035 1.00 0.00 C ATOM 1405 O SER A 92 -12.083 -5.543 3.805 1.00 0.00 O ATOM 1406 CB SER A 92 -14.632 -3.824 3.315 1.00 0.00 C ATOM 1407 OG SER A 92 -15.243 -3.208 3.162 1.00 0.00 O ATOM 0 H SER A 92 -14.169 -1.959 4.828 1.00 0.00 H new ATOM 0 HA SER A 92 -14.112 -4.749 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.970 -3.781 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.170 -4.770 3.259 1.00 0.00 H new ATOM 0 HG SER A 92 -16.001 -3.341 3.769 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.478 -3.415 3.911 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.137 -3.667 3.494 1.00 0.00 C ATOM 1415 C ALA A 93 -9.411 -4.506 4.502 1.00 0.00 C ATOM 1416 O ALA A 93 -8.766 -5.481 4.177 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.422 -2.360 3.261 1.00 0.00 C ATOM 0 H ALA A 93 -11.685 -2.434 4.097 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.158 -4.226 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.398 -2.557 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.940 -1.795 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.410 -1.782 4.185 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.526 -4.118 5.728 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.881 -4.836 6.794 1.00 0.00 C ATOM 1425 C TYR A 94 -9.338 -6.278 6.825 1.00 0.00 C ATOM 1426 O TYR A 94 -8.635 -7.168 7.244 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.166 -4.176 8.115 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.121 -2.742 8.179 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.882 -2.055 8.200 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -9.317 -2.075 8.223 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.838 -0.743 8.262 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -9.274 -0.764 8.285 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.035 -0.103 8.304 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.994 1.204 8.367 1.00 0.00 O ATOM 0 H TYR A 94 -10.063 -3.303 6.025 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.806 -4.819 6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.157 -4.493 8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.453 -4.565 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.822 -2.250 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -10.387 -2.214 8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.769 -0.598 8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.333 -0.563 8.355 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.667 1.562 7.516 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.523 -6.493 6.375 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.092 -7.820 6.341 1.00 0.00 C ATOM 1446 C GLN A 95 -10.494 -8.641 5.260 1.00 0.00 C ATOM 1447 O GLN A 95 -10.262 -9.827 5.417 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.569 -7.725 6.181 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.125 -8.143 5.163 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.716 -8.113 4.189 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.126 -8.687 4.302 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.761 -7.441 3.221 1.00 0.00 N ATOM 0 H GLN A 95 -11.137 -5.762 6.016 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.866 -8.318 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.016 -8.248 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.834 -6.672 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.262 -8.676 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.753 -8.881 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.142 -6.635 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.418 -7.666 2.474 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.247 -8.004 4.163 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.682 -8.678 3.063 1.00 0.00 C ATOM 1463 C GLN A 96 -8.239 -8.737 3.168 1.00 0.00 C ATOM 1464 O GLN A 96 -7.657 -9.447 2.459 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.065 -8.006 1.833 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.674 -6.764 1.689 1.00 0.00 C ATOM 1467 CD GLN A 96 -9.589 -6.411 1.056 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -9.746 -6.865 0.894 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -9.339 -5.596 0.695 1.00 0.00 N ATOM 0 H GLN A 96 -10.432 -7.012 4.014 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.059 -9.701 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.675 -8.584 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.152 -8.030 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.378 -6.165 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.710 -6.699 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.058 -4.831 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.345 -5.463 -0.316 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.664 -7.995 4.055 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.296 -8.002 4.222 1.00 0.00 C ATOM 1480 C GLY A 97 -5.627 -6.664 4.278 1.00 0.00 C ATOM 1481 O GLY A 97 -4.754 -6.469 4.138 1.00 0.00 O ATOM 0 H GLY A 97 -8.163 -7.365 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.067 -8.538 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.855 -8.571 3.404 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.022 -5.744 4.485 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.431 -4.430 4.564 1.00 0.00 C ATOM 1487 C ALA A 98 -4.688 -4.251 5.868 1.00 0.00 C ATOM 1488 O ALA A 98 -5.086 -4.777 6.887 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.478 -3.357 4.393 1.00 0.00 C ATOM 0 HA ALA A 98 -4.713 -4.335 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.007 -2.376 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.957 -3.467 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.227 -3.451 5.179 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.602 -3.514 5.832 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.812 -3.284 7.017 1.00 0.00 C ATOM 1497 C PHE A 99 -3.455 -2.244 7.920 1.00 0.00 C ATOM 1498 O PHE A 99 -3.672 -2.495 9.096 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.409 -2.841 6.647 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.455 -2.918 7.771 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.271 -4.084 8.414 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.253 -1.824 8.189 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.600 -4.159 9.451 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.126 -1.894 9.226 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.301 -3.063 9.858 1.00 0.00 C ATOM 0 H PHE A 99 -3.245 -3.062 4.990 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.759 -4.227 7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.045 -3.460 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.445 -1.815 6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.818 -4.963 8.104 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.114 -0.881 7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.740 -5.100 9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.674 -1.017 9.539 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.993 -3.136 10.684 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.759 -1.074 7.368 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.379 0.002 8.139 1.00 0.00 C ATOM 1517 C ASP A 100 -4.472 1.290 7.332 1.00 0.00 C ATOM 1518 O ASP A 100 -4.276 1.290 6.127 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.594 0.256 9.426 1.00 0.00 C ATOM 1520 CG ASP A 100 -3.786 0.403 10.163 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -4.031 0.538 10.260 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -3.689 0.383 10.644 1.00 0.00 O ATOM 0 H ASP A 100 -3.587 -0.845 6.389 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.391 -0.317 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.955 -0.623 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.950 1.096 9.164 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.774 2.385 8.016 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.900 3.691 7.386 1.00 0.00 C ATOM 1529 C TYR A 101 -4.129 4.736 8.176 1.00 0.00 C ATOM 1530 O TYR A 101 -3.939 4.596 9.383 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.369 4.093 7.291 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.999 3.789 5.955 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.408 2.507 5.636 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.192 4.787 5.016 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.991 2.232 4.416 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.775 4.520 3.795 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.173 3.242 3.501 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.755 2.971 2.286 1.00 0.00 O ATOM 0 H TYR A 101 -4.938 2.393 9.023 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.483 3.630 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.928 3.577 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.457 5.161 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.269 1.710 6.352 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.880 5.795 5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.304 1.225 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.917 5.313 3.075 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.382 2.224 2.383 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.685 5.781 7.492 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.935 6.843 8.137 1.00 0.00 C ATOM 1550 C LEU A 102 -3.810 8.069 8.358 1.00 0.00 C ATOM 1551 O LEU A 102 -4.401 8.602 7.430 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.725 7.213 7.286 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.419 7.031 7.823 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.217 5.777 8.342 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.562 7.296 6.833 1.00 0.00 C ATOM 0 H LEU A 102 -3.832 5.914 6.491 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.597 6.484 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.784 6.636 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.824 8.263 7.013 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.326 7.739 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.797 5.705 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.931 5.597 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.357 5.032 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.556 7.153 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.425 6.615 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.460 8.324 6.486 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.912 8.534 9.596 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.724 9.699 9.921 1.00 0.00 C ATOM 1569 C PRO A 103 -4.171 10.986 9.353 1.00 0.00 C ATOM 1570 O PRO A 103 -4.498 11.430 8.400 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.705 9.731 11.428 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.716 8.790 11.854 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.249 7.962 10.769 1.00 0.00 C ATOM 0 HA PRO A 103 -5.723 9.621 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.466 10.731 11.789 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.684 9.471 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.872 9.325 12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.132 8.158 12.638 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.164 7.998 10.674 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.522 6.917 10.915 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.337 11.583 9.944 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.748 12.824 9.496 1.00 0.00 C ATOM 1583 C LYS A 104 -1.317 12.629 8.992 1.00 0.00 C ATOM 1584 O LYS A 104 -1.012 12.947 7.851 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.786 13.854 10.611 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.639 14.812 10.538 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.970 15.390 11.396 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.512 16.241 11.598 1.00 0.00 C ATOM 1589 NZ LYS A 104 -4.774 16.611 11.742 1.00 0.00 N ATOM 0 H LYS A 104 -2.961 11.261 10.836 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.339 13.186 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.965 13.323 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.794 14.300 10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.234 15.529 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.537 14.388 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.498 14.640 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.030 15.593 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.665 16.884 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.098 16.131 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.214 17.484 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.622 16.689 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.060 16.470 12.732 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.412 12.108 9.823 1.00 0.00 N ATOM 1604 CA PRO A 105 0.981 11.889 9.427 1.00 0.00 C ATOM 1605 C PRO A 105 1.110 11.000 8.216 1.00 0.00 C ATOM 1606 O PRO A 105 0.193 10.264 7.892 1.00 0.00 O ATOM 1607 CB PRO A 105 1.600 11.226 10.632 1.00 0.00 C ATOM 1608 CG PRO A 105 0.556 11.042 11.569 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.659 11.693 11.203 1.00 0.00 C ATOM 0 HA PRO A 105 1.465 12.824 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.051 10.271 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.393 11.845 11.051 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.366 9.975 11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.880 11.415 12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.514 11.020 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.869 12.546 11.849 1.00 0.00 H new ATOM 1617 N PHE A 106 2.256 11.072 7.557 1.00 0.00 N ATOM 1618 CA PHE A 106 2.516 10.272 6.386 1.00 0.00 C ATOM 1619 C PHE A 106 3.998 10.300 6.018 1.00 0.00 C ATOM 1620 O PHE A 106 4.806 9.669 6.687 1.00 0.00 O ATOM 1621 CB PHE A 106 1.653 10.732 5.236 1.00 0.00 C ATOM 1622 CG PHE A 106 1.663 10.165 4.103 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.732 9.698 3.576 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.607 10.099 3.567 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.743 9.176 2.538 1.00 0.00 C ATOM 1626 CE2 PHE A 106 1.618 9.576 2.529 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.686 9.114 2.014 1.00 0.00 C ATOM 0 H PHE A 106 3.025 11.687 7.823 1.00 0.00 H new ATOM 0 HA PHE A 106 2.259 9.237 6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.622 10.702 5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.900 11.779 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.081 8.862 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.269 11.085 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.089 8.192 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.274 10.411 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.681 8.669 1.030 1.00 0.00 H new ATOM 1637 N ASP A 107 4.359 11.028 4.963 1.00 0.00 N ATOM 1638 CA ASP A 107 5.751 11.116 4.528 1.00 0.00 C ATOM 1639 C ASP A 107 6.437 9.751 4.576 1.00 0.00 C ATOM 1640 O ASP A 107 5.822 8.750 4.927 1.00 0.00 O ATOM 1641 CB ASP A 107 6.509 12.126 5.386 1.00 0.00 C ATOM 1642 CG ASP A 107 6.617 11.710 6.820 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.041 10.872 7.220 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.281 12.224 7.544 1.00 0.00 O ATOM 0 H ASP A 107 3.706 11.566 4.393 1.00 0.00 H new ATOM 0 HA ASP A 107 5.760 11.455 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.510 12.263 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.006 13.092 5.330 1.00 0.00 H new ATOM 1649 N ILE A 108 7.708 9.708 4.214 1.00 0.00 N ATOM 1650 CA ILE A 108 8.444 8.453 4.224 1.00 0.00 C ATOM 1651 C ILE A 108 8.647 7.935 5.638 1.00 0.00 C ATOM 1652 O ILE A 108 8.505 6.746 5.903 1.00 0.00 O ATOM 1653 CB ILE A 108 9.795 8.588 3.490 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.791 7.761 2.254 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.942 8.196 4.345 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.703 8.090 1.321 1.00 0.00 C ATOM 0 H ILE A 108 8.249 10.519 3.912 1.00 0.00 H new ATOM 0 HA ILE A 108 7.840 7.722 3.686 1.00 0.00 H new ATOM 0 HB ILE A 108 9.916 9.641 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.745 7.885 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.713 6.710 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.869 8.308 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.973 8.835 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.828 7.157 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.767 7.445 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.743 7.938 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.791 9.131 1.012 1.00 0.00 H new ATOM 1668 N ASP A 109 8.990 8.832 6.535 1.00 0.00 N ATOM 1669 CA ASP A 109 9.229 8.470 7.927 1.00 0.00 C ATOM 1670 C ASP A 109 8.088 7.630 8.493 1.00 0.00 C ATOM 1671 O ASP A 109 8.309 6.519 8.957 1.00 0.00 O ATOM 1672 CB ASP A 109 9.426 9.720 8.778 1.00 0.00 C ATOM 1673 CG ASP A 109 10.405 9.904 9.323 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.926 9.932 9.498 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.649 10.019 9.576 1.00 0.00 O ATOM 0 H ASP A 109 9.112 9.824 6.331 1.00 0.00 H new ATOM 0 HA ASP A 109 10.138 7.869 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.254 10.579 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.636 9.724 9.529 1.00 0.00 H new ATOM 1680 N GLU A 110 6.872 8.163 8.460 1.00 0.00 N ATOM 1681 CA GLU A 110 5.719 7.450 8.982 1.00 0.00 C ATOM 1682 C GLU A 110 5.250 6.368 8.022 1.00 0.00 C ATOM 1683 O GLU A 110 4.751 5.332 8.446 1.00 0.00 O ATOM 1684 CB GLU A 110 4.575 8.417 9.287 1.00 0.00 C ATOM 1685 CG GLU A 110 4.841 9.373 10.284 1.00 0.00 C ATOM 1686 CD GLU A 110 4.502 8.908 11.610 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.531 8.590 12.095 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.209 8.862 12.164 1.00 0.00 O ATOM 0 H GLU A 110 6.662 9.085 8.077 1.00 0.00 H new ATOM 0 HA GLU A 110 6.027 6.967 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.309 8.940 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.702 7.837 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.898 9.637 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.280 10.282 10.068 1.00 0.00 H new ATOM 1695 N ALA A 111 5.419 6.603 6.733 1.00 0.00 N ATOM 1696 CA ALA A 111 5.014 5.631 5.731 1.00 0.00 C ATOM 1697 C ALA A 111 5.890 4.393 5.818 1.00 0.00 C ATOM 1698 O ALA A 111 5.402 3.292 6.058 1.00 0.00 O ATOM 1699 CB ALA A 111 5.067 6.232 4.339 1.00 0.00 C ATOM 0 H ALA A 111 5.833 7.456 6.355 1.00 0.00 H new ATOM 0 HA ALA A 111 3.982 5.341 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.759 5.484 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.395 7.089 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.085 6.555 4.121 1.00 0.00 H new ATOM 1705 N VAL A 112 7.191 4.582 5.638 1.00 0.00 N ATOM 1706 CA VAL A 112 8.133 3.478 5.719 1.00 0.00 C ATOM 1707 C VAL A 112 8.066 2.821 7.089 1.00 0.00 C ATOM 1708 O VAL A 112 8.277 1.621 7.234 1.00 0.00 O ATOM 1709 CB VAL A 112 9.573 3.935 5.455 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.516 2.744 5.480 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.663 4.670 4.129 1.00 0.00 C ATOM 0 H VAL A 112 7.615 5.487 5.436 1.00 0.00 H new ATOM 0 HA VAL A 112 7.850 2.761 4.948 1.00 0.00 H new ATOM 0 HB VAL A 112 9.872 4.625 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.535 3.083 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.469 2.263 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.222 2.031 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.692 4.987 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.349 4.007 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.013 5.545 4.153 1.00 0.00 H new ATOM 1721 N ALA A 113 7.760 3.622 8.087 1.00 0.00 N ATOM 1722 CA ALA A 113 7.645 3.130 9.446 1.00 0.00 C ATOM 1723 C ALA A 113 6.509 2.130 9.543 1.00 0.00 C ATOM 1724 O ALA A 113 6.644 1.061 10.135 1.00 0.00 O ATOM 1725 CB ALA A 113 7.392 4.283 10.392 1.00 0.00 C ATOM 0 H ALA A 113 7.585 4.622 7.983 1.00 0.00 H new ATOM 0 HA ALA A 113 8.577 2.638 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.307 3.906 11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.220 4.989 10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.466 4.786 10.113 1.00 0.00 H new ATOM 1731 N LEU A 114 5.383 2.505 8.959 1.00 0.00 N ATOM 1732 CA LEU A 114 4.193 1.676 8.965 1.00 0.00 C ATOM 1733 C LEU A 114 4.310 0.511 7.990 1.00 0.00 C ATOM 1734 O LEU A 114 3.620 -0.495 8.136 1.00 0.00 O ATOM 1735 CB LEU A 114 2.973 2.530 8.624 1.00 0.00 C ATOM 1736 CG LEU A 114 1.632 1.815 8.669 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.223 1.520 10.080 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.590 2.648 7.989 1.00 0.00 C ATOM 0 H LEU A 114 5.270 3.392 8.468 1.00 0.00 H new ATOM 0 HA LEU A 114 4.079 1.255 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.938 3.372 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.110 2.943 7.625 1.00 0.00 H new ATOM 0 HG LEU A 114 1.731 0.865 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.260 1.009 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.972 0.883 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.138 2.453 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.369 2.131 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.503 3.608 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.876 2.812 6.950 1.00 0.00 H new ATOM 1750 N VAL A 115 5.178 0.644 6.993 1.00 0.00 N ATOM 1751 CA VAL A 115 5.351 -0.420 6.011 1.00 0.00 C ATOM 1752 C VAL A 115 6.231 -1.543 6.548 1.00 0.00 C ATOM 1753 O VAL A 115 5.927 -2.719 6.372 1.00 0.00 O ATOM 1754 CB VAL A 115 5.917 0.095 4.668 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.410 0.343 4.748 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.606 -0.886 3.554 1.00 0.00 C ATOM 0 H VAL A 115 5.765 1.465 6.844 1.00 0.00 H new ATOM 0 HA VAL A 115 4.353 -0.815 5.821 1.00 0.00 H new ATOM 0 HB VAL A 115 5.434 1.048 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.771 0.704 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.614 1.090 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.920 -0.586 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.011 -0.510 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.057 -1.851 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.526 -1.003 3.463 1.00 0.00 H new ATOM 1766 N GLU A 116 7.323 -1.172 7.201 1.00 0.00 N ATOM 1767 CA GLU A 116 8.245 -2.150 7.760 1.00 0.00 C ATOM 1768 C GLU A 116 7.581 -2.952 8.867 1.00 0.00 C ATOM 1769 O GLU A 116 7.709 -4.172 8.925 1.00 0.00 O ATOM 1770 CB GLU A 116 9.494 -1.456 8.289 1.00 0.00 C ATOM 1771 CG GLU A 116 10.356 -0.860 7.198 1.00 0.00 C ATOM 1772 CD GLU A 116 11.623 -0.353 7.656 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.055 0.043 7.944 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.183 -0.349 7.728 1.00 0.00 O ATOM 0 H GLU A 116 7.592 -0.201 7.357 1.00 0.00 H new ATOM 0 HA GLU A 116 8.533 -2.839 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.197 -0.667 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.085 -2.173 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.535 -1.619 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.806 -0.051 6.718 1.00 0.00 H new ATOM 1781 N ARG A 117 6.868 -2.262 9.743 1.00 0.00 N ATOM 1782 CA ARG A 117 6.183 -2.919 10.842 1.00 0.00 C ATOM 1783 C ARG A 117 5.154 -3.911 10.323 1.00 0.00 C ATOM 1784 O ARG A 117 4.800 -4.868 11.005 1.00 0.00 O ATOM 1785 CB ARG A 117 5.514 -1.888 11.745 1.00 0.00 C ATOM 1786 CG ARG A 117 5.526 -1.043 11.857 1.00 0.00 C ATOM 1787 CD ARG A 117 5.065 -0.537 12.850 1.00 0.00 C ATOM 1788 NE ARG A 117 5.042 -0.163 13.622 1.00 0.00 N ATOM 1789 CZ ARG A 117 4.820 0.253 14.350 1.00 0.00 C ATOM 1790 NH1 ARG A 117 4.600 0.353 14.416 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.819 0.571 15.016 1.00 0.00 N ATOM 0 H ARG A 117 6.749 -1.249 9.714 1.00 0.00 H new ATOM 0 HA ARG A 117 6.924 -3.467 11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.455 -2.086 11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.756 -2.259 12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.568 -0.729 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.008 -0.602 11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.477 0.222 12.334 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.386 -1.354 13.094 1.00 0.00 H new ATOM 0 HE ARG A 117 6.012 -0.348 13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.804 0.298 13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.500 0.815 15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.669 0.577 15.580 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.968 1.005 15.373 1.00 0.00 H new ATOM 1805 N ALA A 118 4.683 -3.676 9.108 1.00 0.00 N ATOM 1806 CA ALA A 118 3.701 -4.546 8.490 1.00 0.00 C ATOM 1807 C ALA A 118 4.322 -5.878 8.103 1.00 0.00 C ATOM 1808 O ALA A 118 3.756 -6.935 8.361 1.00 0.00 O ATOM 1809 CB ALA A 118 3.091 -3.872 7.275 1.00 0.00 C ATOM 0 H ALA A 118 4.968 -2.885 8.530 1.00 0.00 H new ATOM 0 HA ALA A 118 2.912 -4.740 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.356 -4.536 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.604 -2.945 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.875 -3.649 6.551 1.00 0.00 H new ATOM 1815 N ILE A 119 5.489 -5.822 7.488 1.00 0.00 N ATOM 1816 CA ILE A 119 6.190 -7.022 7.071 1.00 0.00 C ATOM 1817 C ILE A 119 6.708 -7.792 8.267 1.00 0.00 C ATOM 1818 O ILE A 119 6.801 -9.015 8.245 1.00 0.00 O ATOM 1819 CB ILE A 119 7.366 -6.685 6.152 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.926 -5.737 5.048 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.966 -7.945 5.565 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.964 -4.709 4.707 1.00 0.00 C ATOM 0 H ILE A 119 5.974 -4.953 7.265 1.00 0.00 H new ATOM 0 HA ILE A 119 5.473 -7.637 6.527 1.00 0.00 H new ATOM 0 HB ILE A 119 8.133 -6.188 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.688 -6.315 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.010 -5.232 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.800 -7.682 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.322 -8.588 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.208 -8.474 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.589 -4.063 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.185 -4.108 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.873 -5.208 4.371 1.00 0.00 H new ATOM 1834 N SER A 120 7.043 -7.058 9.307 1.00 0.00 N ATOM 1835 CA SER A 120 7.557 -7.649 10.525 1.00 0.00 C ATOM 1836 C SER A 120 6.476 -8.406 11.260 1.00 0.00 C ATOM 1837 O SER A 120 6.677 -9.531 11.684 1.00 0.00 O ATOM 1838 CB SER A 120 8.134 -6.571 11.424 1.00 0.00 C ATOM 1839 OG SER A 120 8.835 -6.840 12.180 1.00 0.00 O ATOM 0 H SER A 120 6.968 -6.041 9.333 1.00 0.00 H new ATOM 0 HA SER A 120 8.344 -8.353 10.254 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.613 -5.832 10.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.298 -6.073 11.915 1.00 0.00 H new ATOM 0 HG SER A 120 9.112 -6.038 12.670 1.00 0.00 H new ATOM 1845 N HIS A 121 5.330 -7.781 11.409 1.00 0.00 N ATOM 1846 CA HIS A 121 4.219 -8.397 12.097 1.00 0.00 C ATOM 1847 C HIS A 121 3.740 -9.618 11.364 1.00 0.00 C ATOM 1848 O HIS A 121 3.172 -10.519 11.957 1.00 0.00 O ATOM 1849 CB HIS A 121 3.086 -7.408 12.254 1.00 0.00 C ATOM 1850 CG HIS A 121 3.227 -6.533 13.432 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.103 -5.678 13.663 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.599 -6.382 14.448 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.009 -5.041 14.771 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.102 -5.449 15.266 1.00 0.00 N ATOM 0 H HIS A 121 5.143 -6.841 11.061 1.00 0.00 H new ATOM 0 HA HIS A 121 4.562 -8.705 13.085 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.027 -6.790 11.358 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.145 -7.954 12.328 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.858 -5.494 13.003 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.709 -6.949 14.679 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.670 -4.272 15.144 1.00 0.00 H new