USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -120:sc= 0.817 USER MOD Set 2.2: A 79 ASN : amide:sc= 1.83 K(o=3.2,f=0.94) USER MOD Set 2.3: A 83 TYR OH : rot 63:sc= 0.592 USER MOD Set 3.1: A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 73 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0 X(o=-0.03,f=-0.03) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 7 SER OG : rot 40:sc= 0.0286 USER MOD Single : A 11 SER OG : rot 113:sc= 0.00317 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 20 MET CE :methyl -139:sc= 0 (180deg=-1.63) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 32 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0851 K(o=-0.085,f=-1.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.894 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 62 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.048) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 67 HIS : +bothHN:sc= 2.15 K(o=2.2,f=-7.4!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 77 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.967 K(o=0.97,f=-5.2!) USER MOD Single : A 82 ASN : amide:sc= -1.82 K(o=-1.8,f=-6.2!) USER MOD Single : A 89 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.8!) USER MOD Single : A 93 GLN : amide:sc= -0.944 X(o=-0.94,f=-0.47) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -166:sc= -0.486 (180deg=-0.831) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.636 1.483 2.885 1.00 1.06 N ATOM 80 CA SER A 7 -21.680 2.402 2.415 1.00 0.91 C ATOM 81 C SER A 7 -20.563 2.585 3.430 1.00 0.81 C ATOM 82 O SER A 7 -20.702 3.318 4.405 1.00 0.91 O ATOM 83 CB SER A 7 -22.398 3.703 2.121 1.00 1.01 C ATOM 84 OG SER A 7 -23.316 3.562 1.026 1.00 1.58 O ATOM 0 HA SER A 7 -21.208 2.034 1.504 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.938 4.031 3.010 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.668 4.478 1.888 1.00 1.01 H new ATOM 0 HG SER A 7 -23.766 2.694 1.086 1.00 1.58 H new ATOM 90 N PHE A 8 -19.471 1.907 3.207 1.00 0.75 N ATOM 91 CA PHE A 8 -18.324 2.026 4.066 1.00 0.70 C ATOM 92 C PHE A 8 -17.322 2.970 3.453 1.00 0.53 C ATOM 93 O PHE A 8 -17.005 2.874 2.262 1.00 0.54 O ATOM 94 CB PHE A 8 -17.674 0.664 4.318 1.00 0.85 C ATOM 95 CG PHE A 8 -18.556 -0.299 5.042 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.272 -1.260 4.356 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.678 -0.233 6.416 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.088 -2.135 5.022 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.494 -1.109 7.090 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.201 -2.061 6.391 1.00 0.96 C ATOM 0 H PHE A 8 -19.351 1.259 2.429 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.658 2.422 5.025 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.383 0.228 3.362 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.760 0.809 4.894 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.187 -1.322 3.281 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.126 0.515 6.966 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.642 -2.882 4.473 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.580 -1.051 8.165 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.845 -2.750 6.918 1.00 0.96 H new ATOM 110 N CYS A 9 -16.822 3.852 4.259 1.00 0.49 N ATOM 111 CA CYS A 9 -15.854 4.841 3.851 1.00 0.44 C ATOM 112 C CYS A 9 -14.475 4.216 3.906 1.00 0.37 C ATOM 113 O CYS A 9 -14.335 3.087 4.373 1.00 0.40 O ATOM 114 CB CYS A 9 -15.952 6.015 4.803 1.00 0.62 C ATOM 115 SG CYS A 9 -17.633 6.698 4.910 1.00 1.32 S ATOM 0 H CYS A 9 -17.077 3.913 5.245 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.041 5.187 2.835 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.629 5.700 5.795 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.267 6.798 4.478 1.00 0.62 H new ATOM 120 N ALA A 10 -13.458 4.944 3.496 1.00 0.35 N ATOM 121 CA ALA A 10 -12.141 4.363 3.379 1.00 0.35 C ATOM 122 C ALA A 10 -11.357 4.591 4.622 1.00 0.29 C ATOM 123 O ALA A 10 -11.318 5.709 5.147 1.00 0.34 O ATOM 124 CB ALA A 10 -11.385 4.963 2.208 1.00 0.45 C ATOM 0 H ALA A 10 -13.518 5.930 3.241 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.269 3.293 3.216 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.396 4.509 2.142 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.934 4.774 1.285 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.281 6.038 2.354 1.00 0.45 H new ATOM 130 N SER A 11 -10.786 3.538 5.110 1.00 0.27 N ATOM 131 CA SER A 11 -9.930 3.573 6.258 1.00 0.27 C ATOM 132 C SER A 11 -8.625 2.894 5.852 1.00 0.23 C ATOM 133 O SER A 11 -8.657 1.938 5.058 1.00 0.25 O ATOM 134 CB SER A 11 -10.589 2.818 7.394 1.00 0.37 C ATOM 135 OG SER A 11 -11.961 3.183 7.533 1.00 1.19 O ATOM 0 H SER A 11 -10.903 2.605 4.714 1.00 0.27 H new ATOM 0 HA SER A 11 -9.743 4.593 6.593 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.512 1.746 7.213 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.060 3.023 8.325 1.00 0.37 H new ATOM 0 HG SER A 11 -12.528 2.417 7.306 1.00 1.19 H new ATOM 141 N VAL A 12 -7.500 3.369 6.354 1.00 0.23 N ATOM 142 CA VAL A 12 -6.206 2.861 5.925 1.00 0.22 C ATOM 143 C VAL A 12 -5.342 2.441 7.114 1.00 0.24 C ATOM 144 O VAL A 12 -4.990 3.263 7.962 1.00 0.29 O ATOM 145 CB VAL A 12 -5.435 3.931 5.088 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.118 3.402 4.614 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.225 4.350 3.892 1.00 0.27 C ATOM 0 H VAL A 12 -7.454 4.105 7.059 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.401 1.985 5.306 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.274 4.786 5.744 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.605 4.169 4.034 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.506 3.126 5.473 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.282 2.524 3.989 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.664 5.095 3.328 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.414 3.483 3.259 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.174 4.778 4.215 1.00 0.27 H new ATOM 157 N GLN A 13 -5.033 1.168 7.178 1.00 0.24 N ATOM 158 CA GLN A 13 -4.126 0.630 8.163 1.00 0.29 C ATOM 159 C GLN A 13 -2.846 0.198 7.479 1.00 0.26 C ATOM 160 O GLN A 13 -2.877 -0.560 6.500 1.00 0.32 O ATOM 161 CB GLN A 13 -4.725 -0.579 8.883 1.00 0.40 C ATOM 162 CG GLN A 13 -5.900 -0.272 9.783 1.00 0.68 C ATOM 163 CD GLN A 13 -6.532 -1.530 10.353 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.866 -2.547 10.555 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.798 -1.475 10.634 1.00 2.06 N ATOM 0 H GLN A 13 -5.409 0.468 6.539 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.932 1.410 8.899 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.040 -1.308 8.136 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -3.944 -1.051 9.479 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.571 0.369 10.601 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.649 0.286 9.221 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.323 -0.619 10.456 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.268 -2.288 11.033 1.00 2.06 H new ATOM 174 N LEU A 14 -1.748 0.682 7.960 1.00 0.28 N ATOM 175 CA LEU A 14 -0.458 0.283 7.467 1.00 0.25 C ATOM 176 C LEU A 14 0.254 -0.499 8.526 1.00 0.25 C ATOM 177 O LEU A 14 -0.061 -0.372 9.706 1.00 0.33 O ATOM 178 CB LEU A 14 0.361 1.478 6.960 1.00 0.24 C ATOM 179 CG LEU A 14 0.003 1.949 5.547 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.661 3.267 5.222 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.458 0.917 4.545 1.00 0.25 C ATOM 0 H LEU A 14 -1.714 1.371 8.712 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.593 -0.361 6.598 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.227 2.311 7.650 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.418 1.212 6.982 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.078 2.080 5.499 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.386 3.572 4.212 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.330 4.024 5.933 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.744 3.159 5.286 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.204 1.250 3.539 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.537 0.786 4.622 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.038 -0.032 4.749 1.00 0.25 H new ATOM 193 N HIS A 15 1.179 -1.316 8.127 1.00 0.21 N ATOM 194 CA HIS A 15 1.860 -2.199 9.041 1.00 0.24 C ATOM 195 C HIS A 15 3.334 -2.093 8.815 1.00 0.21 C ATOM 196 O HIS A 15 3.774 -1.861 7.687 1.00 0.22 O ATOM 197 CB HIS A 15 1.425 -3.658 8.813 1.00 0.34 C ATOM 198 CG HIS A 15 -0.020 -3.960 9.111 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.459 -4.408 10.332 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.121 -3.901 8.326 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.754 -4.614 10.290 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.185 -4.315 9.081 1.00 0.83 N ATOM 0 H HIS A 15 1.488 -1.394 7.158 1.00 0.21 H new ATOM 0 HA HIS A 15 1.607 -1.910 10.061 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.626 -3.920 7.774 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.048 -4.305 9.431 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.154 -3.585 7.294 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.364 -4.969 11.108 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.151 -4.381 8.761 1.00 0.83 H new ATOM 211 N THR A 16 4.072 -2.223 9.902 1.00 0.26 N ATOM 212 CA THR A 16 5.513 -2.183 9.926 1.00 0.29 C ATOM 213 C THR A 16 6.083 -3.184 8.919 1.00 0.25 C ATOM 214 O THR A 16 5.631 -4.346 8.850 1.00 0.27 O ATOM 215 CB THR A 16 5.993 -2.552 11.347 1.00 0.38 C ATOM 216 OG1 THR A 16 5.296 -1.729 12.307 1.00 0.49 O ATOM 217 CG2 THR A 16 7.492 -2.333 11.493 1.00 0.47 C ATOM 0 H THR A 16 3.663 -2.365 10.826 1.00 0.26 H new ATOM 0 HA THR A 16 5.856 -1.183 9.660 1.00 0.29 H new ATOM 0 HB THR A 16 5.781 -3.607 11.523 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.594 -1.958 13.212 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.802 -2.601 12.503 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.023 -2.956 10.773 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.726 -1.285 11.307 1.00 0.47 H new ATOM 225 N ALA A 17 7.053 -2.717 8.146 1.00 0.28 N ATOM 226 CA ALA A 17 7.676 -3.500 7.110 1.00 0.30 C ATOM 227 C ALA A 17 8.405 -4.678 7.719 1.00 0.35 C ATOM 228 O ALA A 17 9.044 -4.546 8.771 1.00 0.40 O ATOM 229 CB ALA A 17 8.633 -2.635 6.312 1.00 0.37 C ATOM 0 H ALA A 17 7.428 -1.772 8.228 1.00 0.28 H new ATOM 0 HA ALA A 17 6.907 -3.879 6.437 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.100 -3.235 5.531 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.085 -1.810 5.857 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.403 -2.238 6.974 1.00 0.37 H new ATOM 235 N VAL A 18 8.345 -5.798 7.066 1.00 0.38 N ATOM 236 CA VAL A 18 8.930 -6.996 7.613 1.00 0.48 C ATOM 237 C VAL A 18 10.374 -7.155 7.153 1.00 0.56 C ATOM 238 O VAL A 18 10.681 -7.032 5.960 1.00 0.52 O ATOM 239 CB VAL A 18 8.083 -8.268 7.303 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.730 -8.182 7.998 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.876 -8.441 5.808 1.00 0.52 C ATOM 0 H VAL A 18 7.899 -5.914 6.156 1.00 0.38 H new ATOM 0 HA VAL A 18 8.932 -6.887 8.698 1.00 0.48 H new ATOM 0 HB VAL A 18 8.631 -9.132 7.678 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.148 -9.076 7.774 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.878 -8.107 9.075 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.194 -7.302 7.643 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.282 -9.336 5.624 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.354 -7.571 5.410 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.843 -8.540 5.316 1.00 0.52 H new ATOM 251 N GLU A 19 11.243 -7.410 8.119 1.00 0.72 N ATOM 252 CA GLU A 19 12.685 -7.460 7.907 1.00 0.84 C ATOM 253 C GLU A 19 13.129 -8.707 7.154 1.00 0.84 C ATOM 254 O GLU A 19 13.335 -9.774 7.752 1.00 0.96 O ATOM 255 CB GLU A 19 13.444 -7.378 9.233 1.00 1.06 C ATOM 256 CG GLU A 19 13.168 -6.139 10.059 1.00 1.72 C ATOM 257 CD GLU A 19 14.092 -6.049 11.246 1.00 2.02 C ATOM 258 OE1 GLU A 19 13.986 -6.887 12.174 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.960 -5.145 11.276 1.00 2.38 O ATOM 0 H GLU A 19 10.966 -7.590 9.084 1.00 0.72 H new ATOM 0 HA GLU A 19 12.924 -6.592 7.292 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.196 -8.256 9.830 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.513 -7.426 9.025 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.286 -5.252 9.437 1.00 1.72 H new ATOM 0 HG3 GLU A 19 12.134 -6.152 10.402 1.00 1.72 H new ATOM 266 N MET A 20 13.288 -8.560 5.875 1.00 0.79 N ATOM 267 CA MET A 20 13.775 -9.591 4.989 1.00 0.84 C ATOM 268 C MET A 20 14.099 -8.900 3.694 1.00 0.81 C ATOM 269 O MET A 20 13.503 -7.879 3.390 1.00 0.84 O ATOM 270 CB MET A 20 12.710 -10.694 4.779 1.00 0.88 C ATOM 271 CG MET A 20 11.404 -10.223 4.155 1.00 0.88 C ATOM 272 SD MET A 20 10.192 -11.556 4.015 1.00 0.88 S ATOM 273 CE MET A 20 8.856 -10.723 3.156 1.00 0.58 C ATOM 0 H MET A 20 13.076 -7.686 5.393 1.00 0.79 H new ATOM 0 HA MET A 20 14.651 -10.090 5.404 1.00 0.84 H new ATOM 0 HB2 MET A 20 13.136 -11.473 4.147 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.489 -11.152 5.743 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.986 -9.416 4.757 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.604 -9.811 3.166 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.902 -11.027 3.586 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.973 -9.644 3.260 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.880 -10.991 2.100 1.00 0.58 H new ATOM 283 N HIS A 21 15.082 -9.457 2.968 1.00 0.92 N ATOM 284 CA HIS A 21 15.685 -8.842 1.756 1.00 1.01 C ATOM 285 C HIS A 21 14.683 -8.426 0.717 1.00 0.82 C ATOM 286 O HIS A 21 14.933 -7.508 -0.049 1.00 0.95 O ATOM 287 CB HIS A 21 16.761 -9.731 1.133 1.00 1.24 C ATOM 288 CG HIS A 21 18.020 -9.816 1.934 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.339 -10.885 2.731 1.00 2.31 N ATOM 290 CD2 HIS A 21 19.056 -8.958 2.039 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.508 -10.681 3.291 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.966 -9.525 2.890 1.00 2.66 N ATOM 0 H HIS A 21 15.492 -10.361 3.203 1.00 0.92 H new ATOM 0 HA HIS A 21 16.154 -7.927 2.118 1.00 1.01 H new ATOM 0 HB2 HIS A 21 16.357 -10.735 1.003 1.00 1.24 H new ATOM 0 HB3 HIS A 21 17.000 -9.352 0.139 1.00 1.24 H new ATOM 0 HD2 HIS A 21 19.150 -8.003 1.544 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.008 -11.356 3.970 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.857 -9.112 3.166 1.00 2.66 H new ATOM 301 N HIS A 22 13.600 -9.135 0.651 1.00 0.67 N ATOM 302 CA HIS A 22 12.486 -8.745 -0.165 1.00 0.59 C ATOM 303 C HIS A 22 11.506 -8.078 0.755 1.00 0.49 C ATOM 304 O HIS A 22 10.725 -8.751 1.435 1.00 0.57 O ATOM 305 CB HIS A 22 11.827 -9.950 -0.847 1.00 0.76 C ATOM 306 CG HIS A 22 12.626 -10.569 -1.948 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.108 -10.835 -3.189 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.895 -11.011 -1.977 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.022 -11.414 -3.927 1.00 2.06 C ATOM 310 NE2 HIS A 22 14.119 -11.535 -3.214 1.00 2.46 N ATOM 0 H HIS A 22 13.460 -10.006 1.163 1.00 0.67 H new ATOM 0 HA HIS A 22 12.818 -8.081 -0.963 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.627 -10.711 -0.092 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.863 -9.638 -1.249 1.00 0.76 H new ATOM 0 HD2 HIS A 22 14.607 -10.960 -1.167 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.895 -11.738 -4.950 1.00 2.06 H new ATOM 0 HE2 HIS A 22 14.993 -11.952 -3.534 1.00 2.46 H new ATOM 319 N TRP A 23 11.494 -6.783 0.745 1.00 0.41 N ATOM 320 CA TRP A 23 10.752 -6.044 1.727 1.00 0.36 C ATOM 321 C TRP A 23 9.295 -5.970 1.380 1.00 0.32 C ATOM 322 O TRP A 23 8.915 -5.889 0.214 1.00 0.44 O ATOM 323 CB TRP A 23 11.368 -4.655 1.949 1.00 0.43 C ATOM 324 CG TRP A 23 12.690 -4.731 2.656 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.911 -5.004 2.109 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.913 -4.545 4.054 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.874 -5.021 3.094 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.285 -4.737 4.291 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.082 -4.239 5.129 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.840 -4.633 5.559 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.632 -4.133 6.386 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.998 -4.328 6.592 1.00 0.86 C ATOM 0 H TRP A 23 11.992 -6.209 0.065 1.00 0.41 H new ATOM 0 HA TRP A 23 10.818 -6.583 2.672 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.500 -4.159 0.987 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.680 -4.043 2.532 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.095 -5.180 1.059 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.865 -5.214 2.951 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.023 -4.087 4.979 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.896 -4.787 5.723 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.996 -3.895 7.226 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.399 -4.236 7.590 1.00 0.86 H new ATOM 343 N CYS A 24 8.489 -6.079 2.395 1.00 0.27 N ATOM 344 CA CYS A 24 7.064 -6.105 2.256 1.00 0.25 C ATOM 345 C CYS A 24 6.437 -5.213 3.299 1.00 0.23 C ATOM 346 O CYS A 24 6.740 -5.337 4.500 1.00 0.25 O ATOM 347 CB CYS A 24 6.544 -7.553 2.406 1.00 0.28 C ATOM 348 SG CYS A 24 4.723 -7.740 2.383 1.00 0.30 S ATOM 0 H CYS A 24 8.810 -6.154 3.360 1.00 0.27 H new ATOM 0 HA CYS A 24 6.792 -5.739 1.266 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.964 -8.157 1.602 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.922 -7.962 3.343 1.00 0.28 H new ATOM 353 N ILE A 25 5.640 -4.281 2.836 1.00 0.20 N ATOM 354 CA ILE A 25 4.868 -3.412 3.689 1.00 0.19 C ATOM 355 C ILE A 25 3.393 -3.787 3.517 1.00 0.18 C ATOM 356 O ILE A 25 2.770 -3.419 2.509 1.00 0.18 O ATOM 357 CB ILE A 25 5.052 -1.921 3.301 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.539 -1.539 3.328 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.250 -1.022 4.244 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.817 -0.113 2.908 1.00 0.30 C ATOM 0 H ILE A 25 5.508 -4.103 1.840 1.00 0.20 H new ATOM 0 HA ILE A 25 5.202 -3.534 4.719 1.00 0.19 H new ATOM 0 HB ILE A 25 4.679 -1.778 2.287 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.924 -1.691 4.336 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.089 -2.214 2.672 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.389 0.021 3.959 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.192 -1.278 4.179 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.596 -1.168 5.267 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.889 0.077 2.954 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.465 0.041 1.888 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.298 0.572 3.579 1.00 0.30 H new ATOM 372 N PRO A 26 2.836 -4.572 4.441 1.00 0.20 N ATOM 373 CA PRO A 26 1.443 -5.000 4.367 1.00 0.21 C ATOM 374 C PRO A 26 0.483 -3.854 4.688 1.00 0.21 C ATOM 375 O PRO A 26 0.689 -3.099 5.657 1.00 0.23 O ATOM 376 CB PRO A 26 1.331 -6.102 5.441 1.00 0.25 C ATOM 377 CG PRO A 26 2.734 -6.375 5.883 1.00 0.28 C ATOM 378 CD PRO A 26 3.504 -5.116 5.630 1.00 0.24 C ATOM 0 HA PRO A 26 1.177 -5.343 3.367 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.713 -5.774 6.277 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.866 -7.000 5.034 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.764 -6.644 6.939 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.161 -7.211 5.329 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.451 -4.430 6.476 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.560 -5.315 5.447 1.00 0.24 H new ATOM 386 N PHE A 27 -0.559 -3.725 3.904 1.00 0.23 N ATOM 387 CA PHE A 27 -1.532 -2.689 4.129 1.00 0.25 C ATOM 388 C PHE A 27 -2.917 -3.278 4.195 1.00 0.25 C ATOM 389 O PHE A 27 -3.154 -4.387 3.716 1.00 0.30 O ATOM 390 CB PHE A 27 -1.457 -1.563 3.070 1.00 0.27 C ATOM 391 CG PHE A 27 -1.769 -1.957 1.646 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.076 -1.941 1.174 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.758 -2.315 0.780 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.359 -2.281 -0.129 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.037 -2.656 -0.525 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.339 -2.641 -0.981 1.00 0.37 C ATOM 0 H PHE A 27 -0.754 -4.326 3.104 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.298 -2.228 5.088 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.146 -0.771 3.364 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.454 -1.138 3.095 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.879 -1.658 1.838 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.264 -2.328 1.129 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.379 -2.266 -0.483 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.235 -2.936 -1.192 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.558 -2.911 -2.004 1.00 0.37 H new ATOM 406 N SER A 28 -3.806 -2.582 4.825 1.00 0.25 N ATOM 407 CA SER A 28 -5.165 -3.004 4.931 1.00 0.28 C ATOM 408 C SER A 28 -6.083 -1.785 4.840 1.00 0.24 C ATOM 409 O SER A 28 -6.151 -0.959 5.752 1.00 0.27 O ATOM 410 CB SER A 28 -5.358 -3.761 6.247 1.00 0.41 C ATOM 411 OG SER A 28 -4.429 -4.845 6.323 1.00 0.88 O ATOM 0 H SER A 28 -3.607 -1.694 5.286 1.00 0.25 H new ATOM 0 HA SER A 28 -5.419 -3.678 4.113 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.213 -3.086 7.090 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.378 -4.139 6.313 1.00 0.41 H new ATOM 0 HG SER A 28 -4.555 -5.326 7.168 1.00 0.88 H new ATOM 417 N VAL A 29 -6.735 -1.661 3.730 1.00 0.23 N ATOM 418 CA VAL A 29 -7.628 -0.560 3.474 1.00 0.21 C ATOM 419 C VAL A 29 -9.050 -1.089 3.369 1.00 0.21 C ATOM 420 O VAL A 29 -9.288 -2.085 2.693 1.00 0.27 O ATOM 421 CB VAL A 29 -7.204 0.221 2.179 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.010 -0.726 1.019 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.243 1.257 1.803 1.00 0.26 C ATOM 0 H VAL A 29 -6.667 -2.327 2.960 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.576 0.149 4.300 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.261 0.723 2.398 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.717 -0.162 0.134 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.230 -1.447 1.264 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.943 -1.254 0.820 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.924 1.783 0.903 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.197 0.764 1.616 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.357 1.971 2.619 1.00 0.26 H new ATOM 433 N ASP A 30 -9.969 -0.469 4.054 1.00 0.27 N ATOM 434 CA ASP A 30 -11.341 -0.930 4.032 1.00 0.35 C ATOM 435 C ASP A 30 -12.269 0.154 3.566 1.00 0.37 C ATOM 436 O ASP A 30 -11.970 1.339 3.717 1.00 0.48 O ATOM 437 CB ASP A 30 -11.804 -1.504 5.387 1.00 0.51 C ATOM 438 CG ASP A 30 -11.899 -0.493 6.507 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.920 -0.303 7.244 1.00 1.39 O ATOM 440 OD2 ASP A 30 -12.941 0.182 6.628 1.00 1.30 O ATOM 0 H ASP A 30 -9.801 0.353 4.634 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.377 -1.751 3.316 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.781 -1.969 5.253 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.113 -2.292 5.686 1.00 0.51 H new ATOM 445 N GLY A 31 -13.350 -0.267 2.952 1.00 0.37 N ATOM 446 CA GLY A 31 -14.375 0.609 2.456 1.00 0.42 C ATOM 447 C GLY A 31 -15.270 -0.171 1.530 1.00 0.46 C ATOM 448 O GLY A 31 -14.942 -1.313 1.202 1.00 0.60 O ATOM 0 H GLY A 31 -13.542 -1.254 2.781 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.954 1.020 3.283 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.929 1.452 1.929 1.00 0.42 H new ATOM 452 N GLN A 32 -16.387 0.384 1.125 1.00 0.55 N ATOM 453 CA GLN A 32 -17.255 -0.331 0.203 1.00 0.64 C ATOM 454 C GLN A 32 -16.909 0.101 -1.225 1.00 0.61 C ATOM 455 O GLN A 32 -16.597 -0.756 -2.054 1.00 0.68 O ATOM 456 CB GLN A 32 -18.754 -0.184 0.575 1.00 0.76 C ATOM 457 CG GLN A 32 -19.712 -1.191 -0.089 1.00 0.99 C ATOM 458 CD GLN A 32 -20.015 -0.921 -1.552 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.018 0.227 -2.007 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.296 -1.967 -2.292 1.00 2.61 N ATOM 0 H GLN A 32 -16.717 1.307 1.408 1.00 0.55 H new ATOM 0 HA GLN A 32 -17.078 -1.404 0.275 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.851 -0.278 1.657 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.077 0.823 0.312 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.284 -2.189 -0.001 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.650 -1.197 0.466 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.284 -2.901 -1.881 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.527 -1.847 -3.278 1.00 2.61 H new ATOM 469 N PRO A 33 -16.965 1.423 -1.571 1.00 0.59 N ATOM 470 CA PRO A 33 -16.394 1.870 -2.817 1.00 0.62 C ATOM 471 C PRO A 33 -14.874 1.771 -2.693 1.00 0.53 C ATOM 472 O PRO A 33 -14.280 2.348 -1.753 1.00 0.44 O ATOM 473 CB PRO A 33 -16.841 3.335 -2.943 1.00 0.67 C ATOM 474 CG PRO A 33 -17.155 3.768 -1.557 1.00 0.78 C ATOM 475 CD PRO A 33 -17.623 2.541 -0.838 1.00 0.63 C ATOM 0 HA PRO A 33 -16.703 1.288 -3.685 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.054 3.951 -3.379 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.713 3.426 -3.591 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.276 4.193 -1.072 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -17.925 4.540 -1.554 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.330 2.557 0.212 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.709 2.452 -0.865 1.00 0.63 H new ATOM 483 N ALA A 34 -14.266 1.003 -3.578 1.00 0.62 N ATOM 484 CA ALA A 34 -12.839 0.769 -3.555 1.00 0.60 C ATOM 485 C ALA A 34 -12.096 2.083 -3.720 1.00 0.52 C ATOM 486 O ALA A 34 -12.209 2.735 -4.757 1.00 0.63 O ATOM 487 CB ALA A 34 -12.441 -0.217 -4.643 1.00 0.78 C ATOM 0 H ALA A 34 -14.753 0.523 -4.335 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.569 0.335 -2.593 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.364 -0.380 -4.610 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.957 -1.164 -4.482 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.717 0.186 -5.618 1.00 0.78 H new ATOM 493 N PRO A 35 -11.366 2.513 -2.695 1.00 0.39 N ATOM 494 CA PRO A 35 -10.659 3.778 -2.727 1.00 0.35 C ATOM 495 C PRO A 35 -9.386 3.695 -3.549 1.00 0.41 C ATOM 496 O PRO A 35 -8.679 2.679 -3.517 1.00 0.56 O ATOM 497 CB PRO A 35 -10.338 4.029 -1.261 1.00 0.29 C ATOM 498 CG PRO A 35 -10.195 2.670 -0.677 1.00 0.31 C ATOM 499 CD PRO A 35 -11.171 1.800 -1.410 1.00 0.37 C ATOM 0 HA PRO A 35 -11.245 4.572 -3.190 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.422 4.609 -1.148 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.133 4.591 -0.771 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.177 2.300 -0.796 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.408 2.680 0.392 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.778 0.795 -1.563 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.107 1.696 -0.862 1.00 0.37 H new ATOM 507 N SER A 36 -9.109 4.746 -4.278 1.00 0.39 N ATOM 508 CA SER A 36 -7.939 4.819 -5.113 1.00 0.44 C ATOM 509 C SER A 36 -6.693 4.959 -4.239 1.00 0.37 C ATOM 510 O SER A 36 -6.503 5.988 -3.568 1.00 0.41 O ATOM 511 CB SER A 36 -8.088 6.001 -6.058 1.00 0.57 C ATOM 512 OG SER A 36 -9.330 5.909 -6.752 1.00 1.37 O ATOM 0 H SER A 36 -9.694 5.581 -4.308 1.00 0.39 H new ATOM 0 HA SER A 36 -7.833 3.909 -5.703 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.042 6.935 -5.498 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.263 6.016 -6.770 1.00 0.57 H new ATOM 0 HG SER A 36 -9.423 6.673 -7.359 1.00 1.37 H new ATOM 518 N LEU A 37 -5.889 3.917 -4.222 1.00 0.33 N ATOM 519 CA LEU A 37 -4.697 3.861 -3.406 1.00 0.30 C ATOM 520 C LEU A 37 -3.533 4.515 -4.102 1.00 0.32 C ATOM 521 O LEU A 37 -3.255 4.238 -5.276 1.00 0.50 O ATOM 522 CB LEU A 37 -4.343 2.414 -3.084 1.00 0.32 C ATOM 523 CG LEU A 37 -5.384 1.620 -2.307 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.934 0.187 -2.166 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.596 2.235 -0.941 1.00 0.27 C ATOM 0 H LEU A 37 -6.047 3.078 -4.780 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.902 4.401 -2.482 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.146 1.894 -4.021 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.414 2.408 -2.515 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.328 1.645 -2.852 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.683 -0.376 -1.609 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.809 -0.254 -3.155 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.984 0.155 -1.632 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.343 1.659 -0.394 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.656 2.228 -0.389 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.942 3.262 -1.054 1.00 0.27 H new ATOM 537 N ARG A 38 -2.867 5.374 -3.397 1.00 0.23 N ATOM 538 CA ARG A 38 -1.707 6.062 -3.899 1.00 0.23 C ATOM 539 C ARG A 38 -0.656 6.109 -2.809 1.00 0.22 C ATOM 540 O ARG A 38 -0.981 6.338 -1.639 1.00 0.26 O ATOM 541 CB ARG A 38 -2.098 7.473 -4.344 1.00 0.28 C ATOM 542 CG ARG A 38 -0.959 8.331 -4.878 1.00 0.33 C ATOM 543 CD ARG A 38 -1.489 9.671 -5.341 1.00 1.28 C ATOM 544 NE ARG A 38 -2.515 9.515 -6.385 1.00 1.98 N ATOM 545 CZ ARG A 38 -3.658 10.214 -6.455 1.00 3.10 C ATOM 546 NH1 ARG A 38 -3.911 11.180 -5.575 1.00 3.72 N ATOM 547 NH2 ARG A 38 -4.537 9.946 -7.420 1.00 3.78 N ATOM 0 H ARG A 38 -3.114 5.625 -2.440 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.299 5.535 -4.762 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.862 7.393 -5.117 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.553 7.989 -3.498 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.208 8.477 -4.101 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.466 7.821 -5.706 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.911 10.209 -4.492 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -0.667 10.275 -5.725 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.343 8.821 -7.112 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -3.234 11.392 -4.842 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -4.782 11.708 -5.633 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -4.339 9.213 -8.101 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -5.408 10.474 -7.478 1.00 3.78 H new ATOM 561 N TRP A 39 0.570 5.854 -3.171 1.00 0.22 N ATOM 562 CA TRP A 39 1.658 5.886 -2.237 1.00 0.22 C ATOM 563 C TRP A 39 2.408 7.181 -2.369 1.00 0.20 C ATOM 564 O TRP A 39 2.942 7.506 -3.441 1.00 0.26 O ATOM 565 CB TRP A 39 2.642 4.746 -2.482 1.00 0.25 C ATOM 566 CG TRP A 39 2.114 3.374 -2.259 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.625 2.529 -3.203 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.051 2.674 -1.014 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.263 1.343 -2.628 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.508 1.404 -1.280 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.398 3.000 0.302 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.308 0.456 -0.281 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.202 2.059 1.291 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.660 0.803 0.997 1.00 0.26 C ATOM 0 H TRP A 39 0.843 5.618 -4.125 1.00 0.22 H new ATOM 0 HA TRP A 39 1.231 5.783 -1.240 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.999 4.815 -3.510 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.506 4.892 -1.834 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.535 2.760 -4.254 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.873 0.541 -3.123 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.811 3.969 0.538 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.892 -0.515 -0.504 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.471 2.296 2.310 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.516 0.091 1.796 1.00 0.26 H new ATOM 585 N LEU A 40 2.437 7.934 -1.332 1.00 0.25 N ATOM 586 CA LEU A 40 3.233 9.100 -1.330 1.00 0.24 C ATOM 587 C LEU A 40 4.443 8.758 -0.490 1.00 0.27 C ATOM 588 O LEU A 40 4.311 8.306 0.649 1.00 0.34 O ATOM 589 CB LEU A 40 2.455 10.279 -0.737 1.00 0.31 C ATOM 590 CG LEU A 40 3.033 11.671 -0.961 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.969 12.026 -2.431 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.286 12.701 -0.133 1.00 0.95 C ATOM 0 H LEU A 40 1.916 7.762 -0.472 1.00 0.25 H new ATOM 0 HA LEU A 40 3.523 9.402 -2.336 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.446 10.261 -1.149 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.364 10.119 0.337 1.00 0.31 H new ATOM 0 HG LEU A 40 4.076 11.672 -0.643 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.384 13.022 -2.583 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.546 11.301 -3.006 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.931 12.010 -2.764 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.714 13.688 -0.307 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.235 12.706 -0.420 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.372 12.450 0.924 1.00 0.95 H new ATOM 604 N PHE A 41 5.588 8.950 -1.031 1.00 0.28 N ATOM 605 CA PHE A 41 6.804 8.600 -0.381 1.00 0.35 C ATOM 606 C PHE A 41 7.553 9.838 0.024 1.00 0.38 C ATOM 607 O PHE A 41 8.185 10.502 -0.806 1.00 0.41 O ATOM 608 CB PHE A 41 7.665 7.691 -1.280 1.00 0.45 C ATOM 609 CG PHE A 41 9.036 7.413 -0.724 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.160 7.951 -1.329 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.195 6.647 0.412 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.411 7.731 -0.808 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.447 6.417 0.933 1.00 0.74 C ATOM 614 CZ PHE A 41 11.556 6.962 0.325 1.00 0.86 C ATOM 0 H PHE A 41 5.714 9.362 -1.955 1.00 0.28 H new ATOM 0 HA PHE A 41 6.567 8.037 0.522 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.145 6.745 -1.429 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.768 8.157 -2.260 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.051 8.550 -2.221 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.328 6.224 0.897 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.279 8.160 -1.286 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.560 5.809 1.819 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.539 6.786 0.737 1.00 0.86 H new ATOM 624 N ASN A 42 7.403 10.182 1.278 1.00 0.46 N ATOM 625 CA ASN A 42 8.115 11.275 1.935 1.00 0.57 C ATOM 626 C ASN A 42 7.819 12.629 1.248 1.00 0.53 C ATOM 627 O ASN A 42 8.600 13.573 1.317 1.00 0.69 O ATOM 628 CB ASN A 42 9.630 10.960 1.958 1.00 0.73 C ATOM 629 CG ASN A 42 10.388 11.679 3.053 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.484 11.168 4.170 1.00 1.79 O ATOM 631 ND2 ASN A 42 10.938 12.822 2.761 1.00 1.72 N ATOM 0 H ASN A 42 6.759 9.696 1.903 1.00 0.46 H new ATOM 0 HA ASN A 42 7.764 11.365 2.963 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.766 9.885 2.080 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.062 11.228 0.994 1.00 0.73 H new ATOM 0 HD21 ASN A 42 11.471 13.327 3.469 1.00 1.72 H new ATOM 0 HD22 ASN A 42 10.836 13.213 1.824 1.00 1.72 H new ATOM 638 N GLY A 43 6.672 12.712 0.603 1.00 0.45 N ATOM 639 CA GLY A 43 6.293 13.924 -0.075 1.00 0.51 C ATOM 640 C GLY A 43 6.320 13.802 -1.586 1.00 0.47 C ATOM 641 O GLY A 43 5.757 14.640 -2.279 1.00 0.61 O ATOM 0 H GLY A 43 5.992 11.954 0.537 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.290 14.210 0.241 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.964 14.727 0.229 1.00 0.51 H new ATOM 645 N SER A 44 6.952 12.775 -2.095 1.00 0.38 N ATOM 646 CA SER A 44 7.048 12.562 -3.530 1.00 0.40 C ATOM 647 C SER A 44 6.193 11.378 -3.900 1.00 0.33 C ATOM 648 O SER A 44 6.079 10.433 -3.140 1.00 0.28 O ATOM 649 CB SER A 44 8.526 12.334 -3.920 1.00 0.51 C ATOM 650 OG SER A 44 8.703 12.219 -5.337 1.00 1.37 O ATOM 0 H SER A 44 7.416 12.060 -1.534 1.00 0.38 H new ATOM 0 HA SER A 44 6.689 13.436 -4.073 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.130 13.161 -3.547 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.892 11.429 -3.436 1.00 0.51 H new ATOM 0 HG SER A 44 9.652 12.078 -5.538 1.00 1.37 H new ATOM 656 N VAL A 45 5.548 11.458 -5.035 1.00 0.41 N ATOM 657 CA VAL A 45 4.700 10.384 -5.503 1.00 0.41 C ATOM 658 C VAL A 45 5.551 9.174 -5.833 1.00 0.39 C ATOM 659 O VAL A 45 6.489 9.267 -6.636 1.00 0.45 O ATOM 660 CB VAL A 45 3.863 10.797 -6.745 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.102 9.619 -7.293 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.888 11.887 -6.397 1.00 0.70 C ATOM 0 H VAL A 45 5.593 12.263 -5.660 1.00 0.41 H new ATOM 0 HA VAL A 45 3.999 10.142 -4.704 1.00 0.41 H new ATOM 0 HB VAL A 45 4.559 11.163 -7.500 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.523 9.932 -8.162 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.803 8.837 -7.586 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.428 9.233 -6.528 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.314 12.158 -7.283 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.210 11.534 -5.620 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.432 12.760 -6.036 1.00 0.70 H new ATOM 672 N LEU A 46 5.248 8.064 -5.200 1.00 0.37 N ATOM 673 CA LEU A 46 5.980 6.850 -5.423 1.00 0.40 C ATOM 674 C LEU A 46 5.533 6.249 -6.731 1.00 0.44 C ATOM 675 O LEU A 46 4.336 5.986 -6.933 1.00 0.51 O ATOM 676 CB LEU A 46 5.737 5.847 -4.297 1.00 0.44 C ATOM 677 CG LEU A 46 6.492 4.516 -4.408 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.988 4.705 -4.198 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.920 3.492 -3.448 1.00 0.61 C ATOM 0 H LEU A 46 4.491 7.983 -4.521 1.00 0.37 H new ATOM 0 HA LEU A 46 7.045 7.081 -5.450 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.008 6.318 -3.352 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.669 5.634 -4.251 1.00 0.44 H new ATOM 0 HG LEU A 46 6.356 4.137 -5.421 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.492 3.742 -4.283 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.378 5.387 -4.953 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.167 5.121 -3.207 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.470 2.556 -3.544 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.008 3.862 -2.426 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.869 3.321 -3.682 1.00 0.61 H new ATOM 691 N ASN A 47 6.452 6.075 -7.620 1.00 0.54 N ATOM 692 CA ASN A 47 6.145 5.477 -8.877 1.00 0.59 C ATOM 693 C ASN A 47 6.409 4.003 -8.771 1.00 0.53 C ATOM 694 O ASN A 47 7.510 3.596 -8.374 1.00 0.64 O ATOM 695 CB ASN A 47 6.989 6.075 -10.010 1.00 0.79 C ATOM 696 CG ASN A 47 6.795 7.569 -10.212 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.618 8.084 -9.921 1.00 2.47 O flip ATOM 698 ND2 ASN A 47 7.712 8.263 -10.646 1.00 1.94 N flip ATOM 0 H ASN A 47 7.429 6.340 -7.499 1.00 0.54 H new ATOM 0 HA ASN A 47 5.099 5.669 -9.115 1.00 0.59 H new ATOM 0 HB2 ASN A 47 8.042 5.882 -9.804 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.746 5.560 -10.939 1.00 0.79 H new ATOM 0 HD21 ASN A 47 8.614 7.839 -10.863 1.00 1.94 H new ATOM 0 HD22 ASN A 47 7.571 9.263 -10.789 1.00 1.94 H new ATOM 705 N GLU A 48 5.409 3.209 -9.064 1.00 0.49 N ATOM 706 CA GLU A 48 5.552 1.776 -9.007 1.00 0.53 C ATOM 707 C GLU A 48 6.466 1.310 -10.119 1.00 0.53 C ATOM 708 O GLU A 48 6.283 1.671 -11.286 1.00 0.70 O ATOM 709 CB GLU A 48 4.207 1.091 -9.095 1.00 0.69 C ATOM 710 CG GLU A 48 3.270 1.447 -7.966 1.00 0.74 C ATOM 711 CD GLU A 48 1.976 0.717 -8.077 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.008 1.290 -8.621 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.889 -0.435 -7.611 1.00 1.74 O ATOM 0 H GLU A 48 4.484 3.533 -9.345 1.00 0.49 H new ATOM 0 HA GLU A 48 5.995 1.507 -8.048 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.737 1.354 -10.042 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.359 0.012 -9.103 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.742 1.210 -7.012 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.084 2.521 -7.971 1.00 0.74 H new ATOM 720 N THR A 49 7.429 0.531 -9.766 1.00 0.53 N ATOM 721 CA THR A 49 8.434 0.095 -10.675 1.00 0.58 C ATOM 722 C THR A 49 8.456 -1.424 -10.778 1.00 0.60 C ATOM 723 O THR A 49 7.524 -2.108 -10.321 1.00 0.65 O ATOM 724 CB THR A 49 9.813 0.600 -10.198 1.00 0.71 C ATOM 725 OG1 THR A 49 9.989 0.303 -8.800 1.00 1.57 O ATOM 726 CG2 THR A 49 9.974 2.086 -10.433 1.00 0.98 C ATOM 0 H THR A 49 7.543 0.171 -8.818 1.00 0.53 H new ATOM 0 HA THR A 49 8.208 0.503 -11.660 1.00 0.58 H new ATOM 0 HB THR A 49 10.577 0.084 -10.780 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.866 0.625 -8.505 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.956 2.405 -10.085 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.880 2.298 -11.498 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.202 2.627 -9.886 1.00 0.98 H new ATOM 734 N SER A 50 9.499 -1.952 -11.372 1.00 0.68 N ATOM 735 CA SER A 50 9.695 -3.369 -11.433 1.00 0.78 C ATOM 736 C SER A 50 10.319 -3.845 -10.106 1.00 0.72 C ATOM 737 O SER A 50 10.363 -5.041 -9.809 1.00 0.86 O ATOM 738 CB SER A 50 10.623 -3.676 -12.603 1.00 0.96 C ATOM 739 OG SER A 50 10.163 -3.012 -13.780 1.00 1.52 O ATOM 0 H SER A 50 10.232 -1.406 -11.825 1.00 0.68 H new ATOM 0 HA SER A 50 8.747 -3.887 -11.580 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.637 -3.354 -12.367 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.662 -4.752 -12.774 1.00 0.96 H new ATOM 0 HG SER A 50 10.766 -3.213 -14.526 1.00 1.52 H new ATOM 745 N PHE A 51 10.791 -2.889 -9.308 1.00 0.64 N ATOM 746 CA PHE A 51 11.421 -3.209 -8.042 1.00 0.68 C ATOM 747 C PHE A 51 10.480 -2.932 -6.882 1.00 0.55 C ATOM 748 O PHE A 51 10.410 -3.708 -5.942 1.00 0.61 O ATOM 749 CB PHE A 51 12.697 -2.385 -7.848 1.00 0.87 C ATOM 750 CG PHE A 51 13.678 -2.486 -8.979 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.277 -3.699 -9.278 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.009 -1.374 -9.733 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.183 -3.802 -10.310 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.914 -1.473 -10.768 1.00 1.37 C ATOM 755 CZ PHE A 51 15.477 -2.658 -11.080 1.00 1.52 C ATOM 0 H PHE A 51 10.746 -1.892 -9.520 1.00 0.64 H new ATOM 0 HA PHE A 51 11.670 -4.270 -8.061 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.422 -1.339 -7.714 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.186 -2.707 -6.929 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.031 -4.574 -8.695 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.554 -0.420 -9.509 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.662 -4.746 -10.526 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.175 -0.592 -11.335 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.153 -2.731 -11.919 1.00 1.52 H new ATOM 765 N ILE A 52 9.763 -1.833 -6.965 1.00 0.46 N ATOM 766 CA ILE A 52 8.844 -1.418 -5.920 1.00 0.39 C ATOM 767 C ILE A 52 7.443 -1.504 -6.502 1.00 0.37 C ATOM 768 O ILE A 52 7.078 -0.683 -7.340 1.00 0.43 O ATOM 769 CB ILE A 52 9.121 0.062 -5.502 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.617 0.277 -5.214 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.298 0.437 -4.270 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.979 1.707 -4.849 1.00 0.50 C ATOM 0 H ILE A 52 9.799 -1.197 -7.762 1.00 0.46 H new ATOM 0 HA ILE A 52 8.962 -2.054 -5.042 1.00 0.39 H new ATOM 0 HB ILE A 52 8.828 0.705 -6.332 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.918 -0.382 -4.399 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.191 -0.019 -6.092 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.505 1.471 -3.995 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.237 0.327 -4.494 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.564 -0.219 -3.441 1.00 0.41 H new ATOM 0 HD11 ILE A 52 12.051 1.774 -4.661 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.712 2.371 -5.671 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.434 2.003 -3.952 1.00 0.50 H new ATOM 784 N PHE A 53 6.684 -2.479 -6.096 1.00 0.33 N ATOM 785 CA PHE A 53 5.372 -2.699 -6.677 1.00 0.37 C ATOM 786 C PHE A 53 4.333 -3.064 -5.628 1.00 0.31 C ATOM 787 O PHE A 53 4.633 -3.755 -4.643 1.00 0.29 O ATOM 788 CB PHE A 53 5.451 -3.762 -7.795 1.00 0.48 C ATOM 789 CG PHE A 53 6.208 -5.025 -7.429 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.547 -5.162 -7.767 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.588 -6.063 -6.758 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.248 -6.305 -7.441 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.285 -7.211 -6.429 1.00 2.02 C ATOM 794 CZ PHE A 53 7.616 -7.332 -6.770 1.00 2.89 C ATOM 0 H PHE A 53 6.942 -3.141 -5.364 1.00 0.33 H new ATOM 0 HA PHE A 53 5.043 -1.759 -7.120 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.437 -4.036 -8.087 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.924 -3.314 -8.669 1.00 0.48 H new ATOM 0 HD1 PHE A 53 8.048 -4.362 -8.293 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.546 -5.976 -6.487 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.290 -6.396 -7.711 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.787 -8.013 -5.905 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.162 -8.228 -6.513 1.00 2.89 H new ATOM 804 N THR A 54 3.124 -2.584 -5.823 1.00 0.35 N ATOM 805 CA THR A 54 2.049 -2.856 -4.912 1.00 0.35 C ATOM 806 C THR A 54 1.396 -4.192 -5.265 1.00 0.35 C ATOM 807 O THR A 54 0.801 -4.344 -6.343 1.00 0.40 O ATOM 808 CB THR A 54 0.981 -1.747 -4.978 1.00 0.39 C ATOM 809 OG1 THR A 54 1.622 -0.471 -4.956 1.00 0.43 O ATOM 810 CG2 THR A 54 0.045 -1.837 -3.790 1.00 0.44 C ATOM 0 H THR A 54 2.866 -1.997 -6.616 1.00 0.35 H new ATOM 0 HA THR A 54 2.461 -2.895 -3.904 1.00 0.35 H new ATOM 0 HB THR A 54 0.409 -1.872 -5.897 1.00 0.39 H new ATOM 0 HG1 THR A 54 2.015 -0.287 -5.835 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.702 -1.046 -3.854 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.453 -2.807 -3.792 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.615 -1.723 -2.868 1.00 0.44 H new ATOM 818 N GLU A 55 1.542 -5.147 -4.395 1.00 0.36 N ATOM 819 CA GLU A 55 0.936 -6.437 -4.550 1.00 0.42 C ATOM 820 C GLU A 55 -0.442 -6.418 -3.969 1.00 0.44 C ATOM 821 O GLU A 55 -0.656 -5.853 -2.898 1.00 0.57 O ATOM 822 CB GLU A 55 1.754 -7.507 -3.846 1.00 0.60 C ATOM 823 CG GLU A 55 3.059 -7.832 -4.515 1.00 1.21 C ATOM 824 CD GLU A 55 2.861 -8.517 -5.834 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.761 -7.824 -6.866 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.812 -9.759 -5.881 1.00 2.04 O ATOM 0 H GLU A 55 2.095 -5.050 -3.543 1.00 0.36 H new ATOM 0 HA GLU A 55 0.892 -6.668 -5.614 1.00 0.42 H new ATOM 0 HB2 GLU A 55 1.954 -7.181 -2.825 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.158 -8.417 -3.779 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.627 -6.914 -4.665 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.652 -8.471 -3.861 1.00 1.21 H new ATOM 833 N PHE A 56 -1.360 -6.999 -4.670 1.00 0.52 N ATOM 834 CA PHE A 56 -2.718 -7.123 -4.214 1.00 0.62 C ATOM 835 C PHE A 56 -3.094 -8.574 -4.190 1.00 0.73 C ATOM 836 O PHE A 56 -2.639 -9.347 -5.043 1.00 0.87 O ATOM 837 CB PHE A 56 -3.688 -6.383 -5.130 1.00 0.68 C ATOM 838 CG PHE A 56 -3.591 -4.890 -5.102 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.330 -4.141 -4.201 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.736 -4.236 -5.966 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.217 -2.766 -4.167 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.619 -2.868 -5.942 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.464 -2.120 -5.059 1.00 0.61 C ATOM 0 H PHE A 56 -1.192 -7.409 -5.589 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.782 -6.685 -3.218 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.523 -6.721 -6.153 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.705 -6.668 -4.860 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.002 -4.639 -3.518 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.151 -4.808 -6.671 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.745 -2.206 -3.409 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -1.904 -2.366 -6.576 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.491 -1.042 -5.115 1.00 0.61 H new ATOM 853 N LEU A 57 -3.874 -8.956 -3.230 1.00 0.77 N ATOM 854 CA LEU A 57 -4.382 -10.294 -3.173 1.00 0.93 C ATOM 855 C LEU A 57 -5.896 -10.247 -3.103 1.00 1.04 C ATOM 856 O LEU A 57 -6.451 -9.153 -2.886 1.00 1.04 O ATOM 857 CB LEU A 57 -3.702 -11.165 -2.076 1.00 1.01 C ATOM 858 CG LEU A 57 -3.913 -10.827 -0.610 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.193 -11.472 -0.090 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.720 -11.276 0.209 1.00 1.16 C ATOM 0 H LEU A 57 -4.177 -8.354 -2.465 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.115 -10.818 -4.091 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -4.033 -12.193 -2.224 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.628 -11.146 -2.264 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.013 -9.746 -0.514 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.327 -11.219 0.962 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.044 -11.105 -0.663 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.124 -12.555 -0.196 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.884 -11.028 1.258 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.593 -12.354 0.107 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.823 -10.770 -0.147 1.00 1.16 H new ATOM 872 N GLU A 58 -6.552 -11.374 -3.311 1.00 1.18 N ATOM 873 CA GLU A 58 -8.017 -11.451 -3.375 1.00 1.31 C ATOM 874 C GLU A 58 -8.735 -10.722 -2.236 1.00 1.24 C ATOM 875 O GLU A 58 -8.436 -10.925 -1.050 1.00 1.32 O ATOM 876 CB GLU A 58 -8.496 -12.902 -3.403 1.00 1.61 C ATOM 877 CG GLU A 58 -8.259 -13.617 -4.714 1.00 2.01 C ATOM 878 CD GLU A 58 -8.714 -15.051 -4.685 1.00 2.65 C ATOM 879 OE1 GLU A 58 -8.002 -15.916 -5.223 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.804 -15.345 -4.124 1.00 2.90 O ATOM 0 H GLU A 58 -6.089 -12.273 -3.442 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.277 -10.943 -4.304 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.993 -13.452 -2.608 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.563 -12.923 -3.180 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -8.784 -13.090 -5.511 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -7.197 -13.582 -4.955 1.00 2.01 H new ATOM 887 N PRO A 59 -9.635 -9.804 -2.583 1.00 1.21 N ATOM 888 CA PRO A 59 -10.516 -9.213 -1.622 1.00 1.25 C ATOM 889 C PRO A 59 -11.767 -10.082 -1.496 1.00 1.26 C ATOM 890 O PRO A 59 -12.382 -10.455 -2.499 1.00 1.35 O ATOM 891 CB PRO A 59 -10.860 -7.847 -2.231 1.00 1.37 C ATOM 892 CG PRO A 59 -10.674 -8.004 -3.714 1.00 1.39 C ATOM 893 CD PRO A 59 -9.825 -9.238 -3.940 1.00 1.30 C ATOM 0 HA PRO A 59 -10.084 -9.121 -0.625 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.884 -7.559 -1.993 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.210 -7.067 -1.835 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.638 -8.106 -4.212 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -10.189 -7.123 -4.135 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.322 -9.948 -4.601 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.871 -8.985 -4.403 1.00 1.30 H new ATOM 901 N ALA A 60 -12.119 -10.442 -0.303 1.00 1.29 N ATOM 902 CA ALA A 60 -13.295 -11.251 -0.086 1.00 1.40 C ATOM 903 C ALA A 60 -14.470 -10.333 0.061 1.00 1.40 C ATOM 904 O ALA A 60 -14.350 -9.303 0.685 1.00 1.33 O ATOM 905 CB ALA A 60 -13.119 -12.078 1.173 1.00 1.53 C ATOM 0 H ALA A 60 -11.612 -10.191 0.546 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.453 -11.928 -0.925 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.008 -12.688 1.335 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.249 -12.726 1.064 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.973 -11.415 2.026 1.00 1.53 H new ATOM 911 N ALA A 61 -15.605 -10.723 -0.505 1.00 1.55 N ATOM 912 CA ALA A 61 -16.835 -9.918 -0.465 1.00 1.65 C ATOM 913 C ALA A 61 -17.429 -9.932 0.935 1.00 1.59 C ATOM 914 O ALA A 61 -18.317 -9.143 1.266 1.00 1.70 O ATOM 915 CB ALA A 61 -17.841 -10.437 -1.477 1.00 1.91 C ATOM 0 H ALA A 61 -15.706 -11.605 -1.007 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.587 -8.889 -0.725 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.746 -9.830 -1.435 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -17.413 -10.380 -2.478 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -18.088 -11.473 -1.246 1.00 1.91 H new ATOM 921 N ASN A 62 -16.933 -10.857 1.731 1.00 1.52 N ATOM 922 CA ASN A 62 -17.248 -10.977 3.151 1.00 1.56 C ATOM 923 C ASN A 62 -16.495 -9.901 3.951 1.00 1.33 C ATOM 924 O ASN A 62 -16.805 -9.608 5.103 1.00 1.40 O ATOM 925 CB ASN A 62 -16.864 -12.398 3.623 1.00 1.82 C ATOM 926 CG ASN A 62 -16.875 -12.594 5.131 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.909 -12.884 5.735 1.00 3.49 O ATOM 928 ND2 ASN A 62 -15.724 -12.521 5.735 1.00 3.19 N ATOM 0 H ASN A 62 -16.280 -11.569 1.404 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.314 -10.823 3.316 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.552 -13.113 3.173 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -15.868 -12.634 3.247 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -15.661 -12.706 6.736 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -14.886 -12.278 5.207 1.00 3.19 H new ATOM 935 N GLU A 63 -15.522 -9.305 3.317 1.00 1.20 N ATOM 936 CA GLU A 63 -14.721 -8.276 3.914 1.00 1.07 C ATOM 937 C GLU A 63 -14.887 -7.009 3.104 1.00 0.90 C ATOM 938 O GLU A 63 -15.362 -7.043 1.974 1.00 0.97 O ATOM 939 CB GLU A 63 -13.239 -8.675 3.886 1.00 1.16 C ATOM 940 CG GLU A 63 -12.885 -9.913 4.687 1.00 1.31 C ATOM 941 CD GLU A 63 -11.427 -10.279 4.542 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.573 -9.622 5.158 1.00 1.48 O ATOM 943 OE2 GLU A 63 -11.099 -11.262 3.824 1.00 1.89 O ATOM 0 H GLU A 63 -15.261 -9.526 2.356 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.037 -8.127 4.946 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.943 -8.836 2.849 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.648 -7.839 4.260 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.114 -9.743 5.739 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.504 -10.748 4.358 1.00 1.31 H new ATOM 950 N THR A 64 -14.557 -5.906 3.686 1.00 0.80 N ATOM 951 CA THR A 64 -14.513 -4.659 2.969 1.00 0.74 C ATOM 952 C THR A 64 -13.069 -4.208 2.876 1.00 0.59 C ATOM 953 O THR A 64 -12.762 -3.102 2.425 1.00 0.61 O ATOM 954 CB THR A 64 -15.377 -3.585 3.662 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.214 -3.676 5.096 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.845 -3.744 3.298 1.00 1.15 C ATOM 0 H THR A 64 -14.308 -5.834 4.673 1.00 0.80 H new ATOM 0 HA THR A 64 -14.922 -4.803 1.969 1.00 0.74 H new ATOM 0 HB THR A 64 -15.045 -2.605 3.318 1.00 0.90 H new ATOM 0 HG1 THR A 64 -15.763 -2.991 5.532 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.430 -2.974 3.801 1.00 1.15 H new ATOM 0 HG22 THR A 64 -16.965 -3.645 2.219 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.193 -4.728 3.613 1.00 1.15 H new ATOM 964 N VAL A 65 -12.188 -5.099 3.297 1.00 0.53 N ATOM 965 CA VAL A 65 -10.780 -4.832 3.353 1.00 0.45 C ATOM 966 C VAL A 65 -10.094 -5.352 2.104 1.00 0.42 C ATOM 967 O VAL A 65 -10.284 -6.510 1.707 1.00 0.49 O ATOM 968 CB VAL A 65 -10.110 -5.510 4.584 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.653 -5.108 4.702 1.00 0.50 C ATOM 970 CG2 VAL A 65 -10.848 -5.196 5.863 1.00 0.61 C ATOM 0 H VAL A 65 -12.443 -6.035 3.611 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.669 -3.751 3.433 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.160 -6.587 4.425 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.210 -5.596 5.570 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.118 -5.412 3.802 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -8.582 -4.027 4.818 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.351 -5.687 6.700 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -10.853 -4.118 6.025 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -11.874 -5.556 5.789 1.00 0.61 H new ATOM 980 N ARG A 66 -9.318 -4.504 1.501 1.00 0.37 N ATOM 981 CA ARG A 66 -8.501 -4.868 0.378 1.00 0.36 C ATOM 982 C ARG A 66 -7.190 -5.328 0.971 1.00 0.34 C ATOM 983 O ARG A 66 -6.711 -4.734 1.948 1.00 0.41 O ATOM 984 CB ARG A 66 -8.274 -3.674 -0.551 1.00 0.42 C ATOM 985 CG ARG A 66 -9.557 -3.010 -1.035 1.00 1.13 C ATOM 986 CD ARG A 66 -9.270 -1.809 -1.929 1.00 1.10 C ATOM 987 NE ARG A 66 -8.564 -2.196 -3.154 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.137 -1.366 -4.116 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.247 -0.053 -3.977 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.593 -1.861 -5.212 1.00 1.84 N ATOM 0 H ARG A 66 -9.231 -3.526 1.777 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.976 -5.642 -0.224 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.668 -2.933 -0.031 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.700 -4.005 -1.416 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.158 -3.736 -1.583 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.148 -2.691 -0.176 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.208 -1.318 -2.190 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.672 -1.082 -1.380 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.380 -3.191 -3.287 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.661 0.337 -3.130 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -7.918 0.567 -4.717 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.499 -2.871 -5.324 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.266 -1.234 -5.947 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.622 -6.350 0.427 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.452 -6.960 1.028 1.00 0.39 C ATOM 1006 C HIS A 67 -4.284 -6.803 0.095 1.00 0.35 C ATOM 1007 O HIS A 67 -4.411 -7.084 -1.109 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.691 -8.455 1.256 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.988 -8.812 1.911 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -7.994 -9.490 1.254 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.452 -8.575 3.151 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -9.013 -9.638 2.057 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.719 -9.098 3.211 1.00 0.90 N ATOM 0 H HIS A 67 -6.939 -6.793 -0.436 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.252 -6.474 1.983 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.639 -8.963 0.293 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.877 -8.845 1.867 1.00 0.53 H new ATOM 0 HD1 HIS A 67 -7.949 -9.824 0.291 1.00 1.08 H new ATOM 0 HD2 HIS A 67 -6.927 -8.069 3.948 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -9.944 -10.126 1.809 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.333 -9.070 4.025 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.162 -6.386 0.614 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.025 -6.217 -0.223 1.00 0.31 C ATOM 1024 C GLY A 68 -0.766 -5.890 0.535 1.00 0.24 C ATOM 1025 O GLY A 68 -0.776 -5.749 1.766 1.00 0.26 O ATOM 0 H GLY A 68 -3.019 -6.162 1.599 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.867 -7.130 -0.797 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.226 -5.420 -0.939 1.00 0.31 H new ATOM 1029 N CYS A 69 0.296 -5.732 -0.202 1.00 0.21 N ATOM 1030 CA CYS A 69 1.600 -5.432 0.331 1.00 0.20 C ATOM 1031 C CYS A 69 2.428 -4.690 -0.695 1.00 0.19 C ATOM 1032 O CYS A 69 2.406 -5.026 -1.869 1.00 0.22 O ATOM 1033 CB CYS A 69 2.338 -6.725 0.731 1.00 0.25 C ATOM 1034 SG CYS A 69 4.144 -6.491 0.916 1.00 0.36 S ATOM 0 H CYS A 69 0.281 -5.810 -1.219 1.00 0.21 H new ATOM 0 HA CYS A 69 1.465 -4.808 1.215 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.927 -7.095 1.670 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.152 -7.491 -0.022 1.00 0.25 H new ATOM 1039 N LEU A 70 3.122 -3.673 -0.270 1.00 0.20 N ATOM 1040 CA LEU A 70 4.053 -3.001 -1.139 1.00 0.22 C ATOM 1041 C LEU A 70 5.355 -3.777 -1.066 1.00 0.23 C ATOM 1042 O LEU A 70 6.002 -3.814 -0.010 1.00 0.24 O ATOM 1043 CB LEU A 70 4.277 -1.553 -0.694 1.00 0.24 C ATOM 1044 CG LEU A 70 5.186 -0.706 -1.596 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.568 -0.506 -2.966 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.486 0.628 -0.955 1.00 0.28 C ATOM 0 H LEU A 70 3.063 -3.289 0.673 1.00 0.20 H new ATOM 0 HA LEU A 70 3.666 -2.966 -2.157 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.307 -1.061 -0.624 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.702 -1.564 0.310 1.00 0.24 H new ATOM 0 HG LEU A 70 6.123 -1.248 -1.723 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.235 0.097 -3.582 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.414 -1.475 -3.441 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.610 0.004 -2.862 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.132 1.211 -1.612 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.555 1.169 -0.788 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.989 0.468 -0.001 1.00 0.28 H new ATOM 1058 N ARG A 71 5.707 -4.441 -2.135 1.00 0.30 N ATOM 1059 CA ARG A 71 6.895 -5.251 -2.144 1.00 0.35 C ATOM 1060 C ARG A 71 8.024 -4.572 -2.846 1.00 0.36 C ATOM 1061 O ARG A 71 7.853 -4.018 -3.938 1.00 0.42 O ATOM 1062 CB ARG A 71 6.681 -6.625 -2.782 1.00 0.51 C ATOM 1063 CG ARG A 71 5.820 -7.581 -1.991 1.00 1.20 C ATOM 1064 CD ARG A 71 5.849 -8.965 -2.622 1.00 1.20 C ATOM 1065 NE ARG A 71 5.085 -9.943 -1.843 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.418 -10.993 -2.347 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.380 -11.212 -3.669 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.807 -11.829 -1.521 1.00 2.68 N ATOM 0 H ARG A 71 5.187 -4.436 -3.012 1.00 0.30 H new ATOM 0 HA ARG A 71 7.145 -5.394 -1.093 1.00 0.35 H new ATOM 0 HB2 ARG A 71 6.230 -6.484 -3.764 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.655 -7.088 -2.942 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.176 -7.636 -0.962 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.795 -7.212 -1.954 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.443 -8.911 -3.632 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.882 -9.301 -2.711 1.00 1.20 H new ATOM 0 HE ARG A 71 5.058 -9.815 -0.831 1.00 1.43 H new ATOM 0 HH11 ARG A 71 4.862 -10.577 -4.305 1.00 1.98 H new ATOM 0 HH12 ARG A 71 3.869 -12.014 -4.039 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.847 -11.671 -0.514 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.297 -12.631 -1.892 1.00 2.68 H new ATOM 1082 N LEU A 72 9.158 -4.598 -2.218 1.00 0.37 N ATOM 1083 CA LEU A 72 10.355 -4.136 -2.818 1.00 0.42 C ATOM 1084 C LEU A 72 11.247 -5.330 -3.023 1.00 0.44 C ATOM 1085 O LEU A 72 11.730 -5.944 -2.063 1.00 0.49 O ATOM 1086 CB LEU A 72 11.063 -3.017 -2.007 1.00 0.50 C ATOM 1087 CG LEU A 72 10.230 -1.740 -1.764 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.265 -1.875 -0.585 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.105 -0.519 -1.622 1.00 0.61 C ATOM 0 H LEU A 72 9.272 -4.945 -1.266 1.00 0.37 H new ATOM 0 HA LEU A 72 10.115 -3.666 -3.772 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.359 -3.425 -1.041 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.978 -2.738 -2.529 1.00 0.50 H new ATOM 0 HG LEU A 72 9.615 -1.606 -2.654 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.707 -0.946 -0.463 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.570 -2.693 -0.775 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.829 -2.082 0.325 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.481 0.358 -1.452 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.781 -0.652 -0.777 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.686 -0.380 -2.534 1.00 0.61 H new ATOM 1101 N ASN A 73 11.397 -5.683 -4.285 1.00 0.56 N ATOM 1102 CA ASN A 73 12.162 -6.848 -4.744 1.00 0.72 C ATOM 1103 C ASN A 73 13.610 -6.755 -4.295 1.00 0.73 C ATOM 1104 O ASN A 73 14.232 -7.752 -3.920 1.00 0.87 O ATOM 1105 CB ASN A 73 12.090 -6.924 -6.278 1.00 0.90 C ATOM 1106 CG ASN A 73 12.829 -8.109 -6.873 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.933 -9.172 -6.266 1.00 2.18 O ATOM 1108 ND2 ASN A 73 13.328 -7.941 -8.073 1.00 1.84 N ATOM 0 H ASN A 73 10.980 -5.155 -5.052 1.00 0.56 H new ATOM 0 HA ASN A 73 11.731 -7.750 -4.308 1.00 0.72 H new ATOM 0 HB2 ASN A 73 11.044 -6.972 -6.580 1.00 0.90 H new ATOM 0 HB3 ASN A 73 12.501 -6.005 -6.697 1.00 0.90 H new ATOM 0 HD21 ASN A 73 13.821 -8.707 -8.532 1.00 1.84 H new ATOM 0 HD22 ASN A 73 13.223 -7.045 -8.548 1.00 1.84 H new ATOM 1115 N GLN A 74 14.128 -5.563 -4.320 1.00 0.66 N ATOM 1116 CA GLN A 74 15.472 -5.317 -3.899 1.00 0.72 C ATOM 1117 C GLN A 74 15.445 -4.187 -2.887 1.00 0.66 C ATOM 1118 O GLN A 74 14.714 -3.199 -3.078 1.00 0.69 O ATOM 1119 CB GLN A 74 16.380 -4.961 -5.099 1.00 0.86 C ATOM 1120 CG GLN A 74 16.024 -3.660 -5.820 1.00 1.58 C ATOM 1121 CD GLN A 74 16.970 -3.342 -6.958 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.514 -4.237 -7.598 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.177 -2.075 -7.215 1.00 2.58 N ATOM 0 H GLN A 74 13.627 -4.732 -4.634 1.00 0.66 H new ATOM 0 HA GLN A 74 15.888 -6.217 -3.447 1.00 0.72 H new ATOM 0 HB2 GLN A 74 17.410 -4.893 -4.748 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.342 -5.779 -5.819 1.00 0.86 H new ATOM 0 HG2 GLN A 74 15.008 -3.731 -6.208 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.035 -2.838 -5.104 1.00 1.58 H new ATOM 0 HE21 GLN A 74 16.707 -1.359 -6.661 1.00 2.58 H new ATOM 0 HE22 GLN A 74 17.808 -1.804 -7.969 1.00 2.58 H new ATOM 1132 N PRO A 75 16.171 -4.322 -1.782 1.00 0.75 N ATOM 1133 CA PRO A 75 16.233 -3.277 -0.789 1.00 0.84 C ATOM 1134 C PRO A 75 17.104 -2.136 -1.299 1.00 0.81 C ATOM 1135 O PRO A 75 18.226 -2.360 -1.784 1.00 0.83 O ATOM 1136 CB PRO A 75 16.889 -3.954 0.422 1.00 1.06 C ATOM 1137 CG PRO A 75 17.674 -5.089 -0.143 1.00 1.25 C ATOM 1138 CD PRO A 75 16.979 -5.504 -1.413 1.00 0.93 C ATOM 0 HA PRO A 75 15.258 -2.852 -0.550 1.00 0.84 H new ATOM 0 HB2 PRO A 75 17.533 -3.259 0.961 1.00 1.06 H new ATOM 0 HB3 PRO A 75 16.139 -4.307 1.130 1.00 1.06 H new ATOM 0 HG2 PRO A 75 18.702 -4.787 -0.345 1.00 1.25 H new ATOM 0 HG3 PRO A 75 17.719 -5.918 0.563 1.00 1.25 H new ATOM 0 HD2 PRO A 75 17.695 -5.758 -2.195 1.00 0.93 H new ATOM 0 HD3 PRO A 75 16.353 -6.382 -1.257 1.00 0.93 H new ATOM 1146 N THR A 76 16.604 -0.941 -1.215 1.00 0.86 N ATOM 1147 CA THR A 76 17.330 0.204 -1.698 1.00 0.90 C ATOM 1148 C THR A 76 17.670 1.114 -0.530 1.00 0.84 C ATOM 1149 O THR A 76 16.823 1.363 0.327 1.00 0.79 O ATOM 1150 CB THR A 76 16.442 0.974 -2.689 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.187 1.262 -2.056 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.201 0.162 -3.957 1.00 1.22 C ATOM 0 H THR A 76 15.690 -0.728 -0.815 1.00 0.86 H new ATOM 0 HA THR A 76 18.247 -0.121 -2.189 1.00 0.90 H new ATOM 0 HB THR A 76 16.947 1.898 -2.971 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.460 0.850 -2.568 1.00 1.17 H new ATOM 0 HG21 THR A 76 15.570 0.732 -4.639 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.155 -0.052 -4.439 1.00 1.22 H new ATOM 0 HG23 THR A 76 15.705 -0.774 -3.701 1.00 1.22 H new ATOM 1160 N HIS A 77 18.867 1.665 -0.544 1.00 0.92 N ATOM 1161 CA HIS A 77 19.340 2.515 0.553 1.00 0.94 C ATOM 1162 C HIS A 77 18.714 3.889 0.522 1.00 0.81 C ATOM 1163 O HIS A 77 18.802 4.620 1.487 1.00 0.85 O ATOM 1164 CB HIS A 77 20.894 2.627 0.618 1.00 1.20 C ATOM 1165 CG HIS A 77 21.554 3.341 -0.543 1.00 1.36 C ATOM 1166 ND1 HIS A 77 22.291 4.500 -0.418 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.610 3.019 -1.837 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.768 4.843 -1.597 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.369 3.956 -2.475 1.00 1.72 N ATOM 0 H HIS A 77 19.539 1.544 -1.302 1.00 0.92 H new ATOM 0 HA HIS A 77 19.015 2.012 1.464 1.00 0.94 H new ATOM 0 HB2 HIS A 77 21.164 3.145 1.539 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.309 1.621 0.685 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.137 2.165 -2.299 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.382 5.707 -1.804 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.589 3.965 -3.471 1.00 1.72 H new ATOM 1178 N VAL A 78 18.094 4.244 -0.591 1.00 0.83 N ATOM 1179 CA VAL A 78 17.477 5.544 -0.681 1.00 0.92 C ATOM 1180 C VAL A 78 16.050 5.573 -0.118 1.00 0.90 C ATOM 1181 O VAL A 78 15.477 6.643 0.058 1.00 1.08 O ATOM 1182 CB VAL A 78 17.454 6.152 -2.114 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.849 6.470 -2.616 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.700 5.253 -3.091 1.00 1.14 C ATOM 0 H VAL A 78 18.008 3.661 -1.424 1.00 0.83 H new ATOM 0 HA VAL A 78 18.127 6.163 -0.063 1.00 0.92 H new ATOM 0 HB VAL A 78 16.913 7.096 -2.052 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.787 6.892 -3.619 1.00 1.33 H new ATOM 0 HG12 VAL A 78 19.321 7.190 -1.948 1.00 1.33 H new ATOM 0 HG13 VAL A 78 19.443 5.557 -2.643 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.704 5.708 -4.081 1.00 1.14 H new ATOM 0 HG22 VAL A 78 17.186 4.278 -3.138 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.671 5.130 -2.752 1.00 1.14 H new ATOM 1194 N ASN A 79 15.474 4.415 0.175 1.00 0.78 N ATOM 1195 CA ASN A 79 14.056 4.386 0.539 1.00 0.90 C ATOM 1196 C ASN A 79 13.743 4.487 2.021 1.00 0.78 C ATOM 1197 O ASN A 79 12.702 4.016 2.473 1.00 0.96 O ATOM 1198 CB ASN A 79 13.258 3.265 -0.139 1.00 1.13 C ATOM 1199 CG ASN A 79 12.735 3.661 -1.517 1.00 1.40 C ATOM 1200 OD1 ASN A 79 11.653 4.231 -1.643 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.445 3.322 -2.550 1.00 1.22 N ATOM 0 H ASN A 79 15.944 3.510 0.170 1.00 0.78 H new ATOM 0 HA ASN A 79 13.702 5.328 0.121 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.890 2.382 -0.235 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.418 2.987 0.497 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.108 3.528 -3.490 1.00 1.22 H new ATOM 0 HD22 ASN A 79 14.340 2.850 -2.421 1.00 1.22 H new ATOM 1208 N ASN A 80 14.618 5.114 2.786 1.00 0.64 N ATOM 1209 CA ASN A 80 14.342 5.332 4.214 1.00 0.59 C ATOM 1210 C ASN A 80 13.431 6.538 4.363 1.00 0.56 C ATOM 1211 O ASN A 80 13.876 7.623 4.755 1.00 0.88 O ATOM 1212 CB ASN A 80 15.607 5.602 5.044 1.00 0.72 C ATOM 1213 CG ASN A 80 16.603 4.478 5.117 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.272 3.312 4.990 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.830 4.828 5.386 1.00 1.43 N ATOM 0 H ASN A 80 15.513 5.479 2.460 1.00 0.64 H new ATOM 0 HA ASN A 80 13.884 4.415 4.585 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.108 6.478 4.631 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.303 5.858 6.059 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.551 4.115 5.497 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.069 5.815 5.485 1.00 1.43 H new ATOM 1222 N GLY A 81 12.185 6.377 4.038 1.00 0.46 N ATOM 1223 CA GLY A 81 11.279 7.480 4.101 1.00 0.49 C ATOM 1224 C GLY A 81 9.925 7.078 4.587 1.00 0.43 C ATOM 1225 O GLY A 81 9.707 5.924 4.980 1.00 0.40 O ATOM 0 H GLY A 81 11.774 5.496 3.728 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.687 8.244 4.762 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.188 7.929 3.112 1.00 0.49 H new ATOM 1229 N ASN A 82 9.024 8.013 4.570 1.00 0.45 N ATOM 1230 CA ASN A 82 7.680 7.787 5.042 1.00 0.44 C ATOM 1231 C ASN A 82 6.763 7.397 3.902 1.00 0.37 C ATOM 1232 O ASN A 82 6.481 8.208 3.016 1.00 0.46 O ATOM 1233 CB ASN A 82 7.141 9.043 5.736 1.00 0.56 C ATOM 1234 CG ASN A 82 5.723 8.874 6.255 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.303 7.781 6.611 1.00 2.23 O ATOM 1236 ND2 ASN A 82 4.990 9.948 6.326 1.00 1.65 N ATOM 0 H ASN A 82 9.195 8.959 4.229 1.00 0.45 H new ATOM 0 HA ASN A 82 7.709 6.966 5.759 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.797 9.302 6.567 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.168 9.878 5.036 1.00 0.56 H new ATOM 0 HD21 ASN A 82 4.037 9.892 6.686 1.00 1.65 H new ATOM 0 HD22 ASN A 82 5.369 10.845 6.021 1.00 1.65 H new ATOM 1243 N TYR A 83 6.312 6.172 3.917 1.00 0.29 N ATOM 1244 CA TYR A 83 5.364 5.701 2.952 1.00 0.27 C ATOM 1245 C TYR A 83 3.974 6.028 3.449 1.00 0.28 C ATOM 1246 O TYR A 83 3.497 5.470 4.443 1.00 0.47 O ATOM 1247 CB TYR A 83 5.500 4.193 2.708 1.00 0.34 C ATOM 1248 CG TYR A 83 6.757 3.768 1.975 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.778 3.709 0.586 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.910 3.401 2.659 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.903 3.296 -0.094 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.043 2.993 1.972 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.025 2.944 0.600 1.00 0.60 C ATOM 1254 OH TYR A 83 10.128 2.516 -0.077 1.00 0.69 O ATOM 0 H TYR A 83 6.595 5.472 4.603 1.00 0.29 H new ATOM 0 HA TYR A 83 5.555 6.196 2.000 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.469 3.681 3.670 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.635 3.854 2.139 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.896 3.992 0.030 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.923 3.434 3.738 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.897 3.251 -1.173 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.935 2.715 2.513 1.00 0.55 H new ATOM 0 HH TYR A 83 10.457 3.236 -0.654 1.00 0.69 H new ATOM 1264 N THR A 84 3.369 6.969 2.818 1.00 0.22 N ATOM 1265 CA THR A 84 2.059 7.395 3.158 1.00 0.23 C ATOM 1266 C THR A 84 1.077 6.801 2.158 1.00 0.22 C ATOM 1267 O THR A 84 1.177 7.053 0.959 1.00 0.26 O ATOM 1268 CB THR A 84 1.995 8.928 3.109 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.080 9.459 3.897 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.668 9.448 3.656 1.00 0.33 C ATOM 0 H THR A 84 3.780 7.476 2.034 1.00 0.22 H new ATOM 0 HA THR A 84 1.803 7.061 4.164 1.00 0.23 H new ATOM 0 HB THR A 84 2.078 9.249 2.071 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.053 10.438 3.874 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.656 10.537 3.607 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.153 9.049 3.060 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.552 9.130 4.692 1.00 0.33 H new ATOM 1278 N LEU A 85 0.179 5.995 2.641 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.810 5.398 1.792 1.00 0.19 C ATOM 1280 C LEU A 85 -2.054 6.244 1.831 1.00 0.18 C ATOM 1281 O LEU A 85 -2.622 6.470 2.907 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.118 3.960 2.228 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.133 3.197 1.382 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.664 3.110 -0.041 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.348 1.813 1.937 1.00 0.22 C ATOM 0 H LEU A 85 0.110 5.734 3.625 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.428 5.352 0.772 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.185 3.397 2.232 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.480 3.985 3.256 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.079 3.737 1.411 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.398 2.563 -0.633 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.546 4.115 -0.447 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.707 2.589 -0.078 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.075 1.283 1.321 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.404 1.269 1.933 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.721 1.885 2.959 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.424 6.753 0.692 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.601 7.568 0.547 1.00 0.22 C ATOM 1299 C LEU A 86 -4.687 6.733 -0.078 1.00 0.22 C ATOM 1300 O LEU A 86 -4.429 5.995 -1.037 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.347 8.802 -0.364 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.329 9.876 0.088 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.631 10.387 1.472 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.895 9.395 -0.018 1.00 0.32 C ATOM 0 H LEU A 86 -1.910 6.613 -0.178 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.887 7.927 1.536 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.023 8.431 -1.336 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.304 9.300 -0.516 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.437 10.711 -0.604 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.893 11.139 1.751 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.626 10.832 1.487 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.593 9.560 2.181 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.221 10.186 0.311 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.758 8.516 0.612 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.673 9.137 -1.054 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.867 6.815 0.461 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.999 6.132 -0.089 1.00 0.23 C ATOM 1318 C ALA A 87 -8.158 7.077 -0.116 1.00 0.29 C ATOM 1319 O ALA A 87 -8.561 7.592 0.928 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.339 4.918 0.746 1.00 0.24 C ATOM 0 H ALA A 87 -6.072 7.360 1.298 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.769 5.795 -1.100 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.202 4.410 0.315 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.488 4.238 0.762 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.573 5.230 1.764 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.686 7.314 -1.273 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.784 8.231 -1.419 1.00 0.45 C ATOM 1328 C ALA A 88 -10.912 7.583 -2.180 1.00 0.37 C ATOM 1329 O ALA A 88 -10.676 6.879 -3.171 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.322 9.496 -2.124 1.00 0.61 C ATOM 0 H ALA A 88 -8.375 6.883 -2.143 1.00 0.36 H new ATOM 0 HA ALA A 88 -10.149 8.500 -0.428 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -10.163 10.182 -2.228 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.535 9.972 -1.539 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.936 9.242 -3.111 1.00 0.61 H new ATOM 1336 N ASN A 89 -12.109 7.767 -1.692 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.313 7.277 -2.337 1.00 0.58 C ATOM 1338 C ASN A 89 -14.409 8.309 -2.114 1.00 0.57 C ATOM 1339 O ASN A 89 -14.166 9.237 -1.341 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.736 5.847 -1.833 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.114 5.717 -0.350 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.553 6.666 0.310 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.024 4.508 0.154 1.00 1.18 N ATOM 0 H ASN A 89 -12.286 8.269 -0.822 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.127 7.151 -3.404 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.585 5.514 -2.430 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.915 5.159 -2.035 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.320 4.332 1.114 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.658 3.744 -0.415 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.596 8.224 -2.778 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.695 9.211 -2.615 1.00 0.68 C ATOM 1352 C PRO A 90 -16.987 9.669 -1.161 1.00 0.56 C ATOM 1353 O PRO A 90 -17.386 10.817 -0.944 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.889 8.474 -3.199 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.296 7.698 -4.318 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.966 7.208 -3.809 1.00 0.74 C ATOM 0 HA PRO A 90 -16.437 10.151 -3.103 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.360 7.823 -2.462 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.656 9.165 -3.550 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.939 6.865 -4.601 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.172 8.320 -5.204 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.043 6.209 -3.380 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.225 7.156 -4.606 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.766 8.804 -0.176 1.00 0.50 N ATOM 1365 CA CYS A 91 -17.035 9.178 1.205 1.00 0.50 C ATOM 1366 C CYS A 91 -15.963 10.127 1.753 1.00 0.46 C ATOM 1367 O CYS A 91 -16.290 11.180 2.334 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.181 7.960 2.131 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.537 8.426 3.866 1.00 1.10 S ATOM 0 H CYS A 91 -16.408 7.858 -0.305 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.992 9.700 1.191 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.982 7.321 1.760 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.263 7.372 2.098 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.706 9.801 1.547 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.657 10.621 2.088 1.00 0.58 C ATOM 1376 C GLY A 92 -12.294 10.124 1.719 1.00 0.49 C ATOM 1377 O GLY A 92 -12.151 9.290 0.805 1.00 0.59 O ATOM 0 H GLY A 92 -14.394 8.987 1.017 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.777 11.643 1.729 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.747 10.652 3.174 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.301 10.612 2.416 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.939 10.246 2.165 1.00 0.42 C ATOM 1383 C GLN A 93 -9.270 9.840 3.461 1.00 0.41 C ATOM 1384 O GLN A 93 -9.343 10.555 4.470 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.173 11.402 1.509 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.707 11.086 1.220 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.964 12.242 0.592 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.533 13.049 -0.128 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.695 12.342 0.873 1.00 1.33 N ATOM 0 H GLN A 93 -11.420 11.279 3.178 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.928 9.401 1.477 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.668 11.670 0.575 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.225 12.275 2.159 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.212 10.806 2.150 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.652 10.223 0.557 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.251 11.651 1.478 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.147 13.111 0.488 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.648 8.706 3.440 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.929 8.197 4.567 1.00 0.33 C ATOM 1400 C ALA A 94 -6.484 8.119 4.208 1.00 0.31 C ATOM 1401 O ALA A 94 -6.129 8.094 3.016 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.412 6.820 4.931 1.00 0.37 C ATOM 0 H ALA A 94 -8.624 8.094 2.624 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.086 8.859 5.418 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.851 6.453 5.791 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.472 6.860 5.180 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.263 6.147 4.086 1.00 0.37 H new ATOM 1408 N SER A 95 -5.655 8.083 5.200 1.00 0.36 N ATOM 1409 CA SER A 95 -4.258 7.963 4.993 1.00 0.37 C ATOM 1410 C SER A 95 -3.595 7.367 6.215 1.00 0.38 C ATOM 1411 O SER A 95 -4.118 7.471 7.335 1.00 0.57 O ATOM 1412 CB SER A 95 -3.672 9.331 4.670 1.00 0.43 C ATOM 1413 OG SER A 95 -4.054 10.273 5.649 1.00 0.50 O ATOM 0 H SER A 95 -5.934 8.137 6.180 1.00 0.36 H new ATOM 0 HA SER A 95 -4.074 7.295 4.152 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.585 9.266 4.623 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.015 9.658 3.688 1.00 0.43 H new ATOM 0 HG SER A 95 -3.669 11.147 5.430 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.496 6.722 6.002 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.687 6.184 7.060 1.00 0.27 C ATOM 1421 C ALA A 96 -0.257 6.398 6.661 1.00 0.23 C ATOM 1422 O ALA A 96 0.021 6.607 5.473 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.979 4.711 7.285 1.00 0.30 C ATOM 0 H ALA A 96 -2.122 6.547 5.069 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.905 6.684 8.004 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.350 4.335 8.092 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.028 4.585 7.553 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.769 4.155 6.372 1.00 0.30 H new ATOM 1429 N SER A 97 0.634 6.391 7.592 1.00 0.26 N ATOM 1430 CA SER A 97 2.013 6.639 7.310 1.00 0.28 C ATOM 1431 C SER A 97 2.895 5.614 8.007 1.00 0.25 C ATOM 1432 O SER A 97 2.761 5.375 9.212 1.00 0.38 O ATOM 1433 CB SER A 97 2.349 8.058 7.752 1.00 0.41 C ATOM 1434 OG SER A 97 1.479 8.987 7.103 1.00 1.26 O ATOM 0 H SER A 97 0.430 6.213 8.575 1.00 0.26 H new ATOM 0 HA SER A 97 2.199 6.544 6.240 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.247 8.145 8.834 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.387 8.288 7.510 1.00 0.41 H new ATOM 0 HG SER A 97 1.698 9.897 7.392 1.00 1.26 H new ATOM 1440 N ILE A 98 3.747 4.983 7.255 1.00 0.25 N ATOM 1441 CA ILE A 98 4.660 4.019 7.793 1.00 0.28 C ATOM 1442 C ILE A 98 6.062 4.375 7.291 1.00 0.28 C ATOM 1443 O ILE A 98 6.310 4.461 6.084 1.00 0.30 O ATOM 1444 CB ILE A 98 4.205 2.533 7.415 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.996 1.417 8.173 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.219 2.279 5.905 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.436 1.193 7.742 1.00 0.37 C ATOM 0 H ILE A 98 3.829 5.123 6.248 1.00 0.25 H new ATOM 0 HA ILE A 98 4.667 4.046 8.883 1.00 0.28 H new ATOM 0 HB ILE A 98 3.172 2.469 7.757 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.992 1.658 9.236 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.455 0.478 8.057 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.902 1.255 5.705 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.537 2.973 5.413 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.228 2.428 5.520 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.875 0.395 8.341 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.461 0.912 6.689 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.006 2.111 7.886 1.00 0.37 H new ATOM 1459 N MET A 99 6.946 4.670 8.193 1.00 0.34 N ATOM 1460 CA MET A 99 8.293 4.967 7.804 1.00 0.41 C ATOM 1461 C MET A 99 9.137 3.744 7.943 1.00 0.40 C ATOM 1462 O MET A 99 9.334 3.233 9.045 1.00 0.51 O ATOM 1463 CB MET A 99 8.894 6.132 8.588 1.00 0.59 C ATOM 1464 CG MET A 99 10.345 6.418 8.195 1.00 0.85 C ATOM 1465 SD MET A 99 11.039 7.883 8.978 1.00 1.25 S ATOM 1466 CE MET A 99 9.953 9.151 8.328 1.00 1.18 C ATOM 0 H MET A 99 6.764 4.712 9.196 1.00 0.34 H new ATOM 0 HA MET A 99 8.270 5.281 6.760 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.293 7.026 8.421 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.847 5.911 9.654 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.958 5.555 8.454 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.401 6.535 7.113 1.00 0.85 H new ATOM 0 HE1 MET A 99 10.389 10.133 8.511 1.00 1.18 H new ATOM 0 HE2 MET A 99 9.825 9.005 7.255 1.00 1.18 H new ATOM 0 HE3 MET A 99 8.983 9.087 8.821 1.00 1.18 H new ATOM 1476 N ALA A 100 9.615 3.263 6.848 1.00 0.42 N ATOM 1477 CA ALA A 100 10.432 2.100 6.851 1.00 0.48 C ATOM 1478 C ALA A 100 11.868 2.500 6.654 1.00 0.48 C ATOM 1479 O ALA A 100 12.163 3.491 5.979 1.00 0.57 O ATOM 1480 CB ALA A 100 9.976 1.121 5.786 1.00 0.58 C ATOM 0 H ALA A 100 9.450 3.665 5.925 1.00 0.42 H new ATOM 0 HA ALA A 100 10.340 1.595 7.813 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.615 0.238 5.806 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.945 0.827 5.980 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.040 1.594 4.806 1.00 0.58 H new ATOM 1486 N ALA A 101 12.733 1.778 7.276 1.00 0.56 N ATOM 1487 CA ALA A 101 14.130 2.011 7.196 1.00 0.65 C ATOM 1488 C ALA A 101 14.813 0.724 6.789 1.00 0.66 C ATOM 1489 O ALA A 101 14.641 -0.320 7.440 1.00 0.77 O ATOM 1490 CB ALA A 101 14.649 2.516 8.529 1.00 0.84 C ATOM 0 H ALA A 101 12.480 0.988 7.870 1.00 0.56 H new ATOM 0 HA ALA A 101 14.344 2.776 6.449 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.722 2.692 8.458 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.145 3.447 8.787 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.454 1.772 9.301 1.00 0.84 H new ATOM 1496 N PHE A 102 15.539 0.787 5.711 1.00 0.75 N ATOM 1497 CA PHE A 102 16.232 -0.342 5.155 1.00 0.87 C ATOM 1498 C PHE A 102 17.391 0.108 4.293 1.00 1.20 C ATOM 1499 O PHE A 102 17.363 0.022 3.067 1.00 2.05 O ATOM 1500 CB PHE A 102 15.282 -1.316 4.397 1.00 0.97 C ATOM 1501 CG PHE A 102 14.304 -0.706 3.409 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.101 -0.172 3.843 1.00 2.20 C ATOM 1503 CD2 PHE A 102 14.576 -0.704 2.051 1.00 2.45 C ATOM 1504 CE1 PHE A 102 12.198 0.357 2.949 1.00 3.25 C ATOM 1505 CE2 PHE A 102 13.677 -0.173 1.154 1.00 3.51 C ATOM 1506 CZ PHE A 102 12.486 0.357 1.606 1.00 3.86 C ATOM 0 H PHE A 102 15.670 1.647 5.179 1.00 0.75 H new ATOM 0 HA PHE A 102 16.639 -0.913 5.990 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.897 -2.038 3.860 1.00 0.97 H new ATOM 0 HB3 PHE A 102 14.709 -1.874 5.138 1.00 0.97 H new ATOM 0 HD1 PHE A 102 12.869 -0.171 4.898 1.00 2.20 H new ATOM 0 HD2 PHE A 102 15.504 -1.124 1.692 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.265 0.771 3.303 1.00 3.25 H new ATOM 0 HE2 PHE A 102 13.904 -0.171 0.098 1.00 3.51 H new ATOM 0 HZ PHE A 102 11.779 0.772 0.903 1.00 3.86 H new