USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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: B 23 THR OG1 : rot -92:sc= -1.72! USER MOD Set 1.2: B 26 GLN : amide:sc= -0.229 K(o=-2,f=-3.6!) USER MOD Single : A 6 THR OG1 : rot 120:sc= -4.33! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -3.04! C(o=-3!,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= -4.87! C(o=-4.9!,f=-22!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -4.29! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -8.25! C(o=-8.3!,f=-2.4!) USER MOD Single : A 29 ASN : amide:sc= -0.721 X(o=-0.72,f=-0.28) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -7.24! (180deg=-8.54!) USER MOD Single : A 37 THR OG1 : rot -124:sc= -0.0906! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -14.6! C(o=-15!,f=-9.1!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -8.19! C(o=-8.2!,f=-2.5!) USER MOD Single : B 16 ASN : amide:sc= -20.3! C(o=-20!,f=-4.7!) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 30 LYS NZ :NH3+ -137:sc= -0.365! (180deg=-2.75!) USER MOD Single : B 37 THR OG1 : rot -102:sc= 0.379 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 11.280 -6.575 0.358 1.00 0.00 N ATOM 75 CA THR A 6 10.943 -5.595 1.383 1.00 0.00 C ATOM 76 C THR A 6 9.717 -4.781 0.985 1.00 0.00 C ATOM 77 O THR A 6 9.345 -4.733 -0.188 1.00 0.00 O ATOM 78 CB THR A 6 12.117 -4.634 1.650 1.00 0.00 C ATOM 79 OG1 THR A 6 11.755 -3.686 2.660 1.00 0.00 O ATOM 80 CG2 THR A 6 12.514 -3.900 0.378 1.00 0.00 C ATOM 0 HA THR A 6 10.725 -6.154 2.293 1.00 0.00 H new ATOM 0 HB THR A 6 12.968 -5.222 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.366 -3.771 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.345 -3.227 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.817 -4.623 -0.380 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.665 -3.324 0.010 1.00 0.00 H new ATOM 88 N CYS A 7 9.092 -4.143 1.969 1.00 0.00 N ATOM 89 CA CYS A 7 7.910 -3.326 1.721 1.00 0.00 C ATOM 90 C CYS A 7 8.167 -1.868 2.091 1.00 0.00 C ATOM 91 O CYS A 7 7.343 -0.994 1.817 1.00 0.00 O ATOM 92 CB CYS A 7 6.718 -3.861 2.517 1.00 0.00 C ATOM 93 SG CYS A 7 6.211 -5.549 2.056 1.00 0.00 S ATOM 0 H CYS A 7 9.384 -4.176 2.946 1.00 0.00 H new ATOM 0 HA CYS A 7 7.682 -3.378 0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.967 -3.845 3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.871 -3.189 2.378 1.00 0.00 H new ATOM 98 N THR A 8 9.311 -1.611 2.717 1.00 0.00 N ATOM 99 CA THR A 8 9.668 -0.259 3.128 1.00 0.00 C ATOM 100 C THR A 8 9.983 0.617 1.921 1.00 0.00 C ATOM 101 O THR A 8 11.119 0.662 1.452 1.00 0.00 O ATOM 102 CB THR A 8 10.882 -0.260 4.076 1.00 0.00 C ATOM 103 OG1 THR A 8 11.203 1.080 4.464 1.00 0.00 O ATOM 104 CG2 THR A 8 12.090 -0.903 3.409 1.00 0.00 C ATOM 0 H THR A 8 10.006 -2.321 2.950 1.00 0.00 H new ATOM 0 HA THR A 8 8.805 0.148 3.655 1.00 0.00 H new ATOM 0 HB THR A 8 10.622 -0.841 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.975 1.070 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.935 -0.892 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.853 -1.933 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.349 -0.345 2.509 1.00 0.00 H new ATOM 112 N VAL A 9 8.965 1.310 1.420 1.00 0.00 N ATOM 113 CA VAL A 9 9.129 2.176 0.259 1.00 0.00 C ATOM 114 C VAL A 9 8.606 3.581 0.543 1.00 0.00 C ATOM 115 O VAL A 9 8.019 3.834 1.595 1.00 0.00 O ATOM 116 CB VAL A 9 8.398 1.610 -0.971 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.580 2.527 -2.171 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.891 0.206 -1.285 1.00 0.00 C ATOM 0 H VAL A 9 8.019 1.288 1.800 1.00 0.00 H new ATOM 0 HA VAL A 9 10.197 2.223 0.049 1.00 0.00 H new ATOM 0 HB VAL A 9 7.333 1.555 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.056 2.110 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.173 3.512 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.641 2.617 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.363 -0.178 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.961 0.234 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.703 -0.445 -0.431 1.00 0.00 H new ATOM 128 N ALA A 10 8.819 4.488 -0.405 1.00 0.00 N ATOM 129 CA ALA A 10 8.361 5.864 -0.262 1.00 0.00 C ATOM 130 C ALA A 10 7.006 6.062 -0.933 1.00 0.00 C ATOM 131 O ALA A 10 6.835 5.748 -2.112 1.00 0.00 O ATOM 132 CB ALA A 10 9.386 6.825 -0.843 1.00 0.00 C ATOM 0 H ALA A 10 9.306 4.294 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 10 8.246 6.075 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.030 7.849 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.333 6.709 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.531 6.607 -1.901 1.00 0.00 H new ATOM 138 N PRO A 11 6.024 6.583 -0.183 1.00 0.00 N ATOM 139 CA PRO A 11 4.671 6.812 -0.694 1.00 0.00 C ATOM 140 C PRO A 11 4.672 7.457 -2.076 1.00 0.00 C ATOM 141 O PRO A 11 3.686 7.380 -2.808 1.00 0.00 O ATOM 142 CB PRO A 11 4.069 7.759 0.342 1.00 0.00 C ATOM 143 CG PRO A 11 4.766 7.414 1.613 1.00 0.00 C ATOM 144 CD PRO A 11 6.159 6.985 1.229 1.00 0.00 C ATOM 0 HA PRO A 11 4.115 5.883 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.233 8.802 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.992 7.619 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.795 8.271 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.244 6.614 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.875 7.798 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.509 6.159 1.849 1.00 0.00 H new ATOM 152 N ARG A 12 5.787 8.091 -2.428 1.00 0.00 N ATOM 153 CA ARG A 12 5.916 8.744 -3.724 1.00 0.00 C ATOM 154 C ARG A 12 6.454 7.774 -4.771 1.00 0.00 C ATOM 155 O ARG A 12 6.124 7.874 -5.953 1.00 0.00 O ATOM 156 CB ARG A 12 6.837 9.960 -3.618 1.00 0.00 C ATOM 157 CG ARG A 12 6.344 11.014 -2.641 1.00 0.00 C ATOM 158 CD ARG A 12 4.975 11.545 -3.038 1.00 0.00 C ATOM 159 NE ARG A 12 4.492 12.560 -2.107 1.00 0.00 N ATOM 160 CZ ARG A 12 3.296 13.134 -2.200 1.00 0.00 C ATOM 161 NH1 ARG A 12 2.468 12.792 -3.177 1.00 0.00 N ATOM 162 NH2 ARG A 12 2.928 14.049 -1.313 1.00 0.00 N ATOM 0 H ARG A 12 6.613 8.166 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 12 4.925 9.074 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.829 9.628 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.943 10.412 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.294 10.588 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.057 11.837 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.027 11.968 -4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.263 10.720 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 12 5.105 12.845 -1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.748 12.087 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.551 13.234 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.562 14.313 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.011 14.489 -1.385 1.00 0.00 H new ATOM 176 N GLU A 13 7.284 6.836 -4.329 1.00 0.00 N ATOM 177 CA GLU A 13 7.871 5.848 -5.228 1.00 0.00 C ATOM 178 C GLU A 13 7.284 4.463 -4.973 1.00 0.00 C ATOM 179 O GLU A 13 8.012 3.474 -4.899 1.00 0.00 O ATOM 180 CB GLU A 13 9.391 5.810 -5.056 1.00 0.00 C ATOM 181 CG GLU A 13 10.070 7.136 -5.356 1.00 0.00 C ATOM 182 CD GLU A 13 11.574 7.073 -5.179 1.00 0.00 C ATOM 183 OE1 GLU A 13 12.151 5.985 -5.385 1.00 0.00 O ATOM 184 OE2 GLU A 13 12.175 8.112 -4.834 1.00 0.00 O ATOM 0 H GLU A 13 7.566 6.739 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 13 7.635 6.140 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.625 5.514 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.804 5.043 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.840 7.435 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.662 7.905 -4.700 1.00 0.00 H new ATOM 191 N ARG A 14 5.962 4.401 -4.842 1.00 0.00 N ATOM 192 CA ARG A 14 5.277 3.135 -4.603 1.00 0.00 C ATOM 193 C ARG A 14 4.451 2.725 -5.818 1.00 0.00 C ATOM 194 O ARG A 14 3.856 3.568 -6.489 1.00 0.00 O ATOM 195 CB ARG A 14 4.375 3.244 -3.373 1.00 0.00 C ATOM 196 CG ARG A 14 5.127 3.579 -2.095 1.00 0.00 C ATOM 197 CD ARG A 14 4.187 3.675 -0.904 1.00 0.00 C ATOM 198 NE ARG A 14 4.898 4.003 0.328 1.00 0.00 N ATOM 199 CZ ARG A 14 4.300 4.152 1.505 1.00 0.00 C ATOM 200 NH1 ARG A 14 2.987 4.000 1.607 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.015 4.453 2.581 1.00 0.00 N ATOM 0 H ARG A 14 5.345 5.211 -4.897 1.00 0.00 H new ATOM 0 HA ARG A 14 6.033 2.370 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.621 4.010 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.845 2.301 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.881 2.815 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.656 4.524 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.430 4.435 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.662 2.728 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 14 5.910 4.124 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.435 3.768 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.529 4.115 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.025 4.570 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.554 4.567 3.484 1.00 0.00 H new ATOM 215 N GLN A 15 4.418 1.426 -6.093 1.00 0.00 N ATOM 216 CA GLN A 15 3.660 0.902 -7.223 1.00 0.00 C ATOM 217 C GLN A 15 2.450 0.108 -6.744 1.00 0.00 C ATOM 218 O GLN A 15 2.533 -1.102 -6.536 1.00 0.00 O ATOM 219 CB GLN A 15 4.552 0.017 -8.096 1.00 0.00 C ATOM 220 CG GLN A 15 5.750 0.748 -8.678 1.00 0.00 C ATOM 221 CD GLN A 15 6.660 1.321 -7.609 1.00 0.00 C ATOM 222 OE1 GLN A 15 6.765 0.777 -6.510 1.00 0.00 O ATOM 223 NE2 GLN A 15 7.322 2.429 -7.926 1.00 0.00 N ATOM 0 H GLN A 15 4.908 0.716 -5.548 1.00 0.00 H new ATOM 0 HA GLN A 15 3.307 1.747 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.905 -0.827 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.956 -0.393 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.320 0.062 -9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.401 1.554 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.205 2.846 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.947 2.862 -7.246 1.00 0.00 H new ATOM 232 N ASN A 16 1.326 0.796 -6.573 1.00 0.00 N ATOM 233 CA ASN A 16 0.097 0.152 -6.124 1.00 0.00 C ATOM 234 C ASN A 16 0.124 -1.340 -6.438 1.00 0.00 C ATOM 235 O ASN A 16 0.707 -1.765 -7.436 1.00 0.00 O ATOM 236 CB ASN A 16 -1.117 0.805 -6.788 1.00 0.00 C ATOM 237 CG ASN A 16 -2.424 0.172 -6.355 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.479 -1.019 -6.050 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.486 0.969 -6.325 1.00 0.00 N ATOM 0 H ASN A 16 1.241 1.799 -6.738 1.00 0.00 H new ATOM 0 HA ASN A 16 0.021 0.277 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.133 1.867 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.020 0.728 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.393 0.599 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.394 1.951 -6.586 1.00 0.00 H new ATOM 246 N CYS A 17 -0.502 -2.134 -5.575 1.00 0.00 N ATOM 247 CA CYS A 17 -0.531 -3.581 -5.751 1.00 0.00 C ATOM 248 C CYS A 17 -1.920 -4.129 -5.448 1.00 0.00 C ATOM 249 O CYS A 17 -2.150 -5.337 -5.489 1.00 0.00 O ATOM 250 CB CYS A 17 0.507 -4.246 -4.845 1.00 0.00 C ATOM 251 SG CYS A 17 0.629 -6.054 -5.046 1.00 0.00 S ATOM 0 H CYS A 17 -0.996 -1.800 -4.747 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.288 -3.807 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.483 -3.803 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.262 -4.023 -3.807 1.00 0.00 H new ATOM 256 N GLY A 18 -2.843 -3.222 -5.147 1.00 0.00 N ATOM 257 CA GLY A 18 -4.206 -3.614 -4.853 1.00 0.00 C ATOM 258 C GLY A 18 -5.184 -2.471 -5.037 1.00 0.00 C ATOM 259 O GLY A 18 -5.086 -1.711 -6.000 1.00 0.00 O ATOM 0 H GLY A 18 -2.669 -2.218 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.492 -4.442 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.264 -3.978 -3.827 1.00 0.00 H new ATOM 263 N PHE A 19 -6.125 -2.346 -4.109 1.00 0.00 N ATOM 264 CA PHE A 19 -7.109 -1.271 -4.160 1.00 0.00 C ATOM 265 C PHE A 19 -6.804 -0.204 -3.112 1.00 0.00 C ATOM 266 O PHE A 19 -5.910 -0.374 -2.282 1.00 0.00 O ATOM 267 CB PHE A 19 -8.520 -1.827 -3.955 1.00 0.00 C ATOM 268 CG PHE A 19 -8.691 -2.587 -2.671 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.339 -3.924 -2.591 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.209 -1.965 -1.546 1.00 0.00 C ATOM 271 CE1 PHE A 19 -8.500 -4.628 -1.412 1.00 0.00 C ATOM 272 CE2 PHE A 19 -9.372 -2.664 -0.365 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.017 -3.997 -0.298 1.00 0.00 C ATOM 0 H PHE A 19 -6.228 -2.975 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.054 -0.809 -5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.232 -1.002 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.767 -2.482 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.934 -4.422 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.488 -0.923 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.222 -5.670 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.777 -2.168 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.144 -4.545 0.624 1.00 0.00 H new ATOM 283 N PRO A 20 -7.542 0.916 -3.144 1.00 0.00 N ATOM 284 CA PRO A 20 -7.341 2.024 -2.205 1.00 0.00 C ATOM 285 C PRO A 20 -7.750 1.660 -0.782 1.00 0.00 C ATOM 286 O PRO A 20 -7.022 1.931 0.172 1.00 0.00 O ATOM 287 CB PRO A 20 -8.248 3.127 -2.757 1.00 0.00 C ATOM 288 CG PRO A 20 -9.297 2.406 -3.531 1.00 0.00 C ATOM 289 CD PRO A 20 -8.626 1.189 -4.104 1.00 0.00 C ATOM 0 HA PRO A 20 -6.292 2.312 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.686 3.718 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.691 3.816 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.132 2.125 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.701 3.037 -4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.316 0.348 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.239 1.377 -5.105 1.00 0.00 H new ATOM 297 N GLY A 21 -8.922 1.045 -0.646 1.00 0.00 N ATOM 298 CA GLY A 21 -9.408 0.659 0.665 1.00 0.00 C ATOM 299 C GLY A 21 -8.694 -0.560 1.215 1.00 0.00 C ATOM 300 O GLY A 21 -9.068 -1.086 2.263 1.00 0.00 O ATOM 0 H GLY A 21 -9.542 0.808 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.281 1.493 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.477 0.454 0.606 1.00 0.00 H new ATOM 304 N VAL A 22 -7.662 -1.009 0.508 1.00 0.00 N ATOM 305 CA VAL A 22 -6.894 -2.173 0.932 1.00 0.00 C ATOM 306 C VAL A 22 -6.462 -2.051 2.389 1.00 0.00 C ATOM 307 O VAL A 22 -5.790 -1.092 2.770 1.00 0.00 O ATOM 308 CB VAL A 22 -5.644 -2.373 0.053 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.044 -2.664 -1.385 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.740 -1.153 0.126 1.00 0.00 C ATOM 0 H VAL A 22 -7.339 -0.584 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.549 -3.037 0.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.089 -3.231 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.149 -2.802 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.648 -3.571 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.622 -1.828 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.863 -1.312 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.283 -0.276 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.425 -0.995 1.157 1.00 0.00 H new ATOM 320 N THR A 23 -6.847 -3.033 3.198 1.00 0.00 N ATOM 321 CA THR A 23 -6.487 -3.048 4.609 1.00 0.00 C ATOM 322 C THR A 23 -5.433 -4.114 4.892 1.00 0.00 C ATOM 323 O THR A 23 -4.977 -4.804 3.980 1.00 0.00 O ATOM 324 CB THR A 23 -7.718 -3.307 5.499 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.291 -4.582 5.183 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.761 -2.216 5.307 1.00 0.00 C ATOM 0 H THR A 23 -7.409 -3.830 2.899 1.00 0.00 H new ATOM 0 HA THR A 23 -6.079 -2.065 4.845 1.00 0.00 H new ATOM 0 HB THR A 23 -7.395 -3.302 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.072 -4.740 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.621 -2.419 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.331 -1.251 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.079 -2.196 4.265 1.00 0.00 H new ATOM 334 N PRO A 24 -5.030 -4.259 6.163 1.00 0.00 N ATOM 335 CA PRO A 24 -4.018 -5.241 6.565 1.00 0.00 C ATOM 336 C PRO A 24 -4.311 -6.635 6.016 1.00 0.00 C ATOM 337 O PRO A 24 -3.424 -7.301 5.483 1.00 0.00 O ATOM 338 CB PRO A 24 -4.111 -5.235 8.091 1.00 0.00 C ATOM 339 CG PRO A 24 -4.612 -3.874 8.432 1.00 0.00 C ATOM 340 CD PRO A 24 -5.528 -3.475 7.308 1.00 0.00 C ATOM 0 HA PRO A 24 -3.029 -4.990 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.790 -6.009 8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.140 -5.426 8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.143 -3.881 9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.787 -3.168 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.568 -3.711 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.480 -2.404 7.112 1.00 0.00 H new ATOM 348 N SER A 25 -5.558 -7.071 6.157 1.00 0.00 N ATOM 349 CA SER A 25 -5.962 -8.394 5.689 1.00 0.00 C ATOM 350 C SER A 25 -6.316 -8.365 4.206 1.00 0.00 C ATOM 351 O SER A 25 -6.079 -9.332 3.483 1.00 0.00 O ATOM 352 CB SER A 25 -7.156 -8.902 6.500 1.00 0.00 C ATOM 353 OG SER A 25 -6.833 -9.001 7.876 1.00 0.00 O ATOM 0 H SER A 25 -6.306 -6.530 6.591 1.00 0.00 H new ATOM 0 HA SER A 25 -5.120 -9.072 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.002 -8.227 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.466 -9.877 6.125 1.00 0.00 H new ATOM 0 HG SER A 25 -7.613 -9.326 8.373 1.00 0.00 H new ATOM 359 N GLN A 26 -6.890 -7.253 3.760 1.00 0.00 N ATOM 360 CA GLN A 26 -7.290 -7.106 2.364 1.00 0.00 C ATOM 361 C GLN A 26 -6.072 -7.105 1.446 1.00 0.00 C ATOM 362 O GLN A 26 -6.141 -7.571 0.309 1.00 0.00 O ATOM 363 CB GLN A 26 -8.087 -5.813 2.174 1.00 0.00 C ATOM 364 CG GLN A 26 -9.347 -5.736 3.024 1.00 0.00 C ATOM 365 CD GLN A 26 -10.391 -6.763 2.626 1.00 0.00 C ATOM 366 OE1 GLN A 26 -11.590 -6.537 2.789 1.00 0.00 O ATOM 367 NE2 GLN A 26 -9.944 -7.896 2.100 1.00 0.00 N ATOM 0 H GLN A 26 -7.089 -6.441 4.344 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.920 -7.956 2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.446 -4.964 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.362 -5.718 1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.082 -5.881 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.776 -4.738 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.942 -8.043 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.603 -8.620 1.813 1.00 0.00 H new ATOM 376 N CYS A 27 -4.960 -6.576 1.946 1.00 0.00 N ATOM 377 CA CYS A 27 -3.729 -6.511 1.167 1.00 0.00 C ATOM 378 C CYS A 27 -2.957 -7.823 1.264 1.00 0.00 C ATOM 379 O CYS A 27 -2.610 -8.426 0.249 1.00 0.00 O ATOM 380 CB CYS A 27 -2.855 -5.354 1.654 1.00 0.00 C ATOM 381 SG CYS A 27 -1.316 -5.133 0.705 1.00 0.00 S ATOM 0 H CYS A 27 -4.886 -6.187 2.886 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.995 -6.342 0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.433 -4.431 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.603 -5.519 2.701 1.00 0.00 H new ATOM 386 N ALA A 28 -2.697 -8.262 2.491 1.00 0.00 N ATOM 387 CA ALA A 28 -1.983 -9.513 2.719 1.00 0.00 C ATOM 388 C ALA A 28 -2.740 -10.690 2.116 1.00 0.00 C ATOM 389 O ALA A 28 -2.150 -11.725 1.802 1.00 0.00 O ATOM 390 CB ALA A 28 -1.763 -9.730 4.209 1.00 0.00 C ATOM 0 H ALA A 28 -2.970 -7.771 3.342 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.013 -9.447 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.229 -10.667 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.176 -8.906 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.727 -9.772 4.717 1.00 0.00 H new ATOM 396 N ASN A 29 -4.048 -10.525 1.954 1.00 0.00 N ATOM 397 CA ASN A 29 -4.885 -11.570 1.377 1.00 0.00 C ATOM 398 C ASN A 29 -4.712 -11.633 -0.137 1.00 0.00 C ATOM 399 O ASN A 29 -5.153 -12.582 -0.783 1.00 0.00 O ATOM 400 CB ASN A 29 -6.355 -11.323 1.725 1.00 0.00 C ATOM 401 CG ASN A 29 -7.274 -12.370 1.131 1.00 0.00 C ATOM 402 OD1 ASN A 29 -7.550 -13.397 1.751 1.00 0.00 O ATOM 403 ND2 ASN A 29 -7.756 -12.115 -0.080 1.00 0.00 N ATOM 0 H ASN A 29 -4.552 -9.677 2.214 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.573 -12.526 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.472 -11.314 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.650 -10.338 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.381 -12.783 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.501 -11.251 -0.559 1.00 0.00 H new ATOM 410 N LYS A 30 -4.067 -10.614 -0.695 1.00 0.00 N ATOM 411 CA LYS A 30 -3.834 -10.552 -2.134 1.00 0.00 C ATOM 412 C LYS A 30 -2.360 -10.775 -2.457 1.00 0.00 C ATOM 413 O LYS A 30 -1.996 -11.008 -3.610 1.00 0.00 O ATOM 414 CB LYS A 30 -4.292 -9.202 -2.688 1.00 0.00 C ATOM 415 CG LYS A 30 -5.770 -8.924 -2.470 1.00 0.00 C ATOM 416 CD LYS A 30 -6.642 -9.986 -3.121 1.00 0.00 C ATOM 417 CE LYS A 30 -6.454 -10.021 -4.629 1.00 0.00 C ATOM 418 NZ LYS A 30 -5.052 -10.351 -5.010 1.00 0.00 N ATOM 0 H LYS A 30 -3.696 -9.820 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.414 -11.345 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.709 -8.410 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.078 -9.166 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.980 -8.886 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.021 -7.945 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.400 -10.963 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.689 -9.790 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.130 -10.758 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.726 -9.053 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.021 -10.630 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.447 -9.518 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.708 -11.136 -4.421 1.00 0.00 H new ATOM 432 N GLY A 31 -1.516 -10.696 -1.434 1.00 0.00 N ATOM 433 CA GLY A 31 -0.091 -10.884 -1.631 1.00 0.00 C ATOM 434 C GLY A 31 0.634 -9.581 -1.907 1.00 0.00 C ATOM 435 O GLY A 31 1.599 -9.548 -2.670 1.00 0.00 O ATOM 0 H GLY A 31 -1.794 -10.505 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.336 -11.353 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.070 -11.569 -2.463 1.00 0.00 H new ATOM 439 N CYS A 32 0.165 -8.504 -1.285 1.00 0.00 N ATOM 440 CA CYS A 32 0.771 -7.190 -1.468 1.00 0.00 C ATOM 441 C CYS A 32 1.219 -6.607 -0.131 1.00 0.00 C ATOM 442 O CYS A 32 0.795 -7.063 0.930 1.00 0.00 O ATOM 443 CB CYS A 32 -0.220 -6.238 -2.139 1.00 0.00 C ATOM 444 SG CYS A 32 -0.786 -6.780 -3.784 1.00 0.00 S ATOM 0 H CYS A 32 -0.633 -8.515 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 32 1.646 -7.308 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.088 -6.119 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.244 -5.256 -2.233 1.00 0.00 H new ATOM 449 N CYS A 33 2.060 -5.579 -0.192 1.00 0.00 N ATOM 450 CA CYS A 33 2.508 -4.887 1.011 1.00 0.00 C ATOM 451 C CYS A 33 1.463 -3.875 1.470 1.00 0.00 C ATOM 452 O CYS A 33 0.684 -3.366 0.665 1.00 0.00 O ATOM 453 CB CYS A 33 3.840 -4.178 0.757 1.00 0.00 C ATOM 454 SG CYS A 33 5.209 -5.292 0.308 1.00 0.00 S ATOM 0 H CYS A 33 2.444 -5.207 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 33 2.647 -5.630 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.704 -3.449 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.118 -3.622 1.652 1.00 0.00 H new ATOM 459 N PHE A 34 1.454 -3.585 2.766 1.00 0.00 N ATOM 460 CA PHE A 34 0.507 -2.628 3.326 1.00 0.00 C ATOM 461 C PHE A 34 1.226 -1.575 4.163 1.00 0.00 C ATOM 462 O PHE A 34 2.125 -1.894 4.940 1.00 0.00 O ATOM 463 CB PHE A 34 -0.538 -3.347 4.180 1.00 0.00 C ATOM 464 CG PHE A 34 -1.566 -2.426 4.770 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.710 -2.097 4.060 1.00 0.00 C ATOM 466 CD2 PHE A 34 -1.390 -1.890 6.035 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.658 -1.248 4.599 1.00 0.00 C ATOM 468 CE2 PHE A 34 -2.336 -1.041 6.581 1.00 0.00 C ATOM 469 CZ PHE A 34 -3.471 -0.720 5.861 1.00 0.00 C ATOM 0 H PHE A 34 2.091 -3.998 3.448 1.00 0.00 H new ATOM 0 HA PHE A 34 0.006 -2.128 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.041 -4.097 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.033 -3.879 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.862 -2.509 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.504 -2.138 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.544 -0.998 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.188 -0.630 7.569 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.211 -0.057 6.285 1.00 0.00 H new ATOM 479 N ASP A 35 0.821 -0.320 3.998 1.00 0.00 N ATOM 480 CA ASP A 35 1.423 0.781 4.740 1.00 0.00 C ATOM 481 C ASP A 35 0.497 1.992 4.761 1.00 0.00 C ATOM 482 O ASP A 35 0.677 2.937 3.993 1.00 0.00 O ATOM 483 CB ASP A 35 2.769 1.165 4.124 1.00 0.00 C ATOM 484 CG ASP A 35 3.439 2.307 4.862 1.00 0.00 C ATOM 485 OD1 ASP A 35 3.223 2.431 6.086 1.00 0.00 O ATOM 486 OD2 ASP A 35 4.180 3.079 4.216 1.00 0.00 O ATOM 0 H ASP A 35 0.078 -0.040 3.357 1.00 0.00 H new ATOM 0 HA ASP A 35 1.583 0.450 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.428 0.297 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.621 1.447 3.082 1.00 0.00 H new ATOM 491 N ASP A 36 -0.494 1.957 5.645 1.00 0.00 N ATOM 492 CA ASP A 36 -1.451 3.052 5.765 1.00 0.00 C ATOM 493 C ASP A 36 -0.868 4.196 6.590 1.00 0.00 C ATOM 494 O ASP A 36 -1.529 4.731 7.480 1.00 0.00 O ATOM 495 CB ASP A 36 -2.748 2.554 6.405 1.00 0.00 C ATOM 496 CG ASP A 36 -2.524 1.982 7.791 1.00 0.00 C ATOM 497 OD1 ASP A 36 -1.424 1.447 8.042 1.00 0.00 O ATOM 498 OD2 ASP A 36 -3.449 2.068 8.626 1.00 0.00 O ATOM 0 H ASP A 36 -0.656 1.183 6.289 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.668 3.425 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.460 3.377 6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.195 1.791 5.768 1.00 0.00 H new ATOM 503 N THR A 37 0.374 4.561 6.290 1.00 0.00 N ATOM 504 CA THR A 37 1.050 5.631 7.013 1.00 0.00 C ATOM 505 C THR A 37 1.107 6.909 6.181 1.00 0.00 C ATOM 506 O THR A 37 1.565 7.949 6.655 1.00 0.00 O ATOM 507 CB THR A 37 2.485 5.226 7.402 1.00 0.00 C ATOM 508 OG1 THR A 37 3.247 4.928 6.227 1.00 0.00 O ATOM 509 CG2 THR A 37 2.473 4.016 8.325 1.00 0.00 C ATOM 0 H THR A 37 0.932 4.132 5.552 1.00 0.00 H new ATOM 0 HA THR A 37 0.471 5.814 7.918 1.00 0.00 H new ATOM 0 HB THR A 37 2.945 6.062 7.929 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.612 4.021 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.497 3.748 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.918 4.256 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.996 3.177 7.819 1.00 0.00 H new ATOM 517 N VAL A 38 0.643 6.823 4.939 1.00 0.00 N ATOM 518 CA VAL A 38 0.659 7.968 4.038 1.00 0.00 C ATOM 519 C VAL A 38 -0.549 7.957 3.107 1.00 0.00 C ATOM 520 O VAL A 38 -0.727 7.033 2.314 1.00 0.00 O ATOM 521 CB VAL A 38 1.946 7.999 3.192 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.940 9.193 2.250 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.173 8.023 4.090 1.00 0.00 C ATOM 0 H VAL A 38 0.252 5.973 4.534 1.00 0.00 H new ATOM 0 HA VAL A 38 0.622 8.860 4.663 1.00 0.00 H new ATOM 0 HB VAL A 38 1.984 7.093 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.857 9.197 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.081 9.125 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.877 10.114 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.073 8.045 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.144 8.910 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.183 7.131 4.717 1.00 0.00 H new ATOM 533 N ARG A 39 -1.373 8.994 3.207 1.00 0.00 N ATOM 534 CA ARG A 39 -2.561 9.113 2.371 1.00 0.00 C ATOM 535 C ARG A 39 -2.189 9.555 0.960 1.00 0.00 C ATOM 536 O ARG A 39 -1.012 9.590 0.600 1.00 0.00 O ATOM 537 CB ARG A 39 -3.548 10.105 2.987 1.00 0.00 C ATOM 538 CG ARG A 39 -4.015 9.714 4.379 1.00 0.00 C ATOM 539 CD ARG A 39 -4.973 10.744 4.955 1.00 0.00 C ATOM 540 NE ARG A 39 -4.356 12.064 5.063 1.00 0.00 N ATOM 541 CZ ARG A 39 -4.925 13.093 5.682 1.00 0.00 C ATOM 542 NH1 ARG A 39 -6.117 12.954 6.244 1.00 0.00 N ATOM 543 NH2 ARG A 39 -4.300 14.262 5.740 1.00 0.00 N ATOM 0 H ARG A 39 -1.239 9.766 3.860 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.034 8.133 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.081 11.089 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.416 10.194 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.506 8.741 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.153 9.610 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.859 10.808 4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.307 10.418 5.940 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.438 12.203 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.599 12.056 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.552 13.745 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.382 14.371 5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.738 15.051 6.215 1.00 0.00 H new ATOM 557 N GLY A 40 -3.200 9.895 0.167 1.00 0.00 N ATOM 558 CA GLY A 40 -2.958 10.328 -1.197 1.00 0.00 C ATOM 559 C GLY A 40 -2.356 9.232 -2.054 1.00 0.00 C ATOM 560 O GLY A 40 -2.585 9.184 -3.262 1.00 0.00 O ATOM 0 H GLY A 40 -4.181 9.878 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.896 10.659 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.288 11.188 -1.189 1.00 0.00 H new ATOM 564 N VAL A 41 -1.588 8.347 -1.426 1.00 0.00 N ATOM 565 CA VAL A 41 -0.957 7.243 -2.139 1.00 0.00 C ATOM 566 C VAL A 41 -1.570 5.907 -1.734 1.00 0.00 C ATOM 567 O VAL A 41 -2.224 5.801 -0.696 1.00 0.00 O ATOM 568 CB VAL A 41 0.560 7.198 -1.877 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.219 8.492 -2.331 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.840 6.935 -0.406 1.00 0.00 C ATOM 0 H VAL A 41 -1.388 8.373 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.129 7.413 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 41 0.986 6.379 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.291 8.442 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.049 8.632 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.790 9.331 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.917 6.907 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.401 7.731 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.403 5.979 -0.118 1.00 0.00 H new ATOM 580 N PRO A 42 -1.362 4.868 -2.556 1.00 0.00 N ATOM 581 CA PRO A 42 -1.889 3.526 -2.286 1.00 0.00 C ATOM 582 C PRO A 42 -1.230 2.882 -1.071 1.00 0.00 C ATOM 583 O PRO A 42 -0.007 2.898 -0.934 1.00 0.00 O ATOM 584 CB PRO A 42 -1.546 2.744 -3.557 1.00 0.00 C ATOM 585 CG PRO A 42 -0.391 3.471 -4.153 1.00 0.00 C ATOM 586 CD PRO A 42 -0.594 4.920 -3.811 1.00 0.00 C ATOM 0 HA PRO A 42 -2.955 3.545 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.287 1.711 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.392 2.715 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.552 3.103 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.354 3.326 -5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.355 5.439 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.139 5.446 -4.595 1.00 0.00 H new ATOM 594 N TRP A 43 -2.051 2.323 -0.187 1.00 0.00 N ATOM 595 CA TRP A 43 -1.547 1.687 1.024 1.00 0.00 C ATOM 596 C TRP A 43 -0.981 0.304 0.720 1.00 0.00 C ATOM 597 O TRP A 43 -0.004 -0.126 1.331 1.00 0.00 O ATOM 598 CB TRP A 43 -2.658 1.576 2.069 1.00 0.00 C ATOM 599 CG TRP A 43 -3.240 2.899 2.462 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.705 4.133 2.224 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.468 3.123 3.164 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.526 5.109 2.734 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.615 4.514 3.316 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.459 2.281 3.679 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.712 5.083 3.960 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.546 2.846 4.318 1.00 0.00 C ATOM 607 CH2 TRP A 43 -6.666 4.234 4.453 1.00 0.00 C ATOM 0 H TRP A 43 -3.066 2.298 -0.287 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.745 2.309 1.421 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.452 0.940 1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.263 1.083 2.957 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.773 4.315 1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.353 6.113 2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.376 1.209 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.806 6.154 4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.317 2.205 4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.529 4.644 4.957 1.00 0.00 H new ATOM 618 N CYS A 44 -1.606 -0.390 -0.227 1.00 0.00 N ATOM 619 CA CYS A 44 -1.172 -1.731 -0.601 1.00 0.00 C ATOM 620 C CYS A 44 -0.416 -1.708 -1.925 1.00 0.00 C ATOM 621 O CYS A 44 -1.013 -1.548 -2.990 1.00 0.00 O ATOM 622 CB CYS A 44 -2.378 -2.666 -0.702 1.00 0.00 C ATOM 623 SG CYS A 44 -1.950 -4.396 -1.078 1.00 0.00 S ATOM 0 H CYS A 44 -2.413 -0.046 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.498 -2.100 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.927 -2.635 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.049 -2.293 -1.475 1.00 0.00 H new ATOM 628 N PHE A 45 0.902 -1.860 -1.851 1.00 0.00 N ATOM 629 CA PHE A 45 1.745 -1.834 -3.042 1.00 0.00 C ATOM 630 C PHE A 45 2.591 -3.101 -3.143 1.00 0.00 C ATOM 631 O PHE A 45 2.383 -4.059 -2.398 1.00 0.00 O ATOM 632 CB PHE A 45 2.652 -0.603 -3.022 1.00 0.00 C ATOM 633 CG PHE A 45 3.523 -0.521 -1.801 1.00 0.00 C ATOM 634 CD1 PHE A 45 4.528 -1.451 -1.589 1.00 0.00 C ATOM 635 CD2 PHE A 45 3.333 0.481 -0.864 1.00 0.00 C ATOM 636 CE1 PHE A 45 5.331 -1.380 -0.467 1.00 0.00 C ATOM 637 CE2 PHE A 45 4.131 0.557 0.262 1.00 0.00 C ATOM 638 CZ PHE A 45 5.132 -0.375 0.461 1.00 0.00 C ATOM 0 H PHE A 45 1.410 -2.003 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 45 1.094 -1.785 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.284 -0.613 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.035 0.294 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.685 -2.240 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.552 1.212 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.113 -2.109 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.973 1.343 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.757 -0.318 1.340 1.00 0.00 H new ATOM 648 N TYR A 46 3.544 -3.098 -4.070 1.00 0.00 N ATOM 649 CA TYR A 46 4.417 -4.250 -4.274 1.00 0.00 C ATOM 650 C TYR A 46 5.692 -4.123 -3.446 1.00 0.00 C ATOM 651 O TYR A 46 6.057 -3.029 -3.013 1.00 0.00 O ATOM 652 CB TYR A 46 4.774 -4.391 -5.755 1.00 0.00 C ATOM 653 CG TYR A 46 3.574 -4.578 -6.655 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.937 -5.809 -6.751 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.077 -3.523 -7.410 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.840 -5.984 -7.573 1.00 0.00 C ATOM 657 CE2 TYR A 46 1.981 -3.689 -8.234 1.00 0.00 C ATOM 658 CZ TYR A 46 1.366 -4.920 -8.313 1.00 0.00 C ATOM 659 OH TYR A 46 0.273 -5.090 -9.132 1.00 0.00 O ATOM 0 H TYR A 46 3.732 -2.311 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 46 3.879 -5.140 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.321 -3.504 -6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.445 -5.241 -5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.306 -6.644 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.556 -2.557 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.357 -6.948 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.608 -2.858 -8.814 1.00 0.00 H new ATOM 0 HH TYR A 46 0.067 -4.244 -9.582 1.00 0.00 H new ATOM 669 N PRO A 47 6.388 -5.248 -3.224 1.00 0.00 N ATOM 670 CA PRO A 47 7.637 -5.268 -2.456 1.00 0.00 C ATOM 671 C PRO A 47 8.791 -4.619 -3.211 1.00 0.00 C ATOM 672 O PRO A 47 8.577 -3.815 -4.118 1.00 0.00 O ATOM 673 CB PRO A 47 7.902 -6.761 -2.253 1.00 0.00 C ATOM 674 CG PRO A 47 7.223 -7.425 -3.401 1.00 0.00 C ATOM 675 CD PRO A 47 6.012 -6.588 -3.708 1.00 0.00 C ATOM 0 HA PRO A 47 7.555 -4.705 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.971 -6.976 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.501 -7.109 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.885 -7.484 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.937 -8.446 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.789 -6.581 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.125 -6.964 -3.199 1.00 0.00 H new ATOM 683 N ASN A 48 10.014 -4.972 -2.829 1.00 0.00 N ATOM 684 CA ASN A 48 11.203 -4.421 -3.470 1.00 0.00 C ATOM 685 C ASN A 48 12.432 -5.268 -3.157 1.00 0.00 C ATOM 686 O ASN A 48 12.996 -5.183 -2.066 1.00 0.00 O ATOM 687 CB ASN A 48 11.432 -2.980 -3.013 1.00 0.00 C ATOM 688 CG ASN A 48 10.269 -2.071 -3.362 1.00 0.00 C ATOM 689 OD1 ASN A 48 10.238 -1.467 -4.434 1.00 0.00 O ATOM 690 ND2 ASN A 48 9.305 -1.969 -2.455 1.00 0.00 N ATOM 0 H ASN A 48 10.208 -5.636 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 48 11.042 -4.432 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.591 -2.965 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.341 -2.595 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.498 -1.372 -2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.372 -2.488 -1.579 1.00 0.00 H new ATOM 965 N CYS B 7 14.525 25.974 3.351 1.00 0.00 N ATOM 966 CA CYS B 7 13.207 26.513 3.665 1.00 0.00 C ATOM 967 C CYS B 7 12.152 25.411 3.666 1.00 0.00 C ATOM 968 O CYS B 7 10.965 25.675 3.855 1.00 0.00 O ATOM 969 CB CYS B 7 12.824 27.599 2.657 1.00 0.00 C ATOM 970 SG CYS B 7 13.982 29.004 2.601 1.00 0.00 S ATOM 0 HA CYS B 7 13.250 26.950 4.663 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.763 27.153 1.664 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.829 27.972 2.901 1.00 0.00 H new ATOM 975 N THR B 8 12.594 24.176 3.455 1.00 0.00 N ATOM 976 CA THR B 8 11.687 23.034 3.432 1.00 0.00 C ATOM 977 C THR B 8 11.598 22.375 4.803 1.00 0.00 C ATOM 978 O THR B 8 12.118 21.278 5.011 1.00 0.00 O ATOM 979 CB THR B 8 12.132 21.983 2.398 1.00 0.00 C ATOM 980 OG1 THR B 8 11.223 20.876 2.400 1.00 0.00 O ATOM 981 CG2 THR B 8 13.539 21.490 2.700 1.00 0.00 C ATOM 0 H THR B 8 13.574 23.940 3.298 1.00 0.00 H new ATOM 0 HA THR B 8 10.706 23.416 3.151 1.00 0.00 H new ATOM 0 HB THR B 8 12.130 22.451 1.414 1.00 0.00 H new ATOM 0 HG1 THR B 8 11.513 20.214 1.739 1.00 0.00 H new ATOM 0 HG21 THR B 8 13.832 20.748 1.957 1.00 0.00 H new ATOM 0 HG22 THR B 8 14.233 22.330 2.668 1.00 0.00 H new ATOM 0 HG23 THR B 8 13.561 21.038 3.692 1.00 0.00 H new ATOM 989 N VAL B 9 10.939 23.052 5.738 1.00 0.00 N ATOM 990 CA VAL B 9 10.791 22.535 7.094 1.00 0.00 C ATOM 991 C VAL B 9 9.352 22.115 7.369 1.00 0.00 C ATOM 992 O VAL B 9 8.457 22.360 6.559 1.00 0.00 O ATOM 993 CB VAL B 9 11.216 23.579 8.143 1.00 0.00 C ATOM 994 CG1 VAL B 9 11.061 23.018 9.548 1.00 0.00 C ATOM 995 CG2 VAL B 9 12.646 24.033 7.896 1.00 0.00 C ATOM 0 H VAL B 9 10.499 23.959 5.582 1.00 0.00 H new ATOM 0 HA VAL B 9 11.443 21.665 7.172 1.00 0.00 H new ATOM 0 HB VAL B 9 10.563 24.447 8.050 1.00 0.00 H new ATOM 0 HG11 VAL B 9 11.366 23.770 10.276 1.00 0.00 H new ATOM 0 HG12 VAL B 9 10.019 22.749 9.719 1.00 0.00 H new ATOM 0 HG13 VAL B 9 11.687 22.132 9.657 1.00 0.00 H new ATOM 0 HG21 VAL B 9 12.928 24.771 8.647 1.00 0.00 H new ATOM 0 HG22 VAL B 9 13.316 23.176 7.959 1.00 0.00 H new ATOM 0 HG23 VAL B 9 12.720 24.479 6.904 1.00 0.00 H new ATOM 1005 N ALA B 10 9.134 21.487 8.519 1.00 0.00 N ATOM 1006 CA ALA B 10 7.800 21.052 8.914 1.00 0.00 C ATOM 1007 C ALA B 10 7.044 22.175 9.615 1.00 0.00 C ATOM 1008 O ALA B 10 7.558 22.793 10.548 1.00 0.00 O ATOM 1009 CB ALA B 10 7.890 19.829 9.816 1.00 0.00 C ATOM 0 H ALA B 10 9.866 21.268 9.195 1.00 0.00 H new ATOM 0 HA ALA B 10 7.248 20.785 8.013 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.887 19.514 10.104 1.00 0.00 H new ATOM 0 HB2 ALA B 10 8.385 19.018 9.281 1.00 0.00 H new ATOM 0 HB3 ALA B 10 8.463 20.077 10.710 1.00 0.00 H new ATOM 1015 N PRO B 11 5.813 22.456 9.165 1.00 0.00 N ATOM 1016 CA PRO B 11 4.988 23.523 9.728 1.00 0.00 C ATOM 1017 C PRO B 11 5.101 23.606 11.246 1.00 0.00 C ATOM 1018 O PRO B 11 5.052 24.693 11.823 1.00 0.00 O ATOM 1019 CB PRO B 11 3.580 23.109 9.312 1.00 0.00 C ATOM 1020 CG PRO B 11 3.768 22.408 8.008 1.00 0.00 C ATOM 1021 CD PRO B 11 5.129 21.757 8.062 1.00 0.00 C ATOM 0 HA PRO B 11 5.285 24.511 9.376 1.00 0.00 H new ATOM 0 HB2 PRO B 11 3.124 22.453 10.053 1.00 0.00 H new ATOM 0 HB3 PRO B 11 2.926 23.975 9.207 1.00 0.00 H new ATOM 0 HG2 PRO B 11 2.988 21.663 7.852 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.707 23.111 7.177 1.00 0.00 H new ATOM 0 HD2 PRO B 11 5.053 20.687 8.254 1.00 0.00 H new ATOM 0 HD3 PRO B 11 5.666 21.875 7.121 1.00 0.00 H new ATOM 1029 N ARG B 12 5.260 22.454 11.889 1.00 0.00 N ATOM 1030 CA ARG B 12 5.399 22.403 13.340 1.00 0.00 C ATOM 1031 C ARG B 12 6.865 22.503 13.750 1.00 0.00 C ATOM 1032 O ARG B 12 7.185 23.000 14.831 1.00 0.00 O ATOM 1033 CB ARG B 12 4.788 21.113 13.892 1.00 0.00 C ATOM 1034 CG ARG B 12 5.453 19.847 13.374 1.00 0.00 C ATOM 1035 CD ARG B 12 5.319 19.721 11.865 1.00 0.00 C ATOM 1036 NE ARG B 12 5.906 18.480 11.366 1.00 0.00 N ATOM 1037 CZ ARG B 12 5.694 18.005 10.143 1.00 0.00 C ATOM 1038 NH1 ARG B 12 4.912 18.664 9.300 1.00 0.00 N ATOM 1039 NH2 ARG B 12 6.265 16.869 9.764 1.00 0.00 N ATOM 0 H ARG B 12 5.296 21.544 11.429 1.00 0.00 H new ATOM 0 HA ARG B 12 4.864 23.255 13.759 1.00 0.00 H new ATOM 0 HB2 ARG B 12 4.854 21.128 14.980 1.00 0.00 H new ATOM 0 HB3 ARG B 12 3.729 21.086 13.637 1.00 0.00 H new ATOM 0 HG2 ARG B 12 6.508 19.852 13.647 1.00 0.00 H new ATOM 0 HG3 ARG B 12 5.004 18.977 13.854 1.00 0.00 H new ATOM 0 HD2 ARG B 12 4.265 19.760 11.590 1.00 0.00 H new ATOM 0 HD3 ARG B 12 5.805 20.571 11.386 1.00 0.00 H new ATOM 0 HE ARG B 12 6.512 17.949 11.991 1.00 0.00 H new ATOM 0 HH11 ARG B 12 4.472 19.537 9.589 1.00 0.00 H new ATOM 0 HH12 ARG B 12 4.751 18.298 8.362 1.00 0.00 H new ATOM 0 HH21 ARG B 12 6.867 16.360 10.411 1.00 0.00 H new ATOM 0 HH22 ARG B 12 6.102 16.505 8.825 1.00 0.00 H new ATOM 1053 N GLU B 13 7.752 22.017 12.888 1.00 0.00 N ATOM 1054 CA GLU B 13 9.182 22.022 13.178 1.00 0.00 C ATOM 1055 C GLU B 13 9.867 23.233 12.552 1.00 0.00 C ATOM 1056 O GLU B 13 11.056 23.466 12.772 1.00 0.00 O ATOM 1057 CB GLU B 13 9.830 20.735 12.667 1.00 0.00 C ATOM 1058 CG GLU B 13 9.252 19.474 13.288 1.00 0.00 C ATOM 1059 CD GLU B 13 9.419 19.438 14.794 1.00 0.00 C ATOM 1060 OE1 GLU B 13 9.440 20.521 15.416 1.00 0.00 O ATOM 1061 OE2 GLU B 13 9.529 18.326 15.353 1.00 0.00 O ATOM 0 H GLU B 13 7.506 21.615 11.983 1.00 0.00 H new ATOM 0 HA GLU B 13 9.305 22.081 14.259 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.712 20.684 11.585 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.900 20.772 12.870 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.192 19.405 13.042 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.739 18.602 12.851 1.00 0.00 H new ATOM 1068 N ARG B 14 9.112 24.006 11.778 1.00 0.00 N ATOM 1069 CA ARG B 14 9.649 25.205 11.143 1.00 0.00 C ATOM 1070 C ARG B 14 10.087 26.220 12.193 1.00 0.00 C ATOM 1071 O ARG B 14 9.368 26.481 13.157 1.00 0.00 O ATOM 1072 CB ARG B 14 8.608 25.830 10.212 1.00 0.00 C ATOM 1073 CG ARG B 14 8.210 24.932 9.051 1.00 0.00 C ATOM 1074 CD ARG B 14 7.176 25.598 8.159 1.00 0.00 C ATOM 1075 NE ARG B 14 6.779 24.739 7.047 1.00 0.00 N ATOM 1076 CZ ARG B 14 5.936 25.114 6.091 1.00 0.00 C ATOM 1077 NH1 ARG B 14 5.406 26.329 6.110 1.00 0.00 N ATOM 1078 NH2 ARG B 14 5.623 24.275 5.113 1.00 0.00 N ATOM 0 H ARG B 14 8.129 23.825 11.575 1.00 0.00 H new ATOM 0 HA ARG B 14 10.519 24.916 10.554 1.00 0.00 H new ATOM 0 HB2 ARG B 14 7.718 26.077 10.790 1.00 0.00 H new ATOM 0 HB3 ARG B 14 9.002 26.766 9.817 1.00 0.00 H new ATOM 0 HG2 ARG B 14 9.093 24.684 8.463 1.00 0.00 H new ATOM 0 HG3 ARG B 14 7.810 23.994 9.436 1.00 0.00 H new ATOM 0 HD2 ARG B 14 6.297 25.854 8.751 1.00 0.00 H new ATOM 0 HD3 ARG B 14 7.581 26.532 7.769 1.00 0.00 H new ATOM 0 HE ARG B 14 7.171 23.798 7.002 1.00 0.00 H new ATOM 0 HH11 ARG B 14 5.645 26.978 6.860 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.759 26.615 5.375 1.00 0.00 H new ATOM 0 HH21 ARG B 14 6.030 23.340 5.094 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.976 24.565 4.380 1.00 0.00 H new ATOM 1092 N GLN B 15 11.277 26.781 12.005 1.00 0.00 N ATOM 1093 CA GLN B 15 11.826 27.738 12.959 1.00 0.00 C ATOM 1094 C GLN B 15 11.221 29.123 12.752 1.00 0.00 C ATOM 1095 O GLN B 15 11.835 29.994 12.136 1.00 0.00 O ATOM 1096 CB GLN B 15 13.349 27.808 12.824 1.00 0.00 C ATOM 1097 CG GLN B 15 14.013 28.717 13.846 1.00 0.00 C ATOM 1098 CD GLN B 15 13.887 28.197 15.266 1.00 0.00 C ATOM 1099 OE1 GLN B 15 14.740 28.463 16.114 1.00 0.00 O ATOM 1100 NE2 GLN B 15 12.826 27.445 15.533 1.00 0.00 N ATOM 0 H GLN B 15 11.878 26.590 11.203 1.00 0.00 H new ATOM 0 HA GLN B 15 11.572 27.398 13.963 1.00 0.00 H new ATOM 0 HB2 GLN B 15 13.760 26.803 12.923 1.00 0.00 H new ATOM 0 HB3 GLN B 15 13.600 28.158 11.823 1.00 0.00 H new ATOM 0 HG2 GLN B 15 15.068 28.827 13.596 1.00 0.00 H new ATOM 0 HG3 GLN B 15 13.567 29.710 13.787 1.00 0.00 H new ATOM 0 HE21 GLN B 15 12.143 27.249 14.801 1.00 0.00 H new ATOM 0 HE22 GLN B 15 12.694 27.064 16.470 1.00 0.00 H new ATOM 1109 N ASN B 16 10.014 29.318 13.274 1.00 0.00 N ATOM 1110 CA ASN B 16 9.329 30.600 13.159 1.00 0.00 C ATOM 1111 C ASN B 16 10.329 31.753 13.206 1.00 0.00 C ATOM 1112 O ASN B 16 11.290 31.720 13.974 1.00 0.00 O ATOM 1113 CB ASN B 16 8.300 30.746 14.284 1.00 0.00 C ATOM 1114 CG ASN B 16 7.443 31.989 14.139 1.00 0.00 C ATOM 1115 OD1 ASN B 16 6.279 32.005 14.542 1.00 0.00 O ATOM 1116 ND2 ASN B 16 8.014 33.039 13.563 1.00 0.00 N ATOM 0 H ASN B 16 9.490 28.604 13.781 1.00 0.00 H new ATOM 0 HA ASN B 16 8.814 30.633 12.199 1.00 0.00 H new ATOM 0 HB2 ASN B 16 7.657 29.866 14.298 1.00 0.00 H new ATOM 0 HB3 ASN B 16 8.818 30.777 15.242 1.00 0.00 H new ATOM 0 HD21 ASN B 16 7.486 33.903 13.440 1.00 0.00 H new ATOM 0 HD22 ASN B 16 8.981 32.982 13.244 1.00 0.00 H new ATOM 1123 N CYS B 17 10.105 32.764 12.371 1.00 0.00 N ATOM 1124 CA CYS B 17 10.998 33.917 12.309 1.00 0.00 C ATOM 1125 C CYS B 17 10.214 35.211 12.476 1.00 0.00 C ATOM 1126 O CYS B 17 10.777 36.304 12.429 1.00 0.00 O ATOM 1127 CB CYS B 17 11.756 33.931 10.981 1.00 0.00 C ATOM 1128 SG CYS B 17 12.831 35.386 10.752 1.00 0.00 S ATOM 0 H CYS B 17 9.314 32.808 11.729 1.00 0.00 H new ATOM 0 HA CYS B 17 11.717 33.838 13.125 1.00 0.00 H new ATOM 0 HB2 CYS B 17 12.364 33.029 10.913 1.00 0.00 H new ATOM 0 HB3 CYS B 17 11.036 33.893 10.164 1.00 0.00 H new ATOM 1133 N GLY B 18 8.910 35.073 12.675 1.00 0.00 N ATOM 1134 CA GLY B 18 8.057 36.228 12.858 1.00 0.00 C ATOM 1135 C GLY B 18 6.609 35.841 13.085 1.00 0.00 C ATOM 1136 O GLY B 18 6.314 34.956 13.887 1.00 0.00 O ATOM 0 H GLY B 18 8.427 34.176 12.713 1.00 0.00 H new ATOM 0 HA2 GLY B 18 8.413 36.809 13.708 1.00 0.00 H new ATOM 0 HA3 GLY B 18 8.126 36.871 11.981 1.00 0.00 H new ATOM 1140 N PHE B 19 5.707 36.503 12.371 1.00 0.00 N ATOM 1141 CA PHE B 19 4.283 36.206 12.476 1.00 0.00 C ATOM 1142 C PHE B 19 3.793 35.447 11.247 1.00 0.00 C ATOM 1143 O PHE B 19 4.479 35.389 10.226 1.00 0.00 O ATOM 1144 CB PHE B 19 3.480 37.496 12.656 1.00 0.00 C ATOM 1145 CG PHE B 19 3.663 38.485 11.540 1.00 0.00 C ATOM 1146 CD1 PHE B 19 4.824 39.237 11.449 1.00 0.00 C ATOM 1147 CD2 PHE B 19 2.676 38.665 10.586 1.00 0.00 C ATOM 1148 CE1 PHE B 19 4.995 40.150 10.426 1.00 0.00 C ATOM 1149 CE2 PHE B 19 2.840 39.577 9.561 1.00 0.00 C ATOM 1150 CZ PHE B 19 4.002 40.320 9.481 1.00 0.00 C ATOM 0 H PHE B 19 5.935 37.249 11.713 1.00 0.00 H new ATOM 0 HA PHE B 19 4.133 35.574 13.351 1.00 0.00 H new ATOM 0 HB2 PHE B 19 2.422 37.246 12.738 1.00 0.00 H new ATOM 0 HB3 PHE B 19 3.770 37.965 13.596 1.00 0.00 H new ATOM 0 HD1 PHE B 19 5.603 39.108 12.186 1.00 0.00 H new ATOM 0 HD2 PHE B 19 1.767 38.085 10.644 1.00 0.00 H new ATOM 0 HE1 PHE B 19 5.904 40.730 10.365 1.00 0.00 H new ATOM 0 HE2 PHE B 19 2.062 39.709 8.824 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.134 41.033 8.681 1.00 0.00 H new ATOM 1160 N PRO B 20 2.593 34.854 11.335 1.00 0.00 N ATOM 1161 CA PRO B 20 2.001 34.094 10.230 1.00 0.00 C ATOM 1162 C PRO B 20 1.622 34.986 9.052 1.00 0.00 C ATOM 1163 O PRO B 20 1.311 34.497 7.965 1.00 0.00 O ATOM 1164 CB PRO B 20 0.750 33.470 10.853 1.00 0.00 C ATOM 1165 CG PRO B 20 0.410 34.361 11.996 1.00 0.00 C ATOM 1166 CD PRO B 20 1.720 34.880 12.521 1.00 0.00 C ATOM 0 HA PRO B 20 2.698 33.362 9.821 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -0.067 33.420 10.134 1.00 0.00 H new ATOM 0 HB3 PRO B 20 0.942 32.451 11.189 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -0.233 35.180 11.674 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -0.131 33.815 12.769 1.00 0.00 H new ATOM 0 HD2 PRO B 20 1.621 35.887 12.926 1.00 0.00 H new ATOM 0 HD3 PRO B 20 2.110 34.252 13.322 1.00 0.00 H new ATOM 1174 N GLY B 21 1.650 36.295 9.276 1.00 0.00 N ATOM 1175 CA GLY B 21 1.307 37.234 8.225 1.00 0.00 C ATOM 1176 C GLY B 21 2.531 37.807 7.538 1.00 0.00 C ATOM 1177 O GLY B 21 2.442 38.318 6.421 1.00 0.00 O ATOM 0 H GLY B 21 1.904 36.722 10.167 1.00 0.00 H new ATOM 0 HA2 GLY B 21 0.680 36.735 7.486 1.00 0.00 H new ATOM 0 HA3 GLY B 21 0.717 38.047 8.647 1.00 0.00 H new ATOM 1181 N VAL B 22 3.677 37.725 8.207 1.00 0.00 N ATOM 1182 CA VAL B 22 4.923 38.241 7.655 1.00 0.00 C ATOM 1183 C VAL B 22 4.902 38.214 6.130 1.00 0.00 C ATOM 1184 O VAL B 22 4.411 37.262 5.524 1.00 0.00 O ATOM 1185 CB VAL B 22 6.136 37.436 8.156 1.00 0.00 C ATOM 1186 CG1 VAL B 22 6.253 37.528 9.669 1.00 0.00 C ATOM 1187 CG2 VAL B 22 6.033 35.985 7.710 1.00 0.00 C ATOM 0 H VAL B 22 3.768 37.306 9.132 1.00 0.00 H new ATOM 0 HA VAL B 22 5.016 39.272 7.996 1.00 0.00 H new ATOM 0 HB VAL B 22 7.038 37.865 7.720 1.00 0.00 H new ATOM 0 HG11 VAL B 22 7.116 36.952 10.003 1.00 0.00 H new ATOM 0 HG12 VAL B 22 6.377 38.571 9.962 1.00 0.00 H new ATOM 0 HG13 VAL B 22 5.350 37.127 10.129 1.00 0.00 H new ATOM 0 HG21 VAL B 22 6.899 35.431 8.073 1.00 0.00 H new ATOM 0 HG22 VAL B 22 5.123 35.543 8.116 1.00 0.00 H new ATOM 0 HG23 VAL B 22 6.004 35.940 6.621 1.00 0.00 H new ATOM 1197 N THR B 23 5.436 39.264 5.517 1.00 0.00 N ATOM 1198 CA THR B 23 5.475 39.362 4.063 1.00 0.00 C ATOM 1199 C THR B 23 6.900 39.213 3.541 1.00 0.00 C ATOM 1200 O THR B 23 7.847 39.099 4.317 1.00 0.00 O ATOM 1201 CB THR B 23 4.899 40.704 3.575 1.00 0.00 C ATOM 1202 OG1 THR B 23 5.660 41.790 4.116 1.00 0.00 O ATOM 1203 CG2 THR B 23 3.441 40.847 3.987 1.00 0.00 C ATOM 0 H THR B 23 5.848 40.060 6.004 1.00 0.00 H new ATOM 0 HA THR B 23 4.861 38.549 3.674 1.00 0.00 H new ATOM 0 HB THR B 23 4.958 40.726 2.487 1.00 0.00 H new ATOM 0 HG1 THR B 23 5.258 42.083 4.960 1.00 0.00 H new ATOM 0 HG21 THR B 23 3.055 41.802 3.632 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.858 40.035 3.551 1.00 0.00 H new ATOM 0 HG23 THR B 23 3.364 40.806 5.074 1.00 0.00 H new ATOM 1211 N PRO B 24 7.064 39.207 2.209 1.00 0.00 N ATOM 1212 CA PRO B 24 8.377 39.063 1.572 1.00 0.00 C ATOM 1213 C PRO B 24 9.391 40.075 2.097 1.00 0.00 C ATOM 1214 O PRO B 24 10.508 39.714 2.469 1.00 0.00 O ATOM 1215 CB PRO B 24 8.086 39.317 0.091 1.00 0.00 C ATOM 1216 CG PRO B 24 6.647 38.973 -0.076 1.00 0.00 C ATOM 1217 CD PRO B 24 5.979 39.340 1.220 1.00 0.00 C ATOM 0 HA PRO B 24 8.820 38.087 1.771 1.00 0.00 H new ATOM 0 HB2 PRO B 24 8.279 40.356 -0.178 1.00 0.00 H new ATOM 0 HB3 PRO B 24 8.717 38.700 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO B 24 6.209 39.522 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO B 24 6.522 37.912 -0.292 1.00 0.00 H new ATOM 0 HD2 PRO B 24 5.580 40.354 1.194 1.00 0.00 H new ATOM 0 HD3 PRO B 24 5.145 38.675 1.445 1.00 0.00 H new ATOM 1225 N SER B 25 8.997 41.344 2.120 1.00 0.00 N ATOM 1226 CA SER B 25 9.876 42.410 2.587 1.00 0.00 C ATOM 1227 C SER B 25 10.120 42.299 4.089 1.00 0.00 C ATOM 1228 O SER B 25 11.239 42.501 4.561 1.00 0.00 O ATOM 1229 CB SER B 25 9.273 43.777 2.256 1.00 0.00 C ATOM 1230 OG SER B 25 10.110 44.827 2.708 1.00 0.00 O ATOM 0 H SER B 25 8.074 41.659 1.821 1.00 0.00 H new ATOM 0 HA SER B 25 10.833 42.308 2.075 1.00 0.00 H new ATOM 0 HB2 SER B 25 9.127 43.862 1.179 1.00 0.00 H new ATOM 0 HB3 SER B 25 8.290 43.866 2.719 1.00 0.00 H new ATOM 0 HG SER B 25 9.703 45.690 2.483 1.00 0.00 H new ATOM 1236 N GLN B 26 9.066 41.983 4.832 1.00 0.00 N ATOM 1237 CA GLN B 26 9.162 41.864 6.283 1.00 0.00 C ATOM 1238 C GLN B 26 10.059 40.695 6.678 1.00 0.00 C ATOM 1239 O GLN B 26 10.845 40.794 7.619 1.00 0.00 O ATOM 1240 CB GLN B 26 7.770 41.681 6.893 1.00 0.00 C ATOM 1241 CG GLN B 26 6.827 42.839 6.611 1.00 0.00 C ATOM 1242 CD GLN B 26 5.456 42.637 7.226 1.00 0.00 C ATOM 1243 OE1 GLN B 26 4.558 42.075 6.600 1.00 0.00 O ATOM 1244 NE2 GLN B 26 5.287 43.096 8.462 1.00 0.00 N ATOM 0 H GLN B 26 8.135 41.805 4.455 1.00 0.00 H new ATOM 0 HA GLN B 26 9.604 42.783 6.668 1.00 0.00 H new ATOM 0 HB2 GLN B 26 7.330 40.762 6.505 1.00 0.00 H new ATOM 0 HB3 GLN B 26 7.868 41.557 7.971 1.00 0.00 H new ATOM 0 HG2 GLN B 26 7.263 43.760 6.998 1.00 0.00 H new ATOM 0 HG3 GLN B 26 6.723 42.964 5.533 1.00 0.00 H new ATOM 0 HE21 GLN B 26 6.059 43.556 8.945 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.386 42.988 8.927 1.00 0.00 H new ATOM 1253 N CYS B 27 9.932 39.586 5.956 1.00 0.00 N ATOM 1254 CA CYS B 27 10.717 38.392 6.246 1.00 0.00 C ATOM 1255 C CYS B 27 12.162 38.570 5.791 1.00 0.00 C ATOM 1256 O CYS B 27 13.097 38.183 6.492 1.00 0.00 O ATOM 1257 CB CYS B 27 10.100 37.172 5.560 1.00 0.00 C ATOM 1258 SG CYS B 27 10.935 35.599 5.947 1.00 0.00 S ATOM 0 H CYS B 27 9.293 39.490 5.167 1.00 0.00 H new ATOM 0 HA CYS B 27 10.711 38.235 7.325 1.00 0.00 H new ATOM 0 HB2 CYS B 27 9.052 37.096 5.851 1.00 0.00 H new ATOM 0 HB3 CYS B 27 10.121 37.326 4.481 1.00 0.00 H new ATOM 1263 N ALA B 28 12.338 39.162 4.613 1.00 0.00 N ATOM 1264 CA ALA B 28 13.667 39.397 4.066 1.00 0.00 C ATOM 1265 C ALA B 28 14.415 40.450 4.876 1.00 0.00 C ATOM 1266 O ALA B 28 15.635 40.381 5.025 1.00 0.00 O ATOM 1267 CB ALA B 28 13.571 39.820 2.608 1.00 0.00 C ATOM 0 H ALA B 28 11.575 39.487 4.020 1.00 0.00 H new ATOM 0 HA ALA B 28 14.228 38.464 4.126 1.00 0.00 H new ATOM 0 HB1 ALA B 28 14.572 39.992 2.212 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.084 39.033 2.032 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.988 40.738 2.533 1.00 0.00 H new ATOM 1273 N ASN B 29 13.675 41.420 5.404 1.00 0.00 N ATOM 1274 CA ASN B 29 14.269 42.474 6.216 1.00 0.00 C ATOM 1275 C ASN B 29 15.167 41.883 7.295 1.00 0.00 C ATOM 1276 O ASN B 29 16.206 42.450 7.636 1.00 0.00 O ATOM 1277 CB ASN B 29 13.174 43.330 6.858 1.00 0.00 C ATOM 1278 CG ASN B 29 13.740 44.449 7.710 1.00 0.00 C ATOM 1279 OD1 ASN B 29 14.826 44.961 7.442 1.00 0.00 O ATOM 1280 ND2 ASN B 29 13.002 44.835 8.744 1.00 0.00 N ATOM 0 H ASN B 29 12.665 41.497 5.284 1.00 0.00 H new ATOM 0 HA ASN B 29 14.877 43.103 5.566 1.00 0.00 H new ATOM 0 HB2 ASN B 29 12.544 43.755 6.077 1.00 0.00 H new ATOM 0 HB3 ASN B 29 12.535 42.696 7.473 1.00 0.00 H new ATOM 0 HD21 ASN B 29 13.330 45.584 9.353 1.00 0.00 H new ATOM 0 HD22 ASN B 29 12.107 44.382 8.929 1.00 0.00 H new ATOM 1287 N LYS B 30 14.769 40.727 7.816 1.00 0.00 N ATOM 1288 CA LYS B 30 15.559 40.027 8.821 1.00 0.00 C ATOM 1289 C LYS B 30 16.442 38.970 8.166 1.00 0.00 C ATOM 1290 O LYS B 30 17.589 38.769 8.564 1.00 0.00 O ATOM 1291 CB LYS B 30 14.640 39.374 9.856 1.00 0.00 C ATOM 1292 CG LYS B 30 15.378 38.622 10.955 1.00 0.00 C ATOM 1293 CD LYS B 30 16.211 39.556 11.820 1.00 0.00 C ATOM 1294 CE LYS B 30 17.392 40.130 11.054 1.00 0.00 C ATOM 1295 NZ LYS B 30 18.327 39.064 10.598 1.00 0.00 N ATOM 0 H LYS B 30 13.902 40.255 7.558 1.00 0.00 H new ATOM 0 HA LYS B 30 16.199 40.753 9.323 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.018 40.145 10.312 1.00 0.00 H new ATOM 0 HB3 LYS B 30 13.968 38.684 9.346 1.00 0.00 H new ATOM 0 HG2 LYS B 30 14.658 38.094 11.580 1.00 0.00 H new ATOM 0 HG3 LYS B 30 16.025 37.868 10.507 1.00 0.00 H new ATOM 0 HD2 LYS B 30 15.584 40.370 12.185 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.573 39.016 12.695 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.029 40.688 10.191 1.00 0.00 H new ATOM 0 HE3 LYS B 30 17.928 40.836 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.308 39.369 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 18.143 38.190 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.184 38.888 9.583 1.00 0.00 H new ATOM 1309 N GLY B 31 15.901 38.308 7.149 1.00 0.00 N ATOM 1310 CA GLY B 31 16.661 37.302 6.429 1.00 0.00 C ATOM 1311 C GLY B 31 16.201 35.893 6.742 1.00 0.00 C ATOM 1312 O GLY B 31 16.994 35.056 7.174 1.00 0.00 O ATOM 0 H GLY B 31 14.949 38.450 6.810 1.00 0.00 H new ATOM 0 HA2 GLY B 31 16.570 37.481 5.358 1.00 0.00 H new ATOM 0 HA3 GLY B 31 17.717 37.400 6.680 1.00 0.00 H new ATOM 1316 N CYS B 32 14.919 35.625 6.514 1.00 0.00 N ATOM 1317 CA CYS B 32 14.361 34.299 6.754 1.00 0.00 C ATOM 1318 C CYS B 32 13.577 33.810 5.541 1.00 0.00 C ATOM 1319 O CYS B 32 13.426 34.530 4.554 1.00 0.00 O ATOM 1320 CB CYS B 32 13.453 34.317 7.985 1.00 0.00 C ATOM 1321 SG CYS B 32 14.313 34.707 9.543 1.00 0.00 S ATOM 0 H CYS B 32 14.248 36.308 6.164 1.00 0.00 H new ATOM 0 HA CYS B 32 15.189 33.613 6.931 1.00 0.00 H new ATOM 0 HB2 CYS B 32 12.661 35.049 7.827 1.00 0.00 H new ATOM 0 HB3 CYS B 32 12.973 33.343 8.082 1.00 0.00 H new ATOM 1326 N CYS B 33 13.074 32.584 5.627 1.00 0.00 N ATOM 1327 CA CYS B 33 12.287 32.000 4.547 1.00 0.00 C ATOM 1328 C CYS B 33 10.851 32.508 4.583 1.00 0.00 C ATOM 1329 O CYS B 33 10.352 32.911 5.633 1.00 0.00 O ATOM 1330 CB CYS B 33 12.298 30.474 4.647 1.00 0.00 C ATOM 1331 SG CYS B 33 13.953 29.727 4.497 1.00 0.00 S ATOM 0 H CYS B 33 13.197 31.974 6.435 1.00 0.00 H new ATOM 0 HA CYS B 33 12.738 32.301 3.601 1.00 0.00 H new ATOM 0 HB2 CYS B 33 11.865 30.181 5.603 1.00 0.00 H new ATOM 0 HB3 CYS B 33 11.655 30.065 3.867 1.00 0.00 H new ATOM 1336 N PHE B 34 10.188 32.480 3.431 1.00 0.00 N ATOM 1337 CA PHE B 34 8.798 32.913 3.338 1.00 0.00 C ATOM 1338 C PHE B 34 7.943 31.851 2.656 1.00 0.00 C ATOM 1339 O PHE B 34 8.125 31.558 1.474 1.00 0.00 O ATOM 1340 CB PHE B 34 8.701 34.232 2.570 1.00 0.00 C ATOM 1341 CG PHE B 34 7.299 34.758 2.458 1.00 0.00 C ATOM 1342 CD1 PHE B 34 6.445 34.290 1.472 1.00 0.00 C ATOM 1343 CD2 PHE B 34 6.833 35.719 3.341 1.00 0.00 C ATOM 1344 CE1 PHE B 34 5.153 34.771 1.368 1.00 0.00 C ATOM 1345 CE2 PHE B 34 5.542 36.204 3.242 1.00 0.00 C ATOM 1346 CZ PHE B 34 4.702 35.729 2.255 1.00 0.00 C ATOM 0 H PHE B 34 10.591 32.162 2.549 1.00 0.00 H new ATOM 0 HA PHE B 34 8.423 33.063 4.350 1.00 0.00 H new ATOM 0 HB2 PHE B 34 9.322 34.978 3.065 1.00 0.00 H new ATOM 0 HB3 PHE B 34 9.109 34.091 1.569 1.00 0.00 H new ATOM 0 HD1 PHE B 34 6.793 33.541 0.777 1.00 0.00 H new ATOM 0 HD2 PHE B 34 7.486 36.093 4.116 1.00 0.00 H new ATOM 0 HE1 PHE B 34 4.498 34.398 0.595 1.00 0.00 H new ATOM 0 HE2 PHE B 34 5.191 36.954 3.936 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.693 36.106 2.176 1.00 0.00 H new ATOM 1356 N ASP B 35 7.008 31.277 3.407 1.00 0.00 N ATOM 1357 CA ASP B 35 6.128 30.244 2.875 1.00 0.00 C ATOM 1358 C ASP B 35 4.681 30.490 3.293 1.00 0.00 C ATOM 1359 O ASP B 35 4.259 30.078 4.374 1.00 0.00 O ATOM 1360 CB ASP B 35 6.580 28.863 3.350 1.00 0.00 C ATOM 1361 CG ASP B 35 5.697 27.750 2.820 1.00 0.00 C ATOM 1362 OD1 ASP B 35 5.997 27.222 1.728 1.00 0.00 O ATOM 1363 OD2 ASP B 35 4.707 27.403 3.499 1.00 0.00 O ATOM 0 H ASP B 35 6.841 31.510 4.386 1.00 0.00 H new ATOM 0 HA ASP B 35 6.184 30.282 1.787 1.00 0.00 H new ATOM 0 HB2 ASP B 35 7.608 28.691 3.030 1.00 0.00 H new ATOM 0 HB3 ASP B 35 6.576 28.838 4.440 1.00 0.00 H new ATOM 1368 N ASP B 36 3.926 31.162 2.430 1.00 0.00 N ATOM 1369 CA ASP B 36 2.525 31.455 2.706 1.00 0.00 C ATOM 1370 C ASP B 36 1.619 30.364 2.147 1.00 0.00 C ATOM 1371 O ASP B 36 0.435 30.591 1.901 1.00 0.00 O ATOM 1372 CB ASP B 36 2.139 32.809 2.109 1.00 0.00 C ATOM 1373 CG ASP B 36 2.323 32.851 0.605 1.00 0.00 C ATOM 1374 OD1 ASP B 36 2.190 31.791 -0.040 1.00 0.00 O ATOM 1375 OD2 ASP B 36 2.602 33.946 0.071 1.00 0.00 O ATOM 0 H ASP B 36 4.261 31.514 1.533 1.00 0.00 H new ATOM 0 HA ASP B 36 2.394 31.491 3.788 1.00 0.00 H new ATOM 0 HB2 ASP B 36 1.099 33.027 2.351 1.00 0.00 H new ATOM 0 HB3 ASP B 36 2.744 33.591 2.568 1.00 0.00 H new ATOM 1380 N THR B 37 2.184 29.177 1.947 1.00 0.00 N ATOM 1381 CA THR B 37 1.426 28.051 1.416 1.00 0.00 C ATOM 1382 C THR B 37 0.940 27.136 2.535 1.00 0.00 C ATOM 1383 O THR B 37 0.154 26.218 2.303 1.00 0.00 O ATOM 1384 CB THR B 37 2.268 27.225 0.425 1.00 0.00 C ATOM 1385 OG1 THR B 37 3.434 26.712 1.081 1.00 0.00 O ATOM 1386 CG2 THR B 37 2.684 28.072 -0.768 1.00 0.00 C ATOM 0 H THR B 37 3.163 28.971 2.145 1.00 0.00 H new ATOM 0 HA THR B 37 0.566 28.469 0.893 1.00 0.00 H new ATOM 0 HB THR B 37 1.658 26.396 0.067 1.00 0.00 H new ATOM 0 HG1 THR B 37 4.214 27.250 0.830 1.00 0.00 H new ATOM 0 HG21 THR B 37 3.277 27.468 -1.454 1.00 0.00 H new ATOM 0 HG22 THR B 37 1.795 28.438 -1.282 1.00 0.00 H new ATOM 0 HG23 THR B 37 3.278 28.919 -0.424 1.00 0.00 H new ATOM 1394 N VAL B 38 1.414 27.395 3.750 1.00 0.00 N ATOM 1395 CA VAL B 38 1.030 26.594 4.906 1.00 0.00 C ATOM 1396 C VAL B 38 0.399 27.462 5.990 1.00 0.00 C ATOM 1397 O VAL B 38 1.091 28.210 6.680 1.00 0.00 O ATOM 1398 CB VAL B 38 2.239 25.849 5.501 1.00 0.00 C ATOM 1399 CG1 VAL B 38 1.819 25.021 6.705 1.00 0.00 C ATOM 1400 CG2 VAL B 38 2.896 24.972 4.446 1.00 0.00 C ATOM 0 H VAL B 38 2.064 28.153 3.959 1.00 0.00 H new ATOM 0 HA VAL B 38 0.300 25.864 4.556 1.00 0.00 H new ATOM 0 HB VAL B 38 2.968 26.587 5.835 1.00 0.00 H new ATOM 0 HG11 VAL B 38 2.688 24.502 7.111 1.00 0.00 H new ATOM 0 HG12 VAL B 38 1.398 25.676 7.468 1.00 0.00 H new ATOM 0 HG13 VAL B 38 1.070 24.290 6.401 1.00 0.00 H new ATOM 0 HG21 VAL B 38 3.749 24.453 4.884 1.00 0.00 H new ATOM 0 HG22 VAL B 38 2.175 24.241 4.080 1.00 0.00 H new ATOM 0 HG23 VAL B 38 3.236 25.593 3.617 1.00 0.00 H new ATOM 1410 N ARG B 39 -0.918 27.355 6.136 1.00 0.00 N ATOM 1411 CA ARG B 39 -1.640 28.129 7.139 1.00 0.00 C ATOM 1412 C ARG B 39 -1.459 27.526 8.527 1.00 0.00 C ATOM 1413 O ARG B 39 -0.750 26.534 8.696 1.00 0.00 O ATOM 1414 CB ARG B 39 -3.128 28.195 6.788 1.00 0.00 C ATOM 1415 CG ARG B 39 -3.407 28.839 5.439 1.00 0.00 C ATOM 1416 CD ARG B 39 -4.898 28.897 5.148 1.00 0.00 C ATOM 1417 NE ARG B 39 -5.179 29.513 3.854 1.00 0.00 N ATOM 1418 CZ ARG B 39 -6.386 29.925 3.481 1.00 0.00 C ATOM 1419 NH1 ARG B 39 -7.418 29.788 4.303 1.00 0.00 N ATOM 1420 NH2 ARG B 39 -6.561 30.475 2.288 1.00 0.00 N ATOM 0 H ARG B 39 -1.506 26.741 5.573 1.00 0.00 H new ATOM 0 HA ARG B 39 -1.230 29.139 7.146 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -3.539 27.185 6.791 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.651 28.754 7.564 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -2.992 29.847 5.423 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -2.904 28.275 4.654 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.311 27.888 5.167 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.399 29.461 5.935 1.00 0.00 H new ATOM 0 HE ARG B 39 -4.406 29.634 3.200 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.285 29.366 5.222 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.344 30.105 4.016 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -5.769 30.582 1.655 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -7.488 30.791 2.003 1.00 0.00 H new ATOM 1434 N GLY B 40 -2.101 28.133 9.520 1.00 0.00 N ATOM 1435 CA GLY B 40 -1.986 27.648 10.883 1.00 0.00 C ATOM 1436 C GLY B 40 -0.612 27.900 11.472 1.00 0.00 C ATOM 1437 O GLY B 40 -0.490 28.324 12.622 1.00 0.00 O ATOM 0 H GLY B 40 -2.699 28.952 9.405 1.00 0.00 H new ATOM 0 HA2 GLY B 40 -2.739 28.134 11.503 1.00 0.00 H new ATOM 0 HA3 GLY B 40 -2.197 26.579 10.904 1.00 0.00 H new ATOM 1441 N VAL B 41 0.424 27.646 10.680 1.00 0.00 N ATOM 1442 CA VAL B 41 1.797 27.861 11.124 1.00 0.00 C ATOM 1443 C VAL B 41 2.394 29.103 10.471 1.00 0.00 C ATOM 1444 O VAL B 41 1.817 29.666 9.541 1.00 0.00 O ATOM 1445 CB VAL B 41 2.688 26.647 10.801 1.00 0.00 C ATOM 1446 CG1 VAL B 41 2.163 25.400 11.495 1.00 0.00 C ATOM 1447 CG2 VAL B 41 2.778 26.433 9.298 1.00 0.00 C ATOM 0 H VAL B 41 0.339 27.291 9.727 1.00 0.00 H new ATOM 0 HA VAL B 41 1.764 28.000 12.205 1.00 0.00 H new ATOM 0 HB VAL B 41 3.692 26.847 11.175 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.805 24.553 11.255 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.159 25.558 12.573 1.00 0.00 H new ATOM 0 HG13 VAL B 41 1.148 25.194 11.155 1.00 0.00 H new ATOM 0 HG21 VAL B 41 3.412 25.571 9.091 1.00 0.00 H new ATOM 0 HG22 VAL B 41 1.781 26.256 8.895 1.00 0.00 H new ATOM 0 HG23 VAL B 41 3.206 27.319 8.829 1.00 0.00 H new ATOM 1457 N PRO B 42 3.565 29.543 10.954 1.00 0.00 N ATOM 1458 CA PRO B 42 4.250 30.722 10.416 1.00 0.00 C ATOM 1459 C PRO B 42 4.796 30.484 9.013 1.00 0.00 C ATOM 1460 O PRO B 42 5.191 29.369 8.671 1.00 0.00 O ATOM 1461 CB PRO B 42 5.396 30.949 11.405 1.00 0.00 C ATOM 1462 CG PRO B 42 5.648 29.611 12.007 1.00 0.00 C ATOM 1463 CD PRO B 42 4.312 28.923 12.062 1.00 0.00 C ATOM 0 HA PRO B 42 3.578 31.575 10.319 1.00 0.00 H new ATOM 0 HB2 PRO B 42 6.284 31.330 10.901 1.00 0.00 H new ATOM 0 HB3 PRO B 42 5.123 31.680 12.166 1.00 0.00 H new ATOM 0 HG2 PRO B 42 6.356 29.040 11.407 1.00 0.00 H new ATOM 0 HG3 PRO B 42 6.079 29.706 13.004 1.00 0.00 H new ATOM 0 HD2 PRO B 42 4.409 27.846 11.929 1.00 0.00 H new ATOM 0 HD3 PRO B 42 3.817 29.082 13.020 1.00 0.00 H new ATOM 1471 N TRP B 43 4.816 31.538 8.203 1.00 0.00 N ATOM 1472 CA TRP B 43 5.322 31.443 6.839 1.00 0.00 C ATOM 1473 C TRP B 43 6.810 31.772 6.789 1.00 0.00 C ATOM 1474 O TRP B 43 7.570 31.144 6.052 1.00 0.00 O ATOM 1475 CB TRP B 43 4.547 32.384 5.913 1.00 0.00 C ATOM 1476 CG TRP B 43 3.083 32.074 5.842 1.00 0.00 C ATOM 1477 CD1 TRP B 43 2.485 30.875 6.104 1.00 0.00 C ATOM 1478 CD2 TRP B 43 2.032 32.977 5.480 1.00 0.00 C ATOM 1479 NE1 TRP B 43 1.126 30.978 5.930 1.00 0.00 N ATOM 1480 CE2 TRP B 43 0.824 32.259 5.547 1.00 0.00 C ATOM 1481 CE3 TRP B 43 1.996 34.325 5.108 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 -0.407 32.843 5.255 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 0.774 34.902 4.818 1.00 0.00 C ATOM 1484 CH2 TRP B 43 -0.413 34.163 4.894 1.00 0.00 C ATOM 0 H TRP B 43 4.488 32.467 8.468 1.00 0.00 H new ATOM 0 HA TRP B 43 5.182 30.417 6.498 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.678 33.410 6.257 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.972 32.328 4.911 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.004 29.977 6.404 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.452 30.224 6.064 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.906 34.904 5.049 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -1.323 32.274 5.312 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 0.734 35.941 4.528 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -1.352 34.644 4.663 1.00 0.00 H new ATOM 1495 N CYS B 44 7.221 32.752 7.587 1.00 0.00 N ATOM 1496 CA CYS B 44 8.623 33.146 7.651 1.00 0.00 C ATOM 1497 C CYS B 44 9.332 32.433 8.796 1.00 0.00 C ATOM 1498 O CYS B 44 8.935 32.550 9.955 1.00 0.00 O ATOM 1499 CB CYS B 44 8.744 34.661 7.824 1.00 0.00 C ATOM 1500 SG CYS B 44 10.460 35.268 7.893 1.00 0.00 S ATOM 0 H CYS B 44 6.604 33.287 8.198 1.00 0.00 H new ATOM 0 HA CYS B 44 9.100 32.858 6.714 1.00 0.00 H new ATOM 0 HB2 CYS B 44 8.229 35.152 6.998 1.00 0.00 H new ATOM 0 HB3 CYS B 44 8.230 34.953 8.739 1.00 0.00 H new ATOM 1505 N PHE B 45 10.380 31.688 8.463 1.00 0.00 N ATOM 1506 CA PHE B 45 11.133 30.940 9.461 1.00 0.00 C ATOM 1507 C PHE B 45 12.588 30.777 9.036 1.00 0.00 C ATOM 1508 O PHE B 45 12.950 31.076 7.898 1.00 0.00 O ATOM 1509 CB PHE B 45 10.499 29.567 9.684 1.00 0.00 C ATOM 1510 CG PHE B 45 10.414 28.737 8.435 1.00 0.00 C ATOM 1511 CD1 PHE B 45 9.348 28.883 7.562 1.00 0.00 C ATOM 1512 CD2 PHE B 45 11.401 27.812 8.132 1.00 0.00 C ATOM 1513 CE1 PHE B 45 9.267 28.121 6.411 1.00 0.00 C ATOM 1514 CE2 PHE B 45 11.326 27.048 6.983 1.00 0.00 C ATOM 1515 CZ PHE B 45 10.257 27.203 6.121 1.00 0.00 C ATOM 0 H PHE B 45 10.727 31.586 7.509 1.00 0.00 H new ATOM 0 HA PHE B 45 11.107 31.501 10.395 1.00 0.00 H new ATOM 0 HB2 PHE B 45 11.078 29.025 10.432 1.00 0.00 H new ATOM 0 HB3 PHE B 45 9.497 29.700 10.091 1.00 0.00 H new ATOM 0 HD1 PHE B 45 8.571 29.600 7.783 1.00 0.00 H new ATOM 0 HD2 PHE B 45 12.239 27.687 8.802 1.00 0.00 H new ATOM 0 HE1 PHE B 45 8.430 28.244 5.739 1.00 0.00 H new ATOM 0 HE2 PHE B 45 12.102 26.331 6.759 1.00 0.00 H new ATOM 0 HZ PHE B 45 10.196 26.607 5.222 1.00 0.00 H new ATOM 1525 N TYR B 46 13.418 30.299 9.956 1.00 0.00 N ATOM 1526 CA TYR B 46 14.834 30.093 9.677 1.00 0.00 C ATOM 1527 C TYR B 46 15.061 28.752 8.987 1.00 0.00 C ATOM 1528 O TYR B 46 14.257 27.829 9.122 1.00 0.00 O ATOM 1529 CB TYR B 46 15.645 30.159 10.972 1.00 0.00 C ATOM 1530 CG TYR B 46 15.511 31.476 11.702 1.00 0.00 C ATOM 1531 CD1 TYR B 46 16.336 32.550 11.395 1.00 0.00 C ATOM 1532 CD2 TYR B 46 14.558 31.645 12.699 1.00 0.00 C ATOM 1533 CE1 TYR B 46 16.216 33.755 12.060 1.00 0.00 C ATOM 1534 CE2 TYR B 46 14.431 32.847 13.369 1.00 0.00 C ATOM 1535 CZ TYR B 46 15.263 33.899 13.046 1.00 0.00 C ATOM 1536 OH TYR B 46 15.140 35.097 13.711 1.00 0.00 O ATOM 0 H TYR B 46 13.134 30.047 10.903 1.00 0.00 H new ATOM 0 HA TYR B 46 15.168 30.886 9.008 1.00 0.00 H new ATOM 0 HB2 TYR B 46 15.326 29.353 11.632 1.00 0.00 H new ATOM 0 HB3 TYR B 46 16.696 29.986 10.742 1.00 0.00 H new ATOM 0 HD1 TYR B 46 17.084 32.441 10.623 1.00 0.00 H new ATOM 0 HD2 TYR B 46 13.906 30.823 12.955 1.00 0.00 H new ATOM 0 HE1 TYR B 46 16.866 34.580 11.809 1.00 0.00 H new ATOM 0 HE2 TYR B 46 13.685 32.962 14.141 1.00 0.00 H new ATOM 0 HH TYR B 46 14.421 35.031 14.374 1.00 0.00 H new ATOM 1546 N PRO B 47 16.165 28.632 8.234 1.00 0.00 N ATOM 1547 CA PRO B 47 16.502 27.401 7.513 1.00 0.00 C ATOM 1548 C PRO B 47 16.919 26.276 8.453 1.00 0.00 C ATOM 1549 O PRO B 47 17.229 26.511 9.621 1.00 0.00 O ATOM 1550 CB PRO B 47 17.677 27.821 6.627 1.00 0.00 C ATOM 1551 CG PRO B 47 18.296 28.972 7.338 1.00 0.00 C ATOM 1552 CD PRO B 47 17.169 29.690 8.028 1.00 0.00 C ATOM 0 HA PRO B 47 15.651 27.007 6.958 1.00 0.00 H new ATOM 0 HB2 PRO B 47 18.389 27.005 6.500 1.00 0.00 H new ATOM 0 HB3 PRO B 47 17.339 28.107 5.631 1.00 0.00 H new ATOM 0 HG2 PRO B 47 19.040 28.631 8.058 1.00 0.00 H new ATOM 0 HG3 PRO B 47 18.809 29.632 6.639 1.00 0.00 H new ATOM 0 HD2 PRO B 47 17.491 30.128 8.973 1.00 0.00 H new ATOM 0 HD3 PRO B 47 16.777 30.503 7.417 1.00 0.00 H new