USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=6 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 Set 1.1: A 133 GLN : amide:sc= 0.107 K(o=-1.2,f=-2.7) USER MOD Set 1.2: A 135 HIS : no HD1:sc= -1.34 K(o=-1.2,f=-3.3) 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 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 122 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.22) USER MOD Single : A 123 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-5.8!) USER MOD Single : A 125 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.98) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl -124:sc= -0.381 (180deg=-1.16) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.0981 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.245 10.248 -2.352 1.00 0.00 N ATOM 67 CA ARG A 109 0.022 9.580 -2.781 1.00 0.00 C ATOM 68 C ARG A 109 -0.503 8.653 -1.688 1.00 0.00 C ATOM 69 O ARG A 109 0.268 7.956 -1.029 1.00 0.00 O ATOM 70 CB ARG A 109 0.275 8.782 -4.062 1.00 0.00 C ATOM 71 CG ARG A 109 0.682 9.645 -5.245 1.00 0.00 C ATOM 72 CD ARG A 109 -0.528 10.104 -6.044 1.00 0.00 C ATOM 73 NE ARG A 109 -1.053 11.377 -5.557 1.00 0.00 N ATOM 74 CZ ARG A 109 -0.446 12.543 -5.748 1.00 0.00 C ATOM 75 NH1 ARG A 109 0.701 12.597 -6.410 1.00 0.00 N ATOM 76 NH2 ARG A 109 -0.986 13.659 -5.275 1.00 0.00 N ATOM 0 HA ARG A 109 -0.730 10.344 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 109 1.057 8.046 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.628 8.229 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 109 1.235 10.514 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.355 9.082 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.253 10.203 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.308 9.345 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.934 11.370 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.120 11.742 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.164 13.494 -6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.868 13.622 -4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -0.519 14.554 -5.422 1.00 0.00 H new ATOM 90 N ARG A 110 -1.819 8.653 -1.501 1.00 0.00 N ATOM 91 CA ARG A 110 -2.446 7.815 -0.487 1.00 0.00 C ATOM 92 C ARG A 110 -2.174 6.338 -0.759 1.00 0.00 C ATOM 93 O ARG A 110 -2.167 5.897 -1.909 1.00 0.00 O ATOM 94 CB ARG A 110 -3.955 8.067 -0.449 1.00 0.00 C ATOM 95 CG ARG A 110 -4.340 9.507 -0.745 1.00 0.00 C ATOM 96 CD ARG A 110 -5.725 9.835 -0.213 1.00 0.00 C ATOM 97 NE ARG A 110 -6.770 9.544 -1.191 1.00 0.00 N ATOM 98 CZ ARG A 110 -8.055 9.821 -0.998 1.00 0.00 C ATOM 99 NH1 ARG A 110 -8.450 10.394 0.130 1.00 0.00 N ATOM 100 NH2 ARG A 110 -8.947 9.525 -1.935 1.00 0.00 N ATOM 0 H ARG A 110 -2.471 9.224 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.016 8.075 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.442 7.414 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.336 7.793 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.609 10.180 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.313 9.678 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.909 9.262 0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.768 10.889 0.061 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.498 9.104 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.767 10.623 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.437 10.606 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.646 9.084 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.933 9.738 -1.786 1.00 0.00 H new ATOM 114 N LEU A 111 -1.948 5.578 0.308 1.00 0.00 N ATOM 115 CA LEU A 111 -1.675 4.151 0.186 1.00 0.00 C ATOM 116 C LEU A 111 -2.778 3.449 -0.599 1.00 0.00 C ATOM 117 O LEU A 111 -2.524 2.591 -1.444 1.00 0.00 O ATOM 118 CB LEU A 111 -1.538 3.517 1.572 1.00 0.00 C ATOM 119 CG LEU A 111 -0.782 2.189 1.631 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.648 2.367 1.145 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.800 1.628 3.045 1.00 0.00 C ATOM 0 H LEU A 111 -1.949 5.927 1.266 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.737 4.032 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.034 4.228 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.537 3.362 1.979 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.282 1.479 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.171 1.412 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.640 2.724 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.159 3.093 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.257 0.683 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.325 2.336 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.831 1.462 3.358 1.00 0.00 H new ATOM 133 N PRO A 112 -4.036 3.824 -0.317 1.00 0.00 N ATOM 134 CA PRO A 112 -5.203 3.245 -0.988 1.00 0.00 C ATOM 135 C PRO A 112 -5.117 3.363 -2.506 1.00 0.00 C ATOM 136 O PRO A 112 -5.435 2.420 -3.231 1.00 0.00 O ATOM 137 CB PRO A 112 -6.369 4.079 -0.451 1.00 0.00 C ATOM 138 CG PRO A 112 -5.894 4.594 0.863 1.00 0.00 C ATOM 139 CD PRO A 112 -4.412 4.841 0.678 1.00 0.00 C ATOM 0 HA PRO A 112 -5.299 2.177 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.617 4.895 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.269 3.474 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.415 5.511 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.077 3.872 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.211 5.851 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.861 4.718 1.611 1.00 0.00 H new ATOM 147 N THR A 113 -4.686 4.528 -2.980 1.00 0.00 N ATOM 148 CA THR A 113 -4.559 4.769 -4.412 1.00 0.00 C ATOM 149 C THR A 113 -3.422 3.949 -5.010 1.00 0.00 C ATOM 150 O THR A 113 -3.568 3.350 -6.075 1.00 0.00 O ATOM 151 CB THR A 113 -4.314 6.260 -4.711 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.363 7.052 -4.144 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.240 6.507 -6.210 1.00 0.00 C ATOM 0 H THR A 113 -4.419 5.319 -2.394 1.00 0.00 H new ATOM 0 HA THR A 113 -5.501 4.464 -4.868 1.00 0.00 H new ATOM 0 HB THR A 113 -3.361 6.545 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.199 7.999 -4.337 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.066 7.567 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.422 5.925 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.179 6.206 -6.675 1.00 0.00 H new ATOM 161 N VAL A 114 -2.288 3.926 -4.317 1.00 0.00 N ATOM 162 CA VAL A 114 -1.125 3.178 -4.778 1.00 0.00 C ATOM 163 C VAL A 114 -1.408 1.680 -4.799 1.00 0.00 C ATOM 164 O VAL A 114 -0.919 0.957 -5.667 1.00 0.00 O ATOM 165 CB VAL A 114 0.104 3.444 -3.887 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.307 2.660 -4.389 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.411 4.933 -3.838 1.00 0.00 C ATOM 0 H VAL A 114 -2.150 4.417 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.911 3.519 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.122 3.108 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.165 2.860 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.080 1.594 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.539 2.963 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.282 5.104 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.618 5.295 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.446 5.468 -3.429 1.00 0.00 H new ATOM 177 N LEU A 115 -2.202 1.220 -3.838 1.00 0.00 N ATOM 178 CA LEU A 115 -2.552 -0.193 -3.746 1.00 0.00 C ATOM 179 C LEU A 115 -3.429 -0.615 -4.920 1.00 0.00 C ATOM 180 O LEU A 115 -3.211 -1.665 -5.525 1.00 0.00 O ATOM 181 CB LEU A 115 -3.275 -0.474 -2.427 1.00 0.00 C ATOM 182 CG LEU A 115 -2.383 -0.780 -1.224 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.149 -0.577 0.074 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.843 -2.201 -1.309 1.00 0.00 C ATOM 0 H LEU A 115 -2.615 1.805 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.630 -0.773 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.894 0.390 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.949 -1.317 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.540 -0.090 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.498 -0.800 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.487 0.457 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.012 -1.243 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.210 -2.402 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.674 -2.906 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.258 -2.314 -2.222 1.00 0.00 H new ATOM 196 N LEU A 116 -4.418 0.212 -5.239 1.00 0.00 N ATOM 197 CA LEU A 116 -5.327 -0.074 -6.343 1.00 0.00 C ATOM 198 C LEU A 116 -4.569 -0.163 -7.664 1.00 0.00 C ATOM 199 O LEU A 116 -4.821 -1.053 -8.478 1.00 0.00 O ATOM 200 CB LEU A 116 -6.407 1.006 -6.435 1.00 0.00 C ATOM 201 CG LEU A 116 -7.386 1.078 -5.262 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.245 2.330 -5.359 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.258 -0.168 -5.220 1.00 0.00 C ATOM 0 H LEU A 116 -4.611 1.086 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.800 -1.037 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.917 1.975 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.978 0.844 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.812 1.128 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.935 2.364 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.605 3.212 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.811 2.312 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.949 -0.101 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.823 -0.248 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.628 -1.049 -5.102 1.00 0.00 H new ATOM 215 N LYS A 117 -3.638 0.761 -7.869 1.00 0.00 N ATOM 216 CA LYS A 117 -2.838 0.786 -9.088 1.00 0.00 C ATOM 217 C LYS A 117 -1.839 -0.365 -9.107 1.00 0.00 C ATOM 218 O LYS A 117 -1.534 -0.920 -10.165 1.00 0.00 O ATOM 219 CB LYS A 117 -2.099 2.120 -9.211 1.00 0.00 C ATOM 220 CG LYS A 117 -1.047 2.134 -10.307 1.00 0.00 C ATOM 221 CD LYS A 117 0.307 1.679 -9.786 1.00 0.00 C ATOM 222 CE LYS A 117 1.410 1.941 -10.801 1.00 0.00 C ATOM 223 NZ LYS A 117 1.398 0.940 -11.902 1.00 0.00 N ATOM 0 H LYS A 117 -3.418 1.504 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.512 0.672 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.824 2.911 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.622 2.351 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.361 1.483 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.961 3.140 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.535 2.201 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.270 0.615 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.290 2.941 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.378 1.918 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.164 1.152 -12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.538 -0.012 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.484 0.979 -12.397 1.00 0.00 H new ATOM 237 N LEU A 118 -1.332 -0.722 -7.931 1.00 0.00 N ATOM 238 CA LEU A 118 -0.367 -1.810 -7.813 1.00 0.00 C ATOM 239 C LEU A 118 -1.072 -3.162 -7.777 1.00 0.00 C ATOM 240 O LEU A 118 -0.493 -4.164 -7.358 1.00 0.00 O ATOM 241 CB LEU A 118 0.480 -1.630 -6.552 1.00 0.00 C ATOM 242 CG LEU A 118 1.651 -0.653 -6.664 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.496 -0.685 -5.401 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.500 -0.976 -7.885 1.00 0.00 C ATOM 0 H LEU A 118 -1.573 -0.274 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 118 0.283 -1.784 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.172 -1.294 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.872 -2.604 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 118 1.249 0.353 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.324 0.017 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.882 -0.404 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.888 -1.691 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.329 -0.271 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.892 -1.989 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.888 -0.900 -8.784 1.00 0.00 H new ATOM 256 N ARG A 119 -2.325 -3.183 -8.221 1.00 0.00 N ATOM 257 CA ARG A 119 -3.108 -4.412 -8.241 1.00 0.00 C ATOM 258 C ARG A 119 -3.055 -5.112 -6.886 1.00 0.00 C ATOM 259 O ARG A 119 -3.223 -6.328 -6.798 1.00 0.00 O ATOM 260 CB ARG A 119 -2.595 -5.351 -9.334 1.00 0.00 C ATOM 261 CG ARG A 119 -2.745 -4.791 -10.738 1.00 0.00 C ATOM 262 CD ARG A 119 -4.132 -5.060 -11.300 1.00 0.00 C ATOM 263 NE ARG A 119 -4.319 -4.448 -12.612 1.00 0.00 N ATOM 264 CZ ARG A 119 -5.437 -4.557 -13.322 1.00 0.00 C ATOM 265 NH1 ARG A 119 -6.462 -5.253 -12.848 1.00 0.00 N ATOM 266 NH2 ARG A 119 -5.532 -3.970 -14.508 1.00 0.00 N ATOM 0 H ARG A 119 -2.819 -2.362 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.144 -4.150 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.543 -5.569 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.133 -6.297 -9.270 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.559 -3.717 -10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -1.994 -5.236 -11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.290 -6.136 -11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.883 -4.676 -10.610 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.549 -3.907 -13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.393 -5.706 -11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.319 -5.335 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.746 -3.434 -14.876 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.391 -4.055 -15.052 1.00 0.00 H new ATOM 280 N MET A 120 -2.820 -4.336 -5.833 1.00 0.00 N ATOM 281 CA MET A 120 -2.745 -4.882 -4.483 1.00 0.00 C ATOM 282 C MET A 120 -4.138 -5.055 -3.889 1.00 0.00 C ATOM 283 O MET A 120 -4.376 -5.964 -3.093 1.00 0.00 O ATOM 284 CB MET A 120 -1.905 -3.969 -3.587 1.00 0.00 C ATOM 285 CG MET A 120 -0.481 -3.775 -4.081 1.00 0.00 C ATOM 286 SD MET A 120 0.646 -5.042 -3.465 1.00 0.00 S ATOM 287 CE MET A 120 1.106 -4.345 -1.881 1.00 0.00 C ATOM 0 H MET A 120 -2.678 -3.327 -5.889 1.00 0.00 H new ATOM 0 HA MET A 120 -2.269 -5.861 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.392 -2.996 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.878 -4.387 -2.581 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.474 -3.786 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 120 -0.123 -2.793 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.802 -5.015 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.581 -3.376 -2.034 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.215 -4.219 -1.266 1.00 0.00 H new ATOM 297 N ALA A 121 -5.058 -4.179 -4.281 1.00 0.00 N ATOM 298 CA ALA A 121 -6.428 -4.238 -3.788 1.00 0.00 C ATOM 299 C ALA A 121 -7.424 -4.297 -4.942 1.00 0.00 C ATOM 300 O ALA A 121 -7.059 -4.096 -6.099 1.00 0.00 O ATOM 301 CB ALA A 121 -6.720 -3.039 -2.898 1.00 0.00 C ATOM 0 H ALA A 121 -4.879 -3.420 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.538 -5.149 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.747 -3.096 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -6.036 -3.041 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.587 -2.121 -3.470 1.00 0.00 H new ATOM 307 N GLN A 122 -8.683 -4.574 -4.616 1.00 0.00 N ATOM 308 CA GLN A 122 -9.731 -4.661 -5.627 1.00 0.00 C ATOM 309 C GLN A 122 -10.357 -3.293 -5.881 1.00 0.00 C ATOM 310 O GLN A 122 -10.307 -2.774 -6.997 1.00 0.00 O ATOM 311 CB GLN A 122 -10.808 -5.655 -5.190 1.00 0.00 C ATOM 312 CG GLN A 122 -11.746 -6.067 -6.313 1.00 0.00 C ATOM 313 CD GLN A 122 -11.012 -6.671 -7.495 1.00 0.00 C ATOM 314 OE1 GLN A 122 -10.669 -7.853 -7.490 1.00 0.00 O ATOM 315 NE2 GLN A 122 -10.767 -5.859 -8.517 1.00 0.00 N ATOM 0 H GLN A 122 -9.002 -4.742 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.279 -5.011 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.327 -6.545 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.393 -5.213 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.468 -6.789 -5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.311 -5.197 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -11.069 -4.886 -8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.276 -6.209 -9.340 1.00 0.00 H new ATOM 324 N HIS A 123 -10.946 -2.715 -4.840 1.00 0.00 N ATOM 325 CA HIS A 123 -11.582 -1.407 -4.950 1.00 0.00 C ATOM 326 C HIS A 123 -11.105 -0.475 -3.840 1.00 0.00 C ATOM 327 O HIS A 123 -10.427 -0.903 -2.904 1.00 0.00 O ATOM 328 CB HIS A 123 -13.103 -1.550 -4.895 1.00 0.00 C ATOM 329 CG HIS A 123 -13.578 -2.493 -3.833 1.00 0.00 C ATOM 330 ND1 HIS A 123 -13.984 -2.076 -2.583 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.712 -3.840 -3.840 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.345 -3.126 -1.867 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.189 -4.208 -2.607 1.00 0.00 N ATOM 0 H HIS A 123 -10.996 -3.131 -3.910 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.300 -0.973 -5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.546 -0.569 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.462 -1.896 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.486 -4.502 -4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.706 -3.103 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.390 -5.163 -2.310 1.00 0.00 H new ATOM 341 N LEU A 124 -11.464 0.799 -3.948 1.00 0.00 N ATOM 342 CA LEU A 124 -11.073 1.791 -2.953 1.00 0.00 C ATOM 343 C LEU A 124 -11.464 1.340 -1.550 1.00 0.00 C ATOM 344 O LEU A 124 -10.660 1.403 -0.621 1.00 0.00 O ATOM 345 CB LEU A 124 -11.724 3.140 -3.266 1.00 0.00 C ATOM 346 CG LEU A 124 -11.488 4.253 -2.244 1.00 0.00 C ATOM 347 CD1 LEU A 124 -10.076 4.804 -2.372 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.514 5.363 -2.419 1.00 0.00 C ATOM 0 H LEU A 124 -12.025 1.170 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.989 1.899 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.359 3.481 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.799 2.988 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.603 3.834 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.926 5.595 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.356 4.005 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.933 5.208 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.331 6.147 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.431 5.780 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.516 4.958 -2.276 1.00 0.00 H new ATOM 360 N GLN A 125 -12.703 0.881 -1.406 1.00 0.00 N ATOM 361 CA GLN A 125 -13.199 0.416 -0.116 1.00 0.00 C ATOM 362 C GLN A 125 -12.346 -0.730 0.415 1.00 0.00 C ATOM 363 O GLN A 125 -12.120 -0.842 1.620 1.00 0.00 O ATOM 364 CB GLN A 125 -14.657 -0.032 -0.237 1.00 0.00 C ATOM 365 CG GLN A 125 -15.463 0.165 1.036 1.00 0.00 C ATOM 366 CD GLN A 125 -15.191 1.502 1.697 1.00 0.00 C ATOM 367 OE1 GLN A 125 -15.079 2.528 1.026 1.00 0.00 O ATOM 368 NE2 GLN A 125 -15.083 1.497 3.021 1.00 0.00 N ATOM 0 H GLN A 125 -13.381 0.821 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.138 1.246 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.132 0.522 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.682 -1.086 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -16.525 0.088 0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.230 -0.637 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -15.183 0.623 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -14.900 2.367 3.521 1.00 0.00 H new ATOM 377 N ALA A 126 -11.875 -1.580 -0.491 1.00 0.00 N ATOM 378 CA ALA A 126 -11.043 -2.716 -0.114 1.00 0.00 C ATOM 379 C ALA A 126 -9.659 -2.261 0.334 1.00 0.00 C ATOM 380 O ALA A 126 -9.140 -2.726 1.348 1.00 0.00 O ATOM 381 CB ALA A 126 -10.930 -3.695 -1.273 1.00 0.00 C ATOM 0 H ALA A 126 -12.055 -1.503 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.520 -3.219 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.306 -4.538 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.923 -4.055 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.480 -3.194 -2.130 1.00 0.00 H new ATOM 387 N ALA A 127 -9.066 -1.349 -0.429 1.00 0.00 N ATOM 388 CA ALA A 127 -7.742 -0.829 -0.110 1.00 0.00 C ATOM 389 C ALA A 127 -7.758 -0.058 1.204 1.00 0.00 C ATOM 390 O ALA A 127 -6.857 -0.201 2.031 1.00 0.00 O ATOM 391 CB ALA A 127 -7.237 0.057 -1.239 1.00 0.00 C ATOM 0 H ALA A 127 -9.482 -0.955 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.064 -1.675 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.247 0.438 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.179 -0.524 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.923 0.892 -1.380 1.00 0.00 H new ATOM 397 N VAL A 128 -8.786 0.763 1.391 1.00 0.00 N ATOM 398 CA VAL A 128 -8.919 1.559 2.606 1.00 0.00 C ATOM 399 C VAL A 128 -9.125 0.668 3.826 1.00 0.00 C ATOM 400 O VAL A 128 -8.501 0.869 4.867 1.00 0.00 O ATOM 401 CB VAL A 128 -10.096 2.548 2.503 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.252 3.329 3.799 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.896 3.491 1.325 1.00 0.00 C ATOM 0 H VAL A 128 -9.540 0.895 0.716 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.991 2.120 2.720 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.012 1.981 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.088 4.022 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.442 2.638 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.338 3.887 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.736 4.183 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.972 4.053 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.837 2.913 0.403 1.00 0.00 H new ATOM 413 N ALA A 129 -10.005 -0.319 3.690 1.00 0.00 N ATOM 414 CA ALA A 129 -10.290 -1.243 4.780 1.00 0.00 C ATOM 415 C ALA A 129 -9.035 -1.998 5.204 1.00 0.00 C ATOM 416 O ALA A 129 -8.762 -2.149 6.394 1.00 0.00 O ATOM 417 CB ALA A 129 -11.384 -2.220 4.371 1.00 0.00 C ATOM 0 H ALA A 129 -10.532 -0.499 2.836 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.637 -0.662 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.587 -2.905 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.291 -1.668 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.058 -2.788 3.499 1.00 0.00 H new ATOM 423 N PHE A 130 -8.276 -2.472 4.222 1.00 0.00 N ATOM 424 CA PHE A 130 -7.051 -3.214 4.493 1.00 0.00 C ATOM 425 C PHE A 130 -6.059 -2.358 5.275 1.00 0.00 C ATOM 426 O PHE A 130 -5.420 -2.829 6.215 1.00 0.00 O ATOM 427 CB PHE A 130 -6.414 -3.685 3.183 1.00 0.00 C ATOM 428 CG PHE A 130 -7.190 -4.772 2.496 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.607 -5.892 3.196 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.502 -4.672 1.150 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.323 -6.894 2.567 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.218 -5.671 0.516 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.626 -6.783 1.225 1.00 0.00 C ATOM 0 H PHE A 130 -8.488 -2.355 3.231 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.309 -4.084 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.320 -2.835 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.405 -4.043 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.370 -5.984 4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.183 -3.805 0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.644 -7.761 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.458 -5.581 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 130 -9.182 -7.566 0.730 1.00 0.00 H new ATOM 443 N VAL A 131 -5.934 -1.095 4.877 1.00 0.00 N ATOM 444 CA VAL A 131 -5.021 -0.171 5.540 1.00 0.00 C ATOM 445 C VAL A 131 -5.369 -0.019 7.016 1.00 0.00 C ATOM 446 O VAL A 131 -4.514 -0.183 7.885 1.00 0.00 O ATOM 447 CB VAL A 131 -5.044 1.216 4.873 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.041 2.146 5.538 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.763 1.095 3.382 1.00 0.00 C ATOM 0 H VAL A 131 -6.454 -0.689 4.099 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.021 -0.594 5.447 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.039 1.643 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.072 3.121 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.292 2.257 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.039 1.727 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.783 2.085 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.781 0.646 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.523 0.467 2.918 1.00 0.00 H new ATOM 459 N GLU A 132 -6.631 0.297 7.292 1.00 0.00 N ATOM 460 CA GLU A 132 -7.092 0.472 8.664 1.00 0.00 C ATOM 461 C GLU A 132 -7.041 -0.848 9.428 1.00 0.00 C ATOM 462 O GLU A 132 -6.946 -0.863 10.655 1.00 0.00 O ATOM 463 CB GLU A 132 -8.518 1.028 8.680 1.00 0.00 C ATOM 464 CG GLU A 132 -8.582 2.542 8.573 1.00 0.00 C ATOM 465 CD GLU A 132 -8.530 3.224 9.926 1.00 0.00 C ATOM 466 OE1 GLU A 132 -9.591 3.328 10.578 1.00 0.00 O ATOM 467 OE2 GLU A 132 -7.431 3.655 10.332 1.00 0.00 O ATOM 0 H GLU A 132 -7.352 0.437 6.584 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.427 1.182 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.079 0.590 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.010 0.716 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.752 2.895 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.501 2.828 8.061 1.00 0.00 H new ATOM 474 N GLN A 133 -7.105 -1.954 8.692 1.00 0.00 N ATOM 475 CA GLN A 133 -7.067 -3.278 9.300 1.00 0.00 C ATOM 476 C GLN A 133 -5.629 -3.724 9.545 1.00 0.00 C ATOM 477 O GLN A 133 -5.373 -4.890 9.844 1.00 0.00 O ATOM 478 CB GLN A 133 -7.784 -4.293 8.408 1.00 0.00 C ATOM 479 CG GLN A 133 -9.286 -4.350 8.636 1.00 0.00 C ATOM 480 CD GLN A 133 -9.939 -5.524 7.934 1.00 0.00 C ATOM 481 OE1 GLN A 133 -9.369 -6.613 7.862 1.00 0.00 O ATOM 482 NE2 GLN A 133 -11.141 -5.308 7.412 1.00 0.00 N ATOM 0 H GLN A 133 -7.183 -1.959 7.675 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.579 -3.224 10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.593 -4.046 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.360 -5.282 8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.485 -4.415 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.739 -3.423 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.576 -4.389 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.629 -6.061 6.928 1.00 0.00 H new ATOM 491 N GLY A 134 -4.694 -2.788 9.415 1.00 0.00 N ATOM 492 CA GLY A 134 -3.293 -3.105 9.624 1.00 0.00 C ATOM 493 C GLY A 134 -2.859 -4.343 8.865 1.00 0.00 C ATOM 494 O GLY A 134 -2.125 -5.179 9.394 1.00 0.00 O ATOM 0 H GLY A 134 -4.881 -1.816 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.682 -2.258 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.112 -3.253 10.689 1.00 0.00 H new ATOM 498 N HIS A 135 -3.315 -4.465 7.622 1.00 0.00 N ATOM 499 CA HIS A 135 -2.970 -5.611 6.790 1.00 0.00 C ATOM 500 C HIS A 135 -1.787 -5.288 5.882 1.00 0.00 C ATOM 501 O HIS A 135 -1.038 -6.178 5.480 1.00 0.00 O ATOM 502 CB HIS A 135 -4.172 -6.037 5.947 1.00 0.00 C ATOM 503 CG HIS A 135 -5.138 -6.916 6.682 1.00 0.00 C ATOM 504 ND1 HIS A 135 -4.753 -8.047 7.370 1.00 0.00 N ATOM 505 CD2 HIS A 135 -6.480 -6.822 6.836 1.00 0.00 C ATOM 506 CE1 HIS A 135 -5.816 -8.613 7.913 1.00 0.00 C ATOM 507 NE2 HIS A 135 -6.877 -7.888 7.605 1.00 0.00 N ATOM 0 H HIS A 135 -3.924 -3.784 7.169 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.687 -6.433 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.696 -5.146 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.816 -6.563 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.119 -6.052 6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -5.818 -9.515 8.507 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -7.835 -8.088 7.892 1.00 0.00 H new ATOM 515 N VAL A 136 -1.626 -4.007 5.562 1.00 0.00 N ATOM 516 CA VAL A 136 -0.535 -3.566 4.703 1.00 0.00 C ATOM 517 C VAL A 136 0.426 -2.654 5.458 1.00 0.00 C ATOM 518 O VAL A 136 0.003 -1.734 6.159 1.00 0.00 O ATOM 519 CB VAL A 136 -1.063 -2.820 3.462 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.073 -2.512 2.499 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.149 -3.635 2.776 1.00 0.00 C ATOM 0 H VAL A 136 -2.238 -3.258 5.885 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.005 -4.462 4.382 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.498 -1.874 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.320 -1.985 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.814 -1.887 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.541 -3.443 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.512 -3.095 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.741 -4.597 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.974 -3.798 3.469 1.00 0.00 H new ATOM 531 N ARG A 137 1.721 -2.916 5.311 1.00 0.00 N ATOM 532 CA ARG A 137 2.742 -2.120 5.980 1.00 0.00 C ATOM 533 C ARG A 137 3.716 -1.523 4.969 1.00 0.00 C ATOM 534 O ARG A 137 3.905 -2.065 3.879 1.00 0.00 O ATOM 535 CB ARG A 137 3.504 -2.976 6.994 1.00 0.00 C ATOM 536 CG ARG A 137 4.451 -3.978 6.354 1.00 0.00 C ATOM 537 CD ARG A 137 5.641 -4.273 7.254 1.00 0.00 C ATOM 538 NE ARG A 137 5.231 -4.834 8.538 1.00 0.00 N ATOM 539 CZ ARG A 137 6.086 -5.261 9.461 1.00 0.00 C ATOM 540 NH1 ARG A 137 7.391 -5.189 9.243 1.00 0.00 N ATOM 541 NH2 ARG A 137 5.634 -5.760 10.605 1.00 0.00 N ATOM 0 H ARG A 137 2.087 -3.673 4.734 1.00 0.00 H new ATOM 0 HA ARG A 137 2.244 -1.304 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.073 -2.322 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.787 -3.512 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.915 -4.903 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.803 -3.589 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.311 -4.970 6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.204 -3.355 7.423 1.00 0.00 H new ATOM 0 HE ARG A 137 4.233 -4.902 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.741 -4.805 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.046 -5.517 9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 137 4.630 -5.816 10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.291 -6.088 11.313 1.00 0.00 H new ATOM 555 N VAL A 138 4.330 -0.404 5.336 1.00 0.00 N ATOM 556 CA VAL A 138 5.285 0.267 4.461 1.00 0.00 C ATOM 557 C VAL A 138 6.669 0.322 5.097 1.00 0.00 C ATOM 558 O VAL A 138 6.877 1.006 6.099 1.00 0.00 O ATOM 559 CB VAL A 138 4.829 1.700 4.126 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.762 2.333 3.106 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.395 1.697 3.618 1.00 0.00 C ATOM 0 H VAL A 138 4.184 0.058 6.234 1.00 0.00 H new ATOM 0 HA VAL A 138 5.334 -0.315 3.541 1.00 0.00 H new ATOM 0 HB VAL A 138 4.867 2.297 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.424 3.345 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.773 2.370 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.759 1.739 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.089 2.717 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.329 1.085 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.738 1.287 4.385 1.00 0.00 H new ATOM 571 N GLY A 139 7.615 -0.404 4.508 1.00 0.00 N ATOM 572 CA GLY A 139 8.968 -0.424 5.030 1.00 0.00 C ATOM 573 C GLY A 139 9.021 -0.838 6.487 1.00 0.00 C ATOM 574 O GLY A 139 8.199 -1.622 6.963 1.00 0.00 O ATOM 0 H GLY A 139 7.468 -0.979 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.572 -1.111 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.411 0.566 4.920 1.00 0.00 H new ATOM 578 N PRO A 140 10.009 -0.306 7.223 1.00 0.00 N ATOM 579 CA PRO A 140 10.190 -0.611 8.645 1.00 0.00 C ATOM 580 C PRO A 140 9.089 -0.009 9.512 1.00 0.00 C ATOM 581 O PRO A 140 9.123 -0.116 10.738 1.00 0.00 O ATOM 582 CB PRO A 140 11.541 0.029 8.976 1.00 0.00 C ATOM 583 CG PRO A 140 11.697 1.122 7.975 1.00 0.00 C ATOM 584 CD PRO A 140 11.025 0.635 6.722 1.00 0.00 C ATOM 0 HA PRO A 140 10.151 -1.683 8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.556 0.419 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.352 -0.696 8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.238 2.045 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.750 1.338 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.573 1.455 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.731 0.145 6.052 1.00 0.00 H new ATOM 592 N ASP A 141 8.113 0.621 8.868 1.00 0.00 N ATOM 593 CA ASP A 141 7.001 1.239 9.580 1.00 0.00 C ATOM 594 C ASP A 141 5.670 0.647 9.127 1.00 0.00 C ATOM 595 O ASP A 141 5.411 0.521 7.930 1.00 0.00 O ATOM 596 CB ASP A 141 7.003 2.752 9.358 1.00 0.00 C ATOM 597 CG ASP A 141 8.313 3.395 9.768 1.00 0.00 C ATOM 598 OD1 ASP A 141 8.534 3.572 10.984 1.00 0.00 O ATOM 599 OD2 ASP A 141 9.118 3.722 8.871 1.00 0.00 O ATOM 0 H ASP A 141 8.069 0.717 7.853 1.00 0.00 H new ATOM 0 HA ASP A 141 7.125 1.036 10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 141 6.812 2.962 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.188 3.201 9.926 1.00 0.00 H new ATOM 604 N VAL A 142 4.831 0.284 10.091 1.00 0.00 N ATOM 605 CA VAL A 142 3.526 -0.294 9.791 1.00 0.00 C ATOM 606 C VAL A 142 2.457 0.787 9.681 1.00 0.00 C ATOM 607 O VAL A 142 2.115 1.439 10.668 1.00 0.00 O ATOM 608 CB VAL A 142 3.103 -1.312 10.868 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.681 -1.792 10.619 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.071 -2.483 10.902 1.00 0.00 C ATOM 0 H VAL A 142 5.031 0.380 11.087 1.00 0.00 H new ATOM 0 HA VAL A 142 3.619 -0.806 8.833 1.00 0.00 H new ATOM 0 HB VAL A 142 3.130 -0.820 11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.399 -2.510 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.000 -0.942 10.649 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.624 -2.268 9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.757 -3.192 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.078 -2.978 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.073 -2.120 11.132 1.00 0.00 H new ATOM 620 N VAL A 143 1.932 0.972 8.474 1.00 0.00 N ATOM 621 CA VAL A 143 0.900 1.974 8.235 1.00 0.00 C ATOM 622 C VAL A 143 -0.484 1.429 8.571 1.00 0.00 C ATOM 623 O VAL A 143 -0.858 0.340 8.133 1.00 0.00 O ATOM 624 CB VAL A 143 0.910 2.452 6.770 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.224 3.433 6.521 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.253 3.075 6.423 1.00 0.00 C ATOM 0 H VAL A 143 2.204 0.441 7.647 1.00 0.00 H new ATOM 0 HA VAL A 143 1.122 2.819 8.887 1.00 0.00 H new ATOM 0 HB VAL A 143 0.759 1.588 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.201 3.760 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.178 2.947 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.108 4.297 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.243 3.407 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.437 3.929 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.043 2.336 6.560 1.00 0.00 H new ATOM 636 N THR A 144 -1.242 2.193 9.351 1.00 0.00 N ATOM 637 CA THR A 144 -2.585 1.787 9.747 1.00 0.00 C ATOM 638 C THR A 144 -3.618 2.829 9.336 1.00 0.00 C ATOM 639 O THR A 144 -4.696 2.914 9.923 1.00 0.00 O ATOM 640 CB THR A 144 -2.677 1.560 11.267 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.060 2.649 11.964 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.006 0.254 11.662 1.00 0.00 C ATOM 0 H THR A 144 -0.949 3.097 9.721 1.00 0.00 H new ATOM 0 HA THR A 144 -2.796 0.849 9.234 1.00 0.00 H new ATOM 0 HB THR A 144 -3.731 1.505 11.540 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.124 2.498 12.930 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.084 0.116 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.497 -0.576 11.154 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.955 0.284 11.375 1.00 0.00 H new ATOM 650 N ASP A 145 -3.282 3.621 8.323 1.00 0.00 N ATOM 651 CA ASP A 145 -4.182 4.658 7.832 1.00 0.00 C ATOM 652 C ASP A 145 -4.048 4.822 6.321 1.00 0.00 C ATOM 653 O ASP A 145 -2.948 4.844 5.769 1.00 0.00 O ATOM 654 CB ASP A 145 -3.892 5.987 8.530 1.00 0.00 C ATOM 655 CG ASP A 145 -5.098 6.906 8.549 1.00 0.00 C ATOM 656 OD1 ASP A 145 -6.070 6.593 9.268 1.00 0.00 O ATOM 657 OD2 ASP A 145 -5.070 7.938 7.845 1.00 0.00 O ATOM 0 H ASP A 145 -2.393 3.564 7.826 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.204 4.354 8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.570 5.794 9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.066 6.487 8.025 1.00 0.00 H new ATOM 662 N PRO A 146 -5.195 4.940 5.634 1.00 0.00 N ATOM 663 CA PRO A 146 -5.232 5.104 4.178 1.00 0.00 C ATOM 664 C PRO A 146 -4.712 6.467 3.735 1.00 0.00 C ATOM 665 O PRO A 146 -4.079 6.590 2.687 1.00 0.00 O ATOM 666 CB PRO A 146 -6.719 4.964 3.843 1.00 0.00 C ATOM 667 CG PRO A 146 -7.428 5.360 5.093 1.00 0.00 C ATOM 668 CD PRO A 146 -6.542 4.922 6.227 1.00 0.00 C ATOM 0 HA PRO A 146 -4.597 4.379 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.999 5.607 3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.965 3.942 3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.596 6.437 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.406 4.883 5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.615 5.599 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.810 3.928 6.586 1.00 0.00 H new ATOM 676 N ALA A 147 -4.985 7.490 4.540 1.00 0.00 N ATOM 677 CA ALA A 147 -4.542 8.843 4.231 1.00 0.00 C ATOM 678 C ALA A 147 -3.020 8.927 4.188 1.00 0.00 C ATOM 679 O ALA A 147 -2.456 9.953 3.806 1.00 0.00 O ATOM 680 CB ALA A 147 -5.098 9.825 5.252 1.00 0.00 C ATOM 0 H ALA A 147 -5.511 7.406 5.410 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.922 9.107 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.760 10.832 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.187 9.793 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.746 9.553 6.247 1.00 0.00 H new ATOM 686 N PHE A 148 -2.361 7.843 4.582 1.00 0.00 N ATOM 687 CA PHE A 148 -0.904 7.795 4.590 1.00 0.00 C ATOM 688 C PHE A 148 -0.342 8.114 3.208 1.00 0.00 C ATOM 689 O PHE A 148 -0.732 7.505 2.211 1.00 0.00 O ATOM 690 CB PHE A 148 -0.420 6.415 5.044 1.00 0.00 C ATOM 691 CG PHE A 148 1.071 6.252 4.980 1.00 0.00 C ATOM 692 CD1 PHE A 148 1.892 6.911 5.882 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.653 5.442 4.020 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.265 6.762 5.826 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.026 5.290 3.958 1.00 0.00 C ATOM 696 CZ PHE A 148 3.832 5.951 4.863 1.00 0.00 C ATOM 0 H PHE A 148 -2.813 6.986 4.900 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.544 8.547 5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.753 6.241 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.888 5.652 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.454 7.548 6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.027 4.922 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 148 3.894 7.280 6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.467 4.656 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.905 5.834 4.818 1.00 0.00 H new ATOM 706 N LEU A 149 0.576 9.072 3.157 1.00 0.00 N ATOM 707 CA LEU A 149 1.194 9.475 1.897 1.00 0.00 C ATOM 708 C LEU A 149 2.379 8.576 1.560 1.00 0.00 C ATOM 709 O LEU A 149 3.169 8.219 2.434 1.00 0.00 O ATOM 710 CB LEU A 149 1.650 10.932 1.972 1.00 0.00 C ATOM 711 CG LEU A 149 0.540 11.985 1.953 1.00 0.00 C ATOM 712 CD1 LEU A 149 1.117 13.363 1.669 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.519 11.625 0.921 1.00 0.00 C ATOM 0 H LEU A 149 0.910 9.585 3.973 1.00 0.00 H new ATOM 0 HA LEU A 149 0.449 9.375 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.232 11.063 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.321 11.125 1.135 1.00 0.00 H new ATOM 0 HG LEU A 149 0.069 12.006 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.313 14.099 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.837 13.623 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.615 13.356 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.301 12.385 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.062 11.575 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.954 10.657 1.169 1.00 0.00 H new ATOM 725 N VAL A 150 2.497 8.215 0.286 1.00 0.00 N ATOM 726 CA VAL A 150 3.589 7.360 -0.168 1.00 0.00 C ATOM 727 C VAL A 150 4.308 7.976 -1.363 1.00 0.00 C ATOM 728 O VAL A 150 3.679 8.363 -2.349 1.00 0.00 O ATOM 729 CB VAL A 150 3.080 5.959 -0.554 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.223 5.102 -1.079 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.404 5.291 0.634 1.00 0.00 C ATOM 0 H VAL A 150 1.851 8.501 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 150 4.287 7.268 0.664 1.00 0.00 H new ATOM 0 HB VAL A 150 2.342 6.066 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 150 3.845 4.115 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.658 5.575 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 150 4.986 5.001 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.051 4.302 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.118 5.195 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.559 5.897 0.960 1.00 0.00 H new ATOM 741 N THR A 151 5.631 8.064 -1.270 1.00 0.00 N ATOM 742 CA THR A 151 6.437 8.633 -2.342 1.00 0.00 C ATOM 743 C THR A 151 6.938 7.547 -3.288 1.00 0.00 C ATOM 744 O THR A 151 6.972 6.368 -2.933 1.00 0.00 O ATOM 745 CB THR A 151 7.644 9.410 -1.786 1.00 0.00 C ATOM 746 OG1 THR A 151 8.500 8.527 -1.052 1.00 0.00 O ATOM 747 CG2 THR A 151 7.187 10.546 -0.884 1.00 0.00 C ATOM 0 H THR A 151 6.167 7.748 -0.462 1.00 0.00 H new ATOM 0 HA THR A 151 5.793 9.321 -2.890 1.00 0.00 H new ATOM 0 HB THR A 151 8.194 9.833 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.266 9.029 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 151 8.057 11.081 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 151 6.560 11.232 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 151 6.616 10.140 -0.049 1.00 0.00 H new ATOM 755 N ARG A 152 7.328 7.952 -4.492 1.00 0.00 N ATOM 756 CA ARG A 152 7.828 7.013 -5.490 1.00 0.00 C ATOM 757 C ARG A 152 8.805 6.023 -4.863 1.00 0.00 C ATOM 758 O ARG A 152 8.633 4.810 -4.974 1.00 0.00 O ATOM 759 CB ARG A 152 8.510 7.765 -6.633 1.00 0.00 C ATOM 760 CG ARG A 152 8.560 6.981 -7.934 1.00 0.00 C ATOM 761 CD ARG A 152 9.703 5.977 -7.935 1.00 0.00 C ATOM 762 NE ARG A 152 10.935 6.552 -8.466 1.00 0.00 N ATOM 763 CZ ARG A 152 11.100 6.891 -9.740 1.00 0.00 C ATOM 764 NH1 ARG A 152 10.114 6.714 -10.608 1.00 0.00 N ATOM 765 NH2 ARG A 152 12.252 7.408 -10.147 1.00 0.00 N ATOM 0 H ARG A 152 7.308 8.924 -4.800 1.00 0.00 H new ATOM 0 HA ARG A 152 6.979 6.457 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.983 8.704 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.526 8.020 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 152 7.615 6.458 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.678 7.669 -8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 152 9.876 5.624 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 152 9.422 5.108 -8.531 1.00 0.00 H new ATOM 0 HE ARG A 152 11.713 6.702 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 152 9.227 6.317 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.242 6.975 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 152 13.013 7.546 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 152 12.377 7.668 -11.125 1.00 0.00 H new ATOM 779 N SER A 153 9.832 6.551 -4.203 1.00 0.00 N ATOM 780 CA SER A 153 10.840 5.714 -3.561 1.00 0.00 C ATOM 781 C SER A 153 10.225 4.891 -2.434 1.00 0.00 C ATOM 782 O SER A 153 10.762 3.854 -2.044 1.00 0.00 O ATOM 783 CB SER A 153 11.978 6.578 -3.016 1.00 0.00 C ATOM 784 OG SER A 153 12.813 7.044 -4.062 1.00 0.00 O ATOM 0 H SER A 153 9.988 7.554 -4.099 1.00 0.00 H new ATOM 0 HA SER A 153 11.240 5.030 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.565 7.427 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 153 12.569 6.000 -2.305 1.00 0.00 H new ATOM 0 HG SER A 153 13.531 7.595 -3.686 1.00 0.00 H new ATOM 790 N MET A 154 9.096 5.360 -1.915 1.00 0.00 N ATOM 791 CA MET A 154 8.406 4.668 -0.833 1.00 0.00 C ATOM 792 C MET A 154 7.409 3.653 -1.384 1.00 0.00 C ATOM 793 O MET A 154 6.933 2.781 -0.659 1.00 0.00 O ATOM 794 CB MET A 154 7.684 5.673 0.067 1.00 0.00 C ATOM 795 CG MET A 154 7.452 5.166 1.481 1.00 0.00 C ATOM 796 SD MET A 154 8.813 5.565 2.594 1.00 0.00 S ATOM 797 CE MET A 154 9.359 3.926 3.064 1.00 0.00 C ATOM 0 H MET A 154 8.639 6.217 -2.226 1.00 0.00 H new ATOM 0 HA MET A 154 9.152 4.135 -0.244 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.267 6.593 0.111 1.00 0.00 H new ATOM 0 HB3 MET A 154 6.723 5.925 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.530 5.598 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 154 7.312 4.085 1.457 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.337 3.833 4.150 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.697 3.181 2.622 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.376 3.765 2.706 1.00 0.00 H new ATOM 807 N GLU A 155 7.098 3.776 -2.672 1.00 0.00 N ATOM 808 CA GLU A 155 6.157 2.869 -3.318 1.00 0.00 C ATOM 809 C GLU A 155 6.768 1.482 -3.490 1.00 0.00 C ATOM 810 O GLU A 155 6.052 0.489 -3.631 1.00 0.00 O ATOM 811 CB GLU A 155 5.734 3.424 -4.679 1.00 0.00 C ATOM 812 CG GLU A 155 4.793 4.615 -4.586 1.00 0.00 C ATOM 813 CD GLU A 155 4.290 5.068 -5.943 1.00 0.00 C ATOM 814 OE1 GLU A 155 5.106 5.579 -6.737 1.00 0.00 O ATOM 815 OE2 GLU A 155 3.080 4.912 -6.210 1.00 0.00 O ATOM 0 H GLU A 155 7.483 4.493 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 155 5.278 2.783 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.624 3.718 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.249 2.632 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 155 3.943 4.353 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.308 5.443 -4.098 1.00 0.00 H new ATOM 822 N ASP A 156 8.095 1.421 -3.477 1.00 0.00 N ATOM 823 CA ASP A 156 8.804 0.156 -3.631 1.00 0.00 C ATOM 824 C ASP A 156 8.966 -0.543 -2.285 1.00 0.00 C ATOM 825 O ASP A 156 9.281 -1.732 -2.225 1.00 0.00 O ATOM 826 CB ASP A 156 10.175 0.388 -4.268 1.00 0.00 C ATOM 827 CG ASP A 156 10.077 1.065 -5.621 1.00 0.00 C ATOM 828 OD1 ASP A 156 9.589 2.214 -5.676 1.00 0.00 O ATOM 829 OD2 ASP A 156 10.490 0.447 -6.625 1.00 0.00 O ATOM 0 H ASP A 156 8.702 2.233 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 156 8.213 -0.486 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.783 1.000 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.687 -0.568 -4.379 1.00 0.00 H new ATOM 834 N PHE A 157 8.752 0.204 -1.207 1.00 0.00 N ATOM 835 CA PHE A 157 8.877 -0.344 0.139 1.00 0.00 C ATOM 836 C PHE A 157 7.514 -0.753 0.689 1.00 0.00 C ATOM 837 O PHE A 157 7.274 -0.692 1.895 1.00 0.00 O ATOM 838 CB PHE A 157 9.528 0.681 1.071 1.00 0.00 C ATOM 839 CG PHE A 157 10.978 0.933 0.766 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.902 -0.098 0.830 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.415 2.199 0.415 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.236 0.131 0.550 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.748 2.434 0.133 1.00 0.00 C ATOM 844 CZ PHE A 157 13.659 1.398 0.200 1.00 0.00 C ATOM 0 H PHE A 157 8.491 1.190 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 157 9.509 -1.231 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 157 8.982 1.622 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.436 0.334 2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.576 -1.091 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.706 3.012 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.947 -0.680 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.076 3.426 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.701 1.579 -0.021 1.00 0.00 H new ATOM 854 N VAL A 158 6.623 -1.170 -0.205 1.00 0.00 N ATOM 855 CA VAL A 158 5.284 -1.590 0.189 1.00 0.00 C ATOM 856 C VAL A 158 5.157 -3.109 0.168 1.00 0.00 C ATOM 857 O VAL A 158 5.357 -3.748 -0.866 1.00 0.00 O ATOM 858 CB VAL A 158 4.211 -0.983 -0.735 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.818 -1.267 -0.195 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.434 0.513 -0.899 1.00 0.00 C ATOM 0 H VAL A 158 6.805 -1.226 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 158 5.124 -1.229 1.205 1.00 0.00 H new ATOM 0 HB VAL A 158 4.296 -1.449 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 158 2.074 -0.831 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.664 -2.344 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.717 -0.830 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.667 0.925 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 158 4.378 0.998 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.417 0.689 -1.335 1.00 0.00 H new ATOM 870 N THR A 159 4.821 -3.685 1.319 1.00 0.00 N ATOM 871 CA THR A 159 4.667 -5.130 1.434 1.00 0.00 C ATOM 872 C THR A 159 3.503 -5.487 2.352 1.00 0.00 C ATOM 873 O THR A 159 3.095 -4.686 3.192 1.00 0.00 O ATOM 874 CB THR A 159 5.952 -5.791 1.971 1.00 0.00 C ATOM 875 OG1 THR A 159 5.719 -7.181 2.222 1.00 0.00 O ATOM 876 CG2 THR A 159 6.417 -5.110 3.249 1.00 0.00 C ATOM 0 H THR A 159 4.650 -3.172 2.184 1.00 0.00 H new ATOM 0 HA THR A 159 4.465 -5.508 0.432 1.00 0.00 H new ATOM 0 HB THR A 159 6.732 -5.684 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.540 -7.594 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.325 -5.593 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.621 -4.058 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.638 -5.189 4.008 1.00 0.00 H new ATOM 884 N TRP A 160 2.975 -6.693 2.186 1.00 0.00 N ATOM 885 CA TRP A 160 1.857 -7.157 3.000 1.00 0.00 C ATOM 886 C TRP A 160 2.350 -7.732 4.325 1.00 0.00 C ATOM 887 O TRP A 160 3.361 -8.433 4.369 1.00 0.00 O ATOM 888 CB TRP A 160 1.048 -8.210 2.243 1.00 0.00 C ATOM 889 CG TRP A 160 0.244 -7.642 1.113 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.629 -7.531 -0.192 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.082 -7.106 1.190 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.377 -6.957 -0.932 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.437 -6.689 -0.108 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.002 -6.939 2.227 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.674 -6.114 -0.392 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.229 -6.369 1.944 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.557 -5.963 0.643 1.00 0.00 C ATOM 0 H TRP A 160 3.302 -7.368 1.495 1.00 0.00 H new ATOM 0 HA TRP A 160 1.216 -6.301 3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.727 -8.967 1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.377 -8.713 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.584 -7.848 -0.585 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.340 -6.762 -1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.759 -7.250 3.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.927 -5.799 -1.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -3.947 -6.234 2.739 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.525 -5.523 0.454 1.00 0.00 H new ATOM 908 N VAL A 161 1.631 -7.431 5.400 1.00 0.00 N ATOM 909 CA VAL A 161 1.995 -7.920 6.724 1.00 0.00 C ATOM 910 C VAL A 161 2.167 -9.435 6.723 1.00 0.00 C ATOM 911 O VAL A 161 3.187 -9.955 7.177 1.00 0.00 O ATOM 912 CB VAL A 161 0.936 -7.536 7.776 1.00 0.00 C ATOM 913 CG1 VAL A 161 1.283 -8.138 9.129 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.807 -6.024 7.873 1.00 0.00 C ATOM 0 H VAL A 161 0.792 -6.851 5.381 1.00 0.00 H new ATOM 0 HA VAL A 161 2.943 -7.449 6.985 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.026 -7.941 7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.524 -7.856 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.320 -9.224 9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.255 -7.766 9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 161 0.055 -5.770 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.766 -5.595 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.507 -5.622 6.905 1.00 0.00 H new