USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 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 82 ASN : amide:sc= 1.27 K(o=2.4,f=0.11) USER MOD Set 1.2: A 84 THR OG1 : rot 60:sc= 0.148 USER MOD Set 1.3: A 97 SER OG : rot 180:sc= 0.958 USER MOD Set 2.1: A 76 THR OG1 : rot 7:sc= -0.795 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.546! C(o=-0.5!,f=-6.3!) USER MOD Set 2.3: A 83 TYR OH : rot 178:sc= -0.248 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.399 USER MOD Set 3.2: A 13 GLN : amide:sc= 0.357 K(o=0.76,f=-0.53) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 20 MET CE :methyl -171:sc= 0 (180deg=-0.124) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= 0.295 K(o=0.3,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= -1.06 USER MOD Single : A 32 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=-5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 50 SER OG : rot 180:sc= 0.016 USER MOD Single : A 54 THR OG1 : rot 170:sc= 0.0421 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 67 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.054) USER MOD Single : A 73 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.1!) USER MOD Single : A 74 GLN : amide:sc= 0.941 K(o=0.94,f=-0.11) USER MOD Single : A 77 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.867 K(o=0.87,f=-4.3!) USER MOD Single : A 89 ASN : amide:sc= -0.204 K(o=-0.2,f=-4.3!) USER MOD Single : A 93 GLN : amide:sc=-0.00564 X(o=-0.0056,f=-0.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.559 2.563 3.297 1.00 1.06 N ATOM 80 CA SER A 7 -21.395 3.075 2.721 1.00 0.91 C ATOM 81 C SER A 7 -20.278 2.987 3.733 1.00 0.81 C ATOM 82 O SER A 7 -20.162 3.811 4.643 1.00 0.91 O ATOM 83 CB SER A 7 -21.657 4.513 2.262 1.00 1.01 C ATOM 84 OG SER A 7 -20.543 5.070 1.565 1.00 1.58 O ATOM 0 HA SER A 7 -21.098 2.500 1.844 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.534 4.532 1.615 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.887 5.133 3.129 1.00 1.01 H new ATOM 0 HG SER A 7 -20.754 5.986 1.290 1.00 1.58 H new ATOM 90 N PHE A 8 -19.495 1.957 3.598 1.00 0.75 N ATOM 91 CA PHE A 8 -18.333 1.795 4.401 1.00 0.70 C ATOM 92 C PHE A 8 -17.253 2.554 3.695 1.00 0.53 C ATOM 93 O PHE A 8 -16.918 2.235 2.557 1.00 0.54 O ATOM 94 CB PHE A 8 -17.932 0.317 4.529 1.00 0.85 C ATOM 95 CG PHE A 8 -19.006 -0.613 5.054 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.309 -1.804 4.409 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.732 -0.269 6.181 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.309 -2.629 4.883 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.730 -1.091 6.661 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.933 -2.364 6.019 1.00 0.96 C ATOM 0 H PHE A 8 -19.650 1.207 2.924 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.508 2.157 5.414 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.615 -0.040 3.549 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -17.066 0.250 5.188 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.756 -2.089 3.526 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -19.514 0.657 6.692 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.587 -3.506 4.317 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -21.343 -0.788 7.497 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.590 -3.098 6.462 1.00 0.96 H new ATOM 110 N CYS A 9 -16.736 3.544 4.328 1.00 0.49 N ATOM 111 CA CYS A 9 -15.770 4.413 3.710 1.00 0.44 C ATOM 112 C CYS A 9 -14.395 3.772 3.817 1.00 0.37 C ATOM 113 O CYS A 9 -14.266 2.696 4.396 1.00 0.40 O ATOM 114 CB CYS A 9 -15.839 5.772 4.401 1.00 0.62 C ATOM 115 SG CYS A 9 -17.540 6.468 4.414 1.00 1.32 S ATOM 0 H CYS A 9 -16.964 3.785 5.293 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.979 4.563 2.651 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.482 5.673 5.426 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.169 6.468 3.896 1.00 0.62 H new ATOM 120 N ALA A 10 -13.375 4.422 3.321 1.00 0.35 N ATOM 121 CA ALA A 10 -12.100 3.768 3.215 1.00 0.35 C ATOM 122 C ALA A 10 -11.267 4.039 4.413 1.00 0.29 C ATOM 123 O ALA A 10 -11.081 5.191 4.820 1.00 0.34 O ATOM 124 CB ALA A 10 -11.358 4.218 1.969 1.00 0.45 C ATOM 0 H ALA A 10 -13.401 5.386 2.990 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.287 2.696 3.146 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.397 3.708 1.914 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.949 3.975 1.086 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.195 5.295 2.012 1.00 0.45 H new ATOM 130 N SER A 11 -10.817 2.986 5.005 1.00 0.27 N ATOM 131 CA SER A 11 -9.939 3.074 6.108 1.00 0.27 C ATOM 132 C SER A 11 -8.646 2.401 5.719 1.00 0.23 C ATOM 133 O SER A 11 -8.652 1.277 5.198 1.00 0.25 O ATOM 134 CB SER A 11 -10.552 2.423 7.352 1.00 0.37 C ATOM 135 OG SER A 11 -9.767 2.670 8.524 1.00 1.19 O ATOM 0 H SER A 11 -11.054 2.033 4.730 1.00 0.27 H new ATOM 0 HA SER A 11 -9.755 4.118 6.362 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.561 2.807 7.503 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.640 1.348 7.194 1.00 0.37 H new ATOM 0 HG SER A 11 -10.190 2.241 9.297 1.00 1.19 H new ATOM 141 N VAL A 12 -7.554 3.066 5.963 1.00 0.23 N ATOM 142 CA VAL A 12 -6.269 2.565 5.590 1.00 0.22 C ATOM 143 C VAL A 12 -5.481 2.289 6.826 1.00 0.24 C ATOM 144 O VAL A 12 -5.181 3.196 7.607 1.00 0.29 O ATOM 145 CB VAL A 12 -5.486 3.575 4.701 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.095 3.073 4.416 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.183 3.794 3.395 1.00 0.27 C ATOM 0 H VAL A 12 -7.533 3.974 6.428 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.417 1.654 5.010 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.435 4.514 5.252 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.568 3.796 3.793 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.556 2.941 5.354 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.153 2.118 3.894 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.615 4.504 2.794 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.261 2.847 2.861 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.182 4.191 3.578 1.00 0.27 H new ATOM 157 N GLN A 13 -5.195 1.047 7.031 1.00 0.24 N ATOM 158 CA GLN A 13 -4.406 0.638 8.130 1.00 0.29 C ATOM 159 C GLN A 13 -3.126 0.060 7.584 1.00 0.26 C ATOM 160 O GLN A 13 -3.141 -0.937 6.845 1.00 0.32 O ATOM 161 CB GLN A 13 -5.154 -0.390 8.996 1.00 0.40 C ATOM 162 CG GLN A 13 -6.515 0.091 9.503 1.00 0.68 C ATOM 163 CD GLN A 13 -6.428 1.361 10.333 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.434 1.612 11.017 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.451 2.176 10.265 1.00 2.06 N ATOM 0 H GLN A 13 -5.508 0.284 6.431 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.188 1.490 8.774 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.296 -1.302 8.416 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.531 -0.650 9.852 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -7.172 0.265 8.651 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.972 -0.697 10.102 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.257 1.935 9.688 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.441 3.051 10.789 1.00 2.06 H new ATOM 174 N LEU A 14 -2.049 0.702 7.894 1.00 0.28 N ATOM 175 CA LEU A 14 -0.749 0.293 7.454 1.00 0.25 C ATOM 176 C LEU A 14 -0.054 -0.454 8.545 1.00 0.25 C ATOM 177 O LEU A 14 -0.407 -0.332 9.720 1.00 0.33 O ATOM 178 CB LEU A 14 0.078 1.486 6.938 1.00 0.24 C ATOM 179 CG LEU A 14 -0.282 1.956 5.519 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.380 3.260 5.189 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.193 0.936 4.527 1.00 0.25 C ATOM 0 H LEU A 14 -2.044 1.543 8.472 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.863 -0.383 6.606 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -0.049 2.322 7.625 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.133 1.214 6.958 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.364 2.082 5.474 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.104 3.563 4.179 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.056 4.022 5.898 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.462 3.144 5.250 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.060 1.264 3.519 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.274 0.822 4.611 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.290 -0.020 4.729 1.00 0.25 H new ATOM 193 N HIS A 15 0.883 -1.259 8.173 1.00 0.21 N ATOM 194 CA HIS A 15 1.581 -2.085 9.107 1.00 0.24 C ATOM 195 C HIS A 15 3.054 -1.965 8.883 1.00 0.21 C ATOM 196 O HIS A 15 3.503 -1.627 7.784 1.00 0.22 O ATOM 197 CB HIS A 15 1.137 -3.555 8.983 1.00 0.34 C ATOM 198 CG HIS A 15 -0.249 -3.833 9.497 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.481 -4.403 10.720 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.474 -3.617 8.951 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.767 -4.522 10.917 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.399 -4.055 9.861 1.00 0.83 N ATOM 0 H HIS A 15 1.190 -1.365 7.206 1.00 0.21 H new ATOM 0 HA HIS A 15 1.343 -1.747 10.116 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.188 -3.850 7.935 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.845 -4.182 9.525 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.679 -3.183 7.984 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.234 -4.935 11.799 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.411 -4.024 9.740 1.00 0.83 H new ATOM 211 N THR A 16 3.780 -2.212 9.945 1.00 0.26 N ATOM 212 CA THR A 16 5.208 -2.137 9.994 1.00 0.29 C ATOM 213 C THR A 16 5.828 -3.068 8.943 1.00 0.25 C ATOM 214 O THR A 16 5.419 -4.229 8.805 1.00 0.27 O ATOM 215 CB THR A 16 5.643 -2.565 11.403 1.00 0.38 C ATOM 216 OG1 THR A 16 4.855 -1.823 12.366 1.00 0.49 O ATOM 217 CG2 THR A 16 7.115 -2.265 11.627 1.00 0.47 C ATOM 0 H THR A 16 3.366 -2.483 10.837 1.00 0.26 H new ATOM 0 HA THR A 16 5.544 -1.123 9.779 1.00 0.29 H new ATOM 0 HB THR A 16 5.489 -3.638 11.517 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.117 -2.084 13.274 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.401 -2.576 12.632 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.713 -2.808 10.895 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.289 -1.195 11.516 1.00 0.47 H new ATOM 225 N ALA A 17 6.801 -2.540 8.210 1.00 0.28 N ATOM 226 CA ALA A 17 7.455 -3.267 7.141 1.00 0.30 C ATOM 227 C ALA A 17 8.186 -4.471 7.695 1.00 0.35 C ATOM 228 O ALA A 17 8.794 -4.396 8.775 1.00 0.40 O ATOM 229 CB ALA A 17 8.416 -2.358 6.393 1.00 0.37 C ATOM 0 H ALA A 17 7.156 -1.593 8.344 1.00 0.28 H new ATOM 0 HA ALA A 17 6.695 -3.615 6.441 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.899 -2.919 5.593 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.866 -1.519 5.967 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.173 -1.983 7.082 1.00 0.37 H new ATOM 235 N VAL A 18 8.144 -5.563 6.972 1.00 0.38 N ATOM 236 CA VAL A 18 8.745 -6.791 7.441 1.00 0.48 C ATOM 237 C VAL A 18 10.184 -6.919 6.978 1.00 0.56 C ATOM 238 O VAL A 18 10.496 -6.797 5.787 1.00 0.52 O ATOM 239 CB VAL A 18 7.915 -8.066 7.060 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.537 -8.013 7.700 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.781 -8.233 5.546 1.00 0.52 C ATOM 0 H VAL A 18 7.700 -5.628 6.056 1.00 0.38 H new ATOM 0 HA VAL A 18 8.741 -6.731 8.529 1.00 0.48 H new ATOM 0 HB VAL A 18 8.459 -8.930 7.442 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.974 -8.905 7.426 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.641 -7.969 8.784 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.007 -7.127 7.350 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.199 -9.129 5.329 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.277 -7.362 5.127 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.772 -8.328 5.101 1.00 0.52 H new ATOM 251 N GLU A 19 11.048 -7.108 7.941 1.00 0.72 N ATOM 252 CA GLU A 19 12.457 -7.249 7.721 1.00 0.84 C ATOM 253 C GLU A 19 12.789 -8.699 7.399 1.00 0.84 C ATOM 254 O GLU A 19 12.633 -9.595 8.253 1.00 0.96 O ATOM 255 CB GLU A 19 13.209 -6.800 8.974 1.00 1.06 C ATOM 256 CG GLU A 19 14.717 -6.894 8.875 1.00 1.72 C ATOM 257 CD GLU A 19 15.387 -6.523 10.163 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.489 -7.369 11.059 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.841 -5.362 10.295 1.00 2.38 O ATOM 0 H GLU A 19 10.781 -7.169 8.923 1.00 0.72 H new ATOM 0 HA GLU A 19 12.760 -6.628 6.878 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.937 -5.768 9.194 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.876 -7.405 9.817 1.00 1.06 H new ATOM 0 HG2 GLU A 19 15.000 -7.910 8.598 1.00 1.72 H new ATOM 0 HG3 GLU A 19 15.070 -6.237 8.080 1.00 1.72 H new ATOM 266 N MET A 20 13.190 -8.921 6.181 1.00 0.79 N ATOM 267 CA MET A 20 13.618 -10.205 5.673 1.00 0.84 C ATOM 268 C MET A 20 14.309 -9.956 4.355 1.00 0.81 C ATOM 269 O MET A 20 14.699 -8.814 4.117 1.00 0.84 O ATOM 270 CB MET A 20 12.449 -11.238 5.618 1.00 0.88 C ATOM 271 CG MET A 20 11.169 -10.825 4.895 1.00 0.88 C ATOM 272 SD MET A 20 11.179 -11.134 3.125 1.00 0.88 S ATOM 273 CE MET A 20 9.517 -10.565 2.723 1.00 0.58 C ATOM 0 H MET A 20 13.232 -8.183 5.478 1.00 0.79 H new ATOM 0 HA MET A 20 14.330 -10.680 6.349 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.825 -12.144 5.143 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.185 -11.501 6.642 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.328 -11.358 5.339 1.00 0.88 H new ATOM 0 HG3 MET A 20 10.998 -9.762 5.064 1.00 0.88 H new ATOM 0 HE1 MET A 20 9.282 -10.827 1.691 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.798 -11.040 3.391 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.464 -9.483 2.843 1.00 0.58 H new ATOM 283 N HIS A 21 14.491 -10.964 3.508 1.00 0.92 N ATOM 284 CA HIS A 21 15.244 -10.762 2.242 1.00 1.01 C ATOM 285 C HIS A 21 14.597 -9.733 1.330 1.00 0.82 C ATOM 286 O HIS A 21 15.273 -9.041 0.577 1.00 0.95 O ATOM 287 CB HIS A 21 15.530 -12.066 1.505 1.00 1.24 C ATOM 288 CG HIS A 21 16.569 -12.898 2.178 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.912 -12.770 1.921 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.467 -13.848 3.127 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.581 -13.595 2.681 1.00 2.75 C ATOM 292 NE2 HIS A 21 17.729 -14.260 3.418 1.00 2.66 N ATOM 0 H HIS A 21 14.144 -11.912 3.655 1.00 0.92 H new ATOM 0 HA HIS A 21 16.209 -10.355 2.543 1.00 1.01 H new ATOM 0 HB2 HIS A 21 14.608 -12.641 1.424 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.855 -11.840 0.489 1.00 1.24 H new ATOM 0 HD2 HIS A 21 15.554 -14.214 3.573 1.00 2.19 H new ATOM 0 HE1 HIS A 21 19.655 -13.709 2.698 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.973 -14.975 4.103 1.00 2.66 H new ATOM 301 N HIS A 22 13.314 -9.618 1.430 1.00 0.67 N ATOM 302 CA HIS A 22 12.578 -8.604 0.729 1.00 0.59 C ATOM 303 C HIS A 22 11.869 -7.780 1.770 1.00 0.49 C ATOM 304 O HIS A 22 11.789 -8.179 2.924 1.00 0.57 O ATOM 305 CB HIS A 22 11.549 -9.202 -0.240 1.00 0.76 C ATOM 306 CG HIS A 22 12.121 -9.906 -1.432 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.233 -9.308 -2.661 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.570 -11.174 -1.591 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.722 -10.173 -3.521 1.00 2.06 C ATOM 310 NE2 HIS A 22 12.935 -11.314 -2.904 1.00 2.46 N ATOM 0 H HIS A 22 12.735 -10.230 2.006 1.00 0.67 H new ATOM 0 HA HIS A 22 13.264 -8.005 0.130 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.923 -9.905 0.310 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.897 -8.402 -0.590 1.00 0.76 H new ATOM 0 HD1 HIS A 22 11.977 -8.344 -2.874 1.00 1.52 H new ATOM 0 HD2 HIS A 22 12.629 -11.933 -0.825 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.917 -9.978 -4.565 1.00 2.06 H new ATOM 319 N TRP A 23 11.388 -6.648 1.403 1.00 0.41 N ATOM 320 CA TRP A 23 10.670 -5.834 2.339 1.00 0.36 C ATOM 321 C TRP A 23 9.268 -5.653 1.858 1.00 0.32 C ATOM 322 O TRP A 23 9.032 -5.457 0.664 1.00 0.44 O ATOM 323 CB TRP A 23 11.382 -4.497 2.603 1.00 0.43 C ATOM 324 CG TRP A 23 12.652 -4.655 3.398 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.788 -5.283 3.001 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.913 -4.167 4.725 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.726 -5.248 3.993 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.224 -4.557 5.058 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.169 -3.443 5.658 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.805 -4.248 6.285 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.746 -3.135 6.874 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.052 -3.537 7.177 1.00 0.86 C ATOM 0 H TRP A 23 11.473 -6.257 0.465 1.00 0.41 H new ATOM 0 HA TRP A 23 10.640 -6.341 3.303 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.613 -4.020 1.650 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.705 -3.830 3.138 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.930 -5.746 2.036 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.653 -5.670 3.946 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.160 -3.129 5.433 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.812 -4.558 6.523 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.180 -2.575 7.603 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.474 -3.280 8.137 1.00 0.86 H new ATOM 343 N CYS A 24 8.350 -5.784 2.756 1.00 0.27 N ATOM 344 CA CYS A 24 6.954 -5.686 2.441 1.00 0.25 C ATOM 345 C CYS A 24 6.255 -4.849 3.467 1.00 0.23 C ATOM 346 O CYS A 24 6.487 -5.018 4.675 1.00 0.25 O ATOM 347 CB CYS A 24 6.320 -7.089 2.383 1.00 0.28 C ATOM 348 SG CYS A 24 4.482 -7.115 2.309 1.00 0.30 S ATOM 0 H CYS A 24 8.544 -5.964 3.741 1.00 0.27 H new ATOM 0 HA CYS A 24 6.847 -5.213 1.465 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.710 -7.611 1.509 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.640 -7.652 3.260 1.00 0.28 H new ATOM 353 N ILE A 25 5.473 -3.917 2.999 1.00 0.20 N ATOM 354 CA ILE A 25 4.625 -3.128 3.848 1.00 0.19 C ATOM 355 C ILE A 25 3.192 -3.641 3.668 1.00 0.18 C ATOM 356 O ILE A 25 2.597 -3.459 2.590 1.00 0.18 O ATOM 357 CB ILE A 25 4.693 -1.611 3.498 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.142 -1.101 3.620 1.00 0.25 C ATOM 359 CG2 ILE A 25 3.758 -0.810 4.411 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.327 0.365 3.288 1.00 0.30 C ATOM 0 H ILE A 25 5.406 -3.681 2.009 1.00 0.20 H new ATOM 0 HA ILE A 25 4.958 -3.227 4.881 1.00 0.19 H new ATOM 0 HB ILE A 25 4.365 -1.474 2.468 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.490 -1.276 4.638 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.778 -1.692 2.960 1.00 0.25 H new ATOM 0 HG21 ILE A 25 3.817 0.248 4.154 1.00 0.22 H new ATOM 0 HG22 ILE A 25 2.734 -1.159 4.279 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.058 -0.948 5.450 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.377 0.634 3.401 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.015 0.547 2.260 1.00 0.30 H new ATOM 0 HD13 ILE A 25 5.722 0.970 3.964 1.00 0.30 H new ATOM 372 N PRO A 26 2.658 -4.368 4.663 1.00 0.20 N ATOM 373 CA PRO A 26 1.299 -4.894 4.611 1.00 0.21 C ATOM 374 C PRO A 26 0.267 -3.797 4.875 1.00 0.21 C ATOM 375 O PRO A 26 0.449 -2.956 5.775 1.00 0.23 O ATOM 376 CB PRO A 26 1.259 -5.941 5.742 1.00 0.25 C ATOM 377 CG PRO A 26 2.658 -6.030 6.269 1.00 0.28 C ATOM 378 CD PRO A 26 3.330 -4.741 5.913 1.00 0.24 C ATOM 0 HA PRO A 26 1.059 -5.309 3.632 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.564 -5.642 6.527 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.920 -6.907 5.368 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.657 -6.181 7.348 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.185 -6.877 5.829 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.195 -3.986 6.687 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.404 -4.868 5.775 1.00 0.24 H new ATOM 386 N PHE A 27 -0.801 -3.797 4.115 1.00 0.23 N ATOM 387 CA PHE A 27 -1.820 -2.797 4.271 1.00 0.25 C ATOM 388 C PHE A 27 -3.203 -3.379 4.132 1.00 0.25 C ATOM 389 O PHE A 27 -3.428 -4.335 3.363 1.00 0.30 O ATOM 390 CB PHE A 27 -1.628 -1.632 3.279 1.00 0.27 C ATOM 391 CG PHE A 27 -1.726 -1.974 1.815 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.948 -1.938 1.153 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.590 -2.306 1.098 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.026 -2.233 -0.187 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.665 -2.600 -0.245 1.00 0.36 C ATOM 396 CZ PHE A 27 -1.884 -2.564 -0.887 1.00 0.37 C ATOM 0 H PHE A 27 -0.984 -4.482 3.381 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.720 -2.405 5.283 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.373 -0.868 3.502 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.650 -1.187 3.461 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.844 -1.676 1.696 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.367 -2.335 1.598 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -3.980 -2.206 -0.692 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.229 -2.858 -0.794 1.00 0.36 H new ATOM 0 HZ PHE A 27 -1.945 -2.795 -1.940 1.00 0.37 H new ATOM 406 N SER A 28 -4.111 -2.822 4.869 1.00 0.25 N ATOM 407 CA SER A 28 -5.476 -3.181 4.789 1.00 0.28 C ATOM 408 C SER A 28 -6.309 -1.936 4.560 1.00 0.24 C ATOM 409 O SER A 28 -6.275 -0.991 5.366 1.00 0.27 O ATOM 410 CB SER A 28 -5.904 -3.907 6.061 1.00 0.41 C ATOM 411 OG SER A 28 -5.576 -3.149 7.214 1.00 0.88 O ATOM 0 H SER A 28 -3.912 -2.092 5.553 1.00 0.25 H new ATOM 0 HA SER A 28 -5.629 -3.861 3.951 1.00 0.28 H new ATOM 0 HB2 SER A 28 -6.978 -4.090 6.035 1.00 0.41 H new ATOM 0 HB3 SER A 28 -5.416 -4.880 6.110 1.00 0.41 H new ATOM 0 HG SER A 28 -5.861 -3.634 8.016 1.00 0.88 H new ATOM 417 N VAL A 29 -6.991 -1.912 3.466 1.00 0.23 N ATOM 418 CA VAL A 29 -7.864 -0.833 3.127 1.00 0.21 C ATOM 419 C VAL A 29 -9.273 -1.383 2.968 1.00 0.21 C ATOM 420 O VAL A 29 -9.552 -2.182 2.068 1.00 0.27 O ATOM 421 CB VAL A 29 -7.366 -0.035 1.861 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.013 -0.953 0.709 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.407 0.968 1.407 1.00 0.26 C ATOM 0 H VAL A 29 -6.959 -2.654 2.767 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.864 -0.099 3.932 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.462 0.494 2.163 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.675 -0.358 -0.140 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.217 -1.632 1.016 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.892 -1.530 0.421 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -8.038 1.505 0.533 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.328 0.445 1.150 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.604 1.677 2.211 1.00 0.26 H new ATOM 433 N ASP A 30 -10.130 -1.036 3.882 1.00 0.27 N ATOM 434 CA ASP A 30 -11.476 -1.556 3.856 1.00 0.35 C ATOM 435 C ASP A 30 -12.444 -0.485 3.464 1.00 0.37 C ATOM 436 O ASP A 30 -12.188 0.708 3.681 1.00 0.48 O ATOM 437 CB ASP A 30 -11.893 -2.202 5.198 1.00 0.51 C ATOM 438 CG ASP A 30 -12.204 -1.216 6.305 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.259 -0.663 6.905 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.385 -0.950 6.569 1.00 1.30 O ATOM 0 H ASP A 30 -9.929 -0.399 4.653 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.495 -2.347 3.107 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.771 -2.826 5.028 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.093 -2.862 5.532 1.00 0.51 H new ATOM 445 N GLY A 31 -13.506 -0.915 2.852 1.00 0.37 N ATOM 446 CA GLY A 31 -14.562 -0.071 2.403 1.00 0.42 C ATOM 447 C GLY A 31 -15.301 -0.777 1.303 1.00 0.46 C ATOM 448 O GLY A 31 -14.688 -1.512 0.532 1.00 0.60 O ATOM 0 H GLY A 31 -13.663 -1.902 2.646 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -15.238 0.160 3.226 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -14.162 0.877 2.043 1.00 0.42 H new ATOM 452 N GLN A 32 -16.601 -0.606 1.226 1.00 0.55 N ATOM 453 CA GLN A 32 -17.366 -1.275 0.174 1.00 0.64 C ATOM 454 C GLN A 32 -17.135 -0.515 -1.162 1.00 0.61 C ATOM 455 O GLN A 32 -16.740 -1.136 -2.156 1.00 0.68 O ATOM 456 CB GLN A 32 -18.875 -1.408 0.537 1.00 0.76 C ATOM 457 CG GLN A 32 -19.583 -2.675 0.002 1.00 0.99 C ATOM 458 CD GLN A 32 -19.544 -2.834 -1.510 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.410 -2.333 -2.214 1.00 2.42 O ATOM 460 NE2 GLN A 32 -18.586 -3.569 -2.012 1.00 2.61 N ATOM 0 H GLN A 32 -17.150 -0.025 1.859 1.00 0.55 H new ATOM 0 HA GLN A 32 -17.012 -2.300 0.064 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.972 -1.391 1.623 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.400 -0.532 0.156 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.123 -3.552 0.458 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.624 -2.657 0.325 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -17.878 -3.973 -1.398 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -18.546 -3.738 -3.017 1.00 2.61 H new ATOM 469 N PRO A 33 -17.356 0.845 -1.223 1.00 0.59 N ATOM 470 CA PRO A 33 -16.986 1.612 -2.397 1.00 0.62 C ATOM 471 C PRO A 33 -15.472 1.629 -2.519 1.00 0.53 C ATOM 472 O PRO A 33 -14.769 2.090 -1.604 1.00 0.44 O ATOM 473 CB PRO A 33 -17.504 3.028 -2.114 1.00 0.67 C ATOM 474 CG PRO A 33 -18.475 2.868 -1.009 1.00 0.78 C ATOM 475 CD PRO A 33 -17.980 1.714 -0.210 1.00 0.63 C ATOM 0 HA PRO A 33 -17.394 1.202 -3.321 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.691 3.696 -1.831 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.978 3.458 -2.996 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -18.531 3.771 -0.401 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -19.478 2.679 -1.392 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.263 2.028 0.548 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.792 1.207 0.310 1.00 0.63 H new ATOM 483 N ALA A 34 -14.988 1.134 -3.622 1.00 0.62 N ATOM 484 CA ALA A 34 -13.574 0.961 -3.849 1.00 0.60 C ATOM 485 C ALA A 34 -12.845 2.294 -3.956 1.00 0.52 C ATOM 486 O ALA A 34 -13.219 3.145 -4.763 1.00 0.63 O ATOM 487 CB ALA A 34 -13.359 0.144 -5.101 1.00 0.78 C ATOM 0 H ALA A 34 -15.570 0.833 -4.404 1.00 0.62 H new ATOM 0 HA ALA A 34 -13.158 0.435 -2.990 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.290 0.014 -5.272 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.829 -0.832 -4.984 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.802 0.660 -5.953 1.00 0.78 H new ATOM 493 N PRO A 35 -11.821 2.515 -3.125 1.00 0.39 N ATOM 494 CA PRO A 35 -11.014 3.715 -3.188 1.00 0.35 C ATOM 495 C PRO A 35 -9.805 3.539 -4.121 1.00 0.41 C ATOM 496 O PRO A 35 -9.392 2.404 -4.437 1.00 0.56 O ATOM 497 CB PRO A 35 -10.540 3.851 -1.751 1.00 0.29 C ATOM 498 CG PRO A 35 -10.324 2.446 -1.307 1.00 0.31 C ATOM 499 CD PRO A 35 -11.380 1.621 -2.017 1.00 0.37 C ATOM 0 HA PRO A 35 -11.560 4.576 -3.574 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.622 4.435 -1.687 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.282 4.355 -1.132 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.322 2.104 -1.565 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.422 2.359 -0.225 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.972 0.683 -2.394 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.206 1.365 -1.353 1.00 0.37 H new ATOM 507 N SER A 36 -9.269 4.636 -4.560 1.00 0.39 N ATOM 508 CA SER A 36 -8.095 4.631 -5.374 1.00 0.44 C ATOM 509 C SER A 36 -6.911 4.863 -4.448 1.00 0.37 C ATOM 510 O SER A 36 -6.871 5.861 -3.722 1.00 0.41 O ATOM 511 CB SER A 36 -8.191 5.740 -6.442 1.00 0.57 C ATOM 512 OG SER A 36 -7.101 5.703 -7.370 1.00 1.37 O ATOM 0 H SER A 36 -9.637 5.566 -4.362 1.00 0.39 H new ATOM 0 HA SER A 36 -7.981 3.684 -5.901 1.00 0.44 H new ATOM 0 HB2 SER A 36 -9.130 5.636 -6.985 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.213 6.713 -5.950 1.00 0.57 H new ATOM 0 HG SER A 36 -7.206 6.422 -8.027 1.00 1.37 H new ATOM 518 N LEU A 37 -5.996 3.929 -4.422 1.00 0.33 N ATOM 519 CA LEU A 37 -4.837 4.039 -3.564 1.00 0.30 C ATOM 520 C LEU A 37 -3.743 4.832 -4.236 1.00 0.32 C ATOM 521 O LEU A 37 -3.739 4.987 -5.462 1.00 0.50 O ATOM 522 CB LEU A 37 -4.309 2.665 -3.167 1.00 0.32 C ATOM 523 CG LEU A 37 -5.229 1.794 -2.318 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.578 0.460 -2.089 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.512 2.459 -0.985 1.00 0.27 C ATOM 0 H LEU A 37 -6.028 3.080 -4.986 1.00 0.33 H new ATOM 0 HA LEU A 37 -5.150 4.563 -2.661 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.068 2.117 -4.078 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.375 2.804 -2.622 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.173 1.659 -2.846 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.233 -0.165 -1.482 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.398 -0.026 -3.048 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.630 0.602 -1.571 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.170 1.823 -0.393 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.576 2.611 -0.448 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.994 3.422 -1.154 1.00 0.27 H new ATOM 537 N ARG A 38 -2.850 5.352 -3.439 1.00 0.23 N ATOM 538 CA ARG A 38 -1.728 6.110 -3.913 1.00 0.23 C ATOM 539 C ARG A 38 -0.657 6.122 -2.835 1.00 0.22 C ATOM 540 O ARG A 38 -0.980 6.241 -1.649 1.00 0.26 O ATOM 541 CB ARG A 38 -2.185 7.543 -4.238 1.00 0.28 C ATOM 542 CG ARG A 38 -1.121 8.440 -4.837 1.00 0.33 C ATOM 543 CD ARG A 38 -0.515 7.817 -6.083 1.00 1.28 C ATOM 544 NE ARG A 38 -1.531 7.383 -7.047 1.00 1.98 N ATOM 545 CZ ARG A 38 -1.348 6.429 -7.977 1.00 3.10 C ATOM 546 NH1 ARG A 38 -0.184 5.792 -8.072 1.00 3.72 N ATOM 547 NH2 ARG A 38 -2.328 6.105 -8.792 1.00 3.78 N ATOM 0 H ARG A 38 -2.884 5.258 -2.424 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.319 5.661 -4.818 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -3.025 7.491 -4.930 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.554 8.006 -3.323 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.556 9.408 -5.086 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.338 8.622 -4.101 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.148 8.539 -6.560 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.097 6.962 -5.796 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.443 7.838 -7.009 1.00 1.98 H new ATOM 0 HH11 ARG A 38 0.579 6.026 -7.436 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -0.054 5.070 -8.780 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -3.229 6.578 -8.719 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -2.187 5.381 -9.497 1.00 3.78 H new ATOM 561 N TRP A 39 0.588 5.959 -3.225 1.00 0.22 N ATOM 562 CA TRP A 39 1.684 5.996 -2.286 1.00 0.22 C ATOM 563 C TRP A 39 2.465 7.287 -2.401 1.00 0.20 C ATOM 564 O TRP A 39 2.846 7.714 -3.506 1.00 0.26 O ATOM 565 CB TRP A 39 2.662 4.836 -2.501 1.00 0.25 C ATOM 566 CG TRP A 39 2.106 3.477 -2.253 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.555 2.642 -3.172 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.069 2.782 -1.001 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.176 1.473 -2.577 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.476 1.531 -1.243 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.477 3.099 0.301 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.283 0.592 -0.234 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.284 2.165 1.302 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.692 0.926 1.030 1.00 0.26 C ATOM 0 H TRP A 39 0.866 5.799 -4.193 1.00 0.22 H new ATOM 0 HA TRP A 39 1.233 5.916 -1.297 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.029 4.878 -3.526 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.522 4.983 -1.848 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.434 2.870 -4.221 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.739 0.683 -3.051 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.933 4.054 0.519 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.827 -0.365 -0.440 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.595 2.395 2.310 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.555 0.218 1.834 1.00 0.26 H new ATOM 585 N LEU A 40 2.679 7.916 -1.290 1.00 0.25 N ATOM 586 CA LEU A 40 3.564 9.035 -1.229 1.00 0.24 C ATOM 587 C LEU A 40 4.792 8.610 -0.475 1.00 0.27 C ATOM 588 O LEU A 40 4.703 7.878 0.514 1.00 0.34 O ATOM 589 CB LEU A 40 2.933 10.283 -0.588 1.00 0.31 C ATOM 590 CG LEU A 40 1.795 10.952 -1.359 1.00 0.49 C ATOM 591 CD1 LEU A 40 1.273 12.152 -0.590 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.279 11.390 -2.720 1.00 0.95 C ATOM 0 H LEU A 40 2.246 7.669 -0.400 1.00 0.25 H new ATOM 0 HA LEU A 40 3.811 9.332 -2.248 1.00 0.24 H new ATOM 0 HB2 LEU A 40 2.559 10.007 0.398 1.00 0.31 H new ATOM 0 HB3 LEU A 40 3.720 11.021 -0.435 1.00 0.31 H new ATOM 0 HG LEU A 40 0.987 10.231 -1.482 1.00 0.49 H new ATOM 0 HD11 LEU A 40 0.463 12.619 -1.150 1.00 0.66 H new ATOM 0 HD12 LEU A 40 0.902 11.828 0.382 1.00 0.66 H new ATOM 0 HD13 LEU A 40 2.079 12.872 -0.449 1.00 0.66 H new ATOM 0 HD21 LEU A 40 1.461 11.865 -3.261 1.00 0.95 H new ATOM 0 HD22 LEU A 40 3.098 12.100 -2.604 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.628 10.522 -3.279 1.00 0.95 H new ATOM 604 N PHE A 41 5.909 9.004 -0.968 1.00 0.28 N ATOM 605 CA PHE A 41 7.170 8.682 -0.393 1.00 0.35 C ATOM 606 C PHE A 41 7.908 9.972 -0.137 1.00 0.38 C ATOM 607 O PHE A 41 8.363 10.635 -1.072 1.00 0.41 O ATOM 608 CB PHE A 41 7.937 7.752 -1.342 1.00 0.45 C ATOM 609 CG PHE A 41 9.312 7.377 -0.892 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.383 7.508 -1.751 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.536 6.897 0.384 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.650 7.168 -1.347 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.803 6.558 0.791 1.00 0.74 C ATOM 614 CZ PHE A 41 11.860 6.691 -0.071 1.00 0.86 C ATOM 0 H PHE A 41 5.976 9.577 -1.809 1.00 0.28 H new ATOM 0 HA PHE A 41 7.056 8.154 0.554 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.356 6.840 -1.480 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.010 8.234 -2.317 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.223 7.882 -2.752 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.707 6.787 1.068 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.481 7.274 -2.028 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.967 6.186 1.792 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.856 6.422 0.249 1.00 0.86 H new ATOM 624 N ASN A 42 7.936 10.363 1.127 1.00 0.46 N ATOM 625 CA ASN A 42 8.539 11.619 1.586 1.00 0.57 C ATOM 626 C ASN A 42 7.790 12.803 1.013 1.00 0.53 C ATOM 627 O ASN A 42 8.342 13.884 0.816 1.00 0.69 O ATOM 628 CB ASN A 42 10.050 11.709 1.274 1.00 0.73 C ATOM 629 CG ASN A 42 10.895 10.788 2.129 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.562 10.505 3.281 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.975 10.298 1.582 1.00 1.72 N ATOM 0 H ASN A 42 7.534 9.810 1.884 1.00 0.46 H new ATOM 0 HA ASN A 42 8.452 11.638 2.672 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.212 11.468 0.223 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.383 12.736 1.420 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.571 9.661 2.111 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.223 10.552 0.626 1.00 1.72 H new ATOM 638 N GLY A 43 6.514 12.584 0.746 1.00 0.45 N ATOM 639 CA GLY A 43 5.669 13.607 0.181 1.00 0.51 C ATOM 640 C GLY A 43 5.695 13.599 -1.328 1.00 0.47 C ATOM 641 O GLY A 43 4.888 14.248 -1.974 1.00 0.61 O ATOM 0 H GLY A 43 6.042 11.696 0.916 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.645 13.462 0.526 1.00 0.51 H new ATOM 0 HA3 GLY A 43 5.992 14.583 0.543 1.00 0.51 H new ATOM 645 N SER A 44 6.604 12.857 -1.881 1.00 0.38 N ATOM 646 CA SER A 44 6.767 12.768 -3.304 1.00 0.40 C ATOM 647 C SER A 44 5.971 11.599 -3.813 1.00 0.33 C ATOM 648 O SER A 44 5.748 10.630 -3.090 1.00 0.28 O ATOM 649 CB SER A 44 8.246 12.591 -3.598 1.00 0.51 C ATOM 650 OG SER A 44 9.004 13.599 -2.926 1.00 1.37 O ATOM 0 H SER A 44 7.264 12.287 -1.352 1.00 0.38 H new ATOM 0 HA SER A 44 6.409 13.669 -3.801 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.573 11.603 -3.275 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.421 12.649 -4.672 1.00 0.51 H new ATOM 0 HG SER A 44 9.957 13.476 -3.120 1.00 1.37 H new ATOM 656 N VAL A 45 5.510 11.703 -5.026 1.00 0.41 N ATOM 657 CA VAL A 45 4.723 10.664 -5.612 1.00 0.41 C ATOM 658 C VAL A 45 5.594 9.460 -5.906 1.00 0.39 C ATOM 659 O VAL A 45 6.539 9.542 -6.702 1.00 0.45 O ATOM 660 CB VAL A 45 4.004 11.125 -6.901 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.266 9.984 -7.526 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.030 12.236 -6.611 1.00 0.70 C ATOM 0 H VAL A 45 5.670 12.508 -5.632 1.00 0.41 H new ATOM 0 HA VAL A 45 3.951 10.395 -4.891 1.00 0.41 H new ATOM 0 HB VAL A 45 4.767 11.490 -7.588 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.766 10.327 -8.432 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.969 9.190 -7.778 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.524 9.603 -6.824 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.539 12.540 -7.535 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.281 11.887 -5.900 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.564 13.086 -6.187 1.00 0.70 H new ATOM 672 N LEU A 46 5.304 8.375 -5.239 1.00 0.37 N ATOM 673 CA LEU A 46 6.014 7.149 -5.440 1.00 0.40 C ATOM 674 C LEU A 46 5.363 6.433 -6.595 1.00 0.44 C ATOM 675 O LEU A 46 4.158 6.223 -6.587 1.00 0.51 O ATOM 676 CB LEU A 46 5.948 6.289 -4.172 1.00 0.44 C ATOM 677 CG LEU A 46 6.700 4.953 -4.206 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.191 5.173 -4.398 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.433 4.159 -2.936 1.00 0.61 C ATOM 0 H LEU A 46 4.564 8.321 -4.539 1.00 0.37 H new ATOM 0 HA LEU A 46 7.064 7.343 -5.657 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.337 6.877 -3.341 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.900 6.084 -3.954 1.00 0.44 H new ATOM 0 HG LEU A 46 6.333 4.378 -5.056 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.701 4.210 -4.419 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.364 5.695 -5.339 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.579 5.772 -3.574 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.974 3.214 -2.977 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.768 4.732 -2.071 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.365 3.962 -2.848 1.00 0.61 H new ATOM 691 N ASN A 47 6.124 6.111 -7.586 1.00 0.54 N ATOM 692 CA ASN A 47 5.595 5.440 -8.743 1.00 0.59 C ATOM 693 C ASN A 47 5.950 3.974 -8.655 1.00 0.53 C ATOM 694 O ASN A 47 7.122 3.636 -8.425 1.00 0.64 O ATOM 695 CB ASN A 47 6.189 6.037 -10.028 1.00 0.79 C ATOM 696 CG ASN A 47 5.592 5.447 -11.298 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.077 4.454 -11.838 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.561 6.070 -11.802 1.00 1.94 N ATOM 0 H ASN A 47 7.125 6.301 -7.625 1.00 0.54 H new ATOM 0 HA ASN A 47 4.513 5.566 -8.772 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.030 7.115 -10.027 1.00 0.79 H new ATOM 0 HB3 ASN A 47 7.267 5.874 -10.032 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.136 5.736 -12.667 1.00 1.94 H new ATOM 0 HD22 ASN A 47 4.181 6.891 -11.331 1.00 1.94 H new ATOM 705 N GLU A 48 4.950 3.111 -8.756 1.00 0.49 N ATOM 706 CA GLU A 48 5.181 1.682 -8.766 1.00 0.53 C ATOM 707 C GLU A 48 6.035 1.332 -9.973 1.00 0.53 C ATOM 708 O GLU A 48 5.605 1.481 -11.129 1.00 0.70 O ATOM 709 CB GLU A 48 3.874 0.868 -8.786 1.00 0.69 C ATOM 710 CG GLU A 48 2.861 1.232 -7.700 1.00 0.74 C ATOM 711 CD GLU A 48 1.938 2.359 -8.106 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.374 3.524 -8.065 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.767 2.113 -8.448 1.00 1.74 O ATOM 0 H GLU A 48 3.969 3.381 -8.832 1.00 0.49 H new ATOM 0 HA GLU A 48 5.696 1.419 -7.842 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.400 0.996 -9.759 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.122 -0.189 -8.689 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.266 0.352 -7.457 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.395 1.516 -6.793 1.00 0.74 H new ATOM 720 N THR A 49 7.217 0.876 -9.705 1.00 0.53 N ATOM 721 CA THR A 49 8.195 0.635 -10.708 1.00 0.58 C ATOM 722 C THR A 49 8.777 -0.784 -10.533 1.00 0.60 C ATOM 723 O THR A 49 8.249 -1.563 -9.727 1.00 0.65 O ATOM 724 CB THR A 49 9.303 1.754 -10.655 1.00 0.71 C ATOM 725 OG1 THR A 49 10.282 1.597 -11.705 1.00 1.57 O ATOM 726 CG2 THR A 49 10.001 1.783 -9.296 1.00 0.98 C ATOM 0 H THR A 49 7.533 0.657 -8.760 1.00 0.53 H new ATOM 0 HA THR A 49 7.740 0.681 -11.697 1.00 0.58 H new ATOM 0 HB THR A 49 8.791 2.704 -10.808 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.950 2.311 -11.639 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.759 2.566 -9.293 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.268 1.985 -8.515 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.474 0.819 -9.109 1.00 0.98 H new ATOM 734 N SER A 50 9.821 -1.114 -11.253 1.00 0.68 N ATOM 735 CA SER A 50 10.419 -2.440 -11.227 1.00 0.78 C ATOM 736 C SER A 50 10.922 -2.825 -9.814 1.00 0.72 C ATOM 737 O SER A 50 10.874 -3.985 -9.419 1.00 0.86 O ATOM 738 CB SER A 50 11.575 -2.442 -12.207 1.00 0.96 C ATOM 739 OG SER A 50 11.189 -1.813 -13.431 1.00 1.52 O ATOM 0 H SER A 50 10.291 -0.465 -11.884 1.00 0.68 H new ATOM 0 HA SER A 50 9.665 -3.177 -11.503 1.00 0.78 H new ATOM 0 HB2 SER A 50 12.428 -1.919 -11.775 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.894 -3.466 -12.401 1.00 0.96 H new ATOM 0 HG SER A 50 11.945 -1.819 -14.055 1.00 1.52 H new ATOM 745 N PHE A 51 11.372 -1.835 -9.067 1.00 0.64 N ATOM 746 CA PHE A 51 11.937 -2.055 -7.743 1.00 0.68 C ATOM 747 C PHE A 51 10.862 -2.121 -6.653 1.00 0.55 C ATOM 748 O PHE A 51 10.965 -2.913 -5.720 1.00 0.61 O ATOM 749 CB PHE A 51 12.930 -0.931 -7.397 1.00 0.87 C ATOM 750 CG PHE A 51 14.108 -0.817 -8.331 1.00 1.08 C ATOM 751 CD1 PHE A 51 15.292 -1.476 -8.054 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.033 -0.039 -9.477 1.00 1.16 C ATOM 753 CE1 PHE A 51 16.378 -1.366 -8.900 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.113 0.071 -10.327 1.00 1.37 C ATOM 755 CZ PHE A 51 16.287 -0.592 -10.039 1.00 1.52 C ATOM 0 H PHE A 51 11.358 -0.857 -9.357 1.00 0.64 H new ATOM 0 HA PHE A 51 12.447 -3.018 -7.774 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.395 0.019 -7.393 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.301 -1.092 -6.385 1.00 0.87 H new ATOM 0 HD1 PHE A 51 15.368 -2.084 -7.165 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.118 0.487 -9.706 1.00 1.16 H new ATOM 0 HE1 PHE A 51 17.297 -1.885 -8.671 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.039 0.676 -11.218 1.00 1.37 H new ATOM 0 HZ PHE A 51 17.134 -0.506 -10.704 1.00 1.52 H new ATOM 765 N ILE A 52 9.832 -1.308 -6.796 1.00 0.46 N ATOM 766 CA ILE A 52 8.819 -1.135 -5.754 1.00 0.39 C ATOM 767 C ILE A 52 7.449 -1.236 -6.410 1.00 0.37 C ATOM 768 O ILE A 52 7.118 -0.380 -7.225 1.00 0.43 O ATOM 769 CB ILE A 52 8.916 0.312 -5.155 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.376 0.719 -4.907 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.136 0.401 -3.843 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.548 2.163 -4.493 1.00 0.50 C ATOM 0 H ILE A 52 9.668 -0.748 -7.632 1.00 0.46 H new ATOM 0 HA ILE A 52 8.968 -1.886 -4.979 1.00 0.39 H new ATOM 0 HB ILE A 52 8.483 0.997 -5.884 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.795 0.077 -4.132 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.952 0.541 -5.815 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.214 1.411 -3.441 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.088 0.163 -4.026 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.549 -0.308 -3.125 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.606 2.373 -4.337 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.160 2.815 -5.276 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.002 2.344 -3.567 1.00 0.50 H new ATOM 784 N PHE A 53 6.661 -2.245 -6.089 1.00 0.33 N ATOM 785 CA PHE A 53 5.344 -2.369 -6.711 1.00 0.37 C ATOM 786 C PHE A 53 4.281 -2.796 -5.695 1.00 0.31 C ATOM 787 O PHE A 53 4.594 -3.403 -4.662 1.00 0.29 O ATOM 788 CB PHE A 53 5.378 -3.307 -7.945 1.00 0.48 C ATOM 789 CG PHE A 53 5.693 -4.761 -7.680 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.006 -5.167 -7.518 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.686 -5.710 -7.571 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.314 -6.487 -7.254 1.00 2.87 C ATOM 793 CE2 PHE A 53 4.992 -7.036 -7.310 1.00 2.02 C ATOM 794 CZ PHE A 53 6.238 -7.451 -7.238 1.00 2.89 C ATOM 0 H PHE A 53 6.896 -2.977 -5.419 1.00 0.33 H new ATOM 0 HA PHE A 53 5.061 -1.381 -7.074 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.409 -3.253 -8.441 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.117 -2.920 -8.647 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.801 -4.441 -7.599 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.655 -5.412 -7.691 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.333 -6.791 -7.064 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.190 -7.744 -7.162 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.456 -8.506 -7.167 1.00 2.89 H new ATOM 804 N THR A 54 3.037 -2.466 -5.985 1.00 0.35 N ATOM 805 CA THR A 54 1.932 -2.748 -5.096 1.00 0.35 C ATOM 806 C THR A 54 1.210 -4.022 -5.550 1.00 0.35 C ATOM 807 O THR A 54 0.544 -4.031 -6.593 1.00 0.40 O ATOM 808 CB THR A 54 0.929 -1.572 -5.106 1.00 0.39 C ATOM 809 OG1 THR A 54 1.635 -0.339 -4.892 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.104 -1.740 -4.004 1.00 0.44 C ATOM 0 H THR A 54 2.766 -1.993 -6.847 1.00 0.35 H new ATOM 0 HA THR A 54 2.323 -2.885 -4.088 1.00 0.35 H new ATOM 0 HB THR A 54 0.424 -1.557 -6.072 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.032 0.416 -5.057 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.801 -0.902 -4.028 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.650 -2.671 -4.156 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.397 -1.768 -3.037 1.00 0.44 H new ATOM 818 N GLU A 55 1.334 -5.074 -4.782 1.00 0.36 N ATOM 819 CA GLU A 55 0.712 -6.325 -5.128 1.00 0.42 C ATOM 820 C GLU A 55 -0.434 -6.605 -4.171 1.00 0.44 C ATOM 821 O GLU A 55 -0.240 -6.672 -2.949 1.00 0.57 O ATOM 822 CB GLU A 55 1.734 -7.461 -5.098 1.00 0.60 C ATOM 823 CG GLU A 55 1.183 -8.800 -5.554 1.00 1.21 C ATOM 824 CD GLU A 55 2.234 -9.869 -5.589 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.716 -10.200 -6.680 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.618 -10.386 -4.518 1.00 2.04 O ATOM 0 H GLU A 55 1.862 -5.088 -3.910 1.00 0.36 H new ATOM 0 HA GLU A 55 0.317 -6.258 -6.142 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.579 -7.193 -5.732 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.117 -7.564 -4.083 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.379 -9.106 -4.884 1.00 1.21 H new ATOM 0 HG3 GLU A 55 0.746 -8.691 -6.547 1.00 1.21 H new ATOM 833 N PHE A 56 -1.609 -6.739 -4.710 1.00 0.52 N ATOM 834 CA PHE A 56 -2.788 -6.998 -3.923 1.00 0.62 C ATOM 835 C PHE A 56 -3.085 -8.479 -3.918 1.00 0.73 C ATOM 836 O PHE A 56 -2.722 -9.197 -4.861 1.00 0.87 O ATOM 837 CB PHE A 56 -3.986 -6.282 -4.530 1.00 0.68 C ATOM 838 CG PHE A 56 -3.874 -4.798 -4.603 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.212 -4.004 -3.517 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.404 -4.194 -5.741 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.080 -2.638 -3.577 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.274 -2.834 -5.809 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.723 -2.042 -4.752 1.00 0.61 C ATOM 0 H PHE A 56 -1.783 -6.672 -5.713 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.610 -6.642 -2.908 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.146 -6.667 -5.537 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.872 -6.534 -3.948 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.583 -4.465 -2.614 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -3.133 -4.799 -6.594 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.258 -2.037 -2.697 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.825 -2.375 -6.678 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.787 -0.970 -4.862 1.00 0.61 H new ATOM 853 N LEU A 57 -3.738 -8.942 -2.890 1.00 0.77 N ATOM 854 CA LEU A 57 -4.164 -10.313 -2.855 1.00 0.93 C ATOM 855 C LEU A 57 -5.622 -10.337 -3.259 1.00 1.04 C ATOM 856 O LEU A 57 -6.293 -9.293 -3.217 1.00 1.04 O ATOM 857 CB LEU A 57 -3.902 -10.963 -1.457 1.00 1.01 C ATOM 858 CG LEU A 57 -4.608 -10.399 -0.207 1.00 0.99 C ATOM 859 CD1 LEU A 57 -6.060 -10.851 -0.131 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.862 -10.811 1.046 1.00 1.16 C ATOM 0 H LEU A 57 -3.987 -8.393 -2.067 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.586 -10.919 -3.553 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -4.168 -12.017 -1.533 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.829 -10.918 -1.273 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.604 -9.312 -0.284 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -6.525 -10.434 0.763 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.596 -10.504 -1.014 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -6.100 -11.939 -0.087 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -4.370 -10.407 1.921 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.835 -11.899 1.112 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.844 -10.424 1.007 1.00 1.16 H new ATOM 872 N GLU A 58 -6.091 -11.481 -3.682 1.00 1.18 N ATOM 873 CA GLU A 58 -7.458 -11.636 -4.123 1.00 1.31 C ATOM 874 C GLU A 58 -8.405 -11.604 -2.929 1.00 1.24 C ATOM 875 O GLU A 58 -8.337 -12.484 -2.073 1.00 1.32 O ATOM 876 CB GLU A 58 -7.611 -12.960 -4.848 1.00 1.61 C ATOM 877 CG GLU A 58 -6.781 -13.070 -6.112 1.00 2.01 C ATOM 878 CD GLU A 58 -7.120 -11.997 -7.106 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.249 -11.163 -7.410 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.274 -11.943 -7.585 1.00 2.90 O ATOM 0 H GLU A 58 -5.537 -12.336 -3.732 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.705 -10.815 -4.796 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.332 -13.768 -4.171 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.661 -13.105 -5.101 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.723 -13.006 -5.857 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.941 -14.048 -6.566 1.00 2.01 H new ATOM 887 N PRO A 59 -9.281 -10.594 -2.833 1.00 1.21 N ATOM 888 CA PRO A 59 -10.226 -10.481 -1.736 1.00 1.25 C ATOM 889 C PRO A 59 -11.388 -11.443 -1.931 1.00 1.26 C ATOM 890 O PRO A 59 -11.694 -11.858 -3.063 1.00 1.35 O ATOM 891 CB PRO A 59 -10.729 -9.021 -1.829 1.00 1.37 C ATOM 892 CG PRO A 59 -9.893 -8.377 -2.882 1.00 1.39 C ATOM 893 CD PRO A 59 -9.444 -9.488 -3.774 1.00 1.30 C ATOM 0 HA PRO A 59 -9.778 -10.720 -0.771 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.786 -8.986 -2.092 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.621 -8.507 -0.874 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.466 -7.635 -3.438 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.041 -7.858 -2.443 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.181 -9.714 -4.544 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.512 -9.248 -4.285 1.00 1.30 H new ATOM 901 N ALA A 60 -11.994 -11.828 -0.852 1.00 1.29 N ATOM 902 CA ALA A 60 -13.138 -12.689 -0.894 1.00 1.40 C ATOM 903 C ALA A 60 -14.352 -11.827 -1.128 1.00 1.40 C ATOM 904 O ALA A 60 -14.410 -10.694 -0.673 1.00 1.33 O ATOM 905 CB ALA A 60 -13.260 -13.450 0.410 1.00 1.53 C ATOM 0 H ALA A 60 -11.709 -11.554 0.088 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.043 -13.421 -1.696 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.132 -14.102 0.370 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.364 -14.051 0.566 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -13.372 -12.745 1.234 1.00 1.53 H new ATOM 911 N ALA A 61 -15.307 -12.385 -1.839 1.00 1.55 N ATOM 912 CA ALA A 61 -16.496 -11.683 -2.321 1.00 1.65 C ATOM 913 C ALA A 61 -17.327 -11.044 -1.221 1.00 1.59 C ATOM 914 O ALA A 61 -18.043 -10.086 -1.473 1.00 1.70 O ATOM 915 CB ALA A 61 -17.351 -12.622 -3.136 1.00 1.91 C ATOM 0 H ALA A 61 -15.285 -13.368 -2.110 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.134 -10.862 -2.939 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.235 -12.093 -3.492 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.779 -12.987 -3.989 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.658 -13.465 -2.517 1.00 1.91 H new ATOM 921 N ASN A 62 -17.252 -11.568 -0.026 1.00 1.52 N ATOM 922 CA ASN A 62 -18.006 -10.999 1.078 1.00 1.56 C ATOM 923 C ASN A 62 -17.158 -10.060 1.916 1.00 1.33 C ATOM 924 O ASN A 62 -17.643 -9.464 2.875 1.00 1.40 O ATOM 925 CB ASN A 62 -18.653 -12.084 1.948 1.00 1.82 C ATOM 926 CG ASN A 62 -19.776 -12.812 1.247 1.00 2.72 C ATOM 927 OD1 ASN A 62 -19.557 -13.819 0.573 1.00 3.49 O ATOM 928 ND2 ASN A 62 -20.978 -12.318 1.394 1.00 3.19 N ATOM 0 H ASN A 62 -16.684 -12.380 0.214 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.810 -10.410 0.637 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.891 -12.804 2.247 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -19.037 -11.629 2.861 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -21.774 -12.769 0.942 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -21.120 -11.482 1.960 1.00 3.19 H new ATOM 935 N GLU A 63 -15.904 -9.903 1.548 1.00 1.20 N ATOM 936 CA GLU A 63 -15.004 -9.018 2.260 1.00 1.07 C ATOM 937 C GLU A 63 -15.075 -7.624 1.699 1.00 0.90 C ATOM 938 O GLU A 63 -15.177 -7.432 0.478 1.00 0.97 O ATOM 939 CB GLU A 63 -13.548 -9.506 2.199 1.00 1.16 C ATOM 940 CG GLU A 63 -13.253 -10.735 3.030 1.00 1.31 C ATOM 941 CD GLU A 63 -13.414 -10.485 4.498 1.00 1.42 C ATOM 942 OE1 GLU A 63 -12.478 -9.936 5.127 1.00 1.48 O ATOM 943 OE2 GLU A 63 -14.464 -10.835 5.060 1.00 1.89 O ATOM 0 H GLU A 63 -15.481 -10.381 0.753 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.326 -9.016 3.301 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.294 -9.718 1.160 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.895 -8.698 2.528 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.919 -11.543 2.727 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.235 -11.069 2.831 1.00 1.31 H new ATOM 950 N THR A 64 -15.063 -6.667 2.577 1.00 0.80 N ATOM 951 CA THR A 64 -14.988 -5.288 2.200 1.00 0.74 C ATOM 952 C THR A 64 -13.573 -4.791 2.470 1.00 0.59 C ATOM 953 O THR A 64 -13.233 -3.641 2.207 1.00 0.61 O ATOM 954 CB THR A 64 -16.008 -4.451 3.001 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.872 -4.729 4.404 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.426 -4.758 2.560 1.00 1.15 C ATOM 0 H THR A 64 -15.105 -6.823 3.584 1.00 0.80 H new ATOM 0 HA THR A 64 -15.226 -5.183 1.141 1.00 0.74 H new ATOM 0 HB THR A 64 -15.806 -3.396 2.814 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.520 -4.194 4.908 1.00 1.30 H new ATOM 0 HG21 THR A 64 -18.126 -4.156 3.139 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.536 -4.524 1.501 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.637 -5.815 2.722 1.00 1.15 H new ATOM 964 N VAL A 65 -12.754 -5.679 3.013 1.00 0.53 N ATOM 965 CA VAL A 65 -11.393 -5.364 3.348 1.00 0.45 C ATOM 966 C VAL A 65 -10.481 -5.846 2.246 1.00 0.42 C ATOM 967 O VAL A 65 -10.540 -7.008 1.837 1.00 0.49 O ATOM 968 CB VAL A 65 -10.935 -6.033 4.661 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.605 -5.462 5.116 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.983 -5.924 5.744 1.00 0.61 C ATOM 0 H VAL A 65 -13.025 -6.638 3.230 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.341 -4.282 3.473 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.798 -7.096 4.461 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -9.299 -5.946 6.043 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.851 -5.639 4.349 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.708 -4.390 5.284 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.620 -6.408 6.651 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -12.186 -4.873 5.949 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.900 -6.413 5.414 1.00 0.61 H new ATOM 980 N ARG A 66 -9.646 -4.980 1.785 1.00 0.37 N ATOM 981 CA ARG A 66 -8.703 -5.293 0.758 1.00 0.36 C ATOM 982 C ARG A 66 -7.324 -5.330 1.384 1.00 0.34 C ATOM 983 O ARG A 66 -6.917 -4.371 2.058 1.00 0.41 O ATOM 984 CB ARG A 66 -8.764 -4.213 -0.307 1.00 0.42 C ATOM 985 CG ARG A 66 -7.916 -4.446 -1.540 1.00 1.13 C ATOM 986 CD ARG A 66 -8.030 -3.255 -2.483 1.00 1.10 C ATOM 987 NE ARG A 66 -9.432 -2.905 -2.729 1.00 0.82 N ATOM 988 CZ ARG A 66 -10.115 -3.106 -3.856 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.533 -3.648 -4.918 1.00 1.61 N ATOM 990 NH2 ARG A 66 -11.390 -2.768 -3.910 1.00 1.84 N ATOM 0 H ARG A 66 -9.595 -4.016 2.115 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.927 -6.257 0.300 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.802 -4.098 -0.621 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.461 -3.268 0.144 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.875 -4.595 -1.253 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -8.240 -5.355 -2.048 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.508 -2.399 -2.056 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -7.540 -3.488 -3.428 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.936 -2.463 -1.960 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.550 -3.917 -4.879 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -10.069 -3.796 -5.773 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -11.844 -2.357 -3.094 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -11.921 -2.918 -4.768 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.641 -6.426 1.230 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.299 -6.559 1.750 1.00 0.39 C ATOM 1006 C HIS A 67 -4.311 -6.617 0.620 1.00 0.35 C ATOM 1007 O HIS A 67 -4.613 -7.137 -0.466 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.133 -7.802 2.631 1.00 0.53 C ATOM 1009 CG HIS A 67 -5.858 -7.770 3.936 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.239 -7.497 5.132 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.143 -8.035 4.239 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.107 -7.602 6.108 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.275 -7.928 5.592 1.00 0.90 N ATOM 0 H HIS A 67 -6.990 -7.252 0.744 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.111 -5.683 2.371 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.472 -8.672 2.069 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.071 -7.945 2.829 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -7.926 -8.286 3.539 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -5.900 -7.448 7.157 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.136 -8.076 6.118 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.158 -6.081 0.853 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.128 -6.111 -0.123 1.00 0.31 C ATOM 1024 C GLY A 68 -0.788 -5.970 0.522 1.00 0.24 C ATOM 1025 O GLY A 68 -0.693 -5.833 1.758 1.00 0.26 O ATOM 0 H GLY A 68 -2.907 -5.612 1.724 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.173 -7.048 -0.679 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.278 -5.306 -0.842 1.00 0.31 H new ATOM 1029 N CYS A 69 0.227 -5.997 -0.280 1.00 0.21 N ATOM 1030 CA CYS A 69 1.575 -5.861 0.170 1.00 0.20 C ATOM 1031 C CYS A 69 2.339 -4.959 -0.776 1.00 0.19 C ATOM 1032 O CYS A 69 2.250 -5.104 -2.014 1.00 0.22 O ATOM 1033 CB CYS A 69 2.232 -7.265 0.229 1.00 0.25 C ATOM 1034 SG CYS A 69 4.065 -7.292 0.342 1.00 0.36 S ATOM 0 H CYS A 69 0.140 -6.117 -1.289 1.00 0.21 H new ATOM 0 HA CYS A 69 1.593 -5.415 1.164 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.827 -7.798 1.089 1.00 0.25 H new ATOM 0 HB3 CYS A 69 1.934 -7.821 -0.660 1.00 0.25 H new ATOM 1039 N LEU A 70 3.044 -4.002 -0.224 1.00 0.20 N ATOM 1040 CA LEU A 70 3.957 -3.218 -1.002 1.00 0.22 C ATOM 1041 C LEU A 70 5.270 -3.931 -0.899 1.00 0.23 C ATOM 1042 O LEU A 70 5.995 -3.782 0.092 1.00 0.24 O ATOM 1043 CB LEU A 70 4.094 -1.786 -0.470 1.00 0.24 C ATOM 1044 CG LEU A 70 4.989 -0.852 -1.305 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.391 -0.593 -2.673 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.239 0.453 -0.587 1.00 0.28 C ATOM 0 H LEU A 70 2.999 -3.751 0.764 1.00 0.20 H new ATOM 0 HA LEU A 70 3.605 -3.122 -2.029 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.100 -1.345 -0.404 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.491 -1.830 0.544 1.00 0.24 H new ATOM 0 HG LEU A 70 5.945 -1.357 -1.441 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.047 0.070 -3.237 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.282 -1.537 -3.207 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.413 -0.125 -2.560 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.874 1.091 -1.202 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.289 0.955 -0.404 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.735 0.256 0.364 1.00 0.28 H new ATOM 1058 N ARG A 71 5.534 -4.754 -1.862 1.00 0.30 N ATOM 1059 CA ARG A 71 6.693 -5.580 -1.833 1.00 0.35 C ATOM 1060 C ARG A 71 7.780 -4.994 -2.682 1.00 0.36 C ATOM 1061 O ARG A 71 7.566 -4.628 -3.850 1.00 0.42 O ATOM 1062 CB ARG A 71 6.351 -7.032 -2.232 1.00 0.51 C ATOM 1063 CG ARG A 71 5.732 -7.206 -3.615 1.00 1.20 C ATOM 1064 CD ARG A 71 5.235 -8.636 -3.836 1.00 1.20 C ATOM 1065 NE ARG A 71 6.293 -9.648 -3.688 1.00 1.43 N ATOM 1066 CZ ARG A 71 6.089 -10.984 -3.615 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.877 -11.506 -3.825 1.00 1.98 N ATOM 1068 NH2 ARG A 71 7.110 -11.792 -3.367 1.00 2.68 N ATOM 0 H ARG A 71 4.951 -4.871 -2.690 1.00 0.30 H new ATOM 0 HA ARG A 71 7.068 -5.617 -0.810 1.00 0.35 H new ATOM 0 HB2 ARG A 71 7.263 -7.628 -2.184 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.664 -7.441 -1.492 1.00 0.51 H new ATOM 0 HG2 ARG A 71 4.902 -6.510 -3.732 1.00 1.20 H new ATOM 0 HG3 ARG A 71 6.469 -6.955 -4.378 1.00 1.20 H new ATOM 0 HD2 ARG A 71 4.436 -8.849 -3.126 1.00 1.20 H new ATOM 0 HD3 ARG A 71 4.804 -8.714 -4.834 1.00 1.20 H new ATOM 0 HE ARG A 71 7.256 -9.316 -3.636 1.00 1.43 H new ATOM 0 HH11 ARG A 71 4.090 -10.896 -4.044 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.739 -12.515 -3.766 1.00 1.98 H new ATOM 0 HH21 ARG A 71 8.045 -11.406 -3.232 1.00 2.68 H new ATOM 0 HH22 ARG A 71 6.961 -12.800 -3.311 1.00 2.68 H new ATOM 1082 N LEU A 72 8.918 -4.831 -2.090 1.00 0.37 N ATOM 1083 CA LEU A 72 10.033 -4.340 -2.806 1.00 0.42 C ATOM 1084 C LEU A 72 10.804 -5.493 -3.378 1.00 0.44 C ATOM 1085 O LEU A 72 11.364 -6.345 -2.647 1.00 0.49 O ATOM 1086 CB LEU A 72 10.921 -3.414 -1.963 1.00 0.50 C ATOM 1087 CG LEU A 72 10.233 -2.149 -1.432 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.643 -2.344 -0.044 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.152 -0.965 -1.473 1.00 0.61 C ATOM 0 H LEU A 72 9.093 -5.034 -1.106 1.00 0.37 H new ATOM 0 HA LEU A 72 9.666 -3.719 -3.623 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.307 -3.981 -1.116 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.780 -3.115 -2.564 1.00 0.50 H new ATOM 0 HG LEU A 72 9.397 -1.947 -2.102 1.00 0.70 H new ATOM 0 HD11 LEU A 72 9.169 -1.419 0.283 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.901 -3.142 -0.073 1.00 1.23 H new ATOM 0 HD13 LEU A 72 10.436 -2.612 0.654 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.632 -0.087 -1.090 1.00 0.61 H new ATOM 0 HD22 LEU A 72 12.030 -1.164 -0.858 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.464 -0.782 -2.501 1.00 0.61 H new ATOM 1101 N ASN A 73 10.765 -5.541 -4.693 1.00 0.56 N ATOM 1102 CA ASN A 73 11.409 -6.559 -5.492 1.00 0.72 C ATOM 1103 C ASN A 73 12.891 -6.469 -5.236 1.00 0.73 C ATOM 1104 O ASN A 73 13.541 -7.457 -4.927 1.00 0.87 O ATOM 1105 CB ASN A 73 11.109 -6.293 -6.978 1.00 0.90 C ATOM 1106 CG ASN A 73 11.451 -7.453 -7.906 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.362 -8.242 -7.655 1.00 2.18 O ATOM 1108 ND2 ASN A 73 10.721 -7.564 -8.985 1.00 1.84 N ATOM 0 H ASN A 73 10.267 -4.849 -5.253 1.00 0.56 H new ATOM 0 HA ASN A 73 11.045 -7.553 -5.234 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.050 -6.057 -7.086 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.666 -5.412 -7.297 1.00 0.90 H new ATOM 0 HD21 ASN A 73 10.900 -8.320 -9.646 1.00 1.84 H new ATOM 0 HD22 ASN A 73 9.973 -6.895 -9.166 1.00 1.84 H new ATOM 1115 N GLN A 74 13.403 -5.265 -5.334 1.00 0.66 N ATOM 1116 CA GLN A 74 14.776 -4.963 -5.016 1.00 0.72 C ATOM 1117 C GLN A 74 14.793 -3.688 -4.190 1.00 0.66 C ATOM 1118 O GLN A 74 14.625 -2.598 -4.730 1.00 0.69 O ATOM 1119 CB GLN A 74 15.613 -4.779 -6.302 1.00 0.86 C ATOM 1120 CG GLN A 74 15.859 -6.061 -7.089 1.00 1.58 C ATOM 1121 CD GLN A 74 16.756 -7.041 -6.347 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.977 -7.029 -6.499 1.00 2.82 O ATOM 1123 NE2 GLN A 74 16.180 -7.878 -5.544 1.00 2.58 N ATOM 0 H GLN A 74 12.866 -4.454 -5.643 1.00 0.66 H new ATOM 0 HA GLN A 74 15.216 -5.788 -4.455 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.107 -4.062 -6.949 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.575 -4.343 -6.034 1.00 0.86 H new ATOM 0 HG2 GLN A 74 14.904 -6.540 -7.304 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.314 -5.813 -8.048 1.00 1.58 H new ATOM 0 HE21 GLN A 74 15.166 -7.866 -5.437 1.00 2.58 H new ATOM 0 HE22 GLN A 74 16.741 -8.549 -5.019 1.00 2.58 H new ATOM 1132 N PRO A 75 14.929 -3.802 -2.867 1.00 0.75 N ATOM 1133 CA PRO A 75 15.004 -2.647 -1.999 1.00 0.84 C ATOM 1134 C PRO A 75 16.439 -2.091 -1.936 1.00 0.81 C ATOM 1135 O PRO A 75 17.414 -2.858 -1.927 1.00 0.83 O ATOM 1136 CB PRO A 75 14.558 -3.186 -0.628 1.00 1.06 C ATOM 1137 CG PRO A 75 14.325 -4.663 -0.810 1.00 1.25 C ATOM 1138 CD PRO A 75 14.978 -5.051 -2.102 1.00 0.93 C ATOM 0 HA PRO A 75 14.385 -1.820 -2.347 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.321 -3.003 0.129 1.00 1.06 H new ATOM 0 HB3 PRO A 75 13.649 -2.688 -0.291 1.00 1.06 H new ATOM 0 HG2 PRO A 75 14.749 -5.226 0.021 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.258 -4.885 -0.834 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.001 -5.396 -1.953 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.440 -5.856 -2.603 1.00 0.93 H new ATOM 1146 N THR A 76 16.566 -0.779 -1.894 1.00 0.86 N ATOM 1147 CA THR A 76 17.863 -0.125 -1.901 1.00 0.90 C ATOM 1148 C THR A 76 17.978 0.926 -0.768 1.00 0.84 C ATOM 1149 O THR A 76 17.013 1.107 -0.020 1.00 0.79 O ATOM 1150 CB THR A 76 18.151 0.512 -3.289 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.994 1.243 -3.750 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.535 -0.544 -4.322 1.00 1.22 C ATOM 0 H THR A 76 15.775 -0.136 -1.854 1.00 0.86 H new ATOM 0 HA THR A 76 18.620 -0.887 -1.713 1.00 0.90 H new ATOM 0 HB THR A 76 18.993 1.194 -3.171 1.00 1.07 H new ATOM 0 HG1 THR A 76 16.320 1.271 -3.039 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.729 -0.062 -5.280 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.432 -1.068 -3.991 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.719 -1.258 -4.434 1.00 1.22 H new ATOM 1160 N HIS A 77 19.106 1.643 -0.647 1.00 0.92 N ATOM 1161 CA HIS A 77 19.267 2.620 0.462 1.00 0.94 C ATOM 1162 C HIS A 77 18.341 3.827 0.273 1.00 0.81 C ATOM 1163 O HIS A 77 18.020 4.540 1.214 1.00 0.85 O ATOM 1164 CB HIS A 77 20.756 3.090 0.655 1.00 1.20 C ATOM 1165 CG HIS A 77 21.276 4.151 -0.312 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.998 3.868 -1.443 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.184 5.509 -0.271 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.324 4.989 -2.053 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.844 5.998 -1.363 1.00 1.72 N ATOM 0 H HIS A 77 19.904 1.575 -1.279 1.00 0.92 H new ATOM 0 HA HIS A 77 18.981 2.096 1.374 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.862 3.475 1.669 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.401 2.215 0.577 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.681 6.093 0.486 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.892 5.066 -2.969 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.947 6.984 -1.603 1.00 1.72 H new ATOM 1178 N VAL A 78 17.884 4.023 -0.955 1.00 0.83 N ATOM 1179 CA VAL A 78 17.029 5.161 -1.288 1.00 0.92 C ATOM 1180 C VAL A 78 15.640 4.990 -0.672 1.00 0.90 C ATOM 1181 O VAL A 78 14.853 5.918 -0.628 1.00 1.08 O ATOM 1182 CB VAL A 78 16.892 5.364 -2.828 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.254 5.428 -3.490 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.029 4.290 -3.477 1.00 1.14 C ATOM 0 H VAL A 78 18.090 3.408 -1.742 1.00 0.83 H new ATOM 0 HA VAL A 78 17.509 6.047 -0.872 1.00 0.92 H new ATOM 0 HB VAL A 78 16.387 6.318 -2.978 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.130 5.570 -4.564 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.821 6.262 -3.077 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.792 4.498 -3.307 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.964 4.475 -4.549 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.475 3.311 -3.304 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.029 4.315 -3.043 1.00 1.14 H new ATOM 1194 N ASN A 79 15.384 3.798 -0.161 1.00 0.78 N ATOM 1195 CA ASN A 79 14.095 3.434 0.381 1.00 0.90 C ATOM 1196 C ASN A 79 13.955 3.781 1.854 1.00 0.78 C ATOM 1197 O ASN A 79 13.034 3.308 2.532 1.00 0.96 O ATOM 1198 CB ASN A 79 13.813 1.956 0.135 1.00 1.13 C ATOM 1199 CG ASN A 79 13.713 1.668 -1.338 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.682 1.245 -1.984 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.579 1.943 -1.893 1.00 1.22 N ATOM 0 H ASN A 79 16.076 3.050 -0.112 1.00 0.78 H new ATOM 0 HA ASN A 79 13.348 4.028 -0.145 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.606 1.352 0.575 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.884 1.671 0.629 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.458 1.814 -2.898 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.805 2.289 -1.327 1.00 1.22 H new ATOM 1208 N ASN A 80 14.863 4.597 2.334 1.00 0.64 N ATOM 1209 CA ASN A 80 14.835 5.091 3.699 1.00 0.59 C ATOM 1210 C ASN A 80 14.054 6.379 3.720 1.00 0.56 C ATOM 1211 O ASN A 80 14.609 7.455 3.460 1.00 0.88 O ATOM 1212 CB ASN A 80 16.259 5.364 4.239 1.00 0.72 C ATOM 1213 CG ASN A 80 17.112 4.128 4.480 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.953 3.086 3.836 1.00 1.96 O ATOM 1215 ND2 ASN A 80 18.026 4.233 5.406 1.00 1.43 N ATOM 0 H ASN A 80 15.651 4.943 1.787 1.00 0.64 H new ATOM 0 HA ASN A 80 14.373 4.333 4.332 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.779 6.012 3.533 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.175 5.915 5.176 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.634 3.441 5.615 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.133 5.107 5.921 1.00 1.43 H new ATOM 1222 N GLY A 81 12.785 6.284 3.997 1.00 0.46 N ATOM 1223 CA GLY A 81 11.958 7.449 4.008 1.00 0.49 C ATOM 1224 C GLY A 81 10.575 7.155 4.506 1.00 0.43 C ATOM 1225 O GLY A 81 10.289 6.037 4.967 1.00 0.40 O ATOM 0 H GLY A 81 12.304 5.412 4.217 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.415 8.212 4.639 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.900 7.861 3.001 1.00 0.49 H new ATOM 1229 N ASN A 82 9.723 8.133 4.417 1.00 0.45 N ATOM 1230 CA ASN A 82 8.363 8.024 4.885 1.00 0.44 C ATOM 1231 C ASN A 82 7.433 7.596 3.767 1.00 0.37 C ATOM 1232 O ASN A 82 7.349 8.240 2.734 1.00 0.46 O ATOM 1233 CB ASN A 82 7.884 9.352 5.489 1.00 0.56 C ATOM 1234 CG ASN A 82 6.452 9.277 5.993 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.505 9.549 5.259 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.286 8.933 7.238 1.00 1.65 N ATOM 0 H ASN A 82 9.950 9.042 4.013 1.00 0.45 H new ATOM 0 HA ASN A 82 8.343 7.260 5.662 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.542 9.632 6.312 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.961 10.138 4.738 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.347 8.883 7.632 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.095 8.714 7.819 1.00 1.65 H new ATOM 1243 N TYR A 83 6.762 6.520 3.991 1.00 0.29 N ATOM 1244 CA TYR A 83 5.804 5.953 3.089 1.00 0.27 C ATOM 1245 C TYR A 83 4.404 6.292 3.614 1.00 0.28 C ATOM 1246 O TYR A 83 4.135 6.159 4.804 1.00 0.47 O ATOM 1247 CB TYR A 83 6.003 4.404 3.030 1.00 0.34 C ATOM 1248 CG TYR A 83 7.290 3.944 2.351 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.263 3.285 1.122 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.528 4.173 2.933 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.430 2.878 0.507 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.691 3.770 2.324 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.639 3.123 1.114 1.00 0.60 C ATOM 1254 OH TYR A 83 10.806 2.732 0.510 1.00 0.69 O ATOM 0 H TYR A 83 6.867 5.980 4.850 1.00 0.29 H new ATOM 0 HA TYR A 83 5.930 6.356 2.084 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.986 4.012 4.047 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.155 3.964 2.505 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.314 3.090 0.644 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.578 4.679 3.886 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.393 2.370 -0.445 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.644 3.961 2.795 1.00 0.55 H new ATOM 0 HH TYR A 83 11.568 3.012 1.059 1.00 0.69 H new ATOM 1264 N THR A 84 3.565 6.797 2.777 1.00 0.22 N ATOM 1265 CA THR A 84 2.208 7.094 3.156 1.00 0.23 C ATOM 1266 C THR A 84 1.247 6.520 2.132 1.00 0.22 C ATOM 1267 O THR A 84 1.413 6.737 0.929 1.00 0.26 O ATOM 1268 CB THR A 84 1.982 8.626 3.286 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.867 9.163 4.277 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.541 8.944 3.682 1.00 0.33 C ATOM 0 H THR A 84 3.791 7.020 1.808 1.00 0.22 H new ATOM 0 HA THR A 84 2.022 6.638 4.128 1.00 0.23 H new ATOM 0 HB THR A 84 2.184 9.077 2.315 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.795 8.996 4.011 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.416 10.024 3.765 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.139 8.557 2.923 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.316 8.478 4.642 1.00 0.33 H new ATOM 1278 N LEU A 85 0.277 5.772 2.598 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.731 5.231 1.730 1.00 0.19 C ATOM 1280 C LEU A 85 -1.964 6.080 1.841 1.00 0.18 C ATOM 1281 O LEU A 85 -2.467 6.326 2.952 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.068 3.779 2.083 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.079 3.082 1.173 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.576 3.062 -0.232 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.329 1.674 1.642 1.00 0.22 C ATOM 0 H LEU A 85 0.167 5.525 3.581 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.350 5.237 0.709 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.144 3.201 2.075 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.451 3.754 3.103 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.016 3.637 1.212 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.304 2.563 -0.872 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.427 4.084 -0.580 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.629 2.524 -0.272 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.051 1.194 0.982 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.394 1.114 1.626 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.723 1.694 2.658 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.410 6.562 0.728 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.586 7.365 0.653 1.00 0.22 C ATOM 1299 C LEU A 86 -4.637 6.583 -0.066 1.00 0.22 C ATOM 1300 O LEU A 86 -4.333 5.890 -1.035 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.351 8.677 -0.146 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.273 9.663 0.338 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.447 10.003 1.799 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.870 9.166 0.041 1.00 0.32 C ATOM 0 H LEU A 86 -1.958 6.406 -0.173 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.880 7.626 1.670 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.106 8.399 -1.171 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.298 9.216 -0.180 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.408 10.584 -0.229 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.668 10.701 2.105 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.425 10.460 1.952 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.374 9.094 2.395 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.143 9.894 0.400 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.708 8.212 0.544 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.751 9.034 -1.034 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.833 6.642 0.405 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.923 6.081 -0.325 1.00 0.23 C ATOM 1318 C ALA A 87 -7.863 7.194 -0.617 1.00 0.29 C ATOM 1319 O ALA A 87 -8.376 7.824 0.302 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.627 4.993 0.473 1.00 0.24 C ATOM 0 H ALA A 87 -6.085 7.073 1.294 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.561 5.614 -1.241 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.452 4.588 -0.113 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.920 4.196 0.704 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -8.014 5.415 1.401 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.086 7.442 -1.859 1.00 0.36 N ATOM 1327 CA ALA A 88 -8.968 8.481 -2.271 1.00 0.45 C ATOM 1328 C ALA A 88 -10.311 7.874 -2.528 1.00 0.37 C ATOM 1329 O ALA A 88 -10.432 6.902 -3.280 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.420 9.184 -3.493 1.00 0.61 C ATOM 0 H ALA A 88 -7.658 6.925 -2.627 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.063 9.238 -1.492 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.106 9.975 -3.796 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.447 9.617 -3.258 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.311 8.467 -4.307 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.294 8.408 -1.887 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.628 7.880 -1.913 1.00 0.58 C ATOM 1338 C ASN A 89 -13.561 9.057 -1.710 1.00 0.57 C ATOM 1339 O ASN A 89 -13.214 9.993 -0.998 1.00 0.55 O ATOM 1340 CB ASN A 89 -12.761 6.896 -0.730 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.090 6.165 -0.671 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.049 6.645 -0.065 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.153 4.999 -1.276 1.00 1.18 N ATOM 0 H ASN A 89 -11.196 9.246 -1.314 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.859 7.365 -2.845 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -11.958 6.161 -0.792 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.620 7.445 0.201 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.018 4.459 -1.253 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.337 4.635 -1.768 1.00 1.18 H new ATOM 1350 N PRO A 90 -14.752 9.049 -2.367 1.00 0.64 N ATOM 1351 CA PRO A 90 -15.749 10.139 -2.266 1.00 0.68 C ATOM 1352 C PRO A 90 -16.220 10.423 -0.833 1.00 0.56 C ATOM 1353 O PRO A 90 -16.793 11.477 -0.563 1.00 0.63 O ATOM 1354 CB PRO A 90 -16.925 9.633 -3.106 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.318 8.672 -4.060 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.208 8.000 -3.314 1.00 0.74 C ATOM 0 HA PRO A 90 -15.320 11.082 -2.605 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.678 9.151 -2.483 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.420 10.451 -3.629 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.054 7.945 -4.404 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -15.940 9.185 -4.944 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.556 7.109 -2.791 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.407 7.685 -3.982 1.00 0.74 H new ATOM 1364 N CYS A 91 -15.987 9.492 0.073 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.369 9.673 1.465 1.00 0.50 C ATOM 1366 C CYS A 91 -15.225 10.339 2.252 1.00 0.46 C ATOM 1367 O CYS A 91 -15.401 10.756 3.399 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.757 8.316 2.096 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.326 8.400 3.835 1.00 1.10 S ATOM 0 H CYS A 91 -15.534 8.600 -0.128 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.238 10.329 1.508 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.546 7.865 1.494 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.896 7.650 2.044 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.075 10.460 1.619 1.00 0.46 N ATOM 1375 CA GLY A 92 -12.929 11.049 2.257 1.00 0.58 C ATOM 1376 C GLY A 92 -11.670 10.276 1.938 1.00 0.49 C ATOM 1377 O GLY A 92 -11.738 9.093 1.579 1.00 0.59 O ATOM 0 H GLY A 92 -13.916 10.155 0.659 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -12.818 12.082 1.929 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.082 11.072 3.336 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.537 10.927 2.048 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.266 10.292 1.806 1.00 0.42 C ATOM 1383 C GLN A 93 -8.744 9.719 3.105 1.00 0.41 C ATOM 1384 O GLN A 93 -8.779 10.381 4.147 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.240 11.287 1.227 1.00 0.53 C ATOM 1386 CG GLN A 93 -6.844 10.694 1.028 1.00 0.58 C ATOM 1387 CD GLN A 93 -5.794 11.728 0.688 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -5.145 12.292 1.576 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.602 11.981 -0.572 1.00 1.33 N ATOM 0 H GLN A 93 -10.471 11.911 2.308 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.410 9.497 1.074 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -8.607 11.656 0.269 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.167 12.147 1.893 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.547 10.171 1.937 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -6.883 9.951 0.231 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.155 11.497 -1.279 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.898 12.663 -0.854 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.288 8.510 3.052 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.724 7.866 4.206 1.00 0.33 C ATOM 1400 C ALA A 94 -6.223 7.886 4.083 1.00 0.31 C ATOM 1401 O ALA A 94 -5.693 7.878 2.967 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.222 6.447 4.315 1.00 0.37 C ATOM 0 H ALA A 94 -8.293 7.936 2.209 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.028 8.398 5.107 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.785 5.974 5.195 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.308 6.449 4.406 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.934 5.891 3.423 1.00 0.37 H new ATOM 1408 N SER A 95 -5.546 7.911 5.199 1.00 0.36 N ATOM 1409 CA SER A 95 -4.124 8.019 5.216 1.00 0.37 C ATOM 1410 C SER A 95 -3.532 7.353 6.455 1.00 0.38 C ATOM 1411 O SER A 95 -4.139 7.369 7.538 1.00 0.57 O ATOM 1412 CB SER A 95 -3.755 9.504 5.158 1.00 0.43 C ATOM 1413 OG SER A 95 -4.579 10.260 6.063 1.00 0.50 O ATOM 0 H SER A 95 -5.974 7.856 6.123 1.00 0.36 H new ATOM 0 HA SER A 95 -3.707 7.501 4.353 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.704 9.635 5.417 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.882 9.878 4.142 1.00 0.43 H new ATOM 0 HG SER A 95 -4.331 11.207 6.017 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.394 6.734 6.273 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.629 6.147 7.350 1.00 0.27 C ATOM 1421 C ALA A 96 -0.160 6.336 7.015 1.00 0.23 C ATOM 1422 O ALA A 96 0.186 6.448 5.827 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.981 4.678 7.523 1.00 0.30 C ATOM 0 H ALA A 96 -1.962 6.620 5.356 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.859 6.632 8.299 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.393 4.257 8.339 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.042 4.583 7.753 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.760 4.140 6.601 1.00 0.30 H new ATOM 1429 N SER A 97 0.691 6.368 8.012 1.00 0.26 N ATOM 1430 CA SER A 97 2.088 6.675 7.808 1.00 0.28 C ATOM 1431 C SER A 97 2.993 5.519 8.255 1.00 0.25 C ATOM 1432 O SER A 97 2.826 4.950 9.345 1.00 0.38 O ATOM 1433 CB SER A 97 2.431 7.981 8.552 1.00 0.41 C ATOM 1434 OG SER A 97 3.795 8.358 8.406 1.00 1.26 O ATOM 0 H SER A 97 0.438 6.183 8.983 1.00 0.26 H new ATOM 0 HA SER A 97 2.268 6.813 6.742 1.00 0.28 H new ATOM 0 HB2 SER A 97 1.795 8.784 8.179 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.204 7.861 9.611 1.00 0.41 H new ATOM 0 HG SER A 97 3.958 9.192 8.895 1.00 1.26 H new ATOM 1440 N ILE A 98 3.925 5.174 7.402 1.00 0.25 N ATOM 1441 CA ILE A 98 4.903 4.134 7.640 1.00 0.28 C ATOM 1442 C ILE A 98 6.270 4.613 7.190 1.00 0.28 C ATOM 1443 O ILE A 98 6.465 4.947 6.061 1.00 0.30 O ATOM 1444 CB ILE A 98 4.503 2.767 6.928 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.705 1.823 6.721 1.00 0.72 C ATOM 1446 CG2 ILE A 98 3.816 3.005 5.607 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.430 1.422 7.960 1.00 0.37 C ATOM 0 H ILE A 98 4.030 5.622 6.492 1.00 0.25 H new ATOM 0 HA ILE A 98 4.933 3.927 8.710 1.00 0.28 H new ATOM 0 HB ILE A 98 3.807 2.278 7.610 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.354 0.921 6.219 1.00 0.72 H new ATOM 0 HG13 ILE A 98 6.413 2.307 6.048 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.559 2.048 5.153 1.00 0.39 H new ATOM 0 HG22 ILE A 98 2.908 3.585 5.769 1.00 0.39 H new ATOM 0 HG23 ILE A 98 4.484 3.554 4.943 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.255 0.759 7.700 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.820 2.310 8.457 1.00 0.37 H new ATOM 0 HD13 ILE A 98 5.745 0.903 8.630 1.00 0.37 H new ATOM 1459 N MET A 99 7.191 4.669 8.079 1.00 0.34 N ATOM 1460 CA MET A 99 8.518 5.067 7.715 1.00 0.41 C ATOM 1461 C MET A 99 9.415 3.862 7.728 1.00 0.40 C ATOM 1462 O MET A 99 9.530 3.186 8.743 1.00 0.51 O ATOM 1463 CB MET A 99 9.058 6.157 8.630 1.00 0.59 C ATOM 1464 CG MET A 99 10.374 6.714 8.140 1.00 0.85 C ATOM 1465 SD MET A 99 11.007 8.051 9.139 1.00 1.25 S ATOM 1466 CE MET A 99 12.364 8.554 8.094 1.00 1.18 C ATOM 0 H MET A 99 7.061 4.446 9.066 1.00 0.34 H new ATOM 0 HA MET A 99 8.488 5.490 6.711 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.328 6.963 8.701 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.187 5.754 9.635 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.111 5.911 8.115 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.250 7.065 7.116 1.00 0.85 H new ATOM 0 HE1 MET A 99 12.888 9.390 8.556 1.00 1.18 H new ATOM 0 HE2 MET A 99 13.053 7.720 7.966 1.00 1.18 H new ATOM 0 HE3 MET A 99 11.980 8.860 7.121 1.00 1.18 H new ATOM 1476 N ALA A 100 10.028 3.581 6.622 1.00 0.42 N ATOM 1477 CA ALA A 100 10.868 2.430 6.527 1.00 0.48 C ATOM 1478 C ALA A 100 12.303 2.844 6.324 1.00 0.48 C ATOM 1479 O ALA A 100 12.579 3.893 5.728 1.00 0.57 O ATOM 1480 CB ALA A 100 10.395 1.488 5.419 1.00 0.58 C ATOM 0 H ALA A 100 9.962 4.136 5.769 1.00 0.42 H new ATOM 0 HA ALA A 100 10.803 1.880 7.466 1.00 0.48 H new ATOM 0 HB1 ALA A 100 11.055 0.622 5.372 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.378 1.159 5.631 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.415 2.012 4.463 1.00 0.58 H new ATOM 1486 N ALA A 101 13.194 2.054 6.848 1.00 0.56 N ATOM 1487 CA ALA A 101 14.609 2.270 6.732 1.00 0.65 C ATOM 1488 C ALA A 101 15.240 0.947 6.393 1.00 0.66 C ATOM 1489 O ALA A 101 15.085 -0.027 7.123 1.00 0.77 O ATOM 1490 CB ALA A 101 15.169 2.811 8.039 1.00 0.84 C ATOM 0 H ALA A 101 12.952 1.219 7.382 1.00 0.56 H new ATOM 0 HA ALA A 101 14.824 3.003 5.955 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.242 2.970 7.937 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.683 3.757 8.279 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.983 2.094 8.839 1.00 0.84 H new ATOM 1496 N PHE A 102 15.898 0.907 5.264 1.00 0.75 N ATOM 1497 CA PHE A 102 16.516 -0.305 4.760 1.00 0.87 C ATOM 1498 C PHE A 102 17.920 -0.524 5.367 1.00 1.20 C ATOM 1499 O PHE A 102 18.100 -1.387 6.227 1.00 2.05 O ATOM 1500 CB PHE A 102 16.568 -0.257 3.221 1.00 0.97 C ATOM 1501 CG PHE A 102 17.056 -1.519 2.571 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.246 -2.624 2.517 1.00 2.20 C ATOM 1503 CD2 PHE A 102 18.314 -1.591 2.004 1.00 2.45 C ATOM 1504 CE1 PHE A 102 16.673 -3.784 1.914 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.751 -2.749 1.399 1.00 3.51 C ATOM 1506 CZ PHE A 102 17.929 -3.851 1.355 1.00 3.86 C ATOM 0 H PHE A 102 16.025 1.718 4.659 1.00 0.75 H new ATOM 0 HA PHE A 102 15.909 -1.157 5.064 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.570 -0.032 2.844 1.00 0.97 H new ATOM 0 HB3 PHE A 102 17.216 0.566 2.918 1.00 0.97 H new ATOM 0 HD1 PHE A 102 15.259 -2.583 2.954 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.963 -0.728 2.036 1.00 2.45 H new ATOM 0 HE1 PHE A 102 16.021 -4.644 1.879 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.737 -2.791 0.960 1.00 3.51 H new ATOM 0 HZ PHE A 102 18.267 -4.763 0.885 1.00 3.86 H new