USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 73:sc= 1.11 USER MOD Set 1.2: B 27 SER OG : rot 180:sc= 0.554 USER MOD Set 2.1: A 81 HIS : no HD1:sc= 0.0827 K(o=-0.46,f=-2.4) USER MOD Set 2.2: A 124 TYR OH : rot 85:sc= -0.547 USER MOD Set 3.1: A 92 GLN : amide:sc= -1.31 K(o=-1.4,f=-2.8!) USER MOD Set 3.2: A 93 GLN :FLIP amide:sc= -0.0705 F(o=-2.1,f=-1.4) USER MOD Set 4.1: A 74 CYS SG : rot -47:sc= 0.343 USER MOD Set 4.2: A 78 THR OG1 : rot -21:sc= 2.3 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.681) USER MOD Single : A 63 ASN : amide:sc= 0.304 K(o=0.3,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= -2.19! (180deg=-4.78!) USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 0.16 (180deg=-0.0984) USER MOD Single : A 76 MET CE :methyl -121:sc= -0.865 (180deg=-2.65!) USER MOD Single : A 77 GLN : amide:sc= -3.83! C(o=-3.8!,f=-7.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 96 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-3.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 102 SER OG : rot -86:sc= 0.782 USER MOD Single : A 106 CYS SG : rot 146:sc= 0.733 USER MOD Single : A 107 ASN : amide:sc= 0.519 K(o=0.52,f=-0.029) USER MOD Single : A 110 SER OG : rot -13:sc= 0.453 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 131 CYS SG : rot 157:sc= -0.774! USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0.0069) USER MOD Single : A 138 SER OG : rot -71:sc= -0.0904! USER MOD Single : B 29 SER OG : rot 180:sc= 0.0297 USER MOD Single : B 33 GLN : amide:sc= 0.407 X(o=0.41,f=-0.007) USER MOD Single : B 34 TYR OH : rot 20:sc= 0.427 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.954 6.003 -1.684 1.00 0.57 N ATOM 118 CA TYR A 59 -13.588 6.354 -1.331 1.00 0.44 C ATOM 119 C TYR A 59 -12.591 5.899 -2.385 1.00 0.41 C ATOM 120 O TYR A 59 -11.389 5.864 -2.133 1.00 0.42 O ATOM 121 CB TYR A 59 -13.257 5.690 -0.004 1.00 0.66 C ATOM 122 CG TYR A 59 -14.371 5.806 0.992 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.563 6.958 1.744 1.00 1.06 C ATOM 124 CD2 TYR A 59 -15.236 4.762 1.166 1.00 1.04 C ATOM 125 CE1 TYR A 59 -15.599 7.052 2.647 1.00 1.30 C ATOM 126 CE2 TYR A 59 -16.278 4.840 2.061 1.00 1.27 C ATOM 127 CZ TYR A 59 -16.398 6.049 2.861 1.00 1.34 C ATOM 128 OH TYR A 59 -17.501 6.078 3.693 1.00 1.64 O ATOM 0 HA TYR A 59 -13.515 7.439 -1.261 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -13.035 4.637 -0.174 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.356 6.143 0.410 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -13.890 7.793 1.619 1.00 1.06 H new ATOM 0 HD2 TYR A 59 -15.099 3.859 0.590 1.00 1.04 H new ATOM 0 HE1 TYR A 59 -15.750 7.975 3.187 1.00 1.30 H new ATOM 0 HE2 TYR A 59 -16.984 4.030 2.166 1.00 1.27 H new ATOM 0 HH TYR A 59 -17.940 5.202 3.685 1.00 1.64 H new ATOM 138 N LYS A 60 -13.093 5.551 -3.560 1.00 0.42 N ATOM 139 CA LYS A 60 -12.240 5.071 -4.631 1.00 0.43 C ATOM 140 C LYS A 60 -11.216 6.137 -4.997 1.00 0.40 C ATOM 141 O LYS A 60 -10.027 5.946 -4.780 1.00 0.41 O ATOM 142 CB LYS A 60 -13.084 4.680 -5.844 1.00 0.52 C ATOM 143 CG LYS A 60 -12.320 3.882 -6.893 1.00 1.16 C ATOM 144 CD LYS A 60 -13.208 3.500 -8.071 1.00 1.35 C ATOM 145 CE LYS A 60 -13.491 4.687 -8.980 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.275 5.138 -9.706 1.00 2.29 N ATOM 0 H LYS A 60 -14.085 5.593 -3.794 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.705 4.184 -4.293 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.939 4.094 -5.506 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.480 5.584 -6.306 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.474 4.469 -7.251 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.912 2.980 -6.437 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -12.727 2.709 -8.646 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.149 3.096 -7.699 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.263 4.416 -9.700 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.885 5.512 -8.386 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.553 5.724 -10.519 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -11.676 5.697 -9.066 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.744 4.309 -10.042 1.00 2.29 H new ATOM 160 N LEU A 61 -11.694 7.279 -5.489 1.00 0.45 N ATOM 161 CA LEU A 61 -10.819 8.379 -5.890 1.00 0.49 C ATOM 162 C LEU A 61 -9.911 8.803 -4.745 1.00 0.38 C ATOM 163 O LEU A 61 -8.745 9.130 -4.959 1.00 0.41 O ATOM 164 CB LEU A 61 -11.645 9.581 -6.348 1.00 0.62 C ATOM 165 CG LEU A 61 -12.710 10.064 -5.358 1.00 0.63 C ATOM 166 CD1 LEU A 61 -12.886 11.561 -5.471 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.041 9.374 -5.614 1.00 0.81 C ATOM 0 H LEU A 61 -12.688 7.467 -5.620 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.203 8.024 -6.716 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -10.966 10.408 -6.557 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.136 9.326 -7.287 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.374 9.813 -4.352 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.645 11.893 -4.763 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -11.941 12.056 -5.248 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.199 11.815 -6.484 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.781 9.733 -4.899 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.377 9.597 -6.627 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.920 8.297 -5.500 1.00 0.81 H new ATOM 179 N GLU A 62 -10.457 8.797 -3.536 1.00 0.33 N ATOM 180 CA GLU A 62 -9.697 9.130 -2.345 1.00 0.30 C ATOM 181 C GLU A 62 -8.447 8.296 -2.249 1.00 0.26 C ATOM 182 O GLU A 62 -7.347 8.829 -2.210 1.00 0.32 O ATOM 183 CB GLU A 62 -10.557 8.909 -1.105 1.00 0.41 C ATOM 184 CG GLU A 62 -11.344 10.130 -0.730 1.00 0.50 C ATOM 185 CD GLU A 62 -12.035 9.989 0.610 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.344 10.048 1.651 1.00 1.51 O ATOM 187 OE2 GLU A 62 -13.271 9.837 0.635 1.00 2.00 O ATOM 0 H GLU A 62 -11.433 8.562 -3.357 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.406 10.179 -2.409 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.241 8.080 -1.284 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.918 8.621 -0.270 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.678 10.992 -0.702 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -12.090 10.328 -1.500 1.00 0.50 H new ATOM 194 N ASN A 63 -8.624 6.996 -2.283 1.00 0.24 N ATOM 195 CA ASN A 63 -7.518 6.074 -2.107 1.00 0.23 C ATOM 196 C ASN A 63 -6.679 5.983 -3.375 1.00 0.21 C ATOM 197 O ASN A 63 -5.509 5.614 -3.323 1.00 0.22 O ATOM 198 CB ASN A 63 -8.050 4.703 -1.692 1.00 0.33 C ATOM 199 CG ASN A 63 -8.783 4.762 -0.363 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.437 5.551 0.511 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.812 3.943 -0.209 1.00 0.90 N ATOM 0 H ASN A 63 -9.528 6.547 -2.432 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.868 6.447 -1.315 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.723 4.326 -2.462 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.222 3.998 -1.619 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.347 3.954 0.659 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.069 3.301 -0.959 1.00 0.90 H new ATOM 208 N GLU A 64 -7.279 6.326 -4.508 1.00 0.23 N ATOM 209 CA GLU A 64 -6.554 6.419 -5.764 1.00 0.29 C ATOM 210 C GLU A 64 -5.530 7.547 -5.721 1.00 0.29 C ATOM 211 O GLU A 64 -4.347 7.329 -5.980 1.00 0.35 O ATOM 212 CB GLU A 64 -7.537 6.653 -6.905 1.00 0.38 C ATOM 213 CG GLU A 64 -8.463 5.482 -7.150 1.00 0.41 C ATOM 214 CD GLU A 64 -9.244 5.624 -8.435 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.314 6.259 -8.414 1.00 0.69 O ATOM 216 OE2 GLU A 64 -8.791 5.094 -9.474 1.00 0.88 O ATOM 0 H GLU A 64 -8.273 6.545 -4.580 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.021 5.482 -5.926 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.133 7.538 -6.685 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.979 6.863 -7.818 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.880 4.562 -7.182 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.157 5.390 -6.315 1.00 0.41 H new ATOM 223 N LYS A 65 -5.985 8.749 -5.369 1.00 0.27 N ATOM 224 CA LYS A 65 -5.090 9.898 -5.245 1.00 0.30 C ATOM 225 C LYS A 65 -4.147 9.675 -4.086 1.00 0.23 C ATOM 226 O LYS A 65 -2.971 10.019 -4.128 1.00 0.30 O ATOM 227 CB LYS A 65 -5.877 11.173 -4.989 1.00 0.39 C ATOM 228 CG LYS A 65 -6.984 11.426 -5.975 1.00 0.65 C ATOM 229 CD LYS A 65 -7.781 12.681 -5.631 1.00 1.23 C ATOM 230 CE LYS A 65 -6.986 13.968 -5.855 1.00 2.14 C ATOM 231 NZ LYS A 65 -5.884 14.159 -4.869 1.00 2.98 N ATOM 0 H LYS A 65 -6.964 8.952 -5.166 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.535 10.002 -6.178 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.303 11.128 -3.986 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.190 12.019 -5.006 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.562 11.527 -6.975 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.653 10.566 -5.997 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.686 12.708 -6.237 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.097 12.631 -4.589 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.566 13.957 -6.861 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.664 14.820 -5.801 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -5.858 15.154 -4.566 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -6.048 13.550 -4.042 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.976 13.907 -5.310 1.00 2.98 H new ATOM 245 N LEU A 66 -4.703 9.099 -3.047 1.00 0.16 N ATOM 246 CA LEU A 66 -3.976 8.802 -1.833 1.00 0.15 C ATOM 247 C LEU A 66 -2.796 7.874 -2.078 1.00 0.15 C ATOM 248 O LEU A 66 -1.661 8.188 -1.719 1.00 0.18 O ATOM 249 CB LEU A 66 -4.930 8.158 -0.852 1.00 0.15 C ATOM 250 CG LEU A 66 -5.218 8.991 0.366 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.499 8.525 1.044 1.00 0.24 C ATOM 252 CD2 LEU A 66 -4.020 8.901 1.277 1.00 0.22 C ATOM 0 H LEU A 66 -5.684 8.820 -3.019 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.574 9.735 -1.438 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.869 7.945 -1.363 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.515 7.201 -0.534 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.382 10.034 0.095 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.690 9.140 1.923 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.333 8.617 0.348 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.392 7.483 1.346 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.198 9.497 2.172 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.855 7.861 1.560 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.139 9.280 0.759 1.00 0.22 H new ATOM 264 N PHE A 67 -3.086 6.723 -2.661 1.00 0.14 N ATOM 265 CA PHE A 67 -2.072 5.724 -2.954 1.00 0.15 C ATOM 266 C PHE A 67 -0.910 6.326 -3.738 1.00 0.17 C ATOM 267 O PHE A 67 0.255 6.046 -3.450 1.00 0.20 O ATOM 268 CB PHE A 67 -2.682 4.566 -3.741 1.00 0.15 C ATOM 269 CG PHE A 67 -2.004 3.270 -3.462 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.840 2.914 -4.115 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.529 2.419 -2.517 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.212 1.718 -3.828 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.912 1.227 -2.222 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.750 0.871 -2.878 1.00 0.19 C ATOM 0 H PHE A 67 -4.029 6.455 -2.944 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.687 5.352 -2.004 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.740 4.480 -3.494 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.620 4.783 -4.807 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.418 3.576 -4.856 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.438 2.691 -2.000 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.697 1.446 -4.344 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.336 0.569 -1.478 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.264 -0.066 -2.649 1.00 0.19 H new ATOM 284 N GLU A 68 -1.222 7.167 -4.713 1.00 0.18 N ATOM 285 CA GLU A 68 -0.184 7.770 -5.529 1.00 0.23 C ATOM 286 C GLU A 68 0.582 8.851 -4.767 1.00 0.19 C ATOM 287 O GLU A 68 1.731 9.121 -5.099 1.00 0.24 O ATOM 288 CB GLU A 68 -0.728 8.313 -6.856 1.00 0.40 C ATOM 289 CG GLU A 68 -1.833 9.328 -6.715 1.00 0.54 C ATOM 290 CD GLU A 68 -2.236 9.933 -8.042 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.723 9.185 -8.916 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.073 11.158 -8.220 1.00 1.81 O ATOM 0 H GLU A 68 -2.174 7.443 -4.955 1.00 0.18 H new ATOM 0 HA GLU A 68 0.518 6.972 -5.770 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.093 8.765 -7.412 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.095 7.477 -7.452 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.701 8.854 -6.257 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.510 10.121 -6.041 1.00 0.54 H new ATOM 299 N GLU A 69 -0.018 9.462 -3.732 1.00 0.19 N ATOM 300 CA GLU A 69 0.721 10.430 -2.922 1.00 0.22 C ATOM 301 C GLU A 69 1.928 9.746 -2.297 1.00 0.20 C ATOM 302 O GLU A 69 2.986 10.348 -2.100 1.00 0.28 O ATOM 303 CB GLU A 69 -0.156 11.034 -1.828 1.00 0.26 C ATOM 304 CG GLU A 69 -1.333 11.814 -2.367 1.00 0.34 C ATOM 305 CD GLU A 69 -2.056 12.610 -1.300 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.392 13.098 -0.358 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.296 12.741 -1.386 1.00 1.78 O ATOM 0 H GLU A 69 -0.985 9.306 -3.446 1.00 0.19 H new ATOM 0 HA GLU A 69 1.046 11.242 -3.573 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.523 10.235 -1.184 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.452 11.691 -1.206 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.986 12.493 -3.146 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.035 11.124 -2.836 1.00 0.34 H new ATOM 314 N PHE A 70 1.744 8.470 -2.005 1.00 0.15 N ATOM 315 CA PHE A 70 2.791 7.628 -1.463 1.00 0.13 C ATOM 316 C PHE A 70 3.783 7.248 -2.556 1.00 0.13 C ATOM 317 O PHE A 70 4.989 7.325 -2.361 1.00 0.14 O ATOM 318 CB PHE A 70 2.150 6.380 -0.855 1.00 0.12 C ATOM 319 CG PHE A 70 3.069 5.551 -0.008 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.218 5.008 -0.540 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.758 5.287 1.311 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.044 4.212 0.220 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.584 4.496 2.086 1.00 0.11 C ATOM 324 CZ PHE A 70 4.728 3.956 1.539 1.00 0.11 C ATOM 0 H PHE A 70 0.856 7.987 -2.139 1.00 0.15 H new ATOM 0 HA PHE A 70 3.338 8.168 -0.690 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.297 6.685 -0.249 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.762 5.758 -1.662 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.474 5.210 -1.569 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.859 5.703 1.742 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.937 3.789 -0.215 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.334 4.301 3.118 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.375 3.335 2.140 1.00 0.11 H new ATOM 334 N LEU A 71 3.270 6.856 -3.711 1.00 0.14 N ATOM 335 CA LEU A 71 4.097 6.360 -4.795 1.00 0.15 C ATOM 336 C LEU A 71 4.965 7.432 -5.411 1.00 0.16 C ATOM 337 O LEU A 71 6.127 7.194 -5.729 1.00 0.18 O ATOM 338 CB LEU A 71 3.203 5.769 -5.849 1.00 0.17 C ATOM 339 CG LEU A 71 2.568 4.462 -5.441 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.706 3.957 -6.565 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.655 3.465 -5.082 1.00 0.16 C ATOM 0 H LEU A 71 2.272 6.873 -3.921 1.00 0.14 H new ATOM 0 HA LEU A 71 4.770 5.609 -4.382 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.417 6.485 -6.090 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.782 5.613 -6.759 1.00 0.17 H new ATOM 0 HG LEU A 71 1.936 4.604 -4.565 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.245 3.013 -6.274 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.928 4.688 -6.784 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.319 3.803 -7.453 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.199 2.520 -4.787 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.300 3.303 -5.946 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.248 3.855 -4.255 1.00 0.16 H new ATOM 353 N GLU A 72 4.396 8.599 -5.596 1.00 0.16 N ATOM 354 CA GLU A 72 5.126 9.724 -6.142 1.00 0.19 C ATOM 355 C GLU A 72 6.229 10.133 -5.174 1.00 0.18 C ATOM 356 O GLU A 72 7.302 10.579 -5.576 1.00 0.21 O ATOM 357 CB GLU A 72 4.154 10.857 -6.431 1.00 0.24 C ATOM 358 CG GLU A 72 3.048 10.431 -7.386 1.00 0.29 C ATOM 359 CD GLU A 72 3.474 10.512 -8.838 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.211 9.618 -9.298 1.00 1.17 O ATOM 361 OE2 GLU A 72 3.073 11.465 -9.532 1.00 1.21 O ATOM 0 H GLU A 72 3.420 8.798 -5.375 1.00 0.16 H new ATOM 0 HA GLU A 72 5.606 9.453 -7.083 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.712 11.203 -5.496 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.697 11.700 -6.858 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.746 9.409 -7.155 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.174 11.064 -7.231 1.00 0.29 H new ATOM 368 N LEU A 73 5.951 9.943 -3.893 1.00 0.16 N ATOM 369 CA LEU A 73 6.946 10.093 -2.850 1.00 0.16 C ATOM 370 C LEU A 73 7.957 8.954 -2.924 1.00 0.15 C ATOM 371 O LEU A 73 9.159 9.161 -2.759 1.00 0.18 O ATOM 372 CB LEU A 73 6.242 10.090 -1.494 1.00 0.16 C ATOM 373 CG LEU A 73 7.131 9.808 -0.290 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.309 11.057 0.554 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.531 8.678 0.525 1.00 0.16 C ATOM 0 H LEU A 73 5.027 9.680 -3.550 1.00 0.16 H new ATOM 0 HA LEU A 73 7.480 11.034 -2.982 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.764 11.059 -1.351 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.448 9.344 -1.519 1.00 0.16 H new ATOM 0 HG LEU A 73 8.119 9.506 -0.637 1.00 0.16 H new ATOM 0 HD11 LEU A 73 7.948 10.831 1.408 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.771 11.840 -0.048 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.336 11.398 0.908 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.166 8.474 1.387 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.536 8.964 0.866 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.459 7.782 -0.092 1.00 0.16 H new ATOM 387 N CYS A 74 7.460 7.752 -3.188 1.00 0.13 N ATOM 388 CA CYS A 74 8.301 6.580 -3.295 1.00 0.13 C ATOM 389 C CYS A 74 9.249 6.712 -4.492 1.00 0.15 C ATOM 390 O CYS A 74 10.388 6.269 -4.431 1.00 0.18 O ATOM 391 CB CYS A 74 7.420 5.334 -3.413 1.00 0.16 C ATOM 392 SG CYS A 74 8.255 3.786 -3.031 1.00 0.50 S ATOM 0 H CYS A 74 6.467 7.569 -3.332 1.00 0.13 H new ATOM 0 HA CYS A 74 8.916 6.486 -2.400 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.566 5.445 -2.745 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.026 5.278 -4.428 1.00 0.16 H new ATOM 0 HG CYS A 74 9.402 3.749 -3.642 1.00 0.50 H new ATOM 398 N LYS A 75 8.777 7.339 -5.576 1.00 0.18 N ATOM 399 CA LYS A 75 9.618 7.659 -6.720 1.00 0.22 C ATOM 400 C LYS A 75 10.829 8.497 -6.326 1.00 0.22 C ATOM 401 O LYS A 75 11.856 8.477 -7.001 1.00 0.26 O ATOM 402 CB LYS A 75 8.818 8.411 -7.767 1.00 0.28 C ATOM 403 CG LYS A 75 8.606 7.570 -8.992 1.00 0.57 C ATOM 404 CD LYS A 75 7.441 6.620 -8.826 1.00 0.61 C ATOM 405 CE LYS A 75 6.106 7.309 -9.050 1.00 0.38 C ATOM 406 NZ LYS A 75 5.942 7.782 -10.451 1.00 0.96 N ATOM 0 H LYS A 75 7.806 7.635 -5.678 1.00 0.18 H new ATOM 0 HA LYS A 75 9.974 6.712 -7.126 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.854 8.703 -7.352 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.340 9.329 -8.038 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.428 8.217 -9.851 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.511 7.001 -9.204 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.545 5.794 -9.529 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.464 6.191 -7.824 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.298 6.619 -8.805 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.019 8.157 -8.370 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.530 8.737 -10.449 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.870 7.806 -10.920 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.311 7.134 -10.965 1.00 0.96 H new ATOM 420 N MET A 76 10.699 9.238 -5.236 1.00 0.22 N ATOM 421 CA MET A 76 11.763 10.118 -4.788 1.00 0.26 C ATOM 422 C MET A 76 12.708 9.344 -3.899 1.00 0.25 C ATOM 423 O MET A 76 13.926 9.419 -4.030 1.00 0.32 O ATOM 424 CB MET A 76 11.199 11.303 -3.996 1.00 0.29 C ATOM 425 CG MET A 76 10.079 12.047 -4.696 1.00 0.27 C ATOM 426 SD MET A 76 9.697 13.630 -3.918 1.00 0.32 S ATOM 427 CE MET A 76 9.230 13.101 -2.271 1.00 0.35 C ATOM 0 H MET A 76 9.867 9.246 -4.647 1.00 0.22 H new ATOM 0 HA MET A 76 12.287 10.498 -5.665 1.00 0.26 H new ATOM 0 HB2 MET A 76 10.833 10.941 -3.035 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.008 12.003 -3.786 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.356 12.216 -5.736 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.184 11.425 -4.702 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.210 13.423 -2.061 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.287 12.014 -2.208 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.908 13.543 -1.541 1.00 0.35 H new ATOM 437 N GLN A 77 12.117 8.578 -3.004 1.00 0.21 N ATOM 438 CA GLN A 77 12.861 7.875 -1.987 1.00 0.22 C ATOM 439 C GLN A 77 13.476 6.588 -2.531 1.00 0.21 C ATOM 440 O GLN A 77 14.678 6.369 -2.411 1.00 0.24 O ATOM 441 CB GLN A 77 11.938 7.575 -0.816 1.00 0.23 C ATOM 442 CG GLN A 77 11.302 8.811 -0.190 1.00 0.30 C ATOM 443 CD GLN A 77 10.823 8.541 1.221 1.00 0.52 C ATOM 444 OE1 GLN A 77 11.406 7.726 1.932 1.00 0.98 O ATOM 445 NE2 GLN A 77 9.766 9.214 1.636 1.00 0.48 N ATOM 0 H GLN A 77 11.109 8.428 -2.964 1.00 0.21 H new ATOM 0 HA GLN A 77 13.684 8.507 -1.654 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.148 6.905 -1.153 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.502 7.043 -0.050 1.00 0.23 H new ATOM 0 HG2 GLN A 77 12.025 9.626 -0.179 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.462 9.138 -0.803 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.310 9.882 1.014 1.00 0.48 H new ATOM 0 HE22 GLN A 77 9.405 9.066 2.578 1.00 0.48 H new ATOM 454 N THR A 78 12.655 5.744 -3.141 1.00 0.18 N ATOM 455 CA THR A 78 13.142 4.508 -3.729 1.00 0.20 C ATOM 456 C THR A 78 13.556 4.747 -5.177 1.00 0.22 C ATOM 457 O THR A 78 13.252 3.963 -6.071 1.00 0.24 O ATOM 458 CB THR A 78 12.079 3.390 -3.658 1.00 0.20 C ATOM 459 OG1 THR A 78 10.939 3.717 -4.464 1.00 0.56 O ATOM 460 CG2 THR A 78 11.631 3.179 -2.223 1.00 0.42 C ATOM 0 H THR A 78 11.651 5.894 -3.240 1.00 0.18 H new ATOM 0 HA THR A 78 14.009 4.181 -3.154 1.00 0.20 H new ATOM 0 HB THR A 78 12.532 2.474 -4.038 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.912 4.685 -4.615 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.882 2.388 -2.188 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.488 2.894 -1.612 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.201 4.103 -1.836 1.00 0.42 H new ATOM 468 N ALA A 79 14.263 5.844 -5.393 1.00 0.25 N ATOM 469 CA ALA A 79 14.693 6.230 -6.724 1.00 0.30 C ATOM 470 C ALA A 79 15.772 5.286 -7.246 1.00 0.34 C ATOM 471 O ALA A 79 15.926 5.110 -8.453 1.00 0.42 O ATOM 472 CB ALA A 79 15.189 7.664 -6.702 1.00 0.32 C ATOM 0 H ALA A 79 14.553 6.487 -4.656 1.00 0.25 H new ATOM 0 HA ALA A 79 13.843 6.161 -7.403 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.512 7.953 -7.702 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.384 8.323 -6.376 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.028 7.748 -6.012 1.00 0.32 H new ATOM 478 N ASP A 80 16.511 4.676 -6.325 1.00 0.35 N ATOM 479 CA ASP A 80 17.547 3.711 -6.680 1.00 0.44 C ATOM 480 C ASP A 80 17.006 2.289 -6.527 1.00 0.38 C ATOM 481 O ASP A 80 17.674 1.304 -6.843 1.00 0.44 O ATOM 482 CB ASP A 80 18.778 3.920 -5.794 1.00 0.59 C ATOM 483 CG ASP A 80 19.957 3.060 -6.201 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.460 3.229 -7.331 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.378 2.201 -5.397 1.00 1.68 O ATOM 0 H ASP A 80 16.411 4.834 -5.322 1.00 0.35 H new ATOM 0 HA ASP A 80 17.840 3.860 -7.719 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.071 4.969 -5.832 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.515 3.699 -4.759 1.00 0.59 H new ATOM 490 N HIS A 81 15.779 2.199 -6.035 1.00 0.35 N ATOM 491 CA HIS A 81 15.079 0.930 -5.885 1.00 0.39 C ATOM 492 C HIS A 81 13.707 1.024 -6.554 1.00 0.34 C ATOM 493 O HIS A 81 12.676 0.897 -5.896 1.00 0.30 O ATOM 494 CB HIS A 81 14.902 0.598 -4.397 1.00 0.49 C ATOM 495 CG HIS A 81 16.169 0.673 -3.601 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.455 1.702 -2.727 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.224 -0.162 -3.548 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.632 1.492 -2.174 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.119 0.367 -2.652 1.00 1.12 N ATOM 0 H HIS A 81 15.238 3.007 -5.727 1.00 0.35 H new ATOM 0 HA HIS A 81 15.665 0.142 -6.357 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.173 1.285 -3.966 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.487 -0.406 -4.306 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.344 -1.078 -4.107 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.115 2.134 -1.452 1.00 2.11 H new ATOM 0 HE2 HIS A 81 19.017 -0.045 -2.398 1.00 1.12 H new ATOM 508 N PRO A 82 13.683 1.231 -7.882 1.00 0.39 N ATOM 509 CA PRO A 82 12.464 1.576 -8.625 1.00 0.39 C ATOM 510 C PRO A 82 11.489 0.411 -8.817 1.00 0.35 C ATOM 511 O PRO A 82 10.639 0.449 -9.705 1.00 0.39 O ATOM 512 CB PRO A 82 13.016 2.028 -9.974 1.00 0.50 C ATOM 513 CG PRO A 82 14.257 1.239 -10.145 1.00 0.53 C ATOM 514 CD PRO A 82 14.851 1.137 -8.778 1.00 0.48 C ATOM 0 HA PRO A 82 11.874 2.320 -8.090 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.307 1.834 -10.779 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.221 3.098 -9.981 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.042 0.252 -10.555 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.943 1.729 -10.836 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.385 0.197 -8.643 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.565 1.939 -8.591 1.00 0.48 H new ATOM 522 N GLU A 83 11.621 -0.628 -8.008 1.00 0.29 N ATOM 523 CA GLU A 83 10.702 -1.758 -8.073 1.00 0.26 C ATOM 524 C GLU A 83 9.520 -1.558 -7.131 1.00 0.19 C ATOM 525 O GLU A 83 8.435 -2.090 -7.360 1.00 0.22 O ATOM 526 CB GLU A 83 11.420 -3.061 -7.733 1.00 0.33 C ATOM 527 CG GLU A 83 12.530 -3.410 -8.704 1.00 0.49 C ATOM 528 CD GLU A 83 13.146 -4.758 -8.409 1.00 1.32 C ATOM 529 OE1 GLU A 83 12.546 -5.782 -8.801 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.221 -4.800 -7.775 1.00 2.05 O ATOM 0 H GLU A 83 12.351 -0.714 -7.301 1.00 0.29 H new ATOM 0 HA GLU A 83 10.326 -1.818 -9.094 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.837 -2.986 -6.729 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.694 -3.873 -7.716 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.135 -3.408 -9.720 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.303 -2.642 -8.661 1.00 0.49 H new ATOM 537 N VAL A 84 9.747 -0.785 -6.074 1.00 0.15 N ATOM 538 CA VAL A 84 8.751 -0.572 -5.025 1.00 0.11 C ATOM 539 C VAL A 84 7.437 -0.019 -5.569 1.00 0.11 C ATOM 540 O VAL A 84 6.370 -0.594 -5.363 1.00 0.13 O ATOM 541 CB VAL A 84 9.265 0.442 -4.000 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.324 0.493 -2.827 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.679 0.126 -3.558 1.00 0.14 C ATOM 0 H VAL A 84 10.624 -0.288 -5.919 1.00 0.15 H new ATOM 0 HA VAL A 84 8.578 -1.550 -4.575 1.00 0.11 H new ATOM 0 HB VAL A 84 9.298 1.424 -4.471 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.691 1.215 -2.098 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.333 0.793 -3.168 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.266 -0.492 -2.364 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.007 0.869 -2.831 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.705 -0.864 -3.103 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.343 0.146 -4.422 1.00 0.14 H new ATOM 553 N VAL A 85 7.541 1.111 -6.246 1.00 0.11 N ATOM 554 CA VAL A 85 6.383 1.814 -6.794 1.00 0.13 C ATOM 555 C VAL A 85 5.555 0.913 -7.721 1.00 0.15 C ATOM 556 O VAL A 85 4.358 0.738 -7.491 1.00 0.16 O ATOM 557 CB VAL A 85 6.827 3.088 -7.540 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.639 3.939 -7.932 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.796 3.882 -6.685 1.00 0.15 C ATOM 0 H VAL A 85 8.431 1.572 -6.434 1.00 0.11 H new ATOM 0 HA VAL A 85 5.747 2.098 -5.956 1.00 0.13 H new ATOM 0 HB VAL A 85 7.332 2.786 -8.457 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.986 4.829 -8.456 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.981 3.366 -8.586 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.092 4.235 -7.037 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.103 4.780 -7.221 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.310 4.166 -5.752 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.673 3.272 -6.467 1.00 0.15 H new ATOM 569 N PRO A 86 6.168 0.315 -8.772 1.00 0.17 N ATOM 570 CA PRO A 86 5.468 -0.633 -9.652 1.00 0.20 C ATOM 571 C PRO A 86 4.842 -1.789 -8.874 1.00 0.18 C ATOM 572 O PRO A 86 3.768 -2.272 -9.224 1.00 0.20 O ATOM 573 CB PRO A 86 6.568 -1.150 -10.581 1.00 0.23 C ATOM 574 CG PRO A 86 7.597 -0.077 -10.583 1.00 0.22 C ATOM 575 CD PRO A 86 7.564 0.525 -9.205 1.00 0.17 C ATOM 0 HA PRO A 86 4.640 -0.159 -10.179 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.980 -2.093 -10.221 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.185 -1.333 -11.585 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.583 -0.482 -10.809 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.378 0.673 -11.343 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.270 0.034 -8.535 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.824 1.583 -9.223 1.00 0.17 H new ATOM 583 N PHE A 87 5.522 -2.219 -7.815 1.00 0.16 N ATOM 584 CA PHE A 87 5.009 -3.280 -6.958 1.00 0.15 C ATOM 585 C PHE A 87 3.742 -2.816 -6.239 1.00 0.14 C ATOM 586 O PHE A 87 2.716 -3.494 -6.282 1.00 0.16 O ATOM 587 CB PHE A 87 6.083 -3.711 -5.947 1.00 0.17 C ATOM 588 CG PHE A 87 5.681 -4.845 -5.046 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.490 -5.528 -5.232 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.507 -5.227 -4.007 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.130 -6.564 -4.398 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.155 -6.263 -3.171 1.00 0.25 C ATOM 593 CZ PHE A 87 4.965 -6.931 -3.365 1.00 0.38 C ATOM 0 H PHE A 87 6.429 -1.848 -7.531 1.00 0.16 H new ATOM 0 HA PHE A 87 4.754 -4.141 -7.577 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.981 -4.000 -6.493 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.347 -2.852 -5.331 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.835 -5.244 -6.042 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.440 -4.707 -3.848 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.197 -7.086 -4.553 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.811 -6.552 -2.363 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.687 -7.742 -2.708 1.00 0.38 H new ATOM 603 N LEU A 88 3.808 -1.661 -5.588 1.00 0.12 N ATOM 604 CA LEU A 88 2.651 -1.132 -4.878 1.00 0.13 C ATOM 605 C LEU A 88 1.495 -0.904 -5.836 1.00 0.14 C ATOM 606 O LEU A 88 0.335 -1.125 -5.485 1.00 0.16 O ATOM 607 CB LEU A 88 2.999 0.162 -4.152 1.00 0.13 C ATOM 608 CG LEU A 88 4.032 0.017 -3.048 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.007 1.253 -2.161 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.763 -1.253 -2.251 1.00 0.20 C ATOM 0 H LEU A 88 4.643 -1.077 -5.537 1.00 0.12 H new ATOM 0 HA LEU A 88 2.348 -1.869 -4.134 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.367 0.883 -4.882 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.087 0.578 -3.724 1.00 0.13 H new ATOM 0 HG LEU A 88 5.029 -0.068 -3.481 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.749 1.148 -1.369 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.237 2.135 -2.759 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.017 1.363 -1.718 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.507 -1.351 -1.461 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.768 -1.201 -1.808 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.821 -2.117 -2.913 1.00 0.20 H new ATOM 622 N TYR A 89 1.821 -0.471 -7.047 1.00 0.16 N ATOM 623 CA TYR A 89 0.824 -0.365 -8.106 1.00 0.20 C ATOM 624 C TYR A 89 0.196 -1.730 -8.345 1.00 0.21 C ATOM 625 O TYR A 89 -1.022 -1.886 -8.312 1.00 0.25 O ATOM 626 CB TYR A 89 1.447 0.106 -9.426 1.00 0.22 C ATOM 627 CG TYR A 89 1.496 1.601 -9.631 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.341 2.322 -9.902 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.701 2.284 -9.588 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.387 3.686 -10.115 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.757 3.645 -9.803 1.00 0.37 C ATOM 632 CZ TYR A 89 1.597 4.343 -10.067 1.00 0.43 C ATOM 633 OH TYR A 89 1.650 5.700 -10.292 1.00 0.54 O ATOM 0 H TYR A 89 2.762 -0.189 -7.320 1.00 0.16 H new ATOM 0 HA TYR A 89 0.080 0.364 -7.785 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.463 -0.284 -9.486 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.886 -0.337 -10.249 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.608 1.809 -9.947 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.612 1.741 -9.383 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.521 4.235 -10.318 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.705 4.162 -9.765 1.00 0.37 H new ATOM 0 HH TYR A 89 2.578 6.007 -10.221 1.00 0.54 H new ATOM 643 N ASN A 90 1.067 -2.715 -8.536 1.00 0.19 N ATOM 644 CA ASN A 90 0.673 -4.079 -8.866 1.00 0.23 C ATOM 645 C ASN A 90 -0.259 -4.665 -7.824 1.00 0.22 C ATOM 646 O ASN A 90 -1.376 -5.067 -8.136 1.00 0.27 O ATOM 647 CB ASN A 90 1.912 -4.960 -8.981 1.00 0.27 C ATOM 648 CG ASN A 90 1.571 -6.402 -9.295 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.445 -7.232 -8.395 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.403 -6.706 -10.567 1.00 0.67 N ATOM 0 H ASN A 90 2.076 -2.587 -8.465 1.00 0.19 H new ATOM 0 HA ASN A 90 0.142 -4.046 -9.817 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.563 -4.566 -9.761 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.472 -4.918 -8.047 1.00 0.27 H new ATOM 0 HD21 ASN A 90 1.159 -7.659 -10.836 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.517 -5.988 -11.282 1.00 0.67 H new ATOM 657 N ARG A 91 0.206 -4.706 -6.585 1.00 0.19 N ATOM 658 CA ARG A 91 -0.559 -5.300 -5.496 1.00 0.20 C ATOM 659 C ARG A 91 -1.900 -4.588 -5.316 1.00 0.20 C ATOM 660 O ARG A 91 -2.885 -5.206 -4.925 1.00 0.22 O ATOM 661 CB ARG A 91 0.260 -5.266 -4.199 1.00 0.22 C ATOM 662 CG ARG A 91 -0.476 -5.790 -2.971 1.00 0.26 C ATOM 663 CD ARG A 91 -0.904 -7.242 -3.111 1.00 0.36 C ATOM 664 NE ARG A 91 0.222 -8.125 -3.421 1.00 0.80 N ATOM 665 CZ ARG A 91 0.892 -8.835 -2.509 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.580 -8.737 -1.222 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.886 -9.630 -2.886 1.00 1.25 N ATOM 0 H ARG A 91 1.114 -4.333 -6.306 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.770 -6.340 -5.747 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.167 -5.854 -4.342 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.573 -4.239 -4.009 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.168 -5.689 -2.097 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.356 -5.173 -2.791 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.376 -7.570 -2.185 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.654 -7.323 -3.898 1.00 0.36 H new ATOM 0 HE ARG A 91 0.513 -8.203 -4.395 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.174 -8.118 -0.926 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.095 -9.281 -0.530 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.138 -9.699 -3.872 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.398 -10.172 -2.190 1.00 1.25 H new ATOM 681 N GLN A 92 -1.935 -3.296 -5.623 1.00 0.19 N ATOM 682 CA GLN A 92 -3.167 -2.520 -5.517 1.00 0.21 C ATOM 683 C GLN A 92 -4.103 -2.866 -6.673 1.00 0.24 C ATOM 684 O GLN A 92 -5.319 -2.894 -6.511 1.00 0.26 O ATOM 685 CB GLN A 92 -2.851 -1.021 -5.481 1.00 0.23 C ATOM 686 CG GLN A 92 -3.961 -0.164 -4.885 1.00 0.34 C ATOM 687 CD GLN A 92 -4.903 0.410 -5.924 1.00 0.45 C ATOM 688 OE1 GLN A 92 -4.524 0.630 -7.071 1.00 0.71 O ATOM 689 NE2 GLN A 92 -6.129 0.684 -5.518 1.00 0.78 N ATOM 0 H GLN A 92 -1.127 -2.764 -5.947 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.672 -2.774 -4.585 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -1.939 -0.867 -4.905 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.648 -0.679 -6.496 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -4.534 -0.765 -4.179 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -3.514 0.654 -4.319 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.404 0.486 -4.556 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -6.801 1.094 -6.166 1.00 0.78 H new ATOM 698 N GLN A 93 -3.524 -3.142 -7.839 1.00 0.26 N ATOM 699 CA GLN A 93 -4.300 -3.584 -8.999 1.00 0.32 C ATOM 700 C GLN A 93 -4.827 -4.995 -8.763 1.00 0.34 C ATOM 701 O GLN A 93 -5.883 -5.376 -9.276 1.00 0.40 O ATOM 702 CB GLN A 93 -3.454 -3.584 -10.280 1.00 0.36 C ATOM 703 CG GLN A 93 -2.825 -2.250 -10.633 1.00 0.38 C ATOM 704 CD GLN A 93 -3.826 -1.128 -10.685 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.012 -0.488 -9.556 1.00 0.71 O flip ATOM 706 NE2 GLN A 93 -4.418 -0.837 -11.725 1.00 0.57 N flip ATOM 0 H GLN A 93 -2.521 -3.068 -8.007 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.126 -2.884 -9.126 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.662 -4.325 -10.174 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.081 -3.904 -11.112 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.056 -2.011 -9.899 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.328 -2.332 -11.600 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.239 -1.365 -12.579 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.087 -0.068 -11.733 1.00 0.57 H new ATOM 715 N ARG A 94 -4.070 -5.771 -7.995 1.00 0.33 N ATOM 716 CA ARG A 94 -4.439 -7.146 -7.688 1.00 0.38 C ATOM 717 C ARG A 94 -5.385 -7.186 -6.497 1.00 0.32 C ATOM 718 O ARG A 94 -6.023 -8.204 -6.228 1.00 0.46 O ATOM 719 CB ARG A 94 -3.197 -7.991 -7.398 1.00 0.47 C ATOM 720 CG ARG A 94 -2.179 -7.964 -8.523 1.00 0.70 C ATOM 721 CD ARG A 94 -2.793 -8.388 -9.845 1.00 0.95 C ATOM 722 NE ARG A 94 -3.278 -9.767 -9.812 1.00 1.67 N ATOM 723 CZ ARG A 94 -4.238 -10.240 -10.604 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.850 -9.443 -11.470 1.00 2.73 N ATOM 725 NH2 ARG A 94 -4.585 -11.519 -10.521 1.00 3.24 N ATOM 0 H ARG A 94 -3.193 -5.468 -7.572 1.00 0.33 H new ATOM 0 HA ARG A 94 -4.946 -7.564 -8.558 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.727 -7.632 -6.483 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.501 -9.022 -7.217 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.768 -6.959 -8.618 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.348 -8.626 -8.278 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.619 -7.720 -10.091 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -2.052 -8.284 -10.638 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.854 -10.407 -9.140 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.586 -8.460 -11.533 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -5.584 -9.813 -12.073 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -4.117 -12.132 -9.854 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -5.320 -11.888 -11.125 1.00 3.24 H new ATOM 739 N ALA A 95 -5.449 -6.072 -5.784 1.00 0.28 N ATOM 740 CA ALA A 95 -6.328 -5.926 -4.642 1.00 0.25 C ATOM 741 C ALA A 95 -7.767 -5.712 -5.107 1.00 0.26 C ATOM 742 O ALA A 95 -8.011 -5.322 -6.250 1.00 0.36 O ATOM 743 CB ALA A 95 -5.845 -4.765 -3.788 1.00 0.25 C ATOM 0 H ALA A 95 -4.890 -5.243 -5.985 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.308 -6.835 -4.041 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.502 -4.649 -2.926 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.829 -4.963 -3.446 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.857 -3.849 -4.379 1.00 0.25 H new ATOM 749 N HIS A 96 -8.713 -5.968 -4.220 1.00 0.29 N ATOM 750 CA HIS A 96 -10.126 -5.909 -4.575 1.00 0.29 C ATOM 751 C HIS A 96 -10.655 -4.490 -4.431 1.00 0.27 C ATOM 752 O HIS A 96 -10.510 -3.865 -3.378 1.00 0.29 O ATOM 753 CB HIS A 96 -10.944 -6.856 -3.700 1.00 0.33 C ATOM 754 CG HIS A 96 -12.289 -7.173 -4.267 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.383 -6.387 -4.010 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.654 -8.193 -5.076 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.388 -6.943 -4.666 1.00 0.46 C ATOM 758 NE2 HIS A 96 -13.994 -8.040 -5.326 1.00 0.50 N ATOM 0 H HIS A 96 -8.531 -6.219 -3.248 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.224 -6.220 -5.615 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.388 -7.783 -3.562 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.070 -6.410 -2.713 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.014 -8.977 -5.453 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.398 -6.561 -4.669 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.578 -8.645 -5.903 1.00 0.50 H new ATOM 766 N SER A 97 -11.303 -4.019 -5.489 1.00 0.32 N ATOM 767 CA SER A 97 -11.738 -2.630 -5.614 1.00 0.37 C ATOM 768 C SER A 97 -12.630 -2.164 -4.457 1.00 0.33 C ATOM 769 O SER A 97 -12.696 -0.969 -4.181 1.00 0.39 O ATOM 770 CB SER A 97 -12.485 -2.452 -6.937 1.00 0.48 C ATOM 771 OG SER A 97 -11.750 -3.006 -8.017 1.00 1.46 O ATOM 0 H SER A 97 -11.545 -4.596 -6.295 1.00 0.32 H new ATOM 0 HA SER A 97 -10.840 -2.013 -5.585 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.462 -2.931 -6.874 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.661 -1.392 -7.119 1.00 0.48 H new ATOM 0 HG SER A 97 -12.249 -2.881 -8.851 1.00 1.46 H new ATOM 777 N LEU A 98 -13.301 -3.088 -3.776 1.00 0.29 N ATOM 778 CA LEU A 98 -14.236 -2.718 -2.725 1.00 0.32 C ATOM 779 C LEU A 98 -13.512 -2.171 -1.503 1.00 0.35 C ATOM 780 O LEU A 98 -13.834 -1.089 -1.015 1.00 0.43 O ATOM 781 CB LEU A 98 -15.108 -3.908 -2.343 1.00 0.35 C ATOM 782 CG LEU A 98 -16.175 -4.279 -3.372 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.054 -5.399 -2.842 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.015 -3.062 -3.731 1.00 0.67 C ATOM 0 H LEU A 98 -13.214 -4.092 -3.934 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.876 -1.926 -3.113 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.466 -4.773 -2.179 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.599 -3.691 -1.394 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.678 -4.630 -4.276 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.809 -5.652 -3.586 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.441 -6.276 -2.635 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.544 -5.074 -1.924 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.770 -3.345 -4.465 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.505 -2.681 -2.835 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.373 -2.288 -4.151 1.00 0.67 H new ATOM 796 N PHE A 99 -12.531 -2.917 -1.018 1.00 0.32 N ATOM 797 CA PHE A 99 -11.726 -2.466 0.110 1.00 0.34 C ATOM 798 C PHE A 99 -10.943 -1.216 -0.267 1.00 0.34 C ATOM 799 O PHE A 99 -10.800 -0.292 0.532 1.00 0.39 O ATOM 800 CB PHE A 99 -10.771 -3.573 0.566 1.00 0.36 C ATOM 801 CG PHE A 99 -9.711 -3.104 1.531 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.057 -2.620 2.784 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.370 -3.132 1.173 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.087 -2.179 3.664 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.397 -2.691 2.051 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.756 -2.213 3.295 1.00 0.58 C ATOM 0 H PHE A 99 -12.273 -3.833 -1.385 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.394 -2.225 0.936 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.350 -4.369 1.035 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.286 -4.005 -0.309 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.096 -2.587 3.075 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.084 -3.502 0.199 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.369 -1.808 4.638 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.356 -2.721 1.763 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.997 -1.866 3.980 1.00 0.58 H new ATOM 816 N LEU A 100 -10.454 -1.188 -1.494 1.00 0.31 N ATOM 817 CA LEU A 100 -9.702 -0.048 -1.995 1.00 0.36 C ATOM 818 C LEU A 100 -10.594 1.180 -2.125 1.00 0.45 C ATOM 819 O LEU A 100 -10.112 2.298 -2.254 1.00 0.79 O ATOM 820 CB LEU A 100 -9.092 -0.397 -3.340 1.00 0.37 C ATOM 821 CG LEU A 100 -8.411 -1.760 -3.374 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.982 -2.099 -4.780 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.228 -1.802 -2.418 1.00 0.70 C ATOM 0 H LEU A 100 -10.565 -1.947 -2.167 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.909 0.187 -1.285 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.873 -0.373 -4.100 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.364 0.369 -3.607 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.130 -2.510 -3.045 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.497 -3.075 -4.787 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.856 -2.123 -5.431 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.282 -1.344 -5.139 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.760 -2.785 -2.462 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.502 -1.041 -2.704 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.574 -1.609 -1.402 1.00 0.70 H new ATOM 835 N ALA A 101 -11.898 0.959 -2.111 1.00 0.28 N ATOM 836 CA ALA A 101 -12.861 2.048 -2.153 1.00 0.33 C ATOM 837 C ALA A 101 -13.553 2.227 -0.800 1.00 0.36 C ATOM 838 O ALA A 101 -14.743 2.541 -0.745 1.00 0.57 O ATOM 839 CB ALA A 101 -13.893 1.799 -3.242 1.00 0.36 C ATOM 0 H ALA A 101 -12.316 0.030 -2.071 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.320 2.966 -2.380 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.607 2.622 -3.262 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.393 1.729 -4.208 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.420 0.867 -3.038 1.00 0.36 H new ATOM 845 N SER A 102 -12.813 2.030 0.288 1.00 0.34 N ATOM 846 CA SER A 102 -13.375 2.193 1.627 1.00 0.36 C ATOM 847 C SER A 102 -12.570 3.212 2.435 1.00 0.36 C ATOM 848 O SER A 102 -11.363 3.376 2.226 1.00 0.46 O ATOM 849 CB SER A 102 -13.402 0.851 2.367 1.00 0.40 C ATOM 850 OG SER A 102 -12.090 0.405 2.672 1.00 1.39 O ATOM 0 H SER A 102 -11.830 1.759 0.270 1.00 0.34 H new ATOM 0 HA SER A 102 -14.396 2.560 1.519 1.00 0.36 H new ATOM 0 HB2 SER A 102 -13.977 0.952 3.287 1.00 0.40 H new ATOM 0 HB3 SER A 102 -13.909 0.105 1.754 1.00 0.40 H new ATOM 0 HG SER A 102 -11.730 -0.097 1.911 1.00 1.39 H new ATOM 856 N ALA A 103 -13.259 3.919 3.336 1.00 0.35 N ATOM 857 CA ALA A 103 -12.614 4.829 4.268 1.00 0.36 C ATOM 858 C ALA A 103 -11.624 4.084 5.143 1.00 0.29 C ATOM 859 O ALA A 103 -10.673 4.665 5.659 1.00 0.30 O ATOM 860 CB ALA A 103 -13.646 5.505 5.140 1.00 0.44 C ATOM 0 H ALA A 103 -14.273 3.872 3.434 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.080 5.583 3.690 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.149 6.184 5.833 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.338 6.068 4.514 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.197 4.751 5.703 1.00 0.44 H new ATOM 866 N GLU A 104 -11.878 2.799 5.318 1.00 0.29 N ATOM 867 CA GLU A 104 -10.985 1.931 6.053 1.00 0.30 C ATOM 868 C GLU A 104 -9.586 2.017 5.457 1.00 0.26 C ATOM 869 O GLU A 104 -8.625 2.382 6.136 1.00 0.30 O ATOM 870 CB GLU A 104 -11.501 0.492 5.985 1.00 0.39 C ATOM 871 CG GLU A 104 -10.631 -0.519 6.715 1.00 0.49 C ATOM 872 CD GLU A 104 -10.573 -0.274 8.209 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.625 0.031 8.808 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.469 -0.363 8.789 1.00 1.81 O ATOM 0 H GLU A 104 -12.708 2.332 4.954 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.945 2.244 7.096 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.507 0.459 6.404 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.582 0.196 4.939 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -11.015 -1.522 6.531 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.621 -0.484 6.306 1.00 0.49 H new ATOM 881 N PHE A 105 -9.498 1.721 4.167 1.00 0.22 N ATOM 882 CA PHE A 105 -8.239 1.789 3.441 1.00 0.20 C ATOM 883 C PHE A 105 -7.742 3.231 3.374 1.00 0.19 C ATOM 884 O PHE A 105 -6.539 3.481 3.285 1.00 0.16 O ATOM 885 CB PHE A 105 -8.420 1.212 2.034 1.00 0.21 C ATOM 886 CG PHE A 105 -7.138 1.086 1.259 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.047 0.441 1.814 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.026 1.609 -0.019 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.866 0.322 1.114 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.846 1.492 -0.729 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.765 0.849 -0.159 1.00 0.16 C ATOM 0 H PHE A 105 -10.293 1.429 3.598 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.491 1.197 3.968 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.884 0.229 2.112 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.109 1.847 1.477 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.122 0.026 2.808 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.870 2.114 -0.465 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.021 -0.182 1.560 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.770 1.902 -1.725 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.840 0.758 -0.709 1.00 0.16 H new ATOM 901 N CYS A 106 -8.677 4.173 3.441 1.00 0.27 N ATOM 902 CA CYS A 106 -8.336 5.593 3.449 1.00 0.27 C ATOM 903 C CYS A 106 -7.502 5.925 4.686 1.00 0.27 C ATOM 904 O CYS A 106 -6.553 6.705 4.615 1.00 0.28 O ATOM 905 CB CYS A 106 -9.608 6.450 3.402 1.00 0.29 C ATOM 906 SG CYS A 106 -9.318 8.237 3.345 1.00 0.59 S ATOM 0 H CYS A 106 -9.677 3.980 3.491 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.743 5.818 2.562 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.191 6.163 2.527 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.215 6.222 4.278 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.245 8.805 2.632 1.00 0.59 H new ATOM 912 N ASN A 107 -7.851 5.310 5.815 1.00 0.28 N ATOM 913 CA ASN A 107 -7.064 5.443 7.042 1.00 0.30 C ATOM 914 C ASN A 107 -5.680 4.878 6.836 1.00 0.24 C ATOM 915 O ASN A 107 -4.686 5.524 7.134 1.00 0.23 O ATOM 916 CB ASN A 107 -7.711 4.699 8.204 1.00 0.37 C ATOM 917 CG ASN A 107 -8.896 5.437 8.795 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.745 6.256 9.700 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.088 5.149 8.301 1.00 0.64 N ATOM 0 H ASN A 107 -8.674 4.714 5.906 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.014 6.506 7.279 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.036 3.716 7.863 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.966 4.536 8.983 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.919 5.611 8.671 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.177 4.464 7.550 1.00 0.64 H new ATOM 926 N ILE A 108 -5.637 3.664 6.316 1.00 0.21 N ATOM 927 CA ILE A 108 -4.385 2.984 6.042 1.00 0.17 C ATOM 928 C ILE A 108 -3.460 3.876 5.223 1.00 0.12 C ATOM 929 O ILE A 108 -2.316 4.120 5.601 1.00 0.12 O ATOM 930 CB ILE A 108 -4.660 1.666 5.287 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.875 0.514 6.265 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.561 1.340 4.290 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.209 0.576 6.963 1.00 0.39 C ATOM 0 H ILE A 108 -6.467 3.124 6.073 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.894 2.758 6.989 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.578 1.805 4.716 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.796 -0.431 5.728 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.080 0.524 7.011 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.796 0.405 3.782 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.486 2.142 3.556 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.611 1.239 4.815 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.303 -0.269 7.645 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.282 1.506 7.526 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -7.009 0.536 6.224 1.00 0.39 H new ATOM 945 N LEU A 109 -3.986 4.380 4.124 1.00 0.12 N ATOM 946 CA LEU A 109 -3.233 5.237 3.228 1.00 0.12 C ATOM 947 C LEU A 109 -2.821 6.543 3.886 1.00 0.13 C ATOM 948 O LEU A 109 -1.641 6.893 3.885 1.00 0.13 O ATOM 949 CB LEU A 109 -4.061 5.514 1.993 1.00 0.15 C ATOM 950 CG LEU A 109 -3.942 4.446 0.929 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.036 4.596 -0.095 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.586 4.546 0.276 1.00 0.17 C ATOM 0 H LEU A 109 -4.946 4.208 3.827 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.315 4.715 2.958 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.107 5.611 2.282 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.757 6.471 1.570 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.048 3.464 1.390 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.934 3.819 -0.853 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -6.006 4.502 0.393 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.960 5.575 -0.567 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.495 3.778 -0.492 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.473 5.530 -0.179 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.809 4.402 1.027 1.00 0.17 H new ATOM 964 N SER A 110 -3.790 7.252 4.446 1.00 0.16 N ATOM 965 CA SER A 110 -3.528 8.535 5.088 1.00 0.20 C ATOM 966 C SER A 110 -2.466 8.387 6.170 1.00 0.19 C ATOM 967 O SER A 110 -1.645 9.278 6.380 1.00 0.22 O ATOM 968 CB SER A 110 -4.815 9.098 5.685 1.00 0.28 C ATOM 969 OG SER A 110 -5.387 8.201 6.618 1.00 1.18 O ATOM 0 H SER A 110 -4.767 6.961 4.470 1.00 0.16 H new ATOM 0 HA SER A 110 -3.156 9.229 4.334 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.605 10.049 6.174 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.530 9.300 4.887 1.00 0.28 H new ATOM 0 HG SER A 110 -4.961 7.323 6.531 1.00 1.18 H new ATOM 975 N ARG A 111 -2.495 7.250 6.846 1.00 0.18 N ATOM 976 CA ARG A 111 -1.535 6.956 7.890 1.00 0.19 C ATOM 977 C ARG A 111 -0.165 6.574 7.324 1.00 0.16 C ATOM 978 O ARG A 111 0.807 7.288 7.551 1.00 0.17 O ATOM 979 CB ARG A 111 -2.069 5.839 8.784 1.00 0.25 C ATOM 980 CG ARG A 111 -3.250 6.254 9.640 1.00 0.33 C ATOM 981 CD ARG A 111 -3.711 5.108 10.517 1.00 1.22 C ATOM 982 NE ARG A 111 -5.061 5.313 11.028 1.00 1.97 N ATOM 983 CZ ARG A 111 -5.837 4.328 11.476 1.00 2.79 C ATOM 984 NH1 ARG A 111 -5.368 3.085 11.527 1.00 3.10 N ATOM 985 NH2 ARG A 111 -7.070 4.590 11.886 1.00 3.73 N ATOM 0 H ARG A 111 -3.180 6.512 6.686 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.398 7.863 8.479 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.363 4.995 8.160 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.266 5.490 9.433 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.972 7.105 10.262 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.070 6.581 9.001 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -3.678 4.180 9.946 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.022 4.993 11.353 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.431 6.263 11.043 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.415 2.887 11.223 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -5.961 2.330 11.870 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.424 5.546 11.858 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -7.664 3.836 12.229 1.00 3.73 H new ATOM 999 N VAL A 112 -0.089 5.492 6.543 1.00 0.15 N ATOM 1000 CA VAL A 112 1.213 4.970 6.116 1.00 0.14 C ATOM 1001 C VAL A 112 1.935 5.934 5.185 1.00 0.14 C ATOM 1002 O VAL A 112 3.149 6.100 5.286 1.00 0.15 O ATOM 1003 CB VAL A 112 1.137 3.580 5.444 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.530 2.551 6.381 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.374 3.642 4.138 1.00 0.15 C ATOM 0 H VAL A 112 -0.895 4.970 6.199 1.00 0.15 H new ATOM 0 HA VAL A 112 1.780 4.860 7.041 1.00 0.14 H new ATOM 0 HB VAL A 112 2.156 3.267 5.218 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.489 1.583 5.881 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.143 2.470 7.279 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.478 2.860 6.656 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.338 2.649 3.690 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.641 3.992 4.326 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.875 4.330 3.456 1.00 0.15 H new ATOM 1015 N LEU A 113 1.195 6.575 4.286 1.00 0.15 N ATOM 1016 CA LEU A 113 1.783 7.528 3.379 1.00 0.16 C ATOM 1017 C LEU A 113 2.376 8.702 4.153 1.00 0.17 C ATOM 1018 O LEU A 113 3.503 9.116 3.899 1.00 0.20 O ATOM 1019 CB LEU A 113 0.723 7.987 2.373 1.00 0.16 C ATOM 1020 CG LEU A 113 0.710 9.468 2.057 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.889 9.821 1.169 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.604 9.856 1.403 1.00 0.27 C ATOM 0 H LEU A 113 0.190 6.445 4.174 1.00 0.15 H new ATOM 0 HA LEU A 113 2.599 7.060 2.828 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.870 7.438 1.443 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.259 7.708 2.756 1.00 0.16 H new ATOM 0 HG LEU A 113 0.802 10.031 2.986 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.871 10.888 0.947 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.818 9.573 1.682 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.826 9.256 0.239 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.599 10.923 1.182 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.730 9.294 0.478 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.428 9.630 2.080 1.00 0.27 H new ATOM 1034 N SER A 114 1.625 9.209 5.118 1.00 0.17 N ATOM 1035 CA SER A 114 2.078 10.325 5.932 1.00 0.21 C ATOM 1036 C SER A 114 3.240 9.895 6.828 1.00 0.18 C ATOM 1037 O SER A 114 4.178 10.659 7.044 1.00 0.20 O ATOM 1038 CB SER A 114 0.915 10.863 6.764 1.00 0.26 C ATOM 1039 OG SER A 114 1.299 11.991 7.532 1.00 1.06 O ATOM 0 H SER A 114 0.696 8.863 5.357 1.00 0.17 H new ATOM 0 HA SER A 114 2.436 11.122 5.280 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.091 11.135 6.105 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.548 10.079 7.427 1.00 0.26 H new ATOM 0 HG SER A 114 0.531 12.310 8.051 1.00 1.06 H new ATOM 1045 N ARG A 115 3.175 8.671 7.339 1.00 0.15 N ATOM 1046 CA ARG A 115 4.255 8.110 8.132 1.00 0.16 C ATOM 1047 C ARG A 115 5.545 8.025 7.327 1.00 0.15 C ATOM 1048 O ARG A 115 6.601 8.400 7.812 1.00 0.18 O ATOM 1049 CB ARG A 115 3.870 6.730 8.656 1.00 0.20 C ATOM 1050 CG ARG A 115 2.768 6.787 9.690 1.00 0.31 C ATOM 1051 CD ARG A 115 3.220 7.532 10.924 1.00 0.53 C ATOM 1052 NE ARG A 115 2.161 7.630 11.927 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.316 7.305 13.209 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.482 6.851 13.646 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.302 7.430 14.054 1.00 1.62 N ATOM 0 H ARG A 115 2.378 8.046 7.215 1.00 0.15 H new ATOM 0 HA ARG A 115 4.427 8.775 8.978 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.549 6.106 7.822 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.748 6.253 9.092 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.892 7.277 9.266 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.467 5.775 9.962 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.083 7.025 11.357 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.546 8.533 10.643 1.00 0.53 H new ATOM 0 HE ARG A 115 1.247 7.968 11.626 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.264 6.750 13.000 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.597 6.603 14.629 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.401 7.776 13.722 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.422 7.181 15.036 1.00 1.62 H new ATOM 1069 N ALA A 116 5.450 7.543 6.094 1.00 0.15 N ATOM 1070 CA ALA A 116 6.617 7.430 5.222 1.00 0.18 C ATOM 1071 C ALA A 116 7.074 8.801 4.731 1.00 0.21 C ATOM 1072 O ALA A 116 8.234 8.997 4.369 1.00 0.25 O ATOM 1073 CB ALA A 116 6.304 6.524 4.051 1.00 0.20 C ATOM 0 H ALA A 116 4.577 7.223 5.673 1.00 0.15 H new ATOM 0 HA ALA A 116 7.433 6.994 5.798 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.180 6.446 3.407 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.035 5.534 4.419 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.471 6.939 3.483 1.00 0.20 H new ATOM 1079 N ARG A 117 6.141 9.737 4.714 1.00 0.23 N ATOM 1080 CA ARG A 117 6.408 11.111 4.378 1.00 0.28 C ATOM 1081 C ARG A 117 7.113 11.807 5.546 1.00 0.29 C ATOM 1082 O ARG A 117 7.804 12.812 5.372 1.00 0.39 O ATOM 1083 CB ARG A 117 5.063 11.770 4.063 1.00 0.38 C ATOM 1084 CG ARG A 117 5.112 13.267 3.983 1.00 1.06 C ATOM 1085 CD ARG A 117 5.922 13.731 2.787 1.00 1.15 C ATOM 1086 NE ARG A 117 5.902 15.183 2.634 1.00 1.75 N ATOM 1087 CZ ARG A 117 5.613 15.808 1.496 1.00 2.25 C ATOM 1088 NH1 ARG A 117 5.242 15.115 0.423 1.00 2.33 N ATOM 1089 NH2 ARG A 117 5.669 17.132 1.444 1.00 2.99 N ATOM 0 H ARG A 117 5.163 9.553 4.938 1.00 0.23 H new ATOM 0 HA ARG A 117 7.068 11.187 3.514 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.694 11.379 3.115 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.343 11.482 4.829 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.099 13.663 3.914 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.549 13.668 4.898 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.953 13.394 2.896 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.529 13.267 1.882 1.00 1.15 H new ATOM 0 HE ARG A 117 6.123 15.753 3.450 1.00 1.75 H new ATOM 0 HH11 ARG A 117 5.178 14.098 0.470 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.022 15.600 -0.447 1.00 2.33 H new ATOM 0 HH21 ARG A 117 5.932 17.664 2.273 1.00 2.99 H new ATOM 0 HH22 ARG A 117 5.449 17.618 0.575 1.00 2.99 H new ATOM 1103 N SER A 118 6.940 11.240 6.731 1.00 0.28 N ATOM 1104 CA SER A 118 7.500 11.798 7.950 1.00 0.33 C ATOM 1105 C SER A 118 8.792 11.084 8.319 1.00 0.32 C ATOM 1106 O SER A 118 9.776 11.702 8.723 1.00 0.41 O ATOM 1107 CB SER A 118 6.484 11.647 9.076 1.00 0.38 C ATOM 1108 OG SER A 118 6.730 12.571 10.126 1.00 0.62 O ATOM 0 H SER A 118 6.408 10.381 6.873 1.00 0.28 H new ATOM 0 HA SER A 118 7.725 12.853 7.792 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.479 11.800 8.683 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.522 10.631 9.468 1.00 0.38 H new ATOM 0 HG SER A 118 6.061 12.450 10.832 1.00 0.62 H new ATOM 1114 N ARG A 119 8.754 9.776 8.183 1.00 0.26 N ATOM 1115 CA ARG A 119 9.888 8.908 8.468 1.00 0.28 C ATOM 1116 C ARG A 119 10.305 8.158 7.205 1.00 0.26 C ATOM 1117 O ARG A 119 10.015 6.970 7.051 1.00 0.25 O ATOM 1118 CB ARG A 119 9.520 7.901 9.562 1.00 0.33 C ATOM 1119 CG ARG A 119 9.054 8.546 10.854 1.00 0.47 C ATOM 1120 CD ARG A 119 10.141 9.398 11.486 1.00 1.28 C ATOM 1121 NE ARG A 119 9.614 10.234 12.564 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.369 10.901 13.435 1.00 2.39 C ATOM 1123 NH1 ARG A 119 11.691 10.800 13.401 1.00 3.26 N ATOM 1124 NH2 ARG A 119 9.799 11.675 14.348 1.00 2.60 N ATOM 0 H ARG A 119 7.925 9.273 7.867 1.00 0.26 H new ATOM 0 HA ARG A 119 10.719 9.524 8.812 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.733 7.245 9.190 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.386 7.273 9.772 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.178 9.164 10.656 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.746 7.771 11.556 1.00 0.47 H new ATOM 0 HD2 ARG A 119 10.928 8.753 11.877 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.597 10.031 10.724 1.00 1.28 H new ATOM 0 HE ARG A 119 8.601 10.311 12.655 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.139 10.207 12.703 1.00 3.26 H new ATOM 0 HH12 ARG A 119 12.259 11.315 14.073 1.00 3.26 H new ATOM 0 HH21 ARG A 119 8.783 11.759 14.383 1.00 2.60 H new ATOM 0 HH22 ARG A 119 10.376 12.186 15.016 1.00 2.60 H new ATOM 1138 N PRO A 120 10.994 8.849 6.287 1.00 0.29 N ATOM 1139 CA PRO A 120 11.454 8.282 5.012 1.00 0.30 C ATOM 1140 C PRO A 120 12.316 7.038 5.200 1.00 0.27 C ATOM 1141 O PRO A 120 12.341 6.143 4.354 1.00 0.28 O ATOM 1142 CB PRO A 120 12.301 9.410 4.408 1.00 0.37 C ATOM 1143 CG PRO A 120 12.600 10.315 5.546 1.00 0.38 C ATOM 1144 CD PRO A 120 11.393 10.250 6.418 1.00 0.35 C ATOM 0 HA PRO A 120 10.617 7.964 4.390 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.216 9.021 3.962 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.759 9.932 3.620 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.492 9.993 6.083 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.785 11.333 5.203 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.622 10.514 7.451 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.610 10.930 6.081 1.00 0.35 H new ATOM 1152 N ALA A 121 13.026 6.994 6.315 1.00 0.25 N ATOM 1153 CA ALA A 121 13.920 5.888 6.614 1.00 0.28 C ATOM 1154 C ALA A 121 13.173 4.562 6.758 1.00 0.27 C ATOM 1155 O ALA A 121 13.738 3.498 6.513 1.00 0.35 O ATOM 1156 CB ALA A 121 14.709 6.193 7.867 1.00 0.33 C ATOM 0 H ALA A 121 13.000 7.718 7.033 1.00 0.25 H new ATOM 0 HA ALA A 121 14.603 5.776 5.772 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.378 5.361 8.087 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.295 7.100 7.716 1.00 0.33 H new ATOM 0 HB3 ALA A 121 14.024 6.339 8.702 1.00 0.33 H new ATOM 1162 N LYS A 122 11.914 4.612 7.174 1.00 0.22 N ATOM 1163 CA LYS A 122 11.109 3.410 7.265 1.00 0.27 C ATOM 1164 C LYS A 122 9.974 3.422 6.252 1.00 0.19 C ATOM 1165 O LYS A 122 8.969 2.738 6.436 1.00 0.18 O ATOM 1166 CB LYS A 122 10.575 3.244 8.679 1.00 0.39 C ATOM 1167 CG LYS A 122 11.648 2.791 9.651 1.00 0.49 C ATOM 1168 CD LYS A 122 11.872 1.290 9.574 1.00 0.66 C ATOM 1169 CE LYS A 122 12.947 0.817 10.542 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.468 0.779 11.949 1.00 1.79 N ATOM 0 H LYS A 122 11.434 5.468 7.451 1.00 0.22 H new ATOM 0 HA LYS A 122 11.744 2.556 7.029 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.156 4.191 9.020 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.762 2.518 8.675 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.581 3.311 9.433 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.360 3.065 10.666 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.937 0.774 9.792 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.157 1.019 8.557 1.00 0.66 H new ATOM 0 HE2 LYS A 122 13.283 -0.178 10.249 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.810 1.479 10.473 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 13.236 0.451 12.568 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.171 1.732 12.241 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.661 0.127 12.023 1.00 1.79 H new ATOM 1184 N LEU A 123 10.162 4.184 5.171 1.00 0.17 N ATOM 1185 CA LEU A 123 9.235 4.209 4.050 1.00 0.14 C ATOM 1186 C LEU A 123 8.833 2.796 3.642 1.00 0.12 C ATOM 1187 O LEU A 123 7.669 2.528 3.356 1.00 0.12 O ATOM 1188 CB LEU A 123 9.911 4.909 2.877 1.00 0.16 C ATOM 1189 CG LEU A 123 9.240 4.732 1.522 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.975 5.560 1.426 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.209 5.104 0.430 1.00 0.21 C ATOM 0 H LEU A 123 10.966 4.801 5.054 1.00 0.17 H new ATOM 0 HA LEU A 123 8.332 4.744 4.345 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.966 5.975 3.097 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.936 4.546 2.804 1.00 0.16 H new ATOM 0 HG LEU A 123 8.954 3.687 1.405 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.518 5.413 0.448 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.277 5.249 2.203 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.219 6.614 1.558 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.729 4.978 -0.541 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.513 6.144 0.552 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.087 4.460 0.488 1.00 0.21 H new ATOM 1203 N TYR A 124 9.804 1.889 3.657 1.00 0.13 N ATOM 1204 CA TYR A 124 9.582 0.526 3.214 1.00 0.13 C ATOM 1205 C TYR A 124 8.603 -0.187 4.106 1.00 0.13 C ATOM 1206 O TYR A 124 7.722 -0.847 3.613 1.00 0.14 O ATOM 1207 CB TYR A 124 10.890 -0.242 3.148 1.00 0.14 C ATOM 1208 CG TYR A 124 11.764 0.200 2.018 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.570 1.322 2.131 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.775 -0.504 0.829 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.366 1.728 1.082 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.559 -0.108 -0.216 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.359 1.007 -0.090 1.00 0.24 C ATOM 1214 OH TYR A 124 14.146 1.414 -1.138 1.00 0.31 O ATOM 0 H TYR A 124 10.755 2.079 3.973 1.00 0.13 H new ATOM 0 HA TYR A 124 9.156 0.573 2.212 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.428 -0.117 4.088 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.677 -1.306 3.042 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.574 1.885 3.053 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.154 -1.381 0.725 1.00 0.14 H new ATOM 0 HE1 TYR A 124 13.990 2.604 1.179 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.552 -0.667 -1.140 1.00 0.19 H new ATOM 0 HH TYR A 124 15.052 1.059 -1.024 1.00 0.31 H new ATOM 1224 N VAL A 125 8.745 -0.046 5.410 1.00 0.13 N ATOM 1225 CA VAL A 125 7.785 -0.644 6.335 1.00 0.14 C ATOM 1226 C VAL A 125 6.359 -0.252 5.962 1.00 0.12 C ATOM 1227 O VAL A 125 5.456 -1.082 5.972 1.00 0.14 O ATOM 1228 CB VAL A 125 8.071 -0.234 7.790 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.975 -0.734 8.727 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.435 -0.759 8.202 1.00 0.23 C ATOM 0 H VAL A 125 9.504 0.470 5.855 1.00 0.13 H new ATOM 0 HA VAL A 125 7.892 -1.726 6.256 1.00 0.14 H new ATOM 0 HB VAL A 125 8.078 0.854 7.860 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.203 -0.430 9.749 1.00 0.19 H new ATOM 0 HG12 VAL A 125 6.018 -0.308 8.427 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.921 -1.821 8.676 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.640 -0.470 9.233 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.446 -1.846 8.121 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.199 -0.339 7.548 1.00 0.23 H new ATOM 1240 N TYR A 126 6.181 1.003 5.594 1.00 0.11 N ATOM 1241 CA TYR A 126 4.876 1.509 5.204 1.00 0.11 C ATOM 1242 C TYR A 126 4.501 1.002 3.809 1.00 0.10 C ATOM 1243 O TYR A 126 3.335 0.721 3.537 1.00 0.11 O ATOM 1244 CB TYR A 126 4.885 3.033 5.296 1.00 0.12 C ATOM 1245 CG TYR A 126 5.405 3.499 6.640 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.864 2.991 7.811 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.455 4.407 6.743 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.341 3.374 9.046 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.944 4.795 7.979 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.382 4.272 9.127 1.00 0.20 C ATOM 1251 OH TYR A 126 6.858 4.652 10.363 1.00 0.25 O ATOM 0 H TYR A 126 6.929 1.696 5.557 1.00 0.11 H new ATOM 0 HA TYR A 126 4.108 1.138 5.883 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.507 3.444 4.501 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.876 3.415 5.142 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.052 2.281 7.754 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.895 4.815 5.845 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.900 2.972 9.946 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.759 5.501 8.045 1.00 0.20 H new ATOM 0 HH TYR A 126 7.594 5.289 10.248 1.00 0.25 H new ATOM 1261 N ILE A 127 5.504 0.880 2.939 1.00 0.11 N ATOM 1262 CA ILE A 127 5.355 0.181 1.659 1.00 0.11 C ATOM 1263 C ILE A 127 4.863 -1.243 1.904 1.00 0.11 C ATOM 1264 O ILE A 127 3.873 -1.694 1.328 1.00 0.11 O ATOM 1265 CB ILE A 127 6.711 0.122 0.907 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.110 1.515 0.425 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.645 -0.844 -0.262 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.591 1.673 0.162 1.00 0.11 C ATOM 0 H ILE A 127 6.437 1.260 3.098 1.00 0.11 H new ATOM 0 HA ILE A 127 4.633 0.727 1.052 1.00 0.11 H new ATOM 0 HB ILE A 127 7.469 -0.241 1.601 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.562 1.743 -0.490 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.803 2.248 1.171 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.609 -0.866 -0.771 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.406 -1.842 0.104 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.873 -0.519 -0.960 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.794 2.689 -0.177 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.146 1.479 1.080 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.902 0.965 -0.607 1.00 0.11 H new ATOM 1280 N ASN A 128 5.582 -1.923 2.784 1.00 0.12 N ATOM 1281 CA ASN A 128 5.294 -3.280 3.197 1.00 0.14 C ATOM 1282 C ASN A 128 3.876 -3.391 3.731 1.00 0.14 C ATOM 1283 O ASN A 128 3.100 -4.244 3.290 1.00 0.16 O ATOM 1284 CB ASN A 128 6.275 -3.683 4.300 1.00 0.20 C ATOM 1285 CG ASN A 128 7.703 -3.924 3.825 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.444 -4.679 4.436 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.108 -3.285 2.745 1.00 0.26 N ATOM 0 H ASN A 128 6.405 -1.531 3.241 1.00 0.12 H new ATOM 0 HA ASN A 128 5.396 -3.939 2.335 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.286 -2.902 5.060 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.908 -4.590 4.780 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.060 -3.416 2.402 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.470 -2.660 2.253 1.00 0.26 H new ATOM 1294 N GLU A 129 3.557 -2.528 4.695 1.00 0.13 N ATOM 1295 CA GLU A 129 2.229 -2.484 5.284 1.00 0.16 C ATOM 1296 C GLU A 129 1.180 -2.337 4.216 1.00 0.15 C ATOM 1297 O GLU A 129 0.371 -3.223 4.022 1.00 0.17 O ATOM 1298 CB GLU A 129 2.107 -1.312 6.253 1.00 0.23 C ATOM 1299 CG GLU A 129 2.845 -1.527 7.551 1.00 0.29 C ATOM 1300 CD GLU A 129 2.646 -0.399 8.543 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.484 -0.123 8.918 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.654 0.200 8.970 1.00 1.03 O ATOM 0 H GLU A 129 4.209 -1.847 5.084 1.00 0.13 H new ATOM 0 HA GLU A 129 2.076 -3.420 5.822 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.489 -0.411 5.772 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.053 -1.136 6.468 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.511 -2.462 8.001 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.909 -1.636 7.343 1.00 0.29 H new ATOM 1309 N LEU A 130 1.252 -1.231 3.501 1.00 0.14 N ATOM 1310 CA LEU A 130 0.290 -0.896 2.465 1.00 0.15 C ATOM 1311 C LEU A 130 0.088 -2.055 1.487 1.00 0.15 C ATOM 1312 O LEU A 130 -1.042 -2.388 1.136 1.00 0.18 O ATOM 1313 CB LEU A 130 0.789 0.349 1.741 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.209 1.041 0.827 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.528 1.268 1.549 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.382 2.360 0.364 1.00 0.12 C ATOM 0 H LEU A 130 1.985 -0.533 3.623 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.681 -0.702 2.920 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.125 1.068 2.488 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.662 0.074 1.149 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.409 0.409 -0.038 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.229 1.764 0.878 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.942 0.309 1.861 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.360 1.893 2.426 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.326 2.865 -0.293 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.588 2.990 1.229 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.309 2.173 -0.177 1.00 0.12 H new ATOM 1328 N CYS A 131 1.182 -2.684 1.078 1.00 0.14 N ATOM 1329 CA CYS A 131 1.125 -3.810 0.152 1.00 0.17 C ATOM 1330 C CYS A 131 0.410 -5.014 0.773 1.00 0.18 C ATOM 1331 O CYS A 131 -0.451 -5.634 0.140 1.00 0.21 O ATOM 1332 CB CYS A 131 2.542 -4.203 -0.272 1.00 0.20 C ATOM 1333 SG CYS A 131 2.616 -5.639 -1.363 1.00 0.53 S ATOM 0 H CYS A 131 2.125 -2.432 1.374 1.00 0.14 H new ATOM 0 HA CYS A 131 0.554 -3.499 -0.723 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.007 -3.355 -0.774 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.133 -4.408 0.621 1.00 0.20 H new ATOM 0 HG CYS A 131 3.726 -5.613 -2.040 1.00 0.53 H new ATOM 1339 N THR A 132 0.753 -5.339 2.011 1.00 0.19 N ATOM 1340 CA THR A 132 0.156 -6.482 2.686 1.00 0.23 C ATOM 1341 C THR A 132 -1.279 -6.151 3.081 1.00 0.21 C ATOM 1342 O THR A 132 -2.168 -7.000 3.035 1.00 0.22 O ATOM 1343 CB THR A 132 0.959 -6.878 3.935 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.357 -6.914 3.616 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.514 -8.240 4.446 1.00 0.36 C ATOM 0 H THR A 132 1.439 -4.829 2.567 1.00 0.19 H new ATOM 0 HA THR A 132 0.166 -7.326 1.997 1.00 0.23 H new ATOM 0 HB THR A 132 0.781 -6.138 4.715 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.694 -5.999 3.517 1.00 0.32 H new ATOM 0 HG21 THR A 132 1.094 -8.504 5.331 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.545 -8.204 4.703 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.674 -8.989 3.671 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.478 -4.890 3.438 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.781 -4.336 3.765 1.00 0.17 C ATOM 1355 C VAL A 133 -3.772 -4.613 2.646 1.00 0.18 C ATOM 1356 O VAL A 133 -4.923 -4.989 2.891 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.650 -2.808 3.993 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.955 -2.083 3.725 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.156 -2.512 5.407 1.00 0.18 C ATOM 0 H VAL A 133 -0.721 -4.210 3.509 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.149 -4.808 4.676 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.914 -2.437 3.280 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.820 -1.015 3.896 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.258 -2.249 2.691 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.727 -2.463 4.395 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.071 -1.434 5.545 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.863 -2.916 6.131 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.180 -2.974 5.556 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.301 -4.444 1.420 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.118 -4.667 0.245 1.00 0.20 C ATOM 1371 C LEU A 134 -4.683 -6.083 0.231 1.00 0.23 C ATOM 1372 O LEU A 134 -5.888 -6.273 0.167 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.285 -4.419 -1.012 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.778 -2.987 -1.163 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.802 -2.863 -2.315 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.938 -2.044 -1.366 1.00 0.20 C ATOM 0 H LEU A 134 -2.346 -4.150 1.216 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.957 -3.971 0.268 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.430 -5.095 -1.005 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.885 -4.673 -1.886 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.252 -2.721 -0.246 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.461 -1.831 -2.394 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.947 -3.515 -2.139 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.295 -3.154 -3.243 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.565 -1.026 -1.472 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.483 -2.327 -2.266 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.605 -2.098 -0.506 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.818 -7.073 0.356 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.249 -8.459 0.242 1.00 0.29 C ATOM 1390 C LYS A 135 -4.897 -8.963 1.521 1.00 0.30 C ATOM 1391 O LYS A 135 -5.719 -9.874 1.492 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.092 -9.355 -0.166 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.031 -9.588 -1.663 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.283 -10.303 -2.156 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.191 -10.622 -3.641 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.158 -11.675 -4.052 1.00 1.59 N ATOM 0 H LYS A 135 -2.822 -6.948 0.535 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.007 -8.496 -0.540 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.156 -8.906 0.166 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.184 -10.314 0.343 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.926 -8.634 -2.179 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.149 -10.181 -1.907 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.423 -11.225 -1.592 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.157 -9.679 -1.970 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.377 -9.716 -4.217 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.179 -10.949 -3.878 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.059 -11.859 -5.071 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -4.966 -12.549 -3.522 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -6.127 -11.354 -3.851 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.502 -8.389 2.641 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.075 -8.763 3.926 1.00 0.30 C ATOM 1412 C ALA A 136 -6.568 -8.454 3.978 1.00 0.31 C ATOM 1413 O ALA A 136 -7.339 -9.198 4.584 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.359 -8.048 5.063 1.00 0.33 C ATOM 0 H ALA A 136 -3.788 -7.663 2.691 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.942 -9.838 4.044 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.803 -8.342 6.014 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.303 -8.319 5.056 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.457 -6.970 4.934 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.981 -7.356 3.355 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.354 -6.912 3.481 1.00 0.35 C ATOM 1422 C HIS A 137 -9.111 -6.913 2.157 1.00 0.35 C ATOM 1423 O HIS A 137 -10.325 -6.719 2.133 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.386 -5.532 4.116 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.602 -5.461 5.390 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.012 -6.052 6.562 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.394 -4.917 5.648 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.087 -5.877 7.484 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.092 -5.191 6.958 1.00 0.49 N ATOM 0 H HIS A 137 -6.391 -6.768 2.767 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.867 -7.629 4.122 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.989 -4.803 3.410 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.421 -5.253 4.315 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.778 -4.367 4.951 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.136 -6.236 8.501 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.240 -4.911 7.444 1.00 0.49 H new ATOM 1438 N SER A 138 -8.412 -7.130 1.062 1.00 0.31 N ATOM 1439 CA SER A 138 -9.066 -7.240 -0.226 1.00 0.33 C ATOM 1440 C SER A 138 -8.485 -8.399 -1.020 1.00 0.55 C ATOM 1441 O SER A 138 -7.371 -8.853 -0.763 1.00 1.05 O ATOM 1442 CB SER A 138 -8.941 -5.938 -1.026 1.00 0.38 C ATOM 1443 OG SER A 138 -7.654 -5.785 -1.573 1.00 1.00 O ATOM 0 H SER A 138 -7.398 -7.233 1.037 1.00 0.31 H new ATOM 0 HA SER A 138 -10.125 -7.428 -0.047 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.680 -5.931 -1.827 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.164 -5.090 -0.378 1.00 0.38 H new ATOM 0 HG SER A 138 -7.014 -5.595 -0.856 1.00 1.00 H new ATOM 1624 N SER B 27 4.461 -11.255 2.703 1.00 0.55 N ATOM 1625 CA SER B 27 4.025 -10.080 3.415 1.00 0.54 C ATOM 1626 C SER B 27 5.031 -8.956 3.186 1.00 0.44 C ATOM 1627 O SER B 27 5.593 -8.830 2.098 1.00 0.53 O ATOM 1628 CB SER B 27 3.907 -10.443 4.903 1.00 0.75 C ATOM 1629 OG SER B 27 3.376 -9.386 5.691 1.00 1.37 O ATOM 0 HA SER B 27 3.054 -9.735 3.059 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.271 -11.322 5.008 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.891 -10.714 5.285 1.00 0.75 H new ATOM 0 HG SER B 27 3.322 -9.671 6.627 1.00 1.37 H new ATOM 1635 N ASP B 28 5.246 -8.152 4.215 1.00 0.43 N ATOM 1636 CA ASP B 28 6.281 -7.123 4.226 1.00 0.37 C ATOM 1637 C ASP B 28 7.611 -7.655 3.693 1.00 0.33 C ATOM 1638 O ASP B 28 8.336 -6.960 2.982 1.00 0.31 O ATOM 1639 CB ASP B 28 6.457 -6.588 5.658 1.00 0.44 C ATOM 1640 CG ASP B 28 6.454 -7.687 6.699 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.367 -8.109 7.135 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.555 -8.136 7.093 1.00 1.83 O ATOM 0 H ASP B 28 4.702 -8.194 5.077 1.00 0.43 H new ATOM 0 HA ASP B 28 5.965 -6.314 3.567 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.395 -6.036 5.722 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.656 -5.883 5.879 1.00 0.44 H new ATOM 1647 N SER B 29 7.898 -8.908 3.992 1.00 0.36 N ATOM 1648 CA SER B 29 9.160 -9.519 3.620 1.00 0.34 C ATOM 1649 C SER B 29 9.342 -9.624 2.108 1.00 0.33 C ATOM 1650 O SER B 29 10.467 -9.755 1.625 1.00 0.34 O ATOM 1651 CB SER B 29 9.260 -10.892 4.262 1.00 0.39 C ATOM 1652 OG SER B 29 8.054 -11.623 4.091 1.00 1.07 O ATOM 0 H SER B 29 7.266 -9.529 4.497 1.00 0.36 H new ATOM 0 HA SER B 29 9.960 -8.875 3.984 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.090 -11.444 3.821 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.477 -10.785 5.325 1.00 0.39 H new ATOM 0 HG SER B 29 8.143 -12.504 4.511 1.00 1.07 H new ATOM 1658 N GLU B 30 8.248 -9.540 1.364 1.00 0.35 N ATOM 1659 CA GLU B 30 8.305 -9.650 -0.087 1.00 0.37 C ATOM 1660 C GLU B 30 9.081 -8.482 -0.677 1.00 0.34 C ATOM 1661 O GLU B 30 9.717 -8.593 -1.723 1.00 0.39 O ATOM 1662 CB GLU B 30 6.909 -9.685 -0.684 1.00 0.45 C ATOM 1663 CG GLU B 30 6.934 -9.932 -2.172 1.00 0.68 C ATOM 1664 CD GLU B 30 5.590 -10.308 -2.758 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.877 -11.115 -2.132 1.00 1.57 O ATOM 1666 OE2 GLU B 30 5.228 -9.784 -3.832 1.00 2.33 O ATOM 0 H GLU B 30 7.311 -9.396 1.741 1.00 0.35 H new ATOM 0 HA GLU B 30 8.814 -10.582 -0.332 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.326 -10.467 -0.197 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.405 -8.740 -0.482 1.00 0.45 H new ATOM 0 HG2 GLU B 30 7.299 -9.035 -2.672 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.647 -10.728 -2.386 1.00 0.68 H new ATOM 1673 N LEU B 31 9.019 -7.364 0.011 1.00 0.28 N ATOM 1674 CA LEU B 31 9.756 -6.180 -0.371 1.00 0.24 C ATOM 1675 C LEU B 31 11.221 -6.395 -0.084 1.00 0.25 C ATOM 1676 O LEU B 31 12.093 -6.190 -0.925 1.00 0.26 O ATOM 1677 CB LEU B 31 9.295 -4.998 0.447 1.00 0.20 C ATOM 1678 CG LEU B 31 7.889 -4.459 0.183 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.777 -3.856 -1.199 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.845 -5.530 0.396 1.00 0.24 C ATOM 0 H LEU B 31 8.455 -7.250 0.853 1.00 0.28 H new ATOM 0 HA LEU B 31 9.590 -5.990 -1.431 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.357 -5.274 1.500 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.002 -4.184 0.289 1.00 0.20 H new ATOM 0 HG LEU B 31 7.703 -3.663 0.904 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.764 -3.483 -1.352 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.485 -3.033 -1.295 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.001 -4.617 -1.947 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.855 -5.117 0.201 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.032 -6.361 -0.284 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.893 -5.886 1.425 1.00 0.24 H new ATOM 1692 N GLU B 32 11.449 -6.827 1.141 1.00 0.26 N ATOM 1693 CA GLU B 32 12.784 -7.051 1.686 1.00 0.29 C ATOM 1694 C GLU B 32 13.619 -7.966 0.803 1.00 0.33 C ATOM 1695 O GLU B 32 14.850 -7.938 0.857 1.00 0.38 O ATOM 1696 CB GLU B 32 12.693 -7.670 3.072 1.00 0.29 C ATOM 1697 CG GLU B 32 11.668 -7.032 3.994 1.00 0.26 C ATOM 1698 CD GLU B 32 11.809 -7.552 5.409 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.238 -8.618 5.715 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.530 -6.923 6.209 1.00 0.47 O ATOM 0 H GLU B 32 10.701 -7.038 1.802 1.00 0.26 H new ATOM 0 HA GLU B 32 13.269 -6.076 1.734 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.455 -8.728 2.966 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.673 -7.610 3.546 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.792 -5.949 3.987 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.664 -7.240 3.625 1.00 0.26 H new ATOM 1707 N GLN B 33 12.935 -8.776 0.013 1.00 0.35 N ATOM 1708 CA GLN B 33 13.577 -9.727 -0.893 1.00 0.40 C ATOM 1709 C GLN B 33 14.642 -9.046 -1.737 1.00 0.39 C ATOM 1710 O GLN B 33 15.742 -9.567 -1.918 1.00 0.48 O ATOM 1711 CB GLN B 33 12.544 -10.352 -1.822 1.00 0.43 C ATOM 1712 CG GLN B 33 11.389 -11.004 -1.108 1.00 0.47 C ATOM 1713 CD GLN B 33 11.794 -12.207 -0.289 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.835 -13.328 -0.794 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.066 -11.988 0.982 1.00 0.57 N ATOM 0 H GLN B 33 11.916 -8.797 -0.022 1.00 0.35 H new ATOM 0 HA GLN B 33 14.044 -10.499 -0.281 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.157 -9.581 -2.488 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.037 -11.096 -2.448 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.915 -10.272 -0.455 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.642 -11.308 -1.842 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.019 -11.041 1.358 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.323 -12.766 1.590 1.00 0.57 H new ATOM 1724 N TYR B 34 14.311 -7.871 -2.241 1.00 0.32 N ATOM 1725 CA TYR B 34 15.199 -7.164 -3.146 1.00 0.32 C ATOM 1726 C TYR B 34 15.551 -5.756 -2.665 1.00 0.30 C ATOM 1727 O TYR B 34 16.589 -5.215 -3.056 1.00 0.37 O ATOM 1728 CB TYR B 34 14.577 -7.101 -4.540 1.00 0.32 C ATOM 1729 CG TYR B 34 13.068 -7.168 -4.540 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.314 -6.244 -3.838 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.398 -8.159 -5.242 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.950 -6.296 -3.829 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.017 -8.220 -5.241 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.296 -7.286 -4.530 1.00 0.34 C ATOM 1735 OH TYR B 34 8.925 -7.344 -4.519 1.00 0.40 O ATOM 0 H TYR B 34 13.436 -7.387 -2.040 1.00 0.32 H new ATOM 0 HA TYR B 34 16.132 -7.726 -3.176 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.890 -6.177 -5.025 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.968 -7.924 -5.139 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.816 -5.464 -3.285 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.963 -8.893 -5.797 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.384 -5.563 -3.274 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.507 -8.995 -5.794 1.00 0.42 H new ATOM 0 HH TYR B 34 8.563 -6.472 -4.256 1.00 0.40 H new ATOM 1745 N PHE B 35 14.711 -5.152 -1.831 1.00 0.27 N ATOM 1746 CA PHE B 35 14.965 -3.786 -1.397 1.00 0.26 C ATOM 1747 C PHE B 35 14.419 -3.506 0.000 1.00 0.25 C ATOM 1748 O PHE B 35 13.426 -4.090 0.415 1.00 0.25 O ATOM 1749 CB PHE B 35 14.402 -2.774 -2.414 1.00 0.25 C ATOM 1750 CG PHE B 35 12.938 -2.902 -2.738 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.970 -2.842 -1.752 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.534 -3.065 -4.052 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.637 -2.942 -2.065 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.196 -3.168 -4.373 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.246 -3.108 -3.377 1.00 0.18 C ATOM 0 H PHE B 35 13.866 -5.577 -1.449 1.00 0.27 H new ATOM 0 HA PHE B 35 16.047 -3.667 -1.346 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.582 -1.769 -2.033 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.968 -2.869 -3.341 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.267 -2.715 -0.721 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.275 -3.112 -4.836 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.894 -2.891 -1.283 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.894 -3.295 -5.402 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.198 -3.191 -3.623 1.00 0.18 H new ATOM 1765 N THR B 36 15.108 -2.619 0.712 1.00 0.27 N ATOM 1766 CA THR B 36 14.687 -2.127 2.025 1.00 0.27 C ATOM 1767 C THR B 36 15.541 -0.924 2.426 1.00 0.32 C ATOM 1768 O THR B 36 16.260 -0.371 1.598 1.00 0.45 O ATOM 1769 CB THR B 36 14.759 -3.209 3.128 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.799 -4.149 2.838 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.427 -3.919 3.267 1.00 0.27 C ATOM 0 H THR B 36 15.987 -2.214 0.391 1.00 0.27 H new ATOM 0 HA THR B 36 13.641 -1.836 1.933 1.00 0.27 H new ATOM 0 HB THR B 36 14.987 -2.720 4.075 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.834 -4.827 3.545 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.498 -4.676 4.048 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.655 -3.196 3.532 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.168 -4.396 2.322 1.00 0.27 H new ATOM 1779 N ALA B 37 15.458 -0.519 3.688 1.00 0.32 N ATOM 1780 CA ALA B 37 16.191 0.647 4.172 1.00 0.35 C ATOM 1781 C ALA B 37 17.095 0.280 5.341 1.00 0.43 C ATOM 1782 O ALA B 37 17.542 -0.864 5.451 1.00 0.53 O ATOM 1783 CB ALA B 37 15.222 1.737 4.598 1.00 0.29 C ATOM 0 H ALA B 37 14.889 -0.982 4.397 1.00 0.32 H new ATOM 0 HA ALA B 37 16.813 1.014 3.356 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.781 2.601 4.957 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.607 2.030 3.747 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.581 1.362 5.396 1.00 0.29 H new ATOM 1789 N ARG B 38 17.344 1.261 6.212 1.00 0.44 N ATOM 1790 CA ARG B 38 18.166 1.067 7.402 1.00 0.52 C ATOM 1791 C ARG B 38 17.617 -0.081 8.256 1.00 0.56 C ATOM 1792 O ARG B 38 18.370 -0.945 8.703 1.00 0.67 O ATOM 1793 CB ARG B 38 18.212 2.379 8.217 1.00 0.57 C ATOM 1794 CG ARG B 38 17.256 2.404 9.403 1.00 0.67 C ATOM 1795 CD ARG B 38 16.589 3.747 9.597 1.00 0.93 C ATOM 1796 NE ARG B 38 15.756 3.756 10.803 1.00 1.60 N ATOM 1797 CZ ARG B 38 15.207 4.846 11.342 1.00 2.28 C ATOM 1798 NH1 ARG B 38 15.534 6.054 10.905 1.00 2.75 N ATOM 1799 NH2 ARG B 38 14.369 4.724 12.364 1.00 2.94 N ATOM 0 H ARG B 38 16.981 2.209 6.110 1.00 0.44 H new ATOM 0 HA ARG B 38 19.178 0.803 7.096 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.228 2.535 8.579 1.00 0.57 H new ATOM 0 HB3 ARG B 38 17.978 3.214 7.556 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.490 1.641 9.261 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.803 2.142 10.309 1.00 0.67 H new ATOM 0 HD2 ARG B 38 17.348 4.526 9.670 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.976 3.981 8.727 1.00 0.93 H new ATOM 0 HE ARG B 38 15.583 2.863 11.264 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.211 6.157 10.149 1.00 2.75 H new ATOM 0 HH12 ARG B 38 15.108 6.881 11.324 1.00 2.75 H new ATOM 0 HH21 ARG B 38 14.147 3.800 12.734 1.00 2.94 H new ATOM 0 HH22 ARG B 38 13.947 5.554 12.779 1.00 2.94 H new ATOM 1813 N TRP B 39 16.293 -0.066 8.437 1.00 0.54 N ATOM 1814 CA TRP B 39 15.556 -1.036 9.247 1.00 0.64 C ATOM 1815 C TRP B 39 16.310 -1.467 10.503 1.00 0.85 C ATOM 1816 O TRP B 39 16.270 -0.712 11.495 1.00 1.41 O ATOM 1817 CB TRP B 39 15.163 -2.233 8.395 1.00 0.60 C ATOM 1818 CG TRP B 39 14.137 -1.870 7.388 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.147 -0.781 6.586 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.942 -2.580 7.096 1.00 0.35 C ATOM 1821 NE1 TRP B 39 13.031 -0.772 5.785 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.276 -1.877 6.083 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.378 -3.749 7.587 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.068 -2.312 5.556 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.179 -4.168 7.065 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.539 -3.457 6.058 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.930 -2.551 10.498 1.00 1.45 O ATOM 0 H TRP B 39 15.691 0.639 8.013 1.00 0.54 H new ATOM 0 HA TRP B 39 14.653 -0.540 9.603 1.00 0.64 H new ATOM 0 HB2 TRP B 39 16.045 -2.628 7.891 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.780 -3.027 9.036 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.921 -0.027 6.577 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.803 -0.064 5.087 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.871 -4.317 8.362 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.567 -1.760 4.775 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.724 -5.070 7.446 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.601 -3.823 5.666 1.00 0.25 H new