USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 436 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 Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -167:sc= -0.856 (180deg=-1.04) USER MOD Single : A 122 GLN : amide:sc= -0.0225 X(o=-0.022,f=-0.022) USER MOD Single : A 123 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-7.3!) USER MOD Single : A 125 GLN : amide:sc= -0.919! C(o=-0.92!,f=-1.4!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.325 F(o=-0.87,f=-0.32) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -153:sc= -0.976 (180deg=-2.75!) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.190 10.206 -2.338 1.00 0.00 N ATOM 67 CA ARG A 109 -0.184 9.789 -2.594 1.00 0.00 C ATOM 68 C ARG A 109 -0.670 8.828 -1.514 1.00 0.00 C ATOM 69 O ARG A 109 0.127 8.151 -0.865 1.00 0.00 O ATOM 70 CB ARG A 109 -0.290 9.126 -3.968 1.00 0.00 C ATOM 71 CG ARG A 109 0.186 10.008 -5.110 1.00 0.00 C ATOM 72 CD ARG A 109 0.366 9.212 -6.393 1.00 0.00 C ATOM 73 NE ARG A 109 0.221 10.048 -7.581 1.00 0.00 N ATOM 74 CZ ARG A 109 -0.951 10.364 -8.119 1.00 0.00 C ATOM 75 NH1 ARG A 109 -2.075 9.915 -7.578 1.00 0.00 N ATOM 76 NH2 ARG A 109 -1.001 11.130 -9.201 1.00 0.00 N ATOM 0 HA ARG A 109 -0.816 10.677 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.294 8.206 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.328 8.844 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.534 10.809 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.130 10.479 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.352 8.747 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.367 8.406 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 109 1.067 10.409 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.041 9.325 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.974 10.159 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.138 11.477 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.902 11.372 -9.613 1.00 0.00 H new ATOM 90 N ARG A 110 -1.985 8.775 -1.325 1.00 0.00 N ATOM 91 CA ARG A 110 -2.578 7.899 -0.322 1.00 0.00 C ATOM 92 C ARG A 110 -2.254 6.437 -0.617 1.00 0.00 C ATOM 93 O ARG A 110 -2.193 6.026 -1.777 1.00 0.00 O ATOM 94 CB ARG A 110 -4.095 8.096 -0.274 1.00 0.00 C ATOM 95 CG ARG A 110 -4.532 9.525 -0.551 1.00 0.00 C ATOM 96 CD ARG A 110 -5.846 9.851 0.142 1.00 0.00 C ATOM 97 NE ARG A 110 -7.000 9.539 -0.697 1.00 0.00 N ATOM 98 CZ ARG A 110 -7.438 10.334 -1.667 1.00 0.00 C ATOM 99 NH1 ARG A 110 -6.823 11.481 -1.918 1.00 0.00 N ATOM 100 NH2 ARG A 110 -8.495 9.981 -2.387 1.00 0.00 N ATOM 0 H ARG A 110 -2.659 9.328 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.154 8.159 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.562 7.434 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.461 7.797 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.760 10.215 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.640 9.672 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.913 9.290 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.864 10.909 0.405 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.496 8.664 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.011 11.756 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.162 12.089 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.971 9.099 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.832 10.591 -3.132 1.00 0.00 H new ATOM 114 N LEU A 111 -2.045 5.658 0.438 1.00 0.00 N ATOM 115 CA LEU A 111 -1.726 4.242 0.293 1.00 0.00 C ATOM 116 C LEU A 111 -2.811 3.518 -0.498 1.00 0.00 C ATOM 117 O LEU A 111 -2.533 2.681 -1.357 1.00 0.00 O ATOM 118 CB LEU A 111 -1.563 3.592 1.668 1.00 0.00 C ATOM 119 CG LEU A 111 -0.766 2.287 1.703 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.676 2.531 1.285 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.825 1.664 3.091 1.00 0.00 C ATOM 0 H LEU A 111 -2.091 5.983 1.404 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.787 4.161 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.078 4.308 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.555 3.400 2.077 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.214 1.590 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.228 1.591 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.698 2.932 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.137 3.245 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.253 0.736 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.402 2.357 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.862 1.452 3.351 1.00 0.00 H new ATOM 133 N PRO A 112 -4.078 3.848 -0.206 1.00 0.00 N ATOM 134 CA PRO A 112 -5.230 3.243 -0.881 1.00 0.00 C ATOM 135 C PRO A 112 -5.144 3.367 -2.398 1.00 0.00 C ATOM 136 O PRO A 112 -5.444 2.421 -3.126 1.00 0.00 O ATOM 137 CB PRO A 112 -6.418 4.048 -0.345 1.00 0.00 C ATOM 138 CG PRO A 112 -5.959 4.566 0.975 1.00 0.00 C ATOM 139 CD PRO A 112 -4.483 4.838 0.806 1.00 0.00 C ATOM 0 HA PRO A 112 -5.300 2.173 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.682 4.862 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.304 3.423 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.497 5.473 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.137 3.838 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.296 5.858 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.938 4.706 1.741 1.00 0.00 H new ATOM 147 N THR A 113 -4.731 4.540 -2.868 1.00 0.00 N ATOM 148 CA THR A 113 -4.606 4.788 -4.300 1.00 0.00 C ATOM 149 C THR A 113 -3.457 3.985 -4.898 1.00 0.00 C ATOM 150 O THR A 113 -3.593 3.388 -5.966 1.00 0.00 O ATOM 151 CB THR A 113 -4.382 6.283 -4.593 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.389 7.066 -3.944 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.410 6.551 -6.091 1.00 0.00 C ATOM 0 H THR A 113 -4.477 5.333 -2.279 1.00 0.00 H new ATOM 0 HA THR A 113 -5.543 4.473 -4.759 1.00 0.00 H new ATOM 0 HB THR A 113 -3.401 6.563 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.238 8.015 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.250 7.614 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.622 5.976 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.378 6.255 -6.495 1.00 0.00 H new ATOM 161 N VAL A 114 -2.324 3.975 -4.203 1.00 0.00 N ATOM 162 CA VAL A 114 -1.150 3.243 -4.665 1.00 0.00 C ATOM 163 C VAL A 114 -1.429 1.747 -4.741 1.00 0.00 C ATOM 164 O VAL A 114 -0.923 1.054 -5.624 1.00 0.00 O ATOM 165 CB VAL A 114 0.060 3.483 -3.743 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.247 2.644 -4.190 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.423 4.960 -3.713 1.00 0.00 C ATOM 0 H VAL A 114 -2.194 4.465 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.917 3.616 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.210 3.178 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.092 2.827 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.980 1.588 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.521 2.915 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.280 5.111 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.674 5.293 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.425 5.536 -3.341 1.00 0.00 H new ATOM 177 N LEU A 115 -2.239 1.255 -3.811 1.00 0.00 N ATOM 178 CA LEU A 115 -2.588 -0.162 -3.772 1.00 0.00 C ATOM 179 C LEU A 115 -3.486 -0.534 -4.947 1.00 0.00 C ATOM 180 O LEU A 115 -3.291 -1.569 -5.586 1.00 0.00 O ATOM 181 CB LEU A 115 -3.288 -0.498 -2.454 1.00 0.00 C ATOM 182 CG LEU A 115 -2.377 -0.891 -1.290 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.101 -0.721 0.036 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.889 -2.322 -1.454 1.00 0.00 C ATOM 0 H LEU A 115 -2.667 1.815 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.667 -0.740 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.880 0.365 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.986 -1.316 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.510 -0.230 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.437 -1.005 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.399 0.320 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.987 -1.356 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.242 -2.584 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.744 -2.998 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.330 -2.411 -2.386 1.00 0.00 H new ATOM 196 N LEU A 116 -4.466 0.316 -5.228 1.00 0.00 N ATOM 197 CA LEU A 116 -5.393 0.077 -6.330 1.00 0.00 C ATOM 198 C LEU A 116 -4.669 0.126 -7.671 1.00 0.00 C ATOM 199 O LEU A 116 -4.983 -0.635 -8.587 1.00 0.00 O ATOM 200 CB LEU A 116 -6.520 1.113 -6.307 1.00 0.00 C ATOM 201 CG LEU A 116 -7.486 1.028 -5.125 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.430 2.220 -5.120 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.271 -0.275 -5.171 1.00 0.00 C ATOM 0 H LEU A 116 -4.640 1.177 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.819 -0.918 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.073 2.107 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.095 1.015 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.904 1.047 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.110 2.142 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.853 3.141 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.005 2.233 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.954 -0.319 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.842 -0.323 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.581 -1.117 -5.125 1.00 0.00 H new ATOM 215 N LYS A 117 -3.696 1.024 -7.780 1.00 0.00 N ATOM 216 CA LYS A 117 -2.923 1.170 -9.008 1.00 0.00 C ATOM 217 C LYS A 117 -1.889 0.056 -9.137 1.00 0.00 C ATOM 218 O LYS A 117 -1.599 -0.411 -10.239 1.00 0.00 O ATOM 219 CB LYS A 117 -2.226 2.533 -9.037 1.00 0.00 C ATOM 220 CG LYS A 117 -1.213 2.674 -10.159 1.00 0.00 C ATOM 221 CD LYS A 117 0.143 2.115 -9.760 1.00 0.00 C ATOM 222 CE LYS A 117 1.271 2.787 -10.528 1.00 0.00 C ATOM 223 NZ LYS A 117 2.520 1.977 -10.501 1.00 0.00 N ATOM 0 H LYS A 117 -3.424 1.662 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.611 1.102 -9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.979 3.315 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.724 2.695 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.576 2.153 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.110 3.725 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.295 2.256 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.164 1.041 -9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.963 2.945 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.466 3.770 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.264 2.469 -11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.829 1.847 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.341 1.048 -10.933 1.00 0.00 H new ATOM 237 N LEU A 118 -1.339 -0.367 -8.004 1.00 0.00 N ATOM 238 CA LEU A 118 -0.339 -1.429 -7.991 1.00 0.00 C ATOM 239 C LEU A 118 -1.001 -2.802 -8.057 1.00 0.00 C ATOM 240 O LEU A 118 -0.356 -3.825 -7.821 1.00 0.00 O ATOM 241 CB LEU A 118 0.525 -1.327 -6.732 1.00 0.00 C ATOM 242 CG LEU A 118 1.644 -0.286 -6.768 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.443 -0.315 -5.475 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.554 -0.523 -7.965 1.00 0.00 C ATOM 0 H LEU A 118 -1.568 0.009 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 118 0.294 -1.309 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.125 -1.103 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.970 -2.303 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 118 1.193 0.701 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.235 0.433 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.784 -0.096 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.884 -1.303 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.345 0.227 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.997 -1.516 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.973 -0.450 -8.884 1.00 0.00 H new ATOM 256 N ARG A 119 -2.290 -2.817 -8.381 1.00 0.00 N ATOM 257 CA ARG A 119 -3.038 -4.063 -8.480 1.00 0.00 C ATOM 258 C ARG A 119 -2.916 -4.874 -7.194 1.00 0.00 C ATOM 259 O ARG A 119 -2.996 -6.103 -7.212 1.00 0.00 O ATOM 260 CB ARG A 119 -2.539 -4.891 -9.666 1.00 0.00 C ATOM 261 CG ARG A 119 -2.992 -4.357 -11.015 1.00 0.00 C ATOM 262 CD ARG A 119 -2.140 -4.909 -12.147 1.00 0.00 C ATOM 263 NE ARG A 119 -2.558 -4.393 -13.448 1.00 0.00 N ATOM 264 CZ ARG A 119 -2.167 -3.219 -13.933 1.00 0.00 C ATOM 265 NH1 ARG A 119 -1.352 -2.445 -13.228 1.00 0.00 N ATOM 266 NH2 ARG A 119 -2.589 -2.818 -15.125 1.00 0.00 N ATOM 0 H ARG A 119 -2.837 -1.980 -8.579 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.088 -3.815 -8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.450 -4.922 -9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.889 -5.917 -9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.036 -4.623 -11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.937 -3.268 -11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -1.095 -4.651 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.203 -5.997 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.184 -4.965 -14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.024 -2.751 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.053 -1.544 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.214 -3.411 -15.671 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.288 -1.917 -15.496 1.00 0.00 H new ATOM 280 N MET A 120 -2.721 -4.179 -6.078 1.00 0.00 N ATOM 281 CA MET A 120 -2.589 -4.835 -4.781 1.00 0.00 C ATOM 282 C MET A 120 -3.958 -5.106 -4.168 1.00 0.00 C ATOM 283 O MET A 120 -4.156 -6.115 -3.490 1.00 0.00 O ATOM 284 CB MET A 120 -1.754 -3.972 -3.833 1.00 0.00 C ATOM 285 CG MET A 120 -0.292 -3.867 -4.237 1.00 0.00 C ATOM 286 SD MET A 120 0.722 -5.173 -3.518 1.00 0.00 S ATOM 287 CE MET A 120 1.127 -4.452 -1.928 1.00 0.00 C ATOM 0 H MET A 120 -2.651 -3.162 -6.045 1.00 0.00 H new ATOM 0 HA MET A 120 -2.084 -5.789 -4.933 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.184 -2.971 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.816 -4.387 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.215 -3.909 -5.323 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.098 -2.897 -3.927 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.928 -5.026 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.453 -3.421 -2.068 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.247 -4.470 -1.286 1.00 0.00 H new ATOM 297 N ALA A 121 -4.900 -4.200 -4.409 1.00 0.00 N ATOM 298 CA ALA A 121 -6.252 -4.344 -3.880 1.00 0.00 C ATOM 299 C ALA A 121 -7.275 -4.435 -5.007 1.00 0.00 C ATOM 300 O ALA A 121 -6.938 -4.264 -6.178 1.00 0.00 O ATOM 301 CB ALA A 121 -6.583 -3.183 -2.955 1.00 0.00 C ATOM 0 H ALA A 121 -4.752 -3.359 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.296 -5.272 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.595 -3.303 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.876 -3.166 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.515 -2.246 -3.508 1.00 0.00 H new ATOM 307 N GLN A 122 -8.526 -4.703 -4.645 1.00 0.00 N ATOM 308 CA GLN A 122 -9.597 -4.817 -5.627 1.00 0.00 C ATOM 309 C GLN A 122 -10.272 -3.468 -5.855 1.00 0.00 C ATOM 310 O GLN A 122 -10.185 -2.895 -6.942 1.00 0.00 O ATOM 311 CB GLN A 122 -10.632 -5.846 -5.168 1.00 0.00 C ATOM 312 CG GLN A 122 -10.046 -7.226 -4.915 1.00 0.00 C ATOM 313 CD GLN A 122 -9.481 -7.859 -6.171 1.00 0.00 C ATOM 314 OE1 GLN A 122 -10.219 -8.193 -7.099 1.00 0.00 O ATOM 315 NE2 GLN A 122 -8.164 -8.029 -6.208 1.00 0.00 N ATOM 0 H GLN A 122 -8.822 -4.845 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.158 -5.148 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -11.107 -5.489 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.414 -5.925 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.259 -7.150 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.819 -7.874 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.590 -7.738 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.727 -8.451 -7.028 1.00 0.00 H new ATOM 324 N HIS A 123 -10.943 -2.966 -4.824 1.00 0.00 N ATOM 325 CA HIS A 123 -11.633 -1.684 -4.913 1.00 0.00 C ATOM 326 C HIS A 123 -11.145 -0.728 -3.828 1.00 0.00 C ATOM 327 O HIS A 123 -10.417 -1.126 -2.917 1.00 0.00 O ATOM 328 CB HIS A 123 -13.144 -1.883 -4.790 1.00 0.00 C ATOM 329 CG HIS A 123 -13.538 -2.811 -3.683 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.034 -2.371 -2.474 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.506 -4.162 -3.606 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.291 -3.411 -1.701 1.00 0.00 C ATOM 333 NE2 HIS A 123 -13.979 -4.511 -2.365 1.00 0.00 N ATOM 0 H HIS A 123 -11.024 -3.427 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.410 -1.247 -5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.618 -0.915 -4.627 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.529 -2.271 -5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.171 -4.840 -4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.688 -3.370 -0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.074 -5.464 -2.013 1.00 0.00 H new ATOM 341 N LEU A 124 -11.548 0.533 -3.932 1.00 0.00 N ATOM 342 CA LEU A 124 -11.151 1.546 -2.961 1.00 0.00 C ATOM 343 C LEU A 124 -11.493 1.102 -1.541 1.00 0.00 C ATOM 344 O LEU A 124 -10.661 1.184 -0.638 1.00 0.00 O ATOM 345 CB LEU A 124 -11.839 2.877 -3.271 1.00 0.00 C ATOM 346 CG LEU A 124 -11.606 4.004 -2.264 1.00 0.00 C ATOM 347 CD1 LEU A 124 -10.205 4.575 -2.416 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.652 5.096 -2.435 1.00 0.00 C ATOM 0 H LEU A 124 -12.150 0.879 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.071 1.678 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.503 3.217 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.912 2.700 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.700 3.593 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -10.058 5.376 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.471 3.788 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -10.081 4.971 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.471 5.890 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.590 5.504 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.645 4.677 -2.274 1.00 0.00 H new ATOM 360 N GLN A 125 -12.722 0.632 -1.354 1.00 0.00 N ATOM 361 CA GLN A 125 -13.172 0.175 -0.045 1.00 0.00 C ATOM 362 C GLN A 125 -12.291 -0.960 0.468 1.00 0.00 C ATOM 363 O GLN A 125 -12.026 -1.060 1.666 1.00 0.00 O ATOM 364 CB GLN A 125 -14.629 -0.287 -0.116 1.00 0.00 C ATOM 365 CG GLN A 125 -15.394 -0.091 1.183 1.00 0.00 C ATOM 366 CD GLN A 125 -15.112 1.252 1.829 1.00 0.00 C ATOM 367 OE1 GLN A 125 -14.980 2.268 1.145 1.00 0.00 O ATOM 368 NE2 GLN A 125 -15.019 1.264 3.153 1.00 0.00 N ATOM 0 H GLN A 125 -13.423 0.558 -2.091 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.097 1.012 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.136 0.258 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.654 -1.343 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -16.463 -0.179 0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.131 -0.887 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -15.135 0.399 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -14.831 2.139 3.643 1.00 0.00 H new ATOM 377 N ALA A 126 -11.843 -1.813 -0.447 1.00 0.00 N ATOM 378 CA ALA A 126 -10.990 -2.940 -0.087 1.00 0.00 C ATOM 379 C ALA A 126 -9.603 -2.467 0.336 1.00 0.00 C ATOM 380 O ALA A 126 -9.044 -2.953 1.318 1.00 0.00 O ATOM 381 CB ALA A 126 -10.886 -3.915 -1.250 1.00 0.00 C ATOM 0 H ALA A 126 -12.056 -1.746 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.444 -3.451 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.246 -4.751 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.879 -4.287 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.458 -3.407 -2.114 1.00 0.00 H new ATOM 387 N ALA A 127 -9.054 -1.516 -0.413 1.00 0.00 N ATOM 388 CA ALA A 127 -7.733 -0.976 -0.116 1.00 0.00 C ATOM 389 C ALA A 127 -7.742 -0.193 1.192 1.00 0.00 C ATOM 390 O ALA A 127 -6.828 -0.318 2.008 1.00 0.00 O ATOM 391 CB ALA A 127 -7.254 -0.093 -1.258 1.00 0.00 C ATOM 0 H ALA A 127 -9.504 -1.104 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.043 -1.812 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.266 0.303 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.200 -0.681 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.952 0.732 -1.397 1.00 0.00 H new ATOM 397 N VAL A 128 -8.780 0.614 1.387 1.00 0.00 N ATOM 398 CA VAL A 128 -8.908 1.417 2.598 1.00 0.00 C ATOM 399 C VAL A 128 -9.059 0.532 3.830 1.00 0.00 C ATOM 400 O VAL A 128 -8.421 0.766 4.857 1.00 0.00 O ATOM 401 CB VAL A 128 -10.113 2.371 2.513 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.335 3.070 3.845 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.912 3.386 1.397 1.00 0.00 C ATOM 0 H VAL A 128 -9.545 0.729 0.722 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.995 2.005 2.687 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.003 1.784 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.191 3.740 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.527 2.326 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.447 3.645 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.774 4.052 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.012 3.969 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.806 2.865 0.446 1.00 0.00 H new ATOM 413 N ALA A 129 -9.908 -0.484 3.721 1.00 0.00 N ATOM 414 CA ALA A 129 -10.141 -1.406 4.826 1.00 0.00 C ATOM 415 C ALA A 129 -8.860 -2.137 5.212 1.00 0.00 C ATOM 416 O ALA A 129 -8.538 -2.264 6.394 1.00 0.00 O ATOM 417 CB ALA A 129 -11.229 -2.404 4.460 1.00 0.00 C ATOM 0 H ALA A 129 -10.446 -0.690 2.879 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.470 -0.825 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.393 -3.086 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.154 -1.870 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.921 -2.972 3.582 1.00 0.00 H new ATOM 423 N PHE A 130 -8.131 -2.615 4.209 1.00 0.00 N ATOM 424 CA PHE A 130 -6.885 -3.335 4.445 1.00 0.00 C ATOM 425 C PHE A 130 -5.886 -2.460 5.198 1.00 0.00 C ATOM 426 O PHE A 130 -5.218 -2.918 6.124 1.00 0.00 O ATOM 427 CB PHE A 130 -6.278 -3.794 3.117 1.00 0.00 C ATOM 428 CG PHE A 130 -7.063 -4.882 2.444 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.537 -5.963 3.169 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.328 -4.824 1.085 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.261 -6.966 2.552 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.052 -5.824 0.464 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.518 -6.898 1.197 1.00 0.00 C ATOM 0 H PHE A 130 -8.382 -2.517 3.225 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.109 -4.209 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.207 -2.939 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.262 -4.146 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.339 -6.023 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -6.965 -3.988 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.626 -7.803 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.254 -5.766 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 130 -9.081 -7.682 0.712 1.00 0.00 H new ATOM 443 N VAL A 131 -5.791 -1.198 4.793 1.00 0.00 N ATOM 444 CA VAL A 131 -4.875 -0.258 5.429 1.00 0.00 C ATOM 445 C VAL A 131 -5.218 -0.068 6.902 1.00 0.00 C ATOM 446 O VAL A 131 -4.366 -0.231 7.774 1.00 0.00 O ATOM 447 CB VAL A 131 -4.899 1.112 4.726 1.00 0.00 C ATOM 448 CG1 VAL A 131 -3.983 2.095 5.439 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.505 0.968 3.264 1.00 0.00 C ATOM 0 H VAL A 131 -6.337 -0.803 4.027 1.00 0.00 H new ATOM 0 HA VAL A 131 -3.875 -0.684 5.344 1.00 0.00 H new ATOM 0 HB VAL A 131 -5.915 1.504 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.013 3.057 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.316 2.221 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.962 1.712 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.527 1.946 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.499 0.554 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.206 0.301 2.762 1.00 0.00 H new ATOM 459 N GLU A 132 -6.473 0.279 7.172 1.00 0.00 N ATOM 460 CA GLU A 132 -6.929 0.493 8.540 1.00 0.00 C ATOM 461 C GLU A 132 -6.907 -0.812 9.331 1.00 0.00 C ATOM 462 O GLU A 132 -6.818 -0.805 10.558 1.00 0.00 O ATOM 463 CB GLU A 132 -8.341 1.081 8.545 1.00 0.00 C ATOM 464 CG GLU A 132 -8.424 2.472 7.938 1.00 0.00 C ATOM 465 CD GLU A 132 -9.821 3.057 8.006 1.00 0.00 C ATOM 466 OE1 GLU A 132 -10.589 2.656 8.905 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.145 3.916 7.160 1.00 0.00 O ATOM 0 H GLU A 132 -7.191 0.418 6.461 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.248 1.198 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.005 0.414 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.706 1.119 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.732 3.133 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.102 2.430 6.897 1.00 0.00 H new ATOM 474 N GLN A 133 -6.992 -1.930 8.617 1.00 0.00 N ATOM 475 CA GLN A 133 -6.983 -3.244 9.251 1.00 0.00 C ATOM 476 C GLN A 133 -5.556 -3.725 9.487 1.00 0.00 C ATOM 477 O GLN A 133 -5.329 -4.886 9.826 1.00 0.00 O ATOM 478 CB GLN A 133 -7.739 -4.256 8.388 1.00 0.00 C ATOM 479 CG GLN A 133 -9.235 -4.289 8.658 1.00 0.00 C ATOM 480 CD GLN A 133 -9.863 -5.621 8.300 1.00 0.00 C ATOM 481 OE1 GLN A 133 -9.920 -6.534 9.124 1.00 0.00 O ATOM 482 NE2 GLN A 133 -10.339 -5.739 7.067 1.00 0.00 N ATOM 0 H GLN A 133 -7.068 -1.953 7.600 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.482 -3.157 10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.573 -4.020 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.325 -5.249 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.415 -4.078 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.721 -3.497 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.270 -4.956 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.773 -6.613 6.769 1.00 0.00 H new ATOM 491 N GLY A 134 -4.595 -2.823 9.307 1.00 0.00 N ATOM 492 CA GLY A 134 -3.200 -3.175 9.505 1.00 0.00 C ATOM 493 C GLY A 134 -2.782 -4.374 8.676 1.00 0.00 C ATOM 494 O GLY A 134 -1.926 -5.156 9.090 1.00 0.00 O ATOM 0 H GLY A 134 -4.757 -1.855 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.573 -2.322 9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.028 -3.389 10.560 1.00 0.00 H new ATOM 498 N HIS A 135 -3.388 -4.521 7.502 1.00 0.00 N ATOM 499 CA HIS A 135 -3.075 -5.634 6.613 1.00 0.00 C ATOM 500 C HIS A 135 -1.885 -5.297 5.719 1.00 0.00 C ATOM 501 O HIS A 135 -1.232 -6.188 5.175 1.00 0.00 O ATOM 502 CB HIS A 135 -4.289 -5.986 5.754 1.00 0.00 C ATOM 503 CG HIS A 135 -5.246 -6.924 6.424 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.576 -6.820 6.649 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -4.862 -8.138 6.955 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -6.969 -7.961 7.305 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -5.915 -8.740 7.477 1.00 0.00 N flip ATOM 0 H HIS A 135 -4.099 -3.883 7.144 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.813 -6.495 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.816 -5.069 5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.946 -6.435 4.822 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -3.857 -8.534 6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -7.975 -8.185 7.628 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -5.915 -9.651 7.935 1.00 0.00 H new ATOM 515 N VAL A 136 -1.609 -4.005 5.572 1.00 0.00 N ATOM 516 CA VAL A 136 -0.498 -3.551 4.745 1.00 0.00 C ATOM 517 C VAL A 136 0.436 -2.637 5.532 1.00 0.00 C ATOM 518 O VAL A 136 -0.010 -1.832 6.349 1.00 0.00 O ATOM 519 CB VAL A 136 -0.998 -2.801 3.495 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.163 -2.467 2.572 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.050 -3.623 2.767 1.00 0.00 C ATOM 0 H VAL A 136 -2.140 -3.255 6.015 1.00 0.00 H new ATOM 0 HA VAL A 136 0.047 -4.441 4.432 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.457 -1.865 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.210 -1.938 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.878 -1.836 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.655 -3.388 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.392 -3.079 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.619 -4.576 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.894 -3.805 3.432 1.00 0.00 H new ATOM 531 N ARG A 137 1.734 -2.767 5.279 1.00 0.00 N ATOM 532 CA ARG A 137 2.731 -1.955 5.964 1.00 0.00 C ATOM 533 C ARG A 137 3.725 -1.361 4.971 1.00 0.00 C ATOM 534 O ARG A 137 3.900 -1.878 3.868 1.00 0.00 O ATOM 535 CB ARG A 137 3.476 -2.793 7.006 1.00 0.00 C ATOM 536 CG ARG A 137 4.403 -3.833 6.400 1.00 0.00 C ATOM 537 CD ARG A 137 5.582 -4.129 7.315 1.00 0.00 C ATOM 538 NE ARG A 137 5.167 -4.801 8.543 1.00 0.00 N ATOM 539 CZ ARG A 137 6.014 -5.380 9.387 1.00 0.00 C ATOM 540 NH1 ARG A 137 7.316 -5.369 9.135 1.00 0.00 N ATOM 541 NH2 ARG A 137 5.559 -5.971 10.484 1.00 0.00 N ATOM 0 H ARG A 137 2.120 -3.428 4.604 1.00 0.00 H new ATOM 0 HA ARG A 137 2.213 -1.138 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.057 -2.129 7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.749 -3.295 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.847 -4.752 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.769 -3.479 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.303 -4.753 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.089 -3.197 7.565 1.00 0.00 H new ATOM 0 HE ARG A 137 4.172 -4.827 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.669 -4.915 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.965 -5.814 9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.558 -5.981 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.210 -6.415 11.131 1.00 0.00 H new ATOM 555 N VAL A 138 4.371 -0.270 5.369 1.00 0.00 N ATOM 556 CA VAL A 138 5.347 0.396 4.514 1.00 0.00 C ATOM 557 C VAL A 138 6.722 0.428 5.171 1.00 0.00 C ATOM 558 O VAL A 138 6.923 1.098 6.183 1.00 0.00 O ATOM 559 CB VAL A 138 4.914 1.837 4.184 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.924 2.499 3.259 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.525 1.846 3.564 1.00 0.00 C ATOM 0 H VAL A 138 4.236 0.172 6.278 1.00 0.00 H new ATOM 0 HA VAL A 138 5.402 -0.179 3.590 1.00 0.00 H new ATOM 0 HB VAL A 138 4.877 2.409 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.602 3.516 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.899 2.525 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.996 1.930 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.235 2.872 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.533 1.259 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.811 1.413 4.265 1.00 0.00 H new ATOM 571 N GLY A 139 7.668 -0.302 4.588 1.00 0.00 N ATOM 572 CA GLY A 139 9.013 -0.343 5.130 1.00 0.00 C ATOM 573 C GLY A 139 9.038 -0.754 6.589 1.00 0.00 C ATOM 574 O GLY A 139 8.195 -1.521 7.054 1.00 0.00 O ATOM 0 H GLY A 139 7.527 -0.866 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.615 -1.042 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.474 0.639 5.024 1.00 0.00 H new ATOM 578 N PRO A 140 10.026 -0.240 7.336 1.00 0.00 N ATOM 579 CA PRO A 140 10.182 -0.547 8.761 1.00 0.00 C ATOM 580 C PRO A 140 9.082 0.078 9.612 1.00 0.00 C ATOM 581 O PRO A 140 9.096 -0.029 10.838 1.00 0.00 O ATOM 582 CB PRO A 140 11.541 0.068 9.109 1.00 0.00 C ATOM 583 CG PRO A 140 11.732 1.155 8.110 1.00 0.00 C ATOM 584 CD PRO A 140 11.067 0.679 6.848 1.00 0.00 C ATOM 0 HA PRO A 140 10.120 -1.617 8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.549 0.459 10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.338 -0.672 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.287 2.087 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.791 1.350 7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.639 1.507 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.772 0.173 6.188 1.00 0.00 H new ATOM 592 N ASP A 141 8.129 0.729 8.953 1.00 0.00 N ATOM 593 CA ASP A 141 7.018 1.369 9.650 1.00 0.00 C ATOM 594 C ASP A 141 5.684 0.785 9.198 1.00 0.00 C ATOM 595 O ASP A 141 5.414 0.678 8.001 1.00 0.00 O ATOM 596 CB ASP A 141 7.038 2.879 9.404 1.00 0.00 C ATOM 597 CG ASP A 141 8.365 3.509 9.777 1.00 0.00 C ATOM 598 OD1 ASP A 141 9.029 2.994 10.701 1.00 0.00 O ATOM 599 OD2 ASP A 141 8.742 4.517 9.143 1.00 0.00 O ATOM 0 H ASP A 141 8.103 0.828 7.938 1.00 0.00 H new ATOM 0 HA ASP A 141 7.133 1.180 10.717 1.00 0.00 H new ATOM 0 HB2 ASP A 141 6.829 3.076 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.241 3.349 9.981 1.00 0.00 H new ATOM 604 N VAL A 142 4.853 0.407 10.163 1.00 0.00 N ATOM 605 CA VAL A 142 3.546 -0.167 9.865 1.00 0.00 C ATOM 606 C VAL A 142 2.476 0.915 9.785 1.00 0.00 C ATOM 607 O VAL A 142 2.160 1.567 10.780 1.00 0.00 O ATOM 608 CB VAL A 142 3.132 -1.204 10.926 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.695 -1.652 10.704 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.079 -2.395 10.903 1.00 0.00 C ATOM 0 H VAL A 142 5.061 0.488 11.158 1.00 0.00 H new ATOM 0 HA VAL A 142 3.632 -0.662 8.898 1.00 0.00 H new ATOM 0 HB VAL A 142 3.194 -0.737 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.421 -2.384 11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.030 -0.791 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.603 -2.102 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.772 -3.118 11.659 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.050 -2.864 9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.094 -2.057 11.115 1.00 0.00 H new ATOM 620 N VAL A 143 1.918 1.103 8.592 1.00 0.00 N ATOM 621 CA VAL A 143 0.882 2.106 8.381 1.00 0.00 C ATOM 622 C VAL A 143 -0.503 1.533 8.665 1.00 0.00 C ATOM 623 O VAL A 143 -0.842 0.443 8.204 1.00 0.00 O ATOM 624 CB VAL A 143 0.914 2.653 6.942 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.131 3.743 6.761 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.303 3.172 6.602 1.00 0.00 C ATOM 0 H VAL A 143 2.167 0.573 7.757 1.00 0.00 H new ATOM 0 HA VAL A 143 1.085 2.921 9.075 1.00 0.00 H new ATOM 0 HB VAL A 143 0.676 1.839 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.093 4.117 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.121 3.334 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.071 4.560 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.309 3.555 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.571 3.972 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.026 2.361 6.689 1.00 0.00 H new ATOM 636 N THR A 144 -1.300 2.275 9.426 1.00 0.00 N ATOM 637 CA THR A 144 -2.648 1.842 9.772 1.00 0.00 C ATOM 638 C THR A 144 -3.679 2.901 9.398 1.00 0.00 C ATOM 639 O THR A 144 -4.734 3.002 10.024 1.00 0.00 O ATOM 640 CB THR A 144 -2.770 1.532 11.276 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.264 2.629 12.044 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.009 0.264 11.631 1.00 0.00 C ATOM 0 H THR A 144 -1.035 3.180 9.815 1.00 0.00 H new ATOM 0 HA THR A 144 -2.843 0.932 9.204 1.00 0.00 H new ATOM 0 HB THR A 144 -3.824 1.381 11.509 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.346 2.425 12.999 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.110 0.066 12.698 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.416 -0.575 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.955 0.391 11.384 1.00 0.00 H new ATOM 650 N ASP A 145 -3.368 3.686 8.373 1.00 0.00 N ATOM 651 CA ASP A 145 -4.269 4.736 7.913 1.00 0.00 C ATOM 652 C ASP A 145 -4.133 4.949 6.408 1.00 0.00 C ATOM 653 O ASP A 145 -3.032 5.033 5.865 1.00 0.00 O ATOM 654 CB ASP A 145 -3.982 6.044 8.654 1.00 0.00 C ATOM 655 CG ASP A 145 -5.143 7.017 8.580 1.00 0.00 C ATOM 656 OD1 ASP A 145 -6.227 6.688 9.105 1.00 0.00 O ATOM 657 OD2 ASP A 145 -4.966 8.108 7.998 1.00 0.00 O ATOM 0 H ASP A 145 -2.498 3.615 7.845 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.291 4.423 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.761 5.826 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.093 6.511 8.231 1.00 0.00 H new ATOM 662 N PRO A 146 -5.280 5.037 5.717 1.00 0.00 N ATOM 663 CA PRO A 146 -5.316 5.241 4.266 1.00 0.00 C ATOM 664 C PRO A 146 -4.852 6.638 3.865 1.00 0.00 C ATOM 665 O PRO A 146 -4.481 6.871 2.715 1.00 0.00 O ATOM 666 CB PRO A 146 -6.794 5.047 3.917 1.00 0.00 C ATOM 667 CG PRO A 146 -7.525 5.378 5.172 1.00 0.00 C ATOM 668 CD PRO A 146 -6.630 4.947 6.300 1.00 0.00 C ATOM 0 HA PRO A 146 -4.647 4.558 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.097 5.700 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.995 4.024 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.738 6.445 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.483 4.859 5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.737 5.597 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.859 3.934 6.630 1.00 0.00 H new ATOM 676 N ALA A 147 -4.875 7.561 4.820 1.00 0.00 N ATOM 677 CA ALA A 147 -4.455 8.933 4.566 1.00 0.00 C ATOM 678 C ALA A 147 -2.935 9.042 4.521 1.00 0.00 C ATOM 679 O ALA A 147 -2.384 10.137 4.400 1.00 0.00 O ATOM 680 CB ALA A 147 -5.021 9.864 5.629 1.00 0.00 C ATOM 0 H ALA A 147 -5.180 7.384 5.777 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.844 9.231 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.699 10.886 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.110 9.816 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.660 9.558 6.611 1.00 0.00 H new ATOM 686 N PHE A 148 -2.261 7.901 4.620 1.00 0.00 N ATOM 687 CA PHE A 148 -0.803 7.868 4.593 1.00 0.00 C ATOM 688 C PHE A 148 -0.280 8.127 3.183 1.00 0.00 C ATOM 689 O PHE A 148 -0.660 7.442 2.232 1.00 0.00 O ATOM 690 CB PHE A 148 -0.293 6.518 5.099 1.00 0.00 C ATOM 691 CG PHE A 148 1.200 6.372 5.014 1.00 0.00 C ATOM 692 CD1 PHE A 148 2.031 7.134 5.820 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.772 5.471 4.131 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.404 7.002 5.743 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.146 5.335 4.051 1.00 0.00 C ATOM 696 CZ PHE A 148 3.962 6.100 4.859 1.00 0.00 C ATOM 0 H PHE A 148 -2.701 6.986 4.720 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.434 8.656 5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.605 6.386 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.762 5.722 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.600 7.839 6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.138 4.868 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.041 7.604 6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.580 4.631 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.035 5.993 4.800 1.00 0.00 H new ATOM 706 N LEU A 149 0.593 9.119 3.056 1.00 0.00 N ATOM 707 CA LEU A 149 1.170 9.470 1.762 1.00 0.00 C ATOM 708 C LEU A 149 2.408 8.627 1.471 1.00 0.00 C ATOM 709 O LEU A 149 3.229 8.385 2.356 1.00 0.00 O ATOM 710 CB LEU A 149 1.530 10.956 1.728 1.00 0.00 C ATOM 711 CG LEU A 149 0.361 11.933 1.864 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.868 13.365 1.931 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.613 11.763 0.707 1.00 0.00 C ATOM 0 H LEU A 149 0.918 9.695 3.833 1.00 0.00 H new ATOM 0 HA LEU A 149 0.426 9.266 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.240 11.156 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.044 11.164 0.789 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.167 11.712 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.023 14.046 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.526 13.478 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.420 13.599 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.438 12.466 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.098 11.957 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.001 10.745 0.705 1.00 0.00 H new ATOM 725 N VAL A 150 2.538 8.187 0.224 1.00 0.00 N ATOM 726 CA VAL A 150 3.678 7.376 -0.185 1.00 0.00 C ATOM 727 C VAL A 150 4.386 7.987 -1.388 1.00 0.00 C ATOM 728 O VAL A 150 3.747 8.545 -2.282 1.00 0.00 O ATOM 729 CB VAL A 150 3.248 5.938 -0.533 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.391 5.184 -1.195 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.769 5.208 0.713 1.00 0.00 C ATOM 0 H VAL A 150 1.868 8.379 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 150 4.365 7.348 0.661 1.00 0.00 H new ATOM 0 HB VAL A 150 2.419 5.987 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.068 4.170 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.683 5.697 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.242 5.143 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.469 4.194 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.576 5.168 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.918 5.738 1.140 1.00 0.00 H new ATOM 741 N THR A 151 5.711 7.881 -1.406 1.00 0.00 N ATOM 742 CA THR A 151 6.507 8.426 -2.499 1.00 0.00 C ATOM 743 C THR A 151 7.016 7.317 -3.414 1.00 0.00 C ATOM 744 O THR A 151 6.979 6.139 -3.056 1.00 0.00 O ATOM 745 CB THR A 151 7.708 9.233 -1.972 1.00 0.00 C ATOM 746 OG1 THR A 151 8.444 9.788 -3.068 1.00 0.00 O ATOM 747 CG2 THR A 151 8.623 8.355 -1.132 1.00 0.00 C ATOM 0 H THR A 151 6.256 7.422 -0.676 1.00 0.00 H new ATOM 0 HA THR A 151 5.854 9.090 -3.065 1.00 0.00 H new ATOM 0 HB THR A 151 7.329 10.040 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.205 10.301 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 151 9.464 8.947 -0.771 1.00 0.00 H new ATOM 0 HG22 THR A 151 8.067 7.958 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 151 8.994 7.530 -1.740 1.00 0.00 H new ATOM 755 N ARG A 152 7.492 7.701 -4.594 1.00 0.00 N ATOM 756 CA ARG A 152 8.008 6.738 -5.559 1.00 0.00 C ATOM 757 C ARG A 152 9.043 5.821 -4.913 1.00 0.00 C ATOM 758 O ARG A 152 9.063 4.617 -5.165 1.00 0.00 O ATOM 759 CB ARG A 152 8.630 7.465 -6.753 1.00 0.00 C ATOM 760 CG ARG A 152 7.644 7.744 -7.876 1.00 0.00 C ATOM 761 CD ARG A 152 7.320 6.482 -8.659 1.00 0.00 C ATOM 762 NE ARG A 152 6.794 6.782 -9.989 1.00 0.00 N ATOM 763 CZ ARG A 152 7.551 7.170 -11.008 1.00 0.00 C ATOM 764 NH1 ARG A 152 8.862 7.303 -10.853 1.00 0.00 N ATOM 765 NH2 ARG A 152 6.999 7.425 -12.188 1.00 0.00 N ATOM 0 H ARG A 152 7.531 8.672 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 152 7.174 6.128 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 152 9.056 8.409 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.453 6.867 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 152 6.727 8.161 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.060 8.494 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 152 8.219 5.873 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 152 6.591 5.890 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 152 5.790 6.688 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 152 9.291 7.107 -9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.441 7.601 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 152 5.992 7.323 -12.313 1.00 0.00 H new ATOM 0 HH22 ARG A 152 7.582 7.723 -12.970 1.00 0.00 H new ATOM 779 N SER A 153 9.900 6.401 -4.080 1.00 0.00 N ATOM 780 CA SER A 153 10.941 5.638 -3.400 1.00 0.00 C ATOM 781 C SER A 153 10.334 4.681 -2.379 1.00 0.00 C ATOM 782 O SER A 153 10.963 3.702 -1.980 1.00 0.00 O ATOM 783 CB SER A 153 11.927 6.581 -2.709 1.00 0.00 C ATOM 784 OG SER A 153 12.951 6.991 -3.599 1.00 0.00 O ATOM 0 H SER A 153 9.895 7.397 -3.859 1.00 0.00 H new ATOM 0 HA SER A 153 11.475 5.053 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.396 7.456 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 153 12.369 6.082 -1.847 1.00 0.00 H new ATOM 0 HG SER A 153 13.567 7.594 -3.133 1.00 0.00 H new ATOM 790 N MET A 154 9.107 4.973 -1.961 1.00 0.00 N ATOM 791 CA MET A 154 8.413 4.138 -0.987 1.00 0.00 C ATOM 792 C MET A 154 7.493 3.141 -1.683 1.00 0.00 C ATOM 793 O MET A 154 7.158 2.098 -1.123 1.00 0.00 O ATOM 794 CB MET A 154 7.605 5.009 -0.022 1.00 0.00 C ATOM 795 CG MET A 154 8.387 5.440 1.208 1.00 0.00 C ATOM 796 SD MET A 154 7.323 5.767 2.626 1.00 0.00 S ATOM 797 CE MET A 154 8.144 4.804 3.894 1.00 0.00 C ATOM 0 H MET A 154 8.573 5.781 -2.281 1.00 0.00 H new ATOM 0 HA MET A 154 9.161 3.581 -0.423 1.00 0.00 H new ATOM 0 HB2 MET A 154 7.257 5.896 -0.551 1.00 0.00 H new ATOM 0 HB3 MET A 154 6.719 4.459 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.105 4.662 1.469 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.960 6.337 0.974 1.00 0.00 H new ATOM 0 HE1 MET A 154 7.418 4.502 4.649 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.591 3.917 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 154 8.924 5.406 4.361 1.00 0.00 H new ATOM 807 N GLU A 155 7.089 3.468 -2.907 1.00 0.00 N ATOM 808 CA GLU A 155 6.207 2.600 -3.677 1.00 0.00 C ATOM 809 C GLU A 155 6.789 1.193 -3.787 1.00 0.00 C ATOM 810 O GLU A 155 6.064 0.227 -4.022 1.00 0.00 O ATOM 811 CB GLU A 155 5.977 3.180 -5.074 1.00 0.00 C ATOM 812 CG GLU A 155 5.016 4.356 -5.095 1.00 0.00 C ATOM 813 CD GLU A 155 4.373 4.561 -6.453 1.00 0.00 C ATOM 814 OE1 GLU A 155 4.333 3.593 -7.241 1.00 0.00 O ATOM 815 OE2 GLU A 155 3.909 5.687 -6.726 1.00 0.00 O ATOM 0 H GLU A 155 7.359 4.327 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 155 5.252 2.539 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.934 3.497 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.592 2.395 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 155 4.237 4.197 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.551 5.262 -4.810 1.00 0.00 H new ATOM 822 N ASP A 156 8.103 1.088 -3.619 1.00 0.00 N ATOM 823 CA ASP A 156 8.783 -0.199 -3.698 1.00 0.00 C ATOM 824 C ASP A 156 8.903 -0.837 -2.318 1.00 0.00 C ATOM 825 O ASP A 156 9.144 -2.038 -2.197 1.00 0.00 O ATOM 826 CB ASP A 156 10.170 -0.029 -4.317 1.00 0.00 C ATOM 827 CG ASP A 156 10.755 -1.342 -4.800 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.188 -1.933 -5.744 1.00 0.00 O ATOM 829 OD2 ASP A 156 11.779 -1.778 -4.235 1.00 0.00 O ATOM 0 H ASP A 156 8.718 1.879 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 156 8.189 -0.857 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.108 0.667 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.841 0.415 -3.581 1.00 0.00 H new ATOM 834 N PHE A 157 8.734 -0.025 -1.280 1.00 0.00 N ATOM 835 CA PHE A 157 8.826 -0.509 0.093 1.00 0.00 C ATOM 836 C PHE A 157 7.444 -0.861 0.638 1.00 0.00 C ATOM 837 O PHE A 157 7.207 -0.801 1.845 1.00 0.00 O ATOM 838 CB PHE A 157 9.485 0.544 0.985 1.00 0.00 C ATOM 839 CG PHE A 157 10.980 0.419 1.055 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.745 0.438 -0.099 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.621 0.282 2.277 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.121 0.323 -0.038 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.996 0.167 2.343 1.00 0.00 C ATOM 844 CZ PHE A 157 13.747 0.187 1.184 1.00 0.00 C ATOM 0 H PHE A 157 8.533 0.971 -1.363 1.00 0.00 H new ATOM 0 HA PHE A 157 9.439 -1.410 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.228 1.536 0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.074 0.465 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.261 0.544 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 157 11.039 0.265 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.706 0.340 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.484 0.061 3.301 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.822 0.096 1.234 1.00 0.00 H new ATOM 854 N VAL A 158 6.536 -1.229 -0.260 1.00 0.00 N ATOM 855 CA VAL A 158 5.178 -1.591 0.130 1.00 0.00 C ATOM 856 C VAL A 158 5.002 -3.105 0.163 1.00 0.00 C ATOM 857 O VAL A 158 5.203 -3.788 -0.843 1.00 0.00 O ATOM 858 CB VAL A 158 4.138 -0.985 -0.830 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.745 -1.503 -0.504 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.178 0.534 -0.768 1.00 0.00 C ATOM 0 H VAL A 158 6.716 -1.284 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 158 5.017 -1.187 1.129 1.00 0.00 H new ATOM 0 HB VAL A 158 4.385 -1.291 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.023 -1.064 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.728 -2.588 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.485 -1.228 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.437 0.946 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.956 0.863 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.170 0.884 -1.054 1.00 0.00 H new ATOM 870 N THR A 159 4.623 -3.627 1.326 1.00 0.00 N ATOM 871 CA THR A 159 4.420 -5.060 1.491 1.00 0.00 C ATOM 872 C THR A 159 3.225 -5.346 2.394 1.00 0.00 C ATOM 873 O THR A 159 2.821 -4.498 3.190 1.00 0.00 O ATOM 874 CB THR A 159 5.669 -5.741 2.081 1.00 0.00 C ATOM 875 OG1 THR A 159 5.433 -7.143 2.243 1.00 0.00 O ATOM 876 CG2 THR A 159 6.039 -5.125 3.422 1.00 0.00 C ATOM 0 H THR A 159 4.451 -3.077 2.168 1.00 0.00 H new ATOM 0 HA THR A 159 4.228 -5.468 0.498 1.00 0.00 H new ATOM 0 HB THR A 159 6.498 -5.591 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.233 -7.568 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.924 -5.622 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.248 -4.063 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.210 -5.247 4.120 1.00 0.00 H new ATOM 884 N TRP A 160 2.667 -6.544 2.267 1.00 0.00 N ATOM 885 CA TRP A 160 1.519 -6.940 3.074 1.00 0.00 C ATOM 886 C TRP A 160 1.965 -7.468 4.434 1.00 0.00 C ATOM 887 O TRP A 160 2.883 -8.282 4.523 1.00 0.00 O ATOM 888 CB TRP A 160 0.700 -8.006 2.343 1.00 0.00 C ATOM 889 CG TRP A 160 0.003 -7.486 1.122 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.467 -7.520 -0.162 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.280 -6.854 1.072 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.452 -6.946 -1.008 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.532 -6.530 -0.276 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.241 -6.532 2.033 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.706 -5.900 -0.683 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.406 -5.906 1.628 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.629 -5.595 0.279 1.00 0.00 C ATOM 0 H TRP A 160 2.990 -7.257 1.614 1.00 0.00 H new ATOM 0 HA TRP A 160 0.897 -6.059 3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.358 -8.826 2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -0.041 -8.418 3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.416 -7.936 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.347 -6.846 -2.018 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -2.077 -6.768 3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.881 -5.661 -1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -4.156 -5.653 2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.548 -5.105 -0.006 1.00 0.00 H new ATOM 908 N VAL A 161 1.308 -6.999 5.490 1.00 0.00 N ATOM 909 CA VAL A 161 1.636 -7.425 6.845 1.00 0.00 C ATOM 910 C VAL A 161 1.583 -8.944 6.972 1.00 0.00 C ATOM 911 O VAL A 161 2.550 -9.574 7.398 1.00 0.00 O ATOM 912 CB VAL A 161 0.677 -6.801 7.877 1.00 0.00 C ATOM 913 CG1 VAL A 161 0.857 -7.457 9.238 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.896 -5.298 7.967 1.00 0.00 C ATOM 0 H VAL A 161 0.545 -6.324 5.433 1.00 0.00 H new ATOM 0 HA VAL A 161 2.650 -7.082 7.048 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.347 -6.977 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.172 -7.003 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.646 -8.523 9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.883 -7.315 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 161 0.210 -4.874 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.923 -5.098 8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.712 -4.844 6.993 1.00 0.00 H new