USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 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 149 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 152 CYS SG : rot 94:sc= 0.592 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000737 USER MOD Single : A 109 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -1.07 K(o=-1.1,f=-4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 1.29 K(o=1.3,f=-7.6!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot 100:sc= -0.587 USER MOD Single : A 132 ASN : amide:sc= 0.0091 K(o=0.0091,f=-2.2!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.086) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -130:sc= -0.584 (180deg=-2.82!) USER MOD Single : A 156 TYR OH : rot 10:sc= 0.512 USER MOD Single : A 157 MET CE :methyl -164:sc= 0 (180deg=-0.23) USER MOD Single : A 161 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.464 11.172 -11.055 1.00 0.00 N ATOM 101 CA MET A 103 60.069 10.794 -9.703 1.00 0.00 C ATOM 102 C MET A 103 61.285 10.378 -8.881 1.00 0.00 C ATOM 103 O MET A 103 61.436 10.783 -7.728 1.00 0.00 O ATOM 104 CB MET A 103 59.065 9.640 -9.755 1.00 0.00 C ATOM 105 CG MET A 103 57.737 10.144 -10.323 1.00 0.00 C ATOM 106 SD MET A 103 56.527 8.797 -10.312 1.00 0.00 S ATOM 107 CE MET A 103 55.185 9.692 -11.132 1.00 0.00 C ATOM 0 HA MET A 103 59.605 11.658 -9.228 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.455 8.833 -10.375 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.914 9.230 -8.756 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.370 10.982 -9.730 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.880 10.511 -11.339 1.00 0.00 H new ATOM 0 HE1 MET A 103 54.319 9.038 -11.232 1.00 0.00 H new ATOM 0 HE2 MET A 103 54.914 10.565 -10.538 1.00 0.00 H new ATOM 0 HE3 MET A 103 55.513 10.013 -12.121 1.00 0.00 H new ATOM 117 N LEU A 104 62.166 9.590 -9.488 1.00 0.00 N ATOM 118 CA LEU A 104 63.363 9.123 -8.798 1.00 0.00 C ATOM 119 C LEU A 104 64.179 10.300 -8.270 1.00 0.00 C ATOM 120 O LEU A 104 64.547 10.337 -7.096 1.00 0.00 O ATOM 121 CB LEU A 104 64.232 8.295 -9.749 1.00 0.00 C ATOM 122 CG LEU A 104 63.452 7.070 -10.235 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.266 6.340 -11.306 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.201 6.124 -9.058 1.00 0.00 C ATOM 0 H LEU A 104 62.075 9.263 -10.450 1.00 0.00 H new ATOM 0 HA LEU A 104 63.047 8.505 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.537 8.904 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.143 7.979 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 104 62.499 7.391 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.712 5.468 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.448 7.011 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.219 6.020 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.646 5.252 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.155 5.804 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.623 6.641 -8.292 1.00 0.00 H new ATOM 136 N ALA A 105 64.436 11.275 -9.135 1.00 0.00 N ATOM 137 CA ALA A 105 65.266 12.414 -8.759 1.00 0.00 C ATOM 138 C ALA A 105 64.674 13.160 -7.568 1.00 0.00 C ATOM 139 O ALA A 105 65.371 13.432 -6.592 1.00 0.00 O ATOM 140 CB ALA A 105 65.410 13.370 -9.943 1.00 0.00 C ATOM 0 H ALA A 105 64.085 11.301 -10.093 1.00 0.00 H new ATOM 0 HA ALA A 105 66.247 12.035 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 105 66.031 14.217 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.876 12.847 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.425 13.728 -10.243 1.00 0.00 H new ATOM 146 N THR A 106 63.384 13.475 -7.634 1.00 0.00 N ATOM 147 CA THR A 106 62.730 14.220 -6.558 1.00 0.00 C ATOM 148 C THR A 106 62.947 13.548 -5.203 1.00 0.00 C ATOM 149 O THR A 106 63.419 14.177 -4.254 1.00 0.00 O ATOM 150 CB THR A 106 61.230 14.327 -6.840 1.00 0.00 C ATOM 151 OG1 THR A 106 61.031 14.849 -8.146 1.00 0.00 O ATOM 152 CG2 THR A 106 60.581 15.255 -5.813 1.00 0.00 C ATOM 0 H THR A 106 62.773 13.230 -8.413 1.00 0.00 H new ATOM 0 HA THR A 106 63.173 15.215 -6.521 1.00 0.00 H new ATOM 0 HB THR A 106 60.776 13.339 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 106 60.071 14.916 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.513 15.331 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.734 14.853 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.034 16.244 -5.879 1.00 0.00 H new ATOM 160 N ARG A 107 62.624 12.263 -5.121 1.00 0.00 N ATOM 161 CA ARG A 107 62.770 11.529 -3.868 1.00 0.00 C ATOM 162 C ARG A 107 64.205 11.609 -3.351 1.00 0.00 C ATOM 163 O ARG A 107 64.428 11.850 -2.165 1.00 0.00 O ATOM 164 CB ARG A 107 62.370 10.067 -4.072 1.00 0.00 C ATOM 165 CG ARG A 107 60.911 9.996 -4.534 1.00 0.00 C ATOM 166 CD ARG A 107 59.982 10.334 -3.367 1.00 0.00 C ATOM 167 NE ARG A 107 58.588 10.088 -3.745 1.00 0.00 N ATOM 168 CZ ARG A 107 57.815 10.997 -4.360 1.00 0.00 C ATOM 169 NH1 ARG A 107 58.256 12.193 -4.672 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.585 10.681 -4.658 1.00 0.00 N ATOM 0 H ARG A 107 62.262 11.711 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 107 62.114 11.984 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 107 63.020 9.601 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.496 9.511 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.746 10.692 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.688 8.998 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.243 9.730 -2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.110 11.378 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 107 58.183 9.177 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 107 59.215 12.458 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.640 12.858 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.225 9.756 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.983 11.359 -5.125 1.00 0.00 H new ATOM 184 N GLU A 108 65.177 11.429 -4.243 1.00 0.00 N ATOM 185 CA GLU A 108 66.578 11.466 -3.838 1.00 0.00 C ATOM 186 C GLU A 108 66.925 12.820 -3.229 1.00 0.00 C ATOM 187 O GLU A 108 67.626 12.888 -2.222 1.00 0.00 O ATOM 188 CB GLU A 108 67.486 11.177 -5.039 1.00 0.00 C ATOM 189 CG GLU A 108 68.952 11.127 -4.583 1.00 0.00 C ATOM 190 CD GLU A 108 69.882 10.676 -5.714 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.457 10.650 -6.860 1.00 0.00 O ATOM 192 OE2 GLU A 108 71.020 10.357 -5.412 1.00 0.00 O ATOM 0 H GLU A 108 65.023 11.258 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 108 66.738 10.696 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.206 10.229 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.358 11.949 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.258 12.113 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.048 10.444 -3.739 1.00 0.00 H new ATOM 199 N GLN A 109 66.429 13.893 -3.833 1.00 0.00 N ATOM 200 CA GLN A 109 66.736 15.235 -3.353 1.00 0.00 C ATOM 201 C GLN A 109 66.299 15.394 -1.902 1.00 0.00 C ATOM 202 O GLN A 109 67.043 15.918 -1.074 1.00 0.00 O ATOM 203 CB GLN A 109 66.033 16.281 -4.221 1.00 0.00 C ATOM 204 CG GLN A 109 66.656 16.289 -5.618 1.00 0.00 C ATOM 205 CD GLN A 109 65.899 17.253 -6.528 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.732 17.559 -6.284 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.501 17.755 -7.572 1.00 0.00 N ATOM 0 H GLN A 109 65.818 13.862 -4.649 1.00 0.00 H new ATOM 0 HA GLN A 109 67.814 15.384 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.968 16.057 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 109 66.124 17.267 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.704 16.584 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.632 15.284 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.468 17.501 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 109 66.004 18.401 -8.186 1.00 0.00 H new ATOM 216 N GLU A 110 65.103 14.908 -1.593 1.00 0.00 N ATOM 217 CA GLU A 110 64.578 15.021 -0.236 1.00 0.00 C ATOM 218 C GLU A 110 65.482 14.290 0.750 1.00 0.00 C ATOM 219 O GLU A 110 65.850 14.831 1.791 1.00 0.00 O ATOM 220 CB GLU A 110 63.165 14.438 -0.170 1.00 0.00 C ATOM 221 CG GLU A 110 62.225 15.269 -1.049 1.00 0.00 C ATOM 222 CD GLU A 110 60.781 14.773 -0.944 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.574 13.636 -0.546 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.894 15.546 -1.268 1.00 0.00 O ATOM 0 H GLU A 110 64.484 14.437 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 110 64.545 16.077 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.172 13.401 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.809 14.436 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.275 16.316 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.555 15.218 -2.087 1.00 0.00 H new ATOM 231 N ALA A 111 65.859 13.065 0.403 1.00 0.00 N ATOM 232 CA ALA A 111 66.709 12.264 1.276 1.00 0.00 C ATOM 233 C ALA A 111 68.036 12.973 1.531 1.00 0.00 C ATOM 234 O ALA A 111 68.494 13.062 2.670 1.00 0.00 O ATOM 235 CB ALA A 111 66.973 10.899 0.637 1.00 0.00 C ATOM 0 H ALA A 111 65.592 12.608 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 111 66.195 12.128 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.609 10.306 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.027 10.380 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.472 11.037 -0.322 1.00 0.00 H new ATOM 241 N ASN A 112 68.642 13.484 0.467 1.00 0.00 N ATOM 242 CA ASN A 112 69.937 14.146 0.580 1.00 0.00 C ATOM 243 C ASN A 112 69.856 15.342 1.524 1.00 0.00 C ATOM 244 O ASN A 112 70.755 15.561 2.336 1.00 0.00 O ATOM 245 CB ASN A 112 70.408 14.613 -0.798 1.00 0.00 C ATOM 246 CG ASN A 112 70.762 13.408 -1.663 1.00 0.00 C ATOM 247 OD1 ASN A 112 70.034 12.415 -1.673 1.00 0.00 O ATOM 248 ND2 ASN A 112 71.842 13.436 -2.395 1.00 0.00 N ATOM 0 H ASN A 112 68.261 13.454 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 112 70.651 13.429 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 112 69.626 15.200 -1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 112 71.276 15.264 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 112 72.085 12.634 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 112 72.444 14.260 -2.385 1.00 0.00 H new ATOM 255 N LYS A 113 68.778 16.111 1.413 1.00 0.00 N ATOM 256 CA LYS A 113 68.601 17.280 2.266 1.00 0.00 C ATOM 257 C LYS A 113 68.589 16.859 3.730 1.00 0.00 C ATOM 258 O LYS A 113 69.257 17.461 4.571 1.00 0.00 O ATOM 259 CB LYS A 113 67.287 17.986 1.923 1.00 0.00 C ATOM 260 CG LYS A 113 67.181 19.287 2.720 1.00 0.00 C ATOM 261 CD LYS A 113 65.831 19.949 2.440 1.00 0.00 C ATOM 262 CE LYS A 113 65.784 21.322 3.114 1.00 0.00 C ATOM 263 NZ LYS A 113 64.768 22.175 2.435 1.00 0.00 N ATOM 0 H LYS A 113 68.021 15.949 0.748 1.00 0.00 H new ATOM 0 HA LYS A 113 69.430 17.967 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 113 67.244 18.198 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.442 17.337 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.283 19.082 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.992 19.961 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.682 20.055 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 113 65.022 19.321 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 113 65.535 21.212 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 113 66.764 21.797 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 64.736 23.108 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 65.024 22.289 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 63.834 21.723 2.504 1.00 0.00 H new ATOM 277 N ASP A 114 67.820 15.814 4.023 1.00 0.00 N ATOM 278 CA ASP A 114 67.756 15.262 5.373 1.00 0.00 C ATOM 279 C ASP A 114 68.119 13.781 5.354 1.00 0.00 C ATOM 280 O ASP A 114 67.340 12.944 4.897 1.00 0.00 O ATOM 281 CB ASP A 114 66.345 15.436 5.940 1.00 0.00 C ATOM 282 CG ASP A 114 66.338 15.126 7.433 1.00 0.00 C ATOM 283 OD1 ASP A 114 67.321 15.433 8.088 1.00 0.00 O ATOM 284 OD2 ASP A 114 65.347 14.589 7.902 1.00 0.00 O ATOM 0 H ASP A 114 67.232 15.332 3.343 1.00 0.00 H new ATOM 0 HA ASP A 114 68.468 15.795 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.000 16.456 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.652 14.775 5.420 1.00 0.00 H new ATOM 289 N LEU A 115 69.314 13.460 5.839 1.00 0.00 N ATOM 290 CA LEU A 115 69.760 12.068 5.883 1.00 0.00 C ATOM 291 C LEU A 115 69.456 11.385 7.223 1.00 0.00 C ATOM 292 O LEU A 115 69.589 10.166 7.328 1.00 0.00 O ATOM 293 CB LEU A 115 71.264 11.985 5.607 1.00 0.00 C ATOM 294 CG LEU A 115 71.557 12.364 4.152 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.069 12.502 3.958 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.031 11.272 3.216 1.00 0.00 C ATOM 0 H LEU A 115 69.986 14.135 6.204 1.00 0.00 H new ATOM 0 HA LEU A 115 69.201 11.540 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.802 12.653 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.622 10.975 5.807 1.00 0.00 H new ATOM 0 HG LEU A 115 71.065 13.309 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.280 12.772 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.451 13.278 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.554 11.554 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.242 11.546 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.522 10.327 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.955 11.165 3.351 1.00 0.00 H new ATOM 308 N THR A 116 69.071 12.148 8.247 1.00 0.00 N ATOM 309 CA THR A 116 68.807 11.570 9.565 1.00 0.00 C ATOM 310 C THR A 116 67.335 11.184 9.764 1.00 0.00 C ATOM 311 O THR A 116 66.911 10.950 10.895 1.00 0.00 O ATOM 312 CB THR A 116 69.213 12.569 10.651 1.00 0.00 C ATOM 313 OG1 THR A 116 68.445 13.756 10.511 1.00 0.00 O ATOM 314 CG2 THR A 116 70.700 12.901 10.514 1.00 0.00 C ATOM 0 H THR A 116 68.936 13.157 8.191 1.00 0.00 H new ATOM 0 HA THR A 116 69.396 10.656 9.636 1.00 0.00 H new ATOM 0 HB THR A 116 69.031 12.132 11.633 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.703 14.396 11.207 1.00 0.00 H new ATOM 0 HG21 THR A 116 70.987 13.613 11.288 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.288 11.990 10.623 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.886 13.338 9.533 1.00 0.00 H new ATOM 322 N SER A 117 66.553 11.115 8.685 1.00 0.00 N ATOM 323 CA SER A 117 65.147 10.730 8.789 1.00 0.00 C ATOM 324 C SER A 117 64.936 9.322 8.219 1.00 0.00 C ATOM 325 O SER A 117 64.724 9.186 7.013 1.00 0.00 O ATOM 326 CB SER A 117 64.289 11.722 8.002 1.00 0.00 C ATOM 327 OG SER A 117 62.974 11.200 7.869 1.00 0.00 O ATOM 0 H SER A 117 66.868 11.319 7.736 1.00 0.00 H new ATOM 0 HA SER A 117 64.858 10.737 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.261 12.684 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.725 11.897 7.018 1.00 0.00 H new ATOM 0 HG SER A 117 62.420 11.833 7.367 1.00 0.00 H new ATOM 333 N PRO A 118 64.951 8.282 9.030 1.00 0.00 N ATOM 334 CA PRO A 118 64.867 6.882 8.506 1.00 0.00 C ATOM 335 C PRO A 118 63.738 6.685 7.500 1.00 0.00 C ATOM 336 O PRO A 118 63.885 5.923 6.546 1.00 0.00 O ATOM 337 CB PRO A 118 64.637 6.024 9.750 1.00 0.00 C ATOM 338 CG PRO A 118 65.225 6.803 10.875 1.00 0.00 C ATOM 339 CD PRO A 118 65.073 8.277 10.503 1.00 0.00 C ATOM 0 HA PRO A 118 65.772 6.617 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.575 5.840 9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.117 5.051 9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.711 6.583 11.810 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.274 6.545 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.194 8.716 10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 118 65.934 8.859 10.831 1.00 0.00 H new ATOM 347 N ASP A 119 62.621 7.379 7.700 1.00 0.00 N ATOM 348 CA ASP A 119 61.488 7.247 6.789 1.00 0.00 C ATOM 349 C ASP A 119 61.897 7.615 5.366 1.00 0.00 C ATOM 350 O ASP A 119 61.738 6.820 4.437 1.00 0.00 O ATOM 351 CB ASP A 119 60.338 8.147 7.245 1.00 0.00 C ATOM 352 CG ASP A 119 59.809 7.678 8.597 1.00 0.00 C ATOM 353 OD1 ASP A 119 59.797 6.479 8.824 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.423 8.524 9.386 1.00 0.00 O ATOM 0 H ASP A 119 62.476 8.029 8.473 1.00 0.00 H new ATOM 0 HA ASP A 119 61.158 6.208 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.681 9.179 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.537 8.129 6.506 1.00 0.00 H new ATOM 359 N ALA A 120 62.448 8.814 5.200 1.00 0.00 N ATOM 360 CA ALA A 120 62.855 9.273 3.877 1.00 0.00 C ATOM 361 C ALA A 120 63.867 8.312 3.266 1.00 0.00 C ATOM 362 O ALA A 120 63.782 7.986 2.081 1.00 0.00 O ATOM 363 CB ALA A 120 63.460 10.675 3.959 1.00 0.00 C ATOM 0 H ALA A 120 62.621 9.478 5.955 1.00 0.00 H new ATOM 0 HA ALA A 120 61.970 9.306 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.758 11.001 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.721 11.367 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.333 10.657 4.611 1.00 0.00 H new ATOM 369 N GLN A 121 64.805 7.830 4.081 1.00 0.00 N ATOM 370 CA GLN A 121 65.830 6.920 3.571 1.00 0.00 C ATOM 371 C GLN A 121 65.170 5.673 2.998 1.00 0.00 C ATOM 372 O GLN A 121 65.450 5.281 1.868 1.00 0.00 O ATOM 373 CB GLN A 121 66.841 6.496 4.652 1.00 0.00 C ATOM 374 CG GLN A 121 67.253 7.651 5.582 1.00 0.00 C ATOM 375 CD GLN A 121 67.620 8.920 4.812 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.568 8.924 4.027 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.908 9.999 4.992 1.00 0.00 N ATOM 0 H GLN A 121 64.877 8.048 5.075 1.00 0.00 H new ATOM 0 HA GLN A 121 66.377 7.461 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.409 5.693 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.731 6.091 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.435 7.870 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.103 7.339 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.124 9.990 5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.136 10.852 4.481 1.00 0.00 H new ATOM 386 N ALA A 122 64.226 5.102 3.745 1.00 0.00 N ATOM 387 CA ALA A 122 63.584 3.854 3.339 1.00 0.00 C ATOM 388 C ALA A 122 62.995 3.987 1.942 1.00 0.00 C ATOM 389 O ALA A 122 63.225 3.144 1.076 1.00 0.00 O ATOM 390 CB ALA A 122 62.476 3.484 4.325 1.00 0.00 C ATOM 0 H ALA A 122 63.891 5.482 4.630 1.00 0.00 H new ATOM 0 HA ALA A 122 64.339 3.068 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.006 2.552 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 122 62.902 3.358 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.729 4.278 4.348 1.00 0.00 H new ATOM 396 N ALA A 123 62.284 5.084 1.715 1.00 0.00 N ATOM 397 CA ALA A 123 61.658 5.308 0.416 1.00 0.00 C ATOM 398 C ALA A 123 62.715 5.330 -0.684 1.00 0.00 C ATOM 399 O ALA A 123 62.549 4.706 -1.731 1.00 0.00 O ATOM 400 CB ALA A 123 60.888 6.630 0.421 1.00 0.00 C ATOM 0 H ALA A 123 62.127 5.823 2.401 1.00 0.00 H new ATOM 0 HA ALA A 123 60.962 4.492 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.426 6.785 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.115 6.598 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.574 7.450 0.632 1.00 0.00 H new ATOM 406 N PHE A 124 63.816 6.031 -0.432 1.00 0.00 N ATOM 407 CA PHE A 124 64.880 6.140 -1.424 1.00 0.00 C ATOM 408 C PHE A 124 65.432 4.763 -1.785 1.00 0.00 C ATOM 409 O PHE A 124 65.628 4.451 -2.958 1.00 0.00 O ATOM 410 CB PHE A 124 66.013 7.020 -0.895 1.00 0.00 C ATOM 411 CG PHE A 124 67.075 7.306 -1.931 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.703 7.700 -3.222 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.429 7.173 -1.603 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.685 7.961 -4.186 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.411 7.435 -2.567 1.00 0.00 C ATOM 416 CZ PHE A 124 69.039 7.828 -3.858 1.00 0.00 C ATOM 0 H PHE A 124 63.994 6.527 0.441 1.00 0.00 H new ATOM 0 HA PHE A 124 64.457 6.595 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.597 7.963 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.474 6.531 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.658 7.803 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.717 6.869 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.398 8.265 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.456 7.334 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.797 8.029 -4.601 1.00 0.00 H new ATOM 426 N TYR A 125 65.659 3.931 -0.773 1.00 0.00 N ATOM 427 CA TYR A 125 66.210 2.597 -1.002 1.00 0.00 C ATOM 428 C TYR A 125 65.309 1.813 -1.951 1.00 0.00 C ATOM 429 O TYR A 125 65.772 1.202 -2.915 1.00 0.00 O ATOM 430 CB TYR A 125 66.327 1.832 0.321 1.00 0.00 C ATOM 431 CG TYR A 125 67.428 2.311 1.245 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.765 1.995 0.980 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.106 3.061 2.381 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.775 2.432 1.852 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.110 3.500 3.251 1.00 0.00 C ATOM 436 CZ TYR A 125 69.447 3.187 2.989 1.00 0.00 C ATOM 437 OH TYR A 125 70.437 3.620 3.852 1.00 0.00 O ATOM 0 H TYR A 125 65.473 4.153 0.205 1.00 0.00 H new ATOM 0 HA TYR A 125 67.200 2.708 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.376 1.901 0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.493 0.778 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.020 1.415 0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.074 3.303 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.807 2.187 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.852 4.080 4.125 1.00 0.00 H new ATOM 0 HH TYR A 125 70.032 4.130 4.585 1.00 0.00 H new ATOM 447 N LYS A 126 64.009 1.863 -1.688 1.00 0.00 N ATOM 448 CA LYS A 126 63.044 1.129 -2.500 1.00 0.00 C ATOM 449 C LYS A 126 63.117 1.573 -3.954 1.00 0.00 C ATOM 450 O LYS A 126 63.142 0.747 -4.866 1.00 0.00 O ATOM 451 CB LYS A 126 61.633 1.368 -1.956 1.00 0.00 C ATOM 452 CG LYS A 126 61.521 0.818 -0.527 1.00 0.00 C ATOM 453 CD LYS A 126 60.088 0.366 -0.246 1.00 0.00 C ATOM 454 CE LYS A 126 60.001 -0.209 1.168 1.00 0.00 C ATOM 455 NZ LYS A 126 58.571 -0.357 1.559 1.00 0.00 N ATOM 0 H LYS A 126 63.599 2.400 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 126 63.281 0.066 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.408 2.434 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.899 0.883 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.206 -0.020 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.815 1.585 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.403 1.208 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.783 -0.385 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.502 -1.176 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.515 0.447 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.513 -0.748 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 58.106 0.573 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.094 -0.999 0.895 1.00 0.00 H new ATOM 469 N LEU A 127 63.174 2.882 -4.165 1.00 0.00 N ATOM 470 CA LEU A 127 63.211 3.422 -5.518 1.00 0.00 C ATOM 471 C LEU A 127 64.421 2.889 -6.275 1.00 0.00 C ATOM 472 O LEU A 127 64.308 2.466 -7.424 1.00 0.00 O ATOM 473 CB LEU A 127 63.269 4.949 -5.469 1.00 0.00 C ATOM 474 CG LEU A 127 62.011 5.486 -4.786 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.233 6.943 -4.383 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.829 5.401 -5.755 1.00 0.00 C ATOM 0 H LEU A 127 63.195 3.583 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 127 62.306 3.110 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.157 5.272 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.348 5.353 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 127 61.798 4.891 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.336 7.326 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.075 7.006 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.446 7.538 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.932 5.784 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.043 5.996 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.670 4.362 -6.045 1.00 0.00 H new ATOM 488 N LEU A 128 65.575 2.886 -5.615 1.00 0.00 N ATOM 489 CA LEU A 128 66.807 2.459 -6.269 1.00 0.00 C ATOM 490 C LEU A 128 66.705 1.009 -6.728 1.00 0.00 C ATOM 491 O LEU A 128 67.165 0.668 -7.817 1.00 0.00 O ATOM 492 CB LEU A 128 67.998 2.618 -5.320 1.00 0.00 C ATOM 493 CG LEU A 128 68.539 4.049 -5.394 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.433 4.322 -4.183 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.357 4.217 -6.678 1.00 0.00 C ATOM 0 H LEU A 128 65.683 3.170 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 128 66.959 3.091 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.693 2.388 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.783 1.910 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 128 67.706 4.752 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.817 5.341 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.853 4.201 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.266 3.619 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.743 5.235 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.189 3.513 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.722 4.023 -7.542 1.00 0.00 H new ATOM 507 N LEU A 129 66.116 0.153 -5.896 1.00 0.00 N ATOM 508 CA LEU A 129 65.976 -1.255 -6.257 1.00 0.00 C ATOM 509 C LEU A 129 65.073 -1.410 -7.476 1.00 0.00 C ATOM 510 O LEU A 129 65.423 -2.099 -8.434 1.00 0.00 O ATOM 511 CB LEU A 129 65.399 -2.051 -5.083 1.00 0.00 C ATOM 512 CG LEU A 129 66.525 -2.479 -4.138 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.934 -2.876 -2.786 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.266 -3.674 -4.740 1.00 0.00 C ATOM 0 H LEU A 129 65.734 0.403 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 129 66.965 -1.643 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.671 -1.444 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 129 64.870 -2.929 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 129 67.219 -1.650 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.736 -3.181 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.404 -2.026 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.240 -3.705 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.068 -3.980 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.571 -4.502 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.688 -3.392 -5.705 1.00 0.00 H new ATOM 526 N GLN A 130 63.941 -0.717 -7.469 1.00 0.00 N ATOM 527 CA GLN A 130 62.983 -0.828 -8.564 1.00 0.00 C ATOM 528 C GLN A 130 63.623 -0.429 -9.891 1.00 0.00 C ATOM 529 O GLN A 130 63.386 -1.063 -10.919 1.00 0.00 O ATOM 530 CB GLN A 130 61.773 0.067 -8.291 1.00 0.00 C ATOM 531 CG GLN A 130 61.029 -0.441 -7.054 1.00 0.00 C ATOM 532 CD GLN A 130 59.865 0.487 -6.718 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.868 1.658 -7.099 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.862 0.030 -6.020 1.00 0.00 N ATOM 0 H GLN A 130 63.664 -0.077 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 130 62.662 -1.868 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.097 1.096 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.107 0.069 -9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.658 -1.450 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.713 -0.498 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.860 -0.940 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.080 0.643 -5.790 1.00 0.00 H new ATOM 543 N SER A 131 64.434 0.624 -9.862 1.00 0.00 N ATOM 544 CA SER A 131 65.051 1.137 -11.084 1.00 0.00 C ATOM 545 C SER A 131 66.340 0.400 -11.466 1.00 0.00 C ATOM 546 O SER A 131 67.117 0.908 -12.275 1.00 0.00 O ATOM 547 CB SER A 131 65.354 2.626 -10.912 1.00 0.00 C ATOM 548 OG SER A 131 64.132 3.345 -10.824 1.00 0.00 O ATOM 0 H SER A 131 64.679 1.136 -9.015 1.00 0.00 H new ATOM 0 HA SER A 131 64.338 0.973 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 131 65.950 2.787 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.943 2.989 -11.754 1.00 0.00 H new ATOM 0 HG SER A 131 63.935 3.541 -9.884 1.00 0.00 H new ATOM 554 N ASN A 132 66.581 -0.781 -10.895 1.00 0.00 N ATOM 555 CA ASN A 132 67.748 -1.576 -11.264 1.00 0.00 C ATOM 556 C ASN A 132 69.040 -0.825 -10.946 1.00 0.00 C ATOM 557 O ASN A 132 69.932 -0.695 -11.786 1.00 0.00 O ATOM 558 CB ASN A 132 67.685 -1.935 -12.752 1.00 0.00 C ATOM 559 CG ASN A 132 66.376 -2.654 -13.063 1.00 0.00 C ATOM 560 OD1 ASN A 132 65.937 -3.507 -12.291 1.00 0.00 O ATOM 561 ND2 ASN A 132 65.724 -2.360 -14.154 1.00 0.00 N ATOM 0 H ASN A 132 65.988 -1.204 -10.181 1.00 0.00 H new ATOM 0 HA ASN A 132 67.742 -2.496 -10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.765 -1.031 -13.356 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.530 -2.571 -13.017 1.00 0.00 H new ATOM 0 HD21 ASN A 132 64.848 -2.837 -14.369 1.00 0.00 H new ATOM 0 HD22 ASN A 132 66.090 -1.653 -14.792 1.00 0.00 H new ATOM 568 N TYR A 133 69.139 -0.330 -9.714 1.00 0.00 N ATOM 569 CA TYR A 133 70.346 0.363 -9.264 1.00 0.00 C ATOM 570 C TYR A 133 70.915 -0.273 -7.981 1.00 0.00 C ATOM 571 O TYR A 133 71.307 0.441 -7.050 1.00 0.00 O ATOM 572 CB TYR A 133 70.005 1.836 -9.005 1.00 0.00 C ATOM 573 CG TYR A 133 69.883 2.673 -10.256 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.015 3.296 -10.792 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.637 2.836 -10.871 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.902 4.080 -11.947 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.522 3.622 -12.025 1.00 0.00 C ATOM 578 CZ TYR A 133 69.655 4.243 -12.563 1.00 0.00 C ATOM 579 OH TYR A 133 69.543 5.017 -13.700 1.00 0.00 O ATOM 0 H TYR A 133 68.402 -0.395 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 133 71.106 0.280 -10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.066 1.888 -8.454 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.775 2.268 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.976 3.172 -10.315 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.763 2.356 -10.456 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.776 4.559 -12.363 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.560 3.749 -12.499 1.00 0.00 H new ATOM 0 HH TYR A 133 68.610 5.025 -14.000 1.00 0.00 H new ATOM 589 N PRO A 134 71.070 -1.581 -7.930 1.00 0.00 N ATOM 590 CA PRO A 134 71.504 -2.260 -6.668 1.00 0.00 C ATOM 591 C PRO A 134 72.841 -1.721 -6.166 1.00 0.00 C ATOM 592 O PRO A 134 73.033 -1.527 -4.967 1.00 0.00 O ATOM 593 CB PRO A 134 71.600 -3.746 -7.030 1.00 0.00 C ATOM 594 CG PRO A 134 71.675 -3.795 -8.518 1.00 0.00 C ATOM 595 CD PRO A 134 70.942 -2.556 -9.030 1.00 0.00 C ATOM 0 HA PRO A 134 70.801 -2.083 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.481 -4.203 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.733 -4.295 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.712 -3.799 -8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.212 -4.705 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.390 -2.180 -9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 134 69.897 -2.774 -9.250 1.00 0.00 H new ATOM 603 N GLN A 135 73.759 -1.457 -7.091 1.00 0.00 N ATOM 604 CA GLN A 135 75.078 -0.952 -6.721 1.00 0.00 C ATOM 605 C GLN A 135 74.963 0.322 -5.885 1.00 0.00 C ATOM 606 O GLN A 135 75.705 0.511 -4.921 1.00 0.00 O ATOM 607 CB GLN A 135 75.901 -0.667 -7.979 1.00 0.00 C ATOM 608 CG GLN A 135 77.345 -0.350 -7.587 1.00 0.00 C ATOM 609 CD GLN A 135 78.071 -1.633 -7.194 1.00 0.00 C ATOM 610 OE1 GLN A 135 78.260 -2.520 -8.026 1.00 0.00 O ATOM 611 NE2 GLN A 135 78.494 -1.782 -5.968 1.00 0.00 N ATOM 0 H GLN A 135 73.617 -1.583 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 135 75.577 -1.715 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.875 -1.529 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.470 0.171 -8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.860 0.129 -8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 135 77.359 0.355 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 135 78.336 -1.045 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 135 78.983 -2.635 -5.697 1.00 0.00 H new ATOM 620 N TYR A 136 74.004 1.177 -6.230 1.00 0.00 N ATOM 621 CA TYR A 136 73.818 2.431 -5.508 1.00 0.00 C ATOM 622 C TYR A 136 73.314 2.150 -4.096 1.00 0.00 C ATOM 623 O TYR A 136 73.792 2.733 -3.125 1.00 0.00 O ATOM 624 CB TYR A 136 72.815 3.319 -6.250 1.00 0.00 C ATOM 625 CG TYR A 136 73.435 4.135 -7.359 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.342 3.541 -8.246 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.101 5.488 -7.501 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.915 4.299 -9.274 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.675 6.246 -8.529 1.00 0.00 C ATOM 630 CZ TYR A 136 74.581 5.652 -9.415 1.00 0.00 C ATOM 631 OH TYR A 136 75.146 6.399 -10.428 1.00 0.00 O ATOM 0 H TYR A 136 73.350 1.026 -6.998 1.00 0.00 H new ATOM 0 HA TYR A 136 74.775 2.949 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 136 72.027 2.692 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.341 3.993 -5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.599 2.498 -8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.401 5.946 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.614 3.841 -9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.418 7.289 -8.638 1.00 0.00 H new ATOM 0 HH TYR A 136 74.807 7.317 -10.385 1.00 0.00 H new ATOM 641 N VAL A 137 72.367 1.221 -3.990 1.00 0.00 N ATOM 642 CA VAL A 137 71.798 0.854 -2.695 1.00 0.00 C ATOM 643 C VAL A 137 72.904 0.435 -1.730 1.00 0.00 C ATOM 644 O VAL A 137 72.909 0.830 -0.567 1.00 0.00 O ATOM 645 CB VAL A 137 70.794 -0.294 -2.881 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.160 -0.689 -1.542 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.685 0.154 -3.833 1.00 0.00 C ATOM 0 H VAL A 137 71.978 0.710 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 137 71.282 1.717 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 137 71.327 -1.153 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.453 -1.503 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 137 70.939 -1.014 -0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.636 0.169 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 137 68.971 -0.658 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.174 1.021 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.118 0.419 -4.797 1.00 0.00 H new ATOM 657 N VAL A 138 73.854 -0.344 -2.232 1.00 0.00 N ATOM 658 CA VAL A 138 74.922 -0.863 -1.385 1.00 0.00 C ATOM 659 C VAL A 138 75.825 0.268 -0.901 1.00 0.00 C ATOM 660 O VAL A 138 76.028 0.440 0.299 1.00 0.00 O ATOM 661 CB VAL A 138 75.745 -1.909 -2.151 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.816 -2.516 -1.239 1.00 0.00 C ATOM 663 CG2 VAL A 138 74.825 -3.030 -2.645 1.00 0.00 C ATOM 0 H VAL A 138 73.908 -0.628 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 138 74.470 -1.338 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 138 76.225 -1.419 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.391 -3.256 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.482 -1.729 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.338 -2.996 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.413 -3.770 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.341 -3.506 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.066 -2.613 -3.307 1.00 0.00 H new ATOM 673 N SER A 139 76.339 1.061 -1.835 1.00 0.00 N ATOM 674 CA SER A 139 77.284 2.120 -1.487 1.00 0.00 C ATOM 675 C SER A 139 76.704 3.048 -0.422 1.00 0.00 C ATOM 676 O SER A 139 77.408 3.487 0.487 1.00 0.00 O ATOM 677 CB SER A 139 77.635 2.933 -2.734 1.00 0.00 C ATOM 678 OG SER A 139 78.690 3.832 -2.423 1.00 0.00 O ATOM 0 H SER A 139 76.121 0.994 -2.829 1.00 0.00 H new ATOM 0 HA SER A 139 78.183 1.652 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 139 77.935 2.268 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 139 76.761 3.485 -3.081 1.00 0.00 H new ATOM 0 HG SER A 139 78.920 4.355 -3.220 1.00 0.00 H new ATOM 684 N ARG A 140 75.414 3.341 -0.546 1.00 0.00 N ATOM 685 CA ARG A 140 74.745 4.246 0.381 1.00 0.00 C ATOM 686 C ARG A 140 74.527 3.597 1.744 1.00 0.00 C ATOM 687 O ARG A 140 74.900 4.168 2.767 1.00 0.00 O ATOM 688 CB ARG A 140 73.403 4.677 -0.214 1.00 0.00 C ATOM 689 CG ARG A 140 72.903 5.942 0.486 1.00 0.00 C ATOM 690 CD ARG A 140 71.692 6.485 -0.274 1.00 0.00 C ATOM 691 NE ARG A 140 71.221 7.733 0.334 1.00 0.00 N ATOM 692 CZ ARG A 140 70.281 7.785 1.290 1.00 0.00 C ATOM 693 NH1 ARG A 140 69.729 6.705 1.790 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.910 8.951 1.743 1.00 0.00 N ATOM 0 H ARG A 140 74.812 2.965 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 140 75.384 5.116 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.512 4.862 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.672 3.876 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.631 5.719 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.694 6.691 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.958 6.659 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.891 5.746 -0.269 1.00 0.00 H new ATOM 0 HE ARG A 140 71.630 8.610 0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 140 70.012 5.785 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 140 69.017 6.785 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 140 70.333 9.801 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 140 69.197 9.012 2.470 1.00 0.00 H new ATOM 708 N PHE A 141 73.959 2.395 1.760 1.00 0.00 N ATOM 709 CA PHE A 141 73.659 1.724 3.023 1.00 0.00 C ATOM 710 C PHE A 141 74.910 1.568 3.888 1.00 0.00 C ATOM 711 O PHE A 141 74.831 1.611 5.116 1.00 0.00 O ATOM 712 CB PHE A 141 73.052 0.348 2.745 1.00 0.00 C ATOM 713 CG PHE A 141 72.607 -0.374 3.994 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.333 -0.138 4.522 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.469 -1.280 4.624 1.00 0.00 C ATOM 716 CE1 PHE A 141 70.920 -0.807 5.681 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.057 -1.949 5.783 1.00 0.00 C ATOM 718 CZ PHE A 141 71.782 -1.712 6.312 1.00 0.00 C ATOM 0 H PHE A 141 73.699 1.870 0.925 1.00 0.00 H new ATOM 0 HA PHE A 141 72.946 2.341 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.198 0.464 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.785 -0.265 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.668 0.560 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.452 -1.463 4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 141 69.936 -0.625 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 141 73.722 -2.648 6.269 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.464 -2.227 7.206 1.00 0.00 H new ATOM 728 N GLU A 142 76.063 1.389 3.248 1.00 0.00 N ATOM 729 CA GLU A 142 77.312 1.166 3.974 1.00 0.00 C ATOM 730 C GLU A 142 77.902 2.445 4.581 1.00 0.00 C ATOM 731 O GLU A 142 78.881 2.364 5.322 1.00 0.00 O ATOM 732 CB GLU A 142 78.343 0.538 3.033 1.00 0.00 C ATOM 733 CG GLU A 142 77.865 -0.852 2.603 1.00 0.00 C ATOM 734 CD GLU A 142 78.905 -1.551 1.726 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.738 -0.871 1.145 1.00 0.00 O ATOM 736 OE2 GLU A 142 78.853 -2.767 1.647 1.00 0.00 O ATOM 0 H GLU A 142 76.159 1.394 2.233 1.00 0.00 H new ATOM 0 HA GLU A 142 77.076 0.499 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.485 1.172 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.309 0.463 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.664 -1.459 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 142 76.926 -0.763 2.057 1.00 0.00 H new ATOM 743 N THR A 143 77.338 3.616 4.274 1.00 0.00 N ATOM 744 CA THR A 143 77.827 4.864 4.854 1.00 0.00 C ATOM 745 C THR A 143 77.146 5.120 6.207 1.00 0.00 C ATOM 746 O THR A 143 75.978 5.509 6.218 1.00 0.00 O ATOM 747 CB THR A 143 77.500 6.023 3.909 1.00 0.00 C ATOM 748 OG1 THR A 143 78.016 5.736 2.617 1.00 0.00 O ATOM 749 CG2 THR A 143 78.132 7.310 4.440 1.00 0.00 C ATOM 0 H THR A 143 76.551 3.724 3.634 1.00 0.00 H new ATOM 0 HA THR A 143 78.905 4.789 4.999 1.00 0.00 H new ATOM 0 HB THR A 143 76.419 6.151 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.807 6.476 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.899 8.135 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.735 7.528 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.213 7.186 4.501 1.00 0.00 H new ATOM 757 N PRO A 144 77.816 4.963 7.333 1.00 0.00 N ATOM 758 CA PRO A 144 77.136 5.082 8.667 1.00 0.00 C ATOM 759 C PRO A 144 76.441 6.430 8.885 1.00 0.00 C ATOM 760 O PRO A 144 75.638 6.572 9.808 1.00 0.00 O ATOM 761 CB PRO A 144 78.256 4.881 9.696 1.00 0.00 C ATOM 762 CG PRO A 144 79.367 4.221 8.955 1.00 0.00 C ATOM 763 CD PRO A 144 79.258 4.709 7.514 1.00 0.00 C ATOM 0 HA PRO A 144 76.335 4.347 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.577 5.834 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 144 77.918 4.263 10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.333 4.485 9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.281 3.136 9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.846 5.612 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.623 3.961 6.810 1.00 0.00 H new ATOM 771 N GLY A 145 76.744 7.414 8.043 1.00 0.00 N ATOM 772 CA GLY A 145 76.177 8.751 8.204 1.00 0.00 C ATOM 773 C GLY A 145 74.678 8.803 7.893 1.00 0.00 C ATOM 774 O GLY A 145 73.976 9.687 8.382 1.00 0.00 O ATOM 0 H GLY A 145 77.374 7.313 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.343 9.090 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.703 9.445 7.549 1.00 0.00 H new ATOM 778 N ILE A 146 74.187 7.865 7.084 1.00 0.00 N ATOM 779 CA ILE A 146 72.789 7.885 6.665 1.00 0.00 C ATOM 780 C ILE A 146 71.960 6.938 7.531 1.00 0.00 C ATOM 781 O ILE A 146 72.414 5.858 7.905 1.00 0.00 O ATOM 782 CB ILE A 146 72.680 7.493 5.184 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.529 8.448 4.338 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.221 7.586 4.726 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.636 7.921 2.905 1.00 0.00 C ATOM 0 H ILE A 146 74.732 7.089 6.709 1.00 0.00 H new ATOM 0 HA ILE A 146 72.398 8.895 6.790 1.00 0.00 H new ATOM 0 HB ILE A 146 73.036 6.470 5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.081 9.442 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.523 8.547 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.151 7.307 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.609 6.910 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.864 8.608 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.241 8.605 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.104 6.937 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.640 7.845 2.470 1.00 0.00 H new ATOM 797 N ALA A 147 70.738 7.364 7.841 1.00 0.00 N ATOM 798 CA ALA A 147 69.853 6.590 8.702 1.00 0.00 C ATOM 799 C ALA A 147 69.496 5.245 8.075 1.00 0.00 C ATOM 800 O ALA A 147 69.575 5.058 6.856 1.00 0.00 O ATOM 801 CB ALA A 147 68.573 7.387 8.978 1.00 0.00 C ATOM 0 H ALA A 147 70.340 8.242 7.508 1.00 0.00 H new ATOM 0 HA ALA A 147 70.378 6.397 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 147 67.914 6.805 9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.828 8.325 9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.066 7.599 8.037 1.00 0.00 H new ATOM 807 N SER A 148 69.132 4.298 8.933 1.00 0.00 N ATOM 808 CA SER A 148 68.701 2.985 8.473 1.00 0.00 C ATOM 809 C SER A 148 67.624 2.421 9.396 1.00 0.00 C ATOM 810 O SER A 148 67.716 2.527 10.619 1.00 0.00 O ATOM 811 CB SER A 148 69.893 2.029 8.432 1.00 0.00 C ATOM 812 OG SER A 148 70.251 1.672 9.761 1.00 0.00 O ATOM 0 H SER A 148 69.127 4.415 9.946 1.00 0.00 H new ATOM 0 HA SER A 148 68.286 3.090 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.640 1.137 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.737 2.502 7.930 1.00 0.00 H new ATOM 0 HG SER A 148 71.014 1.057 9.740 1.00 0.00 H new ATOM 818 N SER A 149 66.606 1.822 8.790 1.00 0.00 N ATOM 819 CA SER A 149 65.525 1.182 9.533 1.00 0.00 C ATOM 820 C SER A 149 65.410 -0.280 9.102 1.00 0.00 C ATOM 821 O SER A 149 65.986 -0.654 8.081 1.00 0.00 O ATOM 822 CB SER A 149 64.201 1.907 9.270 1.00 0.00 C ATOM 823 OG SER A 149 64.174 2.385 7.931 1.00 0.00 O ATOM 0 H SER A 149 66.506 1.766 7.777 1.00 0.00 H new ATOM 0 HA SER A 149 65.745 1.232 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.364 1.230 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.086 2.738 9.966 1.00 0.00 H new ATOM 0 HG SER A 149 63.326 2.847 7.766 1.00 0.00 H new ATOM 829 N PRO A 150 64.711 -1.120 9.839 1.00 0.00 N ATOM 830 CA PRO A 150 64.559 -2.559 9.452 1.00 0.00 C ATOM 831 C PRO A 150 64.215 -2.734 7.973 1.00 0.00 C ATOM 832 O PRO A 150 64.812 -3.558 7.278 1.00 0.00 O ATOM 833 CB PRO A 150 63.420 -3.058 10.341 1.00 0.00 C ATOM 834 CG PRO A 150 63.482 -2.206 11.562 1.00 0.00 C ATOM 835 CD PRO A 150 64.018 -0.844 11.116 1.00 0.00 C ATOM 0 HA PRO A 150 65.487 -3.114 9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.457 -2.960 9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.545 -4.112 10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.496 -2.105 12.015 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.134 -2.652 12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.211 -0.124 10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.700 -0.424 11.855 1.00 0.00 H new ATOM 843 N GLU A 151 63.276 -1.929 7.485 1.00 0.00 N ATOM 844 CA GLU A 151 62.902 -1.980 6.077 1.00 0.00 C ATOM 845 C GLU A 151 64.117 -1.707 5.196 1.00 0.00 C ATOM 846 O GLU A 151 64.347 -2.399 4.203 1.00 0.00 O ATOM 847 CB GLU A 151 61.814 -0.943 5.787 1.00 0.00 C ATOM 848 CG GLU A 151 60.544 -1.303 6.565 1.00 0.00 C ATOM 849 CD GLU A 151 59.401 -0.338 6.240 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.669 0.761 5.777 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.264 -0.712 6.476 1.00 0.00 O ATOM 0 H GLU A 151 62.765 -1.241 8.038 1.00 0.00 H new ATOM 0 HA GLU A 151 62.519 -2.976 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.159 0.051 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.602 -0.912 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.243 -2.322 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.751 -1.278 7.635 1.00 0.00 H new ATOM 858 N CYS A 152 64.913 -0.712 5.577 1.00 0.00 N ATOM 859 CA CYS A 152 66.093 -0.354 4.799 1.00 0.00 C ATOM 860 C CYS A 152 67.055 -1.535 4.709 1.00 0.00 C ATOM 861 O CYS A 152 67.602 -1.823 3.647 1.00 0.00 O ATOM 862 CB CYS A 152 66.809 0.836 5.438 1.00 0.00 C ATOM 863 SG CYS A 152 65.683 2.251 5.503 1.00 0.00 S ATOM 0 H CYS A 152 64.764 -0.145 6.411 1.00 0.00 H new ATOM 0 HA CYS A 152 65.767 -0.083 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.143 0.577 6.443 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.699 1.091 4.862 1.00 0.00 H new ATOM 0 HG CYS A 152 65.083 2.276 6.656 1.00 0.00 H new ATOM 869 N MET A 153 67.247 -2.222 5.828 1.00 0.00 N ATOM 870 CA MET A 153 68.173 -3.348 5.871 1.00 0.00 C ATOM 871 C MET A 153 67.774 -4.405 4.847 1.00 0.00 C ATOM 872 O MET A 153 68.618 -4.938 4.129 1.00 0.00 O ATOM 873 CB MET A 153 68.187 -3.963 7.273 1.00 0.00 C ATOM 874 CG MET A 153 68.684 -2.934 8.294 1.00 0.00 C ATOM 875 SD MET A 153 69.516 -3.790 9.655 1.00 0.00 S ATOM 876 CE MET A 153 70.991 -4.303 8.739 1.00 0.00 C ATOM 0 H MET A 153 66.778 -2.022 6.712 1.00 0.00 H new ATOM 0 HA MET A 153 69.172 -2.985 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.185 -4.299 7.541 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.832 -4.842 7.287 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.370 -2.234 7.817 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.846 -2.350 8.675 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.165 -5.367 8.896 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.844 -4.113 7.676 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.854 -3.738 9.093 1.00 0.00 H new ATOM 886 N GLU A 154 66.478 -4.687 4.771 1.00 0.00 N ATOM 887 CA GLU A 154 65.982 -5.672 3.814 1.00 0.00 C ATOM 888 C GLU A 154 66.348 -5.253 2.394 1.00 0.00 C ATOM 889 O GLU A 154 66.850 -6.052 1.604 1.00 0.00 O ATOM 890 CB GLU A 154 64.463 -5.804 3.938 1.00 0.00 C ATOM 891 CG GLU A 154 64.109 -6.366 5.319 1.00 0.00 C ATOM 892 CD GLU A 154 62.601 -6.589 5.457 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.843 -5.983 4.715 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.223 -7.372 6.313 1.00 0.00 O ATOM 0 H GLU A 154 65.759 -4.255 5.352 1.00 0.00 H new ATOM 0 HA GLU A 154 66.443 -6.635 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 154 63.990 -4.832 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.080 -6.461 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.634 -7.308 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.450 -5.678 6.093 1.00 0.00 H new ATOM 901 N LEU A 155 66.113 -3.984 2.083 1.00 0.00 N ATOM 902 CA LEU A 155 66.420 -3.465 0.754 1.00 0.00 C ATOM 903 C LEU A 155 67.902 -3.647 0.434 1.00 0.00 C ATOM 904 O LEU A 155 68.269 -4.031 -0.677 1.00 0.00 O ATOM 905 CB LEU A 155 66.038 -1.981 0.679 1.00 0.00 C ATOM 906 CG LEU A 155 64.524 -1.828 0.871 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.194 -0.378 1.238 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.786 -2.189 -0.422 1.00 0.00 C ATOM 0 H LEU A 155 65.714 -3.300 2.726 1.00 0.00 H new ATOM 0 HA LEU A 155 65.842 -4.022 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.570 -1.419 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.336 -1.567 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 155 64.206 -2.498 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.118 -0.273 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.704 -0.112 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.525 0.284 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.712 -2.076 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.112 -1.527 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.008 -3.222 -0.692 1.00 0.00 H new ATOM 920 N TYR A 156 68.750 -3.398 1.423 1.00 0.00 N ATOM 921 CA TYR A 156 70.191 -3.540 1.250 1.00 0.00 C ATOM 922 C TYR A 156 70.539 -4.968 0.840 1.00 0.00 C ATOM 923 O TYR A 156 71.313 -5.191 -0.089 1.00 0.00 O ATOM 924 CB TYR A 156 70.889 -3.181 2.565 1.00 0.00 C ATOM 925 CG TYR A 156 72.386 -3.389 2.563 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.189 -2.733 1.624 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.971 -4.231 3.517 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.577 -2.919 1.639 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.358 -4.418 3.531 1.00 0.00 C ATOM 930 CZ TYR A 156 75.160 -3.762 2.592 1.00 0.00 C ATOM 931 OH TYR A 156 76.528 -3.943 2.607 1.00 0.00 O ATOM 0 H TYR A 156 68.465 -3.096 2.355 1.00 0.00 H new ATOM 0 HA TYR A 156 70.530 -2.868 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.681 -2.136 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.454 -3.778 3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.739 -2.083 0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.351 -4.737 4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.198 -2.412 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.808 -5.068 4.266 1.00 0.00 H new ATOM 0 HH TYR A 156 76.950 -3.298 2.002 1.00 0.00 H new ATOM 941 N MET A 157 69.936 -5.934 1.523 1.00 0.00 N ATOM 942 CA MET A 157 70.191 -7.339 1.223 1.00 0.00 C ATOM 943 C MET A 157 69.855 -7.641 -0.232 1.00 0.00 C ATOM 944 O MET A 157 70.630 -8.275 -0.945 1.00 0.00 O ATOM 945 CB MET A 157 69.336 -8.233 2.126 1.00 0.00 C ATOM 946 CG MET A 157 69.729 -9.705 1.943 1.00 0.00 C ATOM 947 SD MET A 157 68.275 -10.754 2.188 1.00 0.00 S ATOM 948 CE MET A 157 68.007 -10.378 3.936 1.00 0.00 C ATOM 0 H MET A 157 69.273 -5.773 2.281 1.00 0.00 H new ATOM 0 HA MET A 157 71.248 -7.540 1.400 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.468 -7.941 3.168 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.281 -8.099 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 157 70.139 -9.861 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.509 -9.975 2.654 1.00 0.00 H new ATOM 0 HE1 MET A 157 67.340 -11.123 4.370 1.00 0.00 H new ATOM 0 HE2 MET A 157 68.961 -10.395 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.558 -9.389 4.031 1.00 0.00 H new ATOM 958 N GLU A 158 68.702 -7.157 -0.673 1.00 0.00 N ATOM 959 CA GLU A 158 68.238 -7.437 -2.027 1.00 0.00 C ATOM 960 C GLU A 158 69.261 -6.962 -3.051 1.00 0.00 C ATOM 961 O GLU A 158 69.607 -7.692 -3.979 1.00 0.00 O ATOM 962 CB GLU A 158 66.898 -6.741 -2.276 1.00 0.00 C ATOM 963 CG GLU A 158 65.835 -7.327 -1.340 1.00 0.00 C ATOM 964 CD GLU A 158 64.459 -6.714 -1.609 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.393 -5.637 -2.183 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.481 -7.338 -1.232 1.00 0.00 O ATOM 0 H GLU A 158 68.075 -6.573 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 158 68.110 -8.514 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 158 66.996 -5.669 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.595 -6.873 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.786 -8.408 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.120 -7.146 -0.304 1.00 0.00 H new ATOM 973 N ALA A 159 69.770 -5.751 -2.856 1.00 0.00 N ATOM 974 CA ALA A 159 70.735 -5.189 -3.794 1.00 0.00 C ATOM 975 C ALA A 159 71.976 -6.071 -3.872 1.00 0.00 C ATOM 976 O ALA A 159 72.452 -6.400 -4.958 1.00 0.00 O ATOM 977 CB ALA A 159 71.133 -3.776 -3.369 1.00 0.00 C ATOM 0 H ALA A 159 69.535 -5.147 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 159 70.268 -5.145 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.854 -3.372 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.248 -3.140 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.581 -3.807 -2.376 1.00 0.00 H new ATOM 983 N LEU A 160 72.477 -6.487 -2.712 1.00 0.00 N ATOM 984 CA LEU A 160 73.681 -7.312 -2.665 1.00 0.00 C ATOM 985 C LEU A 160 73.497 -8.578 -3.493 1.00 0.00 C ATOM 986 O LEU A 160 74.394 -8.992 -4.225 1.00 0.00 O ATOM 987 CB LEU A 160 73.997 -7.703 -1.220 1.00 0.00 C ATOM 988 CG LEU A 160 74.436 -6.471 -0.426 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.524 -6.829 1.061 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.807 -6.004 -0.920 1.00 0.00 C ATOM 0 H LEU A 160 72.073 -6.269 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 160 74.506 -6.730 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.118 -8.150 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.785 -8.456 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 160 73.709 -5.671 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.837 -5.952 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.547 -7.160 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.251 -7.629 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.118 -5.126 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.535 -6.803 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.745 -5.750 -1.978 1.00 0.00 H new ATOM 1002 N GLN A 161 72.325 -9.188 -3.366 1.00 0.00 N ATOM 1003 CA GLN A 161 72.029 -10.415 -4.093 1.00 0.00 C ATOM 1004 C GLN A 161 72.098 -10.172 -5.596 1.00 0.00 C ATOM 1005 O GLN A 161 72.734 -10.927 -6.331 1.00 0.00 O ATOM 1006 CB GLN A 161 70.639 -10.916 -3.697 1.00 0.00 C ATOM 1007 CG GLN A 161 70.635 -11.240 -2.200 1.00 0.00 C ATOM 1008 CD GLN A 161 69.213 -11.463 -1.686 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.237 -11.208 -2.394 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.040 -11.920 -0.476 1.00 0.00 N ATOM 0 H GLN A 161 71.568 -8.855 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 161 72.770 -11.172 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.888 -10.159 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.379 -11.803 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.235 -12.132 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 161 71.100 -10.424 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.848 -12.131 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.097 -12.066 -0.116 1.00 0.00 H new ATOM 1019 N ARG A 162 71.497 -9.075 -6.043 1.00 0.00 N ATOM 1020 CA ARG A 162 71.469 -8.755 -7.467 1.00 0.00 C ATOM 1021 C ARG A 162 72.881 -8.682 -8.042 1.00 0.00 C ATOM 1022 O ARG A 162 73.136 -9.163 -9.146 1.00 0.00 O ATOM 1023 CB ARG A 162 70.773 -7.408 -7.684 1.00 0.00 C ATOM 1024 CG ARG A 162 69.304 -7.494 -7.247 1.00 0.00 C ATOM 1025 CD ARG A 162 68.451 -6.532 -8.079 1.00 0.00 C ATOM 1026 NE ARG A 162 68.306 -7.036 -9.447 1.00 0.00 N ATOM 1027 CZ ARG A 162 68.095 -6.242 -10.509 1.00 0.00 C ATOM 1028 NH1 ARG A 162 68.000 -4.939 -10.401 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.980 -6.787 -11.689 1.00 0.00 N ATOM 0 H ARG A 162 71.025 -8.396 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 162 70.921 -9.547 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.284 -6.631 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.831 -7.125 -8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 162 68.939 -8.514 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.216 -7.248 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.469 -6.416 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.914 -5.545 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 162 68.369 -8.042 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 162 68.087 -4.495 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 162 67.839 -4.369 -11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.051 -7.799 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 162 67.819 -6.201 -12.508 1.00 0.00 H new ATOM 1043 N ILE A 163 73.793 -8.080 -7.287 1.00 0.00 N ATOM 1044 CA ILE A 163 75.154 -7.859 -7.782 1.00 0.00 C ATOM 1045 C ILE A 163 76.098 -9.041 -7.522 1.00 0.00 C ATOM 1046 O ILE A 163 77.314 -8.897 -7.645 1.00 0.00 O ATOM 1047 CB ILE A 163 75.734 -6.585 -7.163 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.733 -6.701 -5.636 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.879 -5.389 -7.589 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.504 -5.526 -5.027 1.00 0.00 C ATOM 0 H ILE A 163 73.622 -7.739 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 163 75.077 -7.754 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 163 76.759 -6.446 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.709 -6.708 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.189 -7.643 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.286 -4.477 -7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.886 -5.305 -8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.855 -5.532 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.501 -5.613 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.532 -5.539 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.029 -4.589 -5.318 1.00 0.00 H new ATOM 1062 N GLY A 164 75.553 -10.201 -7.163 1.00 0.00 N ATOM 1063 CA GLY A 164 76.360 -11.411 -7.023 1.00 0.00 C ATOM 1064 C GLY A 164 77.252 -11.402 -5.780 1.00 0.00 C ATOM 1065 O GLY A 164 78.244 -12.131 -5.728 1.00 0.00 O ATOM 0 H GLY A 164 74.561 -10.329 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.700 -12.277 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 164 76.984 -11.528 -7.909 1.00 0.00 H new ATOM 1069 N ARG A 165 76.912 -10.589 -4.782 1.00 0.00 N ATOM 1070 CA ARG A 165 77.664 -10.572 -3.532 1.00 0.00 C ATOM 1071 C ARG A 165 76.973 -11.448 -2.491 1.00 0.00 C ATOM 1072 O ARG A 165 76.180 -10.961 -1.685 1.00 0.00 O ATOM 1073 CB ARG A 165 77.794 -9.140 -3.011 1.00 0.00 C ATOM 1074 CG ARG A 165 78.706 -8.343 -3.946 1.00 0.00 C ATOM 1075 CD ARG A 165 78.981 -6.964 -3.343 1.00 0.00 C ATOM 1076 NE ARG A 165 79.734 -6.137 -4.291 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.482 -5.085 -3.924 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.597 -4.711 -2.673 1.00 0.00 N ATOM 1079 NH2 ARG A 165 81.118 -4.413 -4.844 1.00 0.00 N ATOM 0 H ARG A 165 76.127 -9.939 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 165 78.662 -10.968 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.812 -8.671 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.204 -9.144 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.643 -8.878 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.237 -8.236 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.040 -6.475 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.544 -7.070 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 165 79.687 -6.374 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 165 80.108 -5.225 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 165 81.175 -3.906 -2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.042 -4.690 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 165 81.691 -3.610 -4.585 1.00 0.00 H new