USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 94 ASN : amide:sc= -0.168 X(o=0.83,f=0.83) USER MOD Set 1.2: A 132 TYR OH : rot 80:sc= 0.994 USER MOD Set 2.1: A 88 THR OG1 : rot 67:sc= 1.2 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 1.03 K(o=2.2,f=-4.9!) USER MOD Set 3.1: A 79 HIS : no HE2:sc= -1.76! C(o=-0.71!,f=-9.3!) USER MOD Set 3.2: A 87 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 47 THR OG1 : rot -31:sc= 0.307 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 71:sc= -0.109 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 155:sc= -2.28 (180deg=-2.42!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-3.8!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 66:sc= 0.0249 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -139:sc= -2.23! USER MOD Single : A 97 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 100:sc= 1.28 USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0118) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.820 13.151 -1.640 1.00 0.00 N ATOM 103 CA THR A 47 4.786 12.276 -2.805 1.00 0.00 C ATOM 104 C THR A 47 5.652 11.040 -2.589 1.00 0.00 C ATOM 105 O THR A 47 6.472 10.690 -3.437 1.00 0.00 O ATOM 106 CB THR A 47 5.265 13.009 -4.072 1.00 0.00 C ATOM 107 OG1 THR A 47 6.423 13.797 -3.775 1.00 0.00 O ATOM 108 CG2 THR A 47 4.166 13.902 -4.628 1.00 0.00 C ATOM 0 HA THR A 47 3.749 11.971 -2.941 1.00 0.00 H new ATOM 0 HB THR A 47 5.519 12.261 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.379 14.106 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.527 14.409 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.297 13.295 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.885 14.643 -3.879 1.00 0.00 H new ATOM 116 N ILE A 48 5.463 10.383 -1.450 1.00 0.00 N ATOM 117 CA ILE A 48 6.226 9.184 -1.124 1.00 0.00 C ATOM 118 C ILE A 48 5.575 7.940 -1.719 1.00 0.00 C ATOM 119 O ILE A 48 6.136 6.845 -1.662 1.00 0.00 O ATOM 120 CB ILE A 48 6.362 9.000 0.399 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.980 8.923 1.051 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.175 10.137 0.999 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.983 8.227 2.394 1.00 0.00 C ATOM 0 H ILE A 48 4.788 10.660 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 48 7.218 9.314 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 48 6.886 8.064 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.589 9.933 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.300 8.398 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.262 9.993 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.169 10.148 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.677 11.086 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.970 8.209 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.343 7.205 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.637 8.764 3.081 1.00 0.00 H new ATOM 135 N PHE A 49 4.389 8.116 -2.293 1.00 0.00 N ATOM 136 CA PHE A 49 3.662 7.007 -2.900 1.00 0.00 C ATOM 137 C PHE A 49 3.316 7.315 -4.354 1.00 0.00 C ATOM 138 O PHE A 49 2.531 6.604 -4.981 1.00 0.00 O ATOM 139 CB PHE A 49 2.384 6.714 -2.111 1.00 0.00 C ATOM 140 CG PHE A 49 2.640 6.143 -0.745 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.195 4.882 -0.601 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.326 6.868 0.393 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.433 4.353 0.654 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.562 6.345 1.651 1.00 0.00 C ATOM 145 CZ PHE A 49 3.114 5.086 1.781 1.00 0.00 C ATOM 0 H PHE A 49 3.911 9.015 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 49 4.305 6.127 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.810 7.635 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.768 6.016 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.445 4.305 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.892 7.852 0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.867 3.369 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.315 6.920 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.296 4.675 2.763 1.00 0.00 H new ATOM 155 N SER A 50 3.908 8.381 -4.883 1.00 0.00 N ATOM 156 CA SER A 50 3.659 8.787 -6.262 1.00 0.00 C ATOM 157 C SER A 50 3.981 7.652 -7.229 1.00 0.00 C ATOM 158 O SER A 50 5.137 7.260 -7.381 1.00 0.00 O ATOM 159 CB SER A 50 4.494 10.021 -6.610 1.00 0.00 C ATOM 160 OG SER A 50 4.352 10.363 -7.978 1.00 0.00 O ATOM 0 H SER A 50 4.563 8.979 -4.379 1.00 0.00 H new ATOM 0 HA SER A 50 2.601 9.033 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.185 10.861 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.543 9.829 -6.387 1.00 0.00 H new ATOM 0 HG SER A 50 4.894 11.155 -8.175 1.00 0.00 H new ATOM 166 N GLY A 51 2.947 7.127 -7.880 1.00 0.00 N ATOM 167 CA GLY A 51 3.139 6.042 -8.824 1.00 0.00 C ATOM 168 C GLY A 51 3.151 4.683 -8.152 1.00 0.00 C ATOM 169 O GLY A 51 3.780 3.746 -8.641 1.00 0.00 O ATOM 0 H GLY A 51 1.980 7.434 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.344 6.068 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.079 6.189 -9.356 1.00 0.00 H new ATOM 173 N VAL A 52 2.455 4.577 -7.024 1.00 0.00 N ATOM 174 CA VAL A 52 2.388 3.323 -6.283 1.00 0.00 C ATOM 175 C VAL A 52 0.943 2.920 -6.014 1.00 0.00 C ATOM 176 O VAL A 52 0.238 3.572 -5.245 1.00 0.00 O ATOM 177 CB VAL A 52 3.139 3.424 -4.941 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.813 2.231 -4.056 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.638 3.531 -5.177 1.00 0.00 C ATOM 0 H VAL A 52 1.930 5.344 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 52 2.865 2.563 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 52 2.810 4.327 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.352 2.319 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.741 2.205 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.112 1.312 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.153 3.602 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.986 2.647 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.850 4.421 -5.769 1.00 0.00 H new ATOM 189 N ALA A 53 0.507 1.839 -6.654 1.00 0.00 N ATOM 190 CA ALA A 53 -0.854 1.347 -6.483 1.00 0.00 C ATOM 191 C ALA A 53 -0.884 0.120 -5.578 1.00 0.00 C ATOM 192 O ALA A 53 -0.065 -0.789 -5.722 1.00 0.00 O ATOM 193 CB ALA A 53 -1.472 1.023 -7.835 1.00 0.00 C ATOM 0 H ALA A 53 1.077 1.288 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.441 2.132 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.489 0.657 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.494 1.923 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.877 0.257 -8.333 1.00 0.00 H new ATOM 199 N ILE A 54 -1.830 0.101 -4.646 1.00 0.00 N ATOM 200 CA ILE A 54 -1.966 -1.015 -3.718 1.00 0.00 C ATOM 201 C ILE A 54 -3.332 -1.680 -3.853 1.00 0.00 C ATOM 202 O ILE A 54 -4.245 -1.126 -4.466 1.00 0.00 O ATOM 203 CB ILE A 54 -1.770 -0.562 -2.259 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.839 0.463 -1.873 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.377 0.020 -2.068 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.193 0.440 -0.403 1.00 0.00 C ATOM 0 H ILE A 54 -2.514 0.846 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.188 -1.734 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.873 -1.430 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.488 1.460 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.739 0.276 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.253 0.336 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.370 -0.737 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.248 0.879 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.956 1.192 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.574 -0.546 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.304 0.657 0.189 1.00 0.00 H new ATOM 218 N TYR A 55 -3.465 -2.868 -3.275 1.00 0.00 N ATOM 219 CA TYR A 55 -4.720 -3.609 -3.331 1.00 0.00 C ATOM 220 C TYR A 55 -4.885 -4.495 -2.100 1.00 0.00 C ATOM 221 O TYR A 55 -4.183 -5.494 -1.941 1.00 0.00 O ATOM 222 CB TYR A 55 -4.777 -4.462 -4.599 1.00 0.00 C ATOM 223 CG TYR A 55 -5.811 -5.563 -4.542 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.164 -5.281 -4.689 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.436 -6.886 -4.340 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.112 -6.284 -4.637 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.378 -7.895 -4.288 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.715 -7.589 -4.437 1.00 0.00 C ATOM 229 OH TYR A 55 -8.656 -8.592 -4.384 1.00 0.00 O ATOM 0 H TYR A 55 -2.720 -3.339 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.537 -2.888 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.992 -3.817 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.796 -4.905 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.479 -4.260 -4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.390 -7.129 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.159 -6.047 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.069 -8.918 -4.132 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.209 -9.452 -4.238 1.00 0.00 H new ATOM 239 N VAL A 56 -5.819 -4.122 -1.231 1.00 0.00 N ATOM 240 CA VAL A 56 -6.079 -4.882 -0.015 1.00 0.00 C ATOM 241 C VAL A 56 -6.882 -6.143 -0.316 1.00 0.00 C ATOM 242 O VAL A 56 -7.917 -6.088 -0.977 1.00 0.00 O ATOM 243 CB VAL A 56 -6.840 -4.037 1.024 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.848 -4.733 2.376 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.228 -2.649 1.133 1.00 0.00 C ATOM 0 H VAL A 56 -6.408 -3.298 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.109 -5.162 0.396 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.873 -3.929 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.390 -4.121 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.337 -5.703 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.823 -4.875 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.778 -2.066 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.186 -2.734 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.281 -2.151 0.165 1.00 0.00 H new ATOM 255 N ASN A 57 -6.396 -7.279 0.175 1.00 0.00 N ATOM 256 CA ASN A 57 -7.069 -8.554 -0.041 1.00 0.00 C ATOM 257 C ASN A 57 -7.263 -9.297 1.277 1.00 0.00 C ATOM 258 O ASN A 57 -6.298 -9.630 1.963 1.00 0.00 O ATOM 259 CB ASN A 57 -6.265 -9.420 -1.013 1.00 0.00 C ATOM 260 CG ASN A 57 -6.911 -10.770 -1.256 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.447 -11.388 -0.335 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.863 -11.235 -2.499 1.00 0.00 N ATOM 0 H ASN A 57 -5.539 -7.342 0.725 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.050 -8.350 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.160 -8.894 -1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.260 -9.567 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.281 -12.138 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.408 -10.689 -3.231 1.00 0.00 H new ATOM 269 N GLY A 58 -8.521 -9.555 1.625 1.00 0.00 N ATOM 270 CA GLY A 58 -8.820 -10.257 2.859 1.00 0.00 C ATOM 271 C GLY A 58 -8.758 -9.350 4.072 1.00 0.00 C ATOM 272 O GLY A 58 -8.709 -8.127 3.939 1.00 0.00 O ATOM 0 H GLY A 58 -9.337 -9.290 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.814 -10.699 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.114 -11.078 2.987 1.00 0.00 H new ATOM 276 N TYR A 59 -8.761 -9.949 5.258 1.00 0.00 N ATOM 277 CA TYR A 59 -8.709 -9.186 6.500 1.00 0.00 C ATOM 278 C TYR A 59 -7.309 -8.628 6.738 1.00 0.00 C ATOM 279 O TYR A 59 -6.318 -9.357 6.680 1.00 0.00 O ATOM 280 CB TYR A 59 -9.128 -10.064 7.680 1.00 0.00 C ATOM 281 CG TYR A 59 -8.684 -9.527 9.022 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.364 -9.644 9.437 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.586 -8.903 9.875 1.00 0.00 C ATOM 284 CE1 TYR A 59 -6.954 -9.156 10.662 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.185 -8.410 11.101 1.00 0.00 C ATOM 286 CZ TYR A 59 -7.868 -8.539 11.491 1.00 0.00 C ATOM 287 OH TYR A 59 -7.465 -8.051 12.712 1.00 0.00 O ATOM 0 H TYR A 59 -8.799 -10.960 5.386 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.403 -8.350 6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.213 -10.165 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.715 -11.063 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.645 -10.125 8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.618 -8.802 9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.924 -9.257 10.969 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.899 -7.926 11.751 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.230 -7.646 13.171 1.00 0.00 H new ATOM 297 N THR A 60 -7.235 -7.328 7.007 1.00 0.00 N ATOM 298 CA THR A 60 -5.958 -6.671 7.254 1.00 0.00 C ATOM 299 C THR A 60 -6.105 -5.554 8.281 1.00 0.00 C ATOM 300 O THR A 60 -7.215 -5.118 8.585 1.00 0.00 O ATOM 301 CB THR A 60 -5.367 -6.086 5.957 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.356 -5.304 5.278 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.872 -7.194 5.040 1.00 0.00 C ATOM 0 H THR A 60 -8.045 -6.710 7.059 1.00 0.00 H new ATOM 0 HA THR A 60 -5.281 -7.432 7.642 1.00 0.00 H new ATOM 0 HB THR A 60 -4.522 -5.451 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.516 -4.475 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.459 -6.757 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.099 -7.770 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.703 -7.851 4.782 1.00 0.00 H new ATOM 311 N ASP A 61 -4.977 -5.094 8.813 1.00 0.00 N ATOM 312 CA ASP A 61 -4.980 -4.025 9.805 1.00 0.00 C ATOM 313 C ASP A 61 -3.988 -2.930 9.427 1.00 0.00 C ATOM 314 O ASP A 61 -2.783 -3.160 9.320 1.00 0.00 O ATOM 315 CB ASP A 61 -4.641 -4.584 11.188 1.00 0.00 C ATOM 316 CG ASP A 61 -4.288 -3.494 12.182 1.00 0.00 C ATOM 317 OD1 ASP A 61 -5.218 -2.850 12.710 1.00 0.00 O ATOM 318 OD2 ASP A 61 -3.082 -3.285 12.430 1.00 0.00 O ATOM 0 H ASP A 61 -4.050 -5.445 8.574 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.979 -3.590 9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.490 -5.154 11.565 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.805 -5.278 11.101 1.00 0.00 H new ATOM 323 N PRO A 62 -4.504 -1.710 9.219 1.00 0.00 N ATOM 324 CA PRO A 62 -5.937 -1.424 9.342 1.00 0.00 C ATOM 325 C PRO A 62 -6.754 -2.068 8.228 1.00 0.00 C ATOM 326 O PRO A 62 -6.235 -2.860 7.442 1.00 0.00 O ATOM 327 CB PRO A 62 -6.005 0.102 9.242 1.00 0.00 C ATOM 328 CG PRO A 62 -4.789 0.485 8.472 1.00 0.00 C ATOM 329 CD PRO A 62 -3.729 -0.514 8.846 1.00 0.00 C ATOM 0 HA PRO A 62 -6.354 -1.823 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.914 0.425 8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.010 0.564 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.984 0.464 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.474 1.499 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.055 -0.715 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.116 -0.158 9.674 1.00 0.00 H new ATOM 337 N SER A 63 -8.036 -1.722 8.164 1.00 0.00 N ATOM 338 CA SER A 63 -8.927 -2.269 7.147 1.00 0.00 C ATOM 339 C SER A 63 -8.579 -1.718 5.768 1.00 0.00 C ATOM 340 O SER A 63 -7.735 -0.832 5.636 1.00 0.00 O ATOM 341 CB SER A 63 -10.383 -1.945 7.486 1.00 0.00 C ATOM 342 OG SER A 63 -10.733 -2.448 8.764 1.00 0.00 O ATOM 0 H SER A 63 -8.481 -1.065 8.805 1.00 0.00 H new ATOM 0 HA SER A 63 -8.798 -3.351 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.534 -0.866 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.040 -2.375 6.730 1.00 0.00 H new ATOM 0 HG SER A 63 -11.668 -2.226 8.958 1.00 0.00 H new ATOM 348 N ALA A 64 -9.236 -2.250 4.742 1.00 0.00 N ATOM 349 CA ALA A 64 -8.999 -1.811 3.373 1.00 0.00 C ATOM 350 C ALA A 64 -9.529 -0.399 3.149 1.00 0.00 C ATOM 351 O ALA A 64 -8.968 0.367 2.366 1.00 0.00 O ATOM 352 CB ALA A 64 -9.640 -2.779 2.390 1.00 0.00 C ATOM 0 H ALA A 64 -9.937 -2.986 4.834 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.922 -1.798 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.455 -2.439 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.211 -3.772 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.714 -2.821 2.569 1.00 0.00 H new ATOM 358 N GLU A 65 -10.611 -0.061 3.843 1.00 0.00 N ATOM 359 CA GLU A 65 -11.217 1.260 3.717 1.00 0.00 C ATOM 360 C GLU A 65 -10.286 2.339 4.263 1.00 0.00 C ATOM 361 O GLU A 65 -9.954 3.297 3.566 1.00 0.00 O ATOM 362 CB GLU A 65 -12.556 1.304 4.457 1.00 0.00 C ATOM 363 CG GLU A 65 -13.512 2.356 3.922 1.00 0.00 C ATOM 364 CD GLU A 65 -14.678 2.614 4.857 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.496 1.692 5.055 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.771 3.740 5.391 1.00 0.00 O ATOM 0 H GLU A 65 -11.086 -0.683 4.498 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.389 1.454 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.031 0.325 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.371 1.497 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.968 3.287 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.893 2.036 2.952 1.00 0.00 H new ATOM 373 N GLU A 66 -9.870 2.175 5.515 1.00 0.00 N ATOM 374 CA GLU A 66 -8.979 3.136 6.155 1.00 0.00 C ATOM 375 C GLU A 66 -7.754 3.405 5.285 1.00 0.00 C ATOM 376 O GLU A 66 -7.284 4.540 5.190 1.00 0.00 O ATOM 377 CB GLU A 66 -8.540 2.622 7.528 1.00 0.00 C ATOM 378 CG GLU A 66 -9.503 2.977 8.647 1.00 0.00 C ATOM 379 CD GLU A 66 -9.980 4.415 8.573 1.00 0.00 C ATOM 380 OE1 GLU A 66 -9.124 5.321 8.496 1.00 0.00 O ATOM 381 OE2 GLU A 66 -11.209 4.633 8.591 1.00 0.00 O ATOM 0 H GLU A 66 -10.135 1.387 6.106 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.525 4.071 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.432 1.538 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.557 3.031 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.364 2.310 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.016 2.809 9.607 1.00 0.00 H new ATOM 388 N LEU A 67 -7.243 2.355 4.653 1.00 0.00 N ATOM 389 CA LEU A 67 -6.072 2.477 3.790 1.00 0.00 C ATOM 390 C LEU A 67 -6.436 3.151 2.471 1.00 0.00 C ATOM 391 O LEU A 67 -5.740 4.058 2.014 1.00 0.00 O ATOM 392 CB LEU A 67 -5.467 1.098 3.521 1.00 0.00 C ATOM 393 CG LEU A 67 -5.064 0.290 4.755 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.991 -1.192 4.422 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.733 0.781 5.304 1.00 0.00 C ATOM 0 H LEU A 67 -7.620 1.410 4.721 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.336 3.096 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.186 0.513 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.586 1.226 2.892 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.825 0.432 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.703 -1.751 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.966 -1.536 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.252 -1.353 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.463 0.194 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.962 0.670 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.819 1.831 5.582 1.00 0.00 H new ATOM 407 N ARG A 68 -7.531 2.704 1.866 1.00 0.00 N ATOM 408 CA ARG A 68 -7.987 3.265 0.600 1.00 0.00 C ATOM 409 C ARG A 68 -7.803 4.779 0.578 1.00 0.00 C ATOM 410 O ARG A 68 -7.341 5.346 -0.413 1.00 0.00 O ATOM 411 CB ARG A 68 -9.458 2.916 0.363 1.00 0.00 C ATOM 412 CG ARG A 68 -10.176 3.893 -0.552 1.00 0.00 C ATOM 413 CD ARG A 68 -11.583 3.419 -0.879 1.00 0.00 C ATOM 414 NE ARG A 68 -12.051 3.936 -2.162 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.475 5.183 -2.341 1.00 0.00 C ATOM 416 NH1 ARG A 68 -12.489 6.034 -1.325 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.885 5.579 -3.539 1.00 0.00 N ATOM 0 H ARG A 68 -8.119 1.955 2.232 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.384 2.831 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.521 1.916 -0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.974 2.884 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.222 4.872 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.608 4.014 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.603 2.329 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.265 3.736 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.053 3.306 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.174 5.733 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.815 6.990 -1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.875 4.926 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.210 6.536 -3.676 1.00 0.00 H new ATOM 431 N LYS A 69 -8.168 5.430 1.678 1.00 0.00 N ATOM 432 CA LYS A 69 -8.043 6.878 1.787 1.00 0.00 C ATOM 433 C LYS A 69 -6.582 7.288 1.947 1.00 0.00 C ATOM 434 O LYS A 69 -6.053 8.064 1.150 1.00 0.00 O ATOM 435 CB LYS A 69 -8.861 7.394 2.973 1.00 0.00 C ATOM 436 CG LYS A 69 -10.362 7.273 2.775 1.00 0.00 C ATOM 437 CD LYS A 69 -10.863 5.885 3.139 1.00 0.00 C ATOM 438 CE LYS A 69 -12.306 5.922 3.618 1.00 0.00 C ATOM 439 NZ LYS A 69 -13.268 5.745 2.496 1.00 0.00 N ATOM 0 H LYS A 69 -8.553 4.977 2.507 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.428 7.320 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.575 6.842 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.609 8.440 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.872 8.017 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.611 7.490 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.783 5.229 2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.230 5.461 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.463 5.137 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.499 6.872 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.240 5.776 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.136 6.508 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.101 4.827 2.037 1.00 0.00 H new ATOM 453 N LEU A 70 -5.935 6.762 2.981 1.00 0.00 N ATOM 454 CA LEU A 70 -4.534 7.072 3.245 1.00 0.00 C ATOM 455 C LEU A 70 -3.765 7.268 1.942 1.00 0.00 C ATOM 456 O LEU A 70 -3.028 8.241 1.785 1.00 0.00 O ATOM 457 CB LEU A 70 -3.890 5.954 4.067 1.00 0.00 C ATOM 458 CG LEU A 70 -4.361 5.830 5.516 1.00 0.00 C ATOM 459 CD1 LEU A 70 -4.246 4.390 5.993 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.561 6.758 6.418 1.00 0.00 C ATOM 0 H LEU A 70 -6.358 6.119 3.650 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.494 8.002 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.077 5.006 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.811 6.107 4.069 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.409 6.124 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.586 4.321 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.863 3.748 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.207 4.068 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.910 6.656 7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.505 6.495 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.695 7.789 6.090 1.00 0.00 H new ATOM 472 N MET A 71 -3.944 6.338 1.010 1.00 0.00 N ATOM 473 CA MET A 71 -3.269 6.411 -0.281 1.00 0.00 C ATOM 474 C MET A 71 -3.620 7.707 -1.005 1.00 0.00 C ATOM 475 O MET A 71 -2.736 8.465 -1.405 1.00 0.00 O ATOM 476 CB MET A 71 -3.649 5.209 -1.148 1.00 0.00 C ATOM 477 CG MET A 71 -3.791 3.915 -0.364 1.00 0.00 C ATOM 478 SD MET A 71 -2.611 3.793 0.994 1.00 0.00 S ATOM 479 CE MET A 71 -1.064 4.024 0.121 1.00 0.00 C ATOM 0 H MET A 71 -4.550 5.526 1.124 1.00 0.00 H new ATOM 0 HA MET A 71 -2.194 6.395 -0.103 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.589 5.421 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.892 5.075 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.804 3.844 0.032 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.652 3.069 -1.038 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.313 4.412 0.809 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.728 3.069 -0.282 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.209 4.732 -0.695 1.00 0.00 H new ATOM 489 N MET A 72 -4.915 7.954 -1.172 1.00 0.00 N ATOM 490 CA MET A 72 -5.382 9.159 -1.848 1.00 0.00 C ATOM 491 C MET A 72 -5.122 10.397 -0.994 1.00 0.00 C ATOM 492 O MET A 72 -5.174 11.525 -1.486 1.00 0.00 O ATOM 493 CB MET A 72 -6.875 9.047 -2.162 1.00 0.00 C ATOM 494 CG MET A 72 -7.772 9.503 -1.023 1.00 0.00 C ATOM 495 SD MET A 72 -9.514 9.554 -1.487 1.00 0.00 S ATOM 496 CE MET A 72 -9.702 11.286 -1.903 1.00 0.00 C ATOM 0 H MET A 72 -5.659 7.336 -0.849 1.00 0.00 H new ATOM 0 HA MET A 72 -4.828 9.260 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.097 9.641 -3.048 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.110 8.011 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.646 8.830 -0.175 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.459 10.494 -0.694 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.730 11.477 -2.211 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.465 11.897 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.026 11.540 -2.719 1.00 0.00 H new ATOM 506 N LEU A 73 -4.841 10.179 0.286 1.00 0.00 N ATOM 507 CA LEU A 73 -4.573 11.276 1.208 1.00 0.00 C ATOM 508 C LEU A 73 -3.085 11.613 1.236 1.00 0.00 C ATOM 509 O LEU A 73 -2.672 12.598 1.848 1.00 0.00 O ATOM 510 CB LEU A 73 -5.052 10.915 2.615 1.00 0.00 C ATOM 511 CG LEU A 73 -6.564 10.772 2.793 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.879 9.880 3.984 1.00 0.00 C ATOM 513 CD2 LEU A 73 -7.213 12.138 2.961 1.00 0.00 C ATOM 0 H LEU A 73 -4.793 9.252 0.709 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.119 12.152 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.581 9.976 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.696 11.679 3.306 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.973 10.305 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.960 9.790 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.447 8.892 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.456 10.318 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.289 12.017 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.799 12.632 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.017 12.745 2.077 1.00 0.00 H new ATOM 525 N HIS A 74 -2.285 10.789 0.567 1.00 0.00 N ATOM 526 CA HIS A 74 -0.843 11.001 0.513 1.00 0.00 C ATOM 527 C HIS A 74 -0.352 11.026 -0.932 1.00 0.00 C ATOM 528 O HIS A 74 0.851 11.047 -1.188 1.00 0.00 O ATOM 529 CB HIS A 74 -0.115 9.905 1.292 1.00 0.00 C ATOM 530 CG HIS A 74 -0.053 10.159 2.766 1.00 0.00 C ATOM 531 ND1 HIS A 74 0.993 10.820 3.373 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.917 9.837 3.757 1.00 0.00 C ATOM 533 CE1 HIS A 74 0.771 10.893 4.673 1.00 0.00 C ATOM 534 NE2 HIS A 74 -0.382 10.304 4.932 1.00 0.00 N ATOM 0 H HIS A 74 -2.610 9.969 0.055 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.625 11.966 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.615 8.953 1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.899 9.808 0.905 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.811 11.195 2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.853 9.311 3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.422 11.356 5.400 1.00 0.00 H new ATOM 542 N GLY A 75 -1.292 11.025 -1.872 1.00 0.00 N ATOM 543 CA GLY A 75 -0.935 11.047 -3.278 1.00 0.00 C ATOM 544 C GLY A 75 -0.912 9.661 -3.893 1.00 0.00 C ATOM 545 O GLY A 75 -0.882 9.516 -5.114 1.00 0.00 O ATOM 0 H GLY A 75 -2.295 11.009 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.646 11.670 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.046 11.509 -3.393 1.00 0.00 H new ATOM 549 N GLY A 76 -0.924 8.638 -3.043 1.00 0.00 N ATOM 550 CA GLY A 76 -0.902 7.271 -3.528 1.00 0.00 C ATOM 551 C GLY A 76 -2.151 6.912 -4.308 1.00 0.00 C ATOM 552 O GLY A 76 -3.079 7.715 -4.408 1.00 0.00 O ATOM 0 H GLY A 76 -0.949 8.732 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.027 7.128 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.797 6.591 -2.683 1.00 0.00 H new ATOM 556 N GLN A 77 -2.174 5.705 -4.863 1.00 0.00 N ATOM 557 CA GLN A 77 -3.318 5.244 -5.640 1.00 0.00 C ATOM 558 C GLN A 77 -3.929 3.991 -5.020 1.00 0.00 C ATOM 559 O GLN A 77 -3.311 3.340 -4.177 1.00 0.00 O ATOM 560 CB GLN A 77 -2.900 4.960 -7.084 1.00 0.00 C ATOM 561 CG GLN A 77 -2.020 6.044 -7.687 1.00 0.00 C ATOM 562 CD GLN A 77 -2.077 6.067 -9.201 1.00 0.00 C ATOM 563 OE1 GLN A 77 -3.097 6.428 -9.790 1.00 0.00 O ATOM 564 NE2 GLN A 77 -0.980 5.681 -9.841 1.00 0.00 N ATOM 0 H GLN A 77 -1.414 5.029 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.070 6.033 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.367 4.010 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.794 4.847 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.330 7.015 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.989 5.889 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.157 5.390 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.960 5.676 -10.861 1.00 0.00 H new ATOM 573 N TYR A 78 -5.144 3.660 -5.442 1.00 0.00 N ATOM 574 CA TYR A 78 -5.839 2.487 -4.926 1.00 0.00 C ATOM 575 C TYR A 78 -6.693 1.838 -6.011 1.00 0.00 C ATOM 576 O TYR A 78 -7.224 2.519 -6.890 1.00 0.00 O ATOM 577 CB TYR A 78 -6.716 2.872 -3.733 1.00 0.00 C ATOM 578 CG TYR A 78 -7.428 1.697 -3.101 1.00 0.00 C ATOM 579 CD1 TYR A 78 -6.814 0.938 -2.113 1.00 0.00 C ATOM 580 CD2 TYR A 78 -8.713 1.345 -3.493 1.00 0.00 C ATOM 581 CE1 TYR A 78 -7.460 -0.137 -1.533 1.00 0.00 C ATOM 582 CE2 TYR A 78 -9.368 0.273 -2.918 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.736 -0.465 -1.938 1.00 0.00 C ATOM 584 OH TYR A 78 -9.384 -1.534 -1.364 1.00 0.00 O ATOM 0 H TYR A 78 -5.668 4.188 -6.140 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.089 1.766 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.097 3.359 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.456 3.603 -4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.814 1.192 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.209 1.920 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.968 -0.717 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.368 0.014 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.275 -1.628 -1.761 1.00 0.00 H new ATOM 594 N HIS A 79 -6.821 0.517 -5.943 1.00 0.00 N ATOM 595 CA HIS A 79 -7.611 -0.226 -6.919 1.00 0.00 C ATOM 596 C HIS A 79 -8.578 -1.179 -6.222 1.00 0.00 C ATOM 597 O HIS A 79 -8.210 -1.867 -5.271 1.00 0.00 O ATOM 598 CB HIS A 79 -6.695 -1.008 -7.860 1.00 0.00 C ATOM 599 CG HIS A 79 -5.864 -0.136 -8.750 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.527 -0.367 -8.995 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.189 0.972 -9.457 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.065 0.563 -9.813 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.054 1.387 -10.108 1.00 0.00 N ATOM 0 H HIS A 79 -6.388 -0.061 -5.223 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.190 0.490 -7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.035 -1.642 -7.268 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.302 -1.670 -8.478 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.980 -1.135 -8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.160 1.442 -9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.051 0.636 -10.178 1.00 0.00 H new ATOM 611 N VAL A 80 -9.817 -1.212 -6.703 1.00 0.00 N ATOM 612 CA VAL A 80 -10.837 -2.081 -6.127 1.00 0.00 C ATOM 613 C VAL A 80 -10.669 -3.518 -6.606 1.00 0.00 C ATOM 614 O VAL A 80 -10.874 -4.465 -5.845 1.00 0.00 O ATOM 615 CB VAL A 80 -12.255 -1.595 -6.483 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.303 -2.435 -5.769 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.415 -0.122 -6.138 1.00 0.00 C ATOM 0 H VAL A 80 -10.138 -0.648 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.709 -2.045 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.401 -1.711 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.298 -2.077 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.201 -3.477 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.162 -2.354 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.422 0.205 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.249 0.022 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.688 0.464 -6.700 1.00 0.00 H new ATOM 627 N TYR A 81 -10.295 -3.675 -7.871 1.00 0.00 N ATOM 628 CA TYR A 81 -10.101 -4.997 -8.452 1.00 0.00 C ATOM 629 C TYR A 81 -8.629 -5.243 -8.768 1.00 0.00 C ATOM 630 O TYR A 81 -8.014 -4.500 -9.533 1.00 0.00 O ATOM 631 CB TYR A 81 -10.939 -5.146 -9.723 1.00 0.00 C ATOM 632 CG TYR A 81 -10.969 -3.900 -10.578 1.00 0.00 C ATOM 633 CD1 TYR A 81 -11.872 -2.876 -10.318 1.00 0.00 C ATOM 634 CD2 TYR A 81 -10.095 -3.745 -11.647 1.00 0.00 C ATOM 635 CE1 TYR A 81 -11.904 -1.736 -11.096 1.00 0.00 C ATOM 636 CE2 TYR A 81 -10.118 -2.607 -12.430 1.00 0.00 C ATOM 637 CZ TYR A 81 -11.025 -1.606 -12.151 1.00 0.00 C ATOM 638 OH TYR A 81 -11.052 -0.472 -12.930 1.00 0.00 O ATOM 0 H TYR A 81 -10.120 -2.902 -8.513 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.425 -5.738 -7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.544 -5.972 -10.314 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.959 -5.411 -9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.561 -2.974 -9.492 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.385 -4.528 -11.870 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.613 -0.951 -10.880 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.430 -2.502 -13.256 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.368 -0.539 -13.629 1.00 0.00 H new ATOM 648 N TYR A 82 -8.071 -6.292 -8.174 1.00 0.00 N ATOM 649 CA TYR A 82 -6.670 -6.636 -8.390 1.00 0.00 C ATOM 650 C TYR A 82 -6.278 -6.434 -9.850 1.00 0.00 C ATOM 651 O TYR A 82 -7.040 -6.762 -10.760 1.00 0.00 O ATOM 652 CB TYR A 82 -6.411 -8.086 -7.976 1.00 0.00 C ATOM 653 CG TYR A 82 -5.031 -8.583 -8.345 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.905 -7.801 -8.115 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.853 -9.833 -8.924 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.643 -8.250 -8.451 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.594 -10.291 -9.261 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.493 -9.496 -9.024 1.00 0.00 C ATOM 659 OH TYR A 82 -1.237 -9.949 -9.360 1.00 0.00 O ATOM 0 H TYR A 82 -8.567 -6.919 -7.540 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.060 -5.974 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.545 -8.177 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.157 -8.728 -8.445 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.019 -6.825 -7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.713 -10.457 -9.114 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.779 -7.629 -8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.473 -11.267 -9.708 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.306 -10.845 -9.752 1.00 0.00 H new ATOM 669 N SER A 83 -5.084 -5.893 -10.066 1.00 0.00 N ATOM 670 CA SER A 83 -4.590 -5.644 -11.415 1.00 0.00 C ATOM 671 C SER A 83 -3.114 -6.013 -11.530 1.00 0.00 C ATOM 672 O SER A 83 -2.340 -5.821 -10.592 1.00 0.00 O ATOM 673 CB SER A 83 -4.791 -4.175 -11.791 1.00 0.00 C ATOM 674 OG SER A 83 -6.132 -3.926 -12.177 1.00 0.00 O ATOM 0 H SER A 83 -4.440 -5.618 -9.324 1.00 0.00 H new ATOM 0 HA SER A 83 -5.157 -6.269 -12.104 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.529 -3.541 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.119 -3.910 -12.607 1.00 0.00 H new ATOM 0 HG SER A 83 -6.724 -4.057 -11.407 1.00 0.00 H new ATOM 680 N ARG A 84 -2.731 -6.543 -12.687 1.00 0.00 N ATOM 681 CA ARG A 84 -1.348 -6.940 -12.925 1.00 0.00 C ATOM 682 C ARG A 84 -0.561 -5.805 -13.575 1.00 0.00 C ATOM 683 O ARG A 84 0.645 -5.676 -13.369 1.00 0.00 O ATOM 684 CB ARG A 84 -1.299 -8.184 -13.815 1.00 0.00 C ATOM 685 CG ARG A 84 -1.818 -9.440 -13.134 1.00 0.00 C ATOM 686 CD ARG A 84 -3.320 -9.591 -13.313 1.00 0.00 C ATOM 687 NE ARG A 84 -3.671 -9.992 -14.673 1.00 0.00 N ATOM 688 CZ ARG A 84 -3.653 -11.252 -15.095 1.00 0.00 C ATOM 689 NH1 ARG A 84 -3.303 -12.227 -14.267 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.986 -11.538 -16.347 1.00 0.00 N ATOM 0 H ARG A 84 -3.359 -6.707 -13.474 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.891 -7.171 -11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.886 -8.000 -14.715 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.270 -8.352 -14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.312 -10.314 -13.545 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.579 -9.404 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.697 -10.332 -12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.810 -8.647 -13.075 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.945 -9.266 -15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.047 -12.011 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.290 -13.193 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.256 -10.791 -16.986 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.972 -12.505 -16.670 1.00 0.00 H new ATOM 704 N SER A 85 -1.253 -4.986 -14.360 1.00 0.00 N ATOM 705 CA SER A 85 -0.618 -3.865 -15.043 1.00 0.00 C ATOM 706 C SER A 85 -0.750 -2.584 -14.225 1.00 0.00 C ATOM 707 O SER A 85 0.197 -1.806 -14.110 1.00 0.00 O ATOM 708 CB SER A 85 -1.239 -3.666 -16.427 1.00 0.00 C ATOM 709 OG SER A 85 -0.557 -4.429 -17.407 1.00 0.00 O ATOM 0 H SER A 85 -2.253 -5.077 -14.539 1.00 0.00 H new ATOM 0 HA SER A 85 0.441 -4.094 -15.157 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.290 -3.956 -16.403 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.205 -2.610 -16.696 1.00 0.00 H new ATOM 0 HG SER A 85 -0.974 -4.286 -18.282 1.00 0.00 H new ATOM 715 N LYS A 86 -1.933 -2.372 -13.657 1.00 0.00 N ATOM 716 CA LYS A 86 -2.191 -1.188 -12.847 1.00 0.00 C ATOM 717 C LYS A 86 -1.504 -1.296 -11.490 1.00 0.00 C ATOM 718 O LYS A 86 -0.504 -0.624 -11.233 1.00 0.00 O ATOM 719 CB LYS A 86 -3.698 -0.996 -12.654 1.00 0.00 C ATOM 720 CG LYS A 86 -4.470 -0.899 -13.958 1.00 0.00 C ATOM 721 CD LYS A 86 -4.576 0.538 -14.438 1.00 0.00 C ATOM 722 CE LYS A 86 -3.300 0.989 -15.132 1.00 0.00 C ATOM 723 NZ LYS A 86 -3.552 2.101 -16.090 1.00 0.00 N ATOM 0 H LYS A 86 -2.728 -3.005 -13.743 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.784 -0.324 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.090 -1.829 -12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.869 -0.090 -12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.976 -1.502 -14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.469 -1.313 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.418 0.632 -15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.781 1.192 -13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.575 1.311 -14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.858 0.146 -15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.658 2.379 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.225 1.786 -16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.950 2.915 -15.580 1.00 0.00 H new ATOM 737 N THR A 87 -2.045 -2.146 -10.623 1.00 0.00 N ATOM 738 CA THR A 87 -1.484 -2.342 -9.292 1.00 0.00 C ATOM 739 C THR A 87 -0.052 -2.860 -9.371 1.00 0.00 C ATOM 740 O THR A 87 0.256 -3.748 -10.167 1.00 0.00 O ATOM 741 CB THR A 87 -2.330 -3.328 -8.465 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.666 -2.832 -8.329 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.720 -3.542 -7.088 1.00 0.00 C ATOM 0 H THR A 87 -2.872 -2.710 -10.819 1.00 0.00 H new ATOM 0 HA THR A 87 -1.490 -1.369 -8.800 1.00 0.00 H new ATOM 0 HB THR A 87 -2.349 -4.284 -8.988 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.198 -3.465 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.335 -4.242 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.714 -3.947 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.674 -2.590 -6.559 1.00 0.00 H new ATOM 751 N THR A 88 0.821 -2.301 -8.538 1.00 0.00 N ATOM 752 CA THR A 88 2.221 -2.706 -8.513 1.00 0.00 C ATOM 753 C THR A 88 2.487 -3.693 -7.382 1.00 0.00 C ATOM 754 O THR A 88 3.274 -4.628 -7.533 1.00 0.00 O ATOM 755 CB THR A 88 3.154 -1.492 -8.351 1.00 0.00 C ATOM 756 OG1 THR A 88 2.782 -0.739 -7.191 1.00 0.00 O ATOM 757 CG2 THR A 88 3.098 -0.598 -9.581 1.00 0.00 C ATOM 0 H THR A 88 0.583 -1.566 -7.872 1.00 0.00 H new ATOM 0 HA THR A 88 2.428 -3.188 -9.468 1.00 0.00 H new ATOM 0 HB THR A 88 4.174 -1.859 -8.234 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.962 -1.268 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.765 0.253 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.410 -1.165 -10.458 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.079 -0.240 -9.724 1.00 0.00 H new ATOM 765 N HIS A 89 1.828 -3.478 -6.248 1.00 0.00 N ATOM 766 CA HIS A 89 1.993 -4.350 -5.091 1.00 0.00 C ATOM 767 C HIS A 89 0.639 -4.816 -4.563 1.00 0.00 C ATOM 768 O HIS A 89 -0.406 -4.318 -4.984 1.00 0.00 O ATOM 769 CB HIS A 89 2.762 -3.626 -3.986 1.00 0.00 C ATOM 770 CG HIS A 89 4.079 -3.072 -4.436 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.197 -1.893 -5.142 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.338 -3.541 -4.276 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.473 -1.662 -5.399 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.186 -2.647 -4.883 1.00 0.00 N ATOM 0 H HIS A 89 1.175 -2.708 -6.106 1.00 0.00 H new ATOM 0 HA HIS A 89 2.561 -5.225 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.148 -2.812 -3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.931 -4.317 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.623 -4.449 -3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.866 -0.813 -5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.202 -2.730 -4.928 1.00 0.00 H new ATOM 782 N ILE A 90 0.666 -5.773 -3.642 1.00 0.00 N ATOM 783 CA ILE A 90 -0.559 -6.305 -3.058 1.00 0.00 C ATOM 784 C ILE A 90 -0.480 -6.320 -1.535 1.00 0.00 C ATOM 785 O ILE A 90 0.383 -6.980 -0.955 1.00 0.00 O ATOM 786 CB ILE A 90 -0.849 -7.732 -3.560 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.010 -7.737 -5.082 1.00 0.00 C ATOM 788 CG2 ILE A 90 -2.096 -8.287 -2.888 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.944 -9.120 -5.692 1.00 0.00 C ATOM 0 H ILE A 90 1.522 -6.196 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.370 -5.647 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.005 -8.372 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.966 -7.280 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.231 -7.116 -5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.288 -9.296 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.946 -8.314 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.949 -7.649 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.066 -9.047 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.022 -9.572 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.740 -9.739 -5.278 1.00 0.00 H new ATOM 801 N ILE A 91 -1.387 -5.591 -0.894 1.00 0.00 N ATOM 802 CA ILE A 91 -1.422 -5.523 0.562 1.00 0.00 C ATOM 803 C ILE A 91 -2.287 -6.636 1.143 1.00 0.00 C ATOM 804 O ILE A 91 -3.467 -6.754 0.816 1.00 0.00 O ATOM 805 CB ILE A 91 -1.957 -4.164 1.049 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.065 -3.029 0.544 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.042 -4.143 2.568 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.396 -3.207 0.893 1.00 0.00 C ATOM 0 H ILE A 91 -2.107 -5.039 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.396 -5.645 0.909 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.959 -4.019 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.165 -2.954 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.418 -2.087 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.422 -3.176 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.715 -4.931 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.050 -4.307 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.968 -2.365 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.508 -3.252 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.765 -4.132 0.451 1.00 0.00 H new ATOM 820 N ALA A 92 -1.691 -7.450 2.009 1.00 0.00 N ATOM 821 CA ALA A 92 -2.408 -8.551 2.639 1.00 0.00 C ATOM 822 C ALA A 92 -1.593 -9.157 3.777 1.00 0.00 C ATOM 823 O ALA A 92 -0.423 -9.499 3.603 1.00 0.00 O ATOM 824 CB ALA A 92 -2.752 -9.616 1.608 1.00 0.00 C ATOM 0 H ALA A 92 -0.714 -7.367 2.290 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.333 -8.156 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.287 -10.432 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.381 -9.181 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.835 -9.999 1.160 1.00 0.00 H new ATOM 830 N THR A 93 -2.219 -9.288 4.943 1.00 0.00 N ATOM 831 CA THR A 93 -1.551 -9.851 6.109 1.00 0.00 C ATOM 832 C THR A 93 -1.131 -11.295 5.859 1.00 0.00 C ATOM 833 O THR A 93 0.043 -11.640 5.981 1.00 0.00 O ATOM 834 CB THR A 93 -2.456 -9.799 7.354 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.315 -8.655 7.289 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.624 -9.743 8.627 1.00 0.00 C ATOM 0 H THR A 93 -3.188 -9.012 5.104 1.00 0.00 H new ATOM 0 HA THR A 93 -0.664 -9.244 6.288 1.00 0.00 H new ATOM 0 HB THR A 93 -3.060 -10.706 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.379 -8.243 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.285 -9.707 9.493 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.993 -10.630 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.996 -8.852 8.613 1.00 0.00 H new ATOM 844 N ASN A 94 -2.100 -12.135 5.509 1.00 0.00 N ATOM 845 CA ASN A 94 -1.830 -13.543 5.241 1.00 0.00 C ATOM 846 C ASN A 94 -2.787 -14.089 4.185 1.00 0.00 C ATOM 847 O ASN A 94 -3.966 -13.737 4.159 1.00 0.00 O ATOM 848 CB ASN A 94 -1.953 -14.361 6.528 1.00 0.00 C ATOM 849 CG ASN A 94 -2.383 -15.791 6.266 1.00 0.00 C ATOM 850 OD1 ASN A 94 -1.554 -16.661 5.996 1.00 0.00 O ATOM 851 ND2 ASN A 94 -3.685 -16.042 6.343 1.00 0.00 N ATOM 0 H ASN A 94 -3.078 -11.865 5.404 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.812 -13.626 4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -0.995 -14.362 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.674 -13.883 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.033 -16.986 6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.337 -15.291 6.570 1.00 0.00 H new ATOM 858 N LEU A 95 -2.270 -14.952 3.317 1.00 0.00 N ATOM 859 CA LEU A 95 -3.078 -15.548 2.259 1.00 0.00 C ATOM 860 C LEU A 95 -2.983 -17.070 2.293 1.00 0.00 C ATOM 861 O LEU A 95 -1.956 -17.645 2.655 1.00 0.00 O ATOM 862 CB LEU A 95 -2.628 -15.028 0.892 1.00 0.00 C ATOM 863 CG LEU A 95 -2.985 -13.576 0.575 1.00 0.00 C ATOM 864 CD1 LEU A 95 -2.098 -13.038 -0.537 1.00 0.00 C ATOM 865 CD2 LEU A 95 -4.453 -13.459 0.193 1.00 0.00 C ATOM 0 H LEU A 95 -1.296 -15.254 3.325 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.117 -15.263 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.546 -15.139 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.064 -15.665 0.122 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.814 -12.977 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.367 -12.003 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.055 -13.085 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.236 -13.640 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.689 -12.418 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.650 -14.072 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.073 -13.803 1.021 1.00 0.00 H new ATOM 877 N PRO A 96 -4.079 -17.740 1.905 1.00 0.00 N ATOM 878 CA PRO A 96 -4.143 -19.205 1.880 1.00 0.00 C ATOM 879 C PRO A 96 -3.268 -19.805 0.785 1.00 0.00 C ATOM 880 O PRO A 96 -2.775 -19.092 -0.088 1.00 0.00 O ATOM 881 CB PRO A 96 -5.621 -19.490 1.602 1.00 0.00 C ATOM 882 CG PRO A 96 -6.114 -18.276 0.892 1.00 0.00 C ATOM 883 CD PRO A 96 -5.338 -17.120 1.461 1.00 0.00 C ATOM 0 HA PRO A 96 -3.777 -19.645 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.744 -20.384 0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.172 -19.659 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.955 -18.361 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.185 -18.141 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.163 -16.346 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.868 -16.649 2.289 1.00 0.00 H new ATOM 891 N ASN A 97 -3.081 -21.120 0.837 1.00 0.00 N ATOM 892 CA ASN A 97 -2.265 -21.815 -0.151 1.00 0.00 C ATOM 893 C ASN A 97 -2.669 -21.417 -1.567 1.00 0.00 C ATOM 894 O ASN A 97 -1.872 -20.851 -2.315 1.00 0.00 O ATOM 895 CB ASN A 97 -2.399 -23.330 0.022 1.00 0.00 C ATOM 896 CG ASN A 97 -3.844 -23.772 0.146 1.00 0.00 C ATOM 897 OD1 ASN A 97 -4.498 -23.515 1.157 1.00 0.00 O ATOM 898 ND2 ASN A 97 -4.348 -24.442 -0.883 1.00 0.00 N ATOM 0 H ASN A 97 -3.484 -21.725 1.553 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.225 -21.528 0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.940 -23.832 -0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.849 -23.642 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.315 -24.767 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.769 -24.632 -1.701 1.00 0.00 H new ATOM 905 N ALA A 98 -3.913 -21.714 -1.928 1.00 0.00 N ATOM 906 CA ALA A 98 -4.424 -21.385 -3.253 1.00 0.00 C ATOM 907 C ALA A 98 -4.034 -19.966 -3.654 1.00 0.00 C ATOM 908 O ALA A 98 -3.418 -19.752 -4.698 1.00 0.00 O ATOM 909 CB ALA A 98 -5.936 -21.550 -3.292 1.00 0.00 C ATOM 0 H ALA A 98 -4.586 -22.182 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.976 -22.074 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.304 -21.301 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.196 -22.582 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.394 -20.885 -2.559 1.00 0.00 H new ATOM 915 N LYS A 99 -4.398 -18.999 -2.819 1.00 0.00 N ATOM 916 CA LYS A 99 -4.087 -17.600 -3.086 1.00 0.00 C ATOM 917 C LYS A 99 -2.599 -17.417 -3.366 1.00 0.00 C ATOM 918 O LYS A 99 -2.214 -16.894 -4.412 1.00 0.00 O ATOM 919 CB LYS A 99 -4.504 -16.728 -1.899 1.00 0.00 C ATOM 920 CG LYS A 99 -5.912 -16.171 -2.018 1.00 0.00 C ATOM 921 CD LYS A 99 -6.916 -17.261 -2.356 1.00 0.00 C ATOM 922 CE LYS A 99 -8.076 -16.716 -3.176 1.00 0.00 C ATOM 923 NZ LYS A 99 -9.291 -17.568 -3.052 1.00 0.00 N ATOM 0 H LYS A 99 -4.909 -19.159 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.646 -17.292 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.431 -17.316 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.802 -15.900 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.195 -15.692 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.936 -15.401 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.418 -18.056 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.296 -17.705 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.308 -15.703 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.782 -16.653 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.059 -17.163 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.077 -18.529 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.587 -17.608 -2.056 1.00 0.00 H new ATOM 937 N ILE A 100 -1.767 -17.853 -2.425 1.00 0.00 N ATOM 938 CA ILE A 100 -0.321 -17.740 -2.573 1.00 0.00 C ATOM 939 C ILE A 100 0.138 -18.287 -3.920 1.00 0.00 C ATOM 940 O ILE A 100 0.766 -17.580 -4.709 1.00 0.00 O ATOM 941 CB ILE A 100 0.420 -18.486 -1.449 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.072 -17.879 -0.088 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.922 -18.444 -1.685 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.235 -18.846 1.064 1.00 0.00 C ATOM 0 H ILE A 100 -2.069 -18.287 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.080 -16.679 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 100 0.101 -19.528 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.706 -17.009 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.958 -17.523 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.432 -18.976 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.154 -18.919 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.258 -17.407 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.029 -18.348 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.419 -19.705 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.271 -19.183 1.113 1.00 0.00 H new ATOM 956 N LYS A 101 -0.180 -19.550 -4.179 1.00 0.00 N ATOM 957 CA LYS A 101 0.196 -20.194 -5.433 1.00 0.00 C ATOM 958 C LYS A 101 -0.254 -19.361 -6.628 1.00 0.00 C ATOM 959 O LYS A 101 0.450 -19.271 -7.634 1.00 0.00 O ATOM 960 CB LYS A 101 -0.414 -21.594 -5.514 1.00 0.00 C ATOM 961 CG LYS A 101 0.179 -22.453 -6.617 1.00 0.00 C ATOM 962 CD LYS A 101 -0.579 -22.286 -7.923 1.00 0.00 C ATOM 963 CE LYS A 101 0.068 -23.077 -9.050 1.00 0.00 C ATOM 964 NZ LYS A 101 1.090 -22.273 -9.775 1.00 0.00 N ATOM 0 H LYS A 101 -0.698 -20.150 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 101 1.283 -20.277 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.274 -22.098 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.489 -21.504 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.225 -22.185 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.158 -23.500 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.610 -22.616 -7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.614 -21.230 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.534 -23.975 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.700 -23.406 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.508 -22.847 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.641 -21.429 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.836 -21.981 -9.112 1.00 0.00 H new ATOM 978 N GLU A 102 -1.431 -18.753 -6.511 1.00 0.00 N ATOM 979 CA GLU A 102 -1.973 -17.927 -7.583 1.00 0.00 C ATOM 980 C GLU A 102 -1.181 -16.630 -7.726 1.00 0.00 C ATOM 981 O GLU A 102 -1.116 -16.045 -8.807 1.00 0.00 O ATOM 982 CB GLU A 102 -3.447 -17.610 -7.318 1.00 0.00 C ATOM 983 CG GLU A 102 -4.126 -16.871 -8.458 1.00 0.00 C ATOM 984 CD GLU A 102 -3.771 -17.443 -9.817 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.336 -18.494 -10.185 1.00 0.00 O ATOM 986 OE2 GLU A 102 -2.928 -16.838 -10.513 1.00 0.00 O ATOM 0 H GLU A 102 -2.026 -18.817 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.890 -18.487 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.982 -18.541 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.523 -17.010 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.207 -16.913 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.841 -15.819 -8.425 1.00 0.00 H new ATOM 993 N LEU A 103 -0.580 -16.188 -6.626 1.00 0.00 N ATOM 994 CA LEU A 103 0.208 -14.960 -6.627 1.00 0.00 C ATOM 995 C LEU A 103 1.701 -15.272 -6.630 1.00 0.00 C ATOM 996 O LEU A 103 2.476 -14.658 -5.896 1.00 0.00 O ATOM 997 CB LEU A 103 -0.143 -14.104 -5.409 1.00 0.00 C ATOM 998 CG LEU A 103 -1.633 -13.856 -5.171 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.914 -13.676 -3.687 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.103 -12.639 -5.955 1.00 0.00 C ATOM 0 H LEU A 103 -0.623 -16.661 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.031 -14.405 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.272 -14.583 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.354 -13.139 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.187 -14.727 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.979 -13.501 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.615 -14.575 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.349 -12.823 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.166 -12.478 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.543 -11.761 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.938 -12.806 -7.019 1.00 0.00 H new ATOM 1012 N LYS A 104 2.099 -16.228 -7.463 1.00 0.00 N ATOM 1013 CA LYS A 104 3.499 -16.620 -7.565 1.00 0.00 C ATOM 1014 C LYS A 104 4.343 -15.481 -8.128 1.00 0.00 C ATOM 1015 O LYS A 104 4.058 -14.957 -9.204 1.00 0.00 O ATOM 1016 CB LYS A 104 3.640 -17.859 -8.452 1.00 0.00 C ATOM 1017 CG LYS A 104 3.490 -19.168 -7.696 1.00 0.00 C ATOM 1018 CD LYS A 104 4.822 -19.653 -7.149 1.00 0.00 C ATOM 1019 CE LYS A 104 5.220 -18.889 -5.895 1.00 0.00 C ATOM 1020 NZ LYS A 104 6.131 -19.685 -5.027 1.00 0.00 N ATOM 0 H LYS A 104 1.471 -16.746 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 104 3.858 -16.855 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.890 -17.817 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.616 -17.839 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.785 -19.036 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.070 -19.925 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.758 -20.717 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.594 -19.534 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.710 -17.957 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.325 -18.621 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.379 -19.130 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.655 -20.563 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.996 -19.919 -5.554 1.00 0.00 H new ATOM 1034 N GLY A 105 5.386 -15.103 -7.394 1.00 0.00 N ATOM 1035 CA GLY A 105 6.256 -14.030 -7.837 1.00 0.00 C ATOM 1036 C GLY A 105 5.788 -12.670 -7.358 1.00 0.00 C ATOM 1037 O GLY A 105 6.602 -11.786 -7.091 1.00 0.00 O ATOM 0 H GLY A 105 5.643 -15.521 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.267 -14.212 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.304 -14.032 -8.926 1.00 0.00 H new ATOM 1041 N GLU A 106 4.474 -12.501 -7.250 1.00 0.00 N ATOM 1042 CA GLU A 106 3.901 -11.237 -6.802 1.00 0.00 C ATOM 1043 C GLU A 106 4.672 -10.683 -5.608 1.00 0.00 C ATOM 1044 O GLU A 106 5.430 -11.402 -4.955 1.00 0.00 O ATOM 1045 CB GLU A 106 2.428 -11.423 -6.431 1.00 0.00 C ATOM 1046 CG GLU A 106 1.509 -11.552 -7.633 1.00 0.00 C ATOM 1047 CD GLU A 106 2.133 -12.352 -8.761 1.00 0.00 C ATOM 1048 OE1 GLU A 106 3.124 -11.873 -9.351 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.629 -13.457 -9.053 1.00 0.00 O ATOM 0 H GLU A 106 3.787 -13.223 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 106 3.974 -10.523 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.328 -12.314 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.105 -10.576 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.579 -12.030 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.251 -10.557 -7.997 1.00 0.00 H new ATOM 1056 N LYS A 107 4.474 -9.400 -5.327 1.00 0.00 N ATOM 1057 CA LYS A 107 5.149 -8.747 -4.211 1.00 0.00 C ATOM 1058 C LYS A 107 4.166 -8.438 -3.086 1.00 0.00 C ATOM 1059 O LYS A 107 3.724 -7.300 -2.929 1.00 0.00 O ATOM 1060 CB LYS A 107 5.824 -7.456 -4.681 1.00 0.00 C ATOM 1061 CG LYS A 107 6.960 -7.687 -5.662 1.00 0.00 C ATOM 1062 CD LYS A 107 8.221 -8.156 -4.955 1.00 0.00 C ATOM 1063 CE LYS A 107 9.434 -8.079 -5.869 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.567 -8.900 -5.358 1.00 0.00 N ATOM 0 H LYS A 107 3.851 -8.791 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 107 5.909 -9.429 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.077 -6.814 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.208 -6.920 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.659 -8.430 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.167 -6.764 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.392 -7.544 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.087 -9.182 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.159 -8.421 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.752 -7.041 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.374 -8.821 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.847 -8.558 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.272 -9.895 -5.291 1.00 0.00 H new ATOM 1078 N VAL A 108 3.829 -9.459 -2.304 1.00 0.00 N ATOM 1079 CA VAL A 108 2.901 -9.296 -1.192 1.00 0.00 C ATOM 1080 C VAL A 108 3.553 -8.543 -0.038 1.00 0.00 C ATOM 1081 O VAL A 108 4.566 -8.981 0.508 1.00 0.00 O ATOM 1082 CB VAL A 108 2.393 -10.657 -0.680 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.243 -10.466 0.297 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.971 -11.540 -1.845 1.00 0.00 C ATOM 0 H VAL A 108 4.185 -10.408 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 108 2.056 -8.719 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 108 3.207 -11.153 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.898 -11.439 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.582 -9.874 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.424 -9.949 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.615 -12.498 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.172 -11.050 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.824 -11.705 -2.504 1.00 0.00 H new ATOM 1094 N ILE A 109 2.965 -7.409 0.329 1.00 0.00 N ATOM 1095 CA ILE A 109 3.488 -6.596 1.420 1.00 0.00 C ATOM 1096 C ILE A 109 2.452 -6.429 2.526 1.00 0.00 C ATOM 1097 O ILE A 109 1.253 -6.348 2.261 1.00 0.00 O ATOM 1098 CB ILE A 109 3.923 -5.204 0.925 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.711 -5.326 -0.381 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.754 -4.501 1.988 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.802 -6.373 -0.332 1.00 0.00 C ATOM 0 H ILE A 109 2.126 -7.033 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 109 4.358 -7.120 1.816 1.00 0.00 H new ATOM 0 HB ILE A 109 3.031 -4.607 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.022 -5.568 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.156 -4.360 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.054 -3.518 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.162 -4.386 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.642 -5.094 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.319 -6.405 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.513 -6.121 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.361 -7.348 -0.125 1.00 0.00 H new ATOM 1113 N ARG A 110 2.924 -6.376 3.768 1.00 0.00 N ATOM 1114 CA ARG A 110 2.039 -6.218 4.915 1.00 0.00 C ATOM 1115 C ARG A 110 1.468 -4.804 4.970 1.00 0.00 C ATOM 1116 O ARG A 110 2.070 -3.845 4.486 1.00 0.00 O ATOM 1117 CB ARG A 110 2.790 -6.527 6.212 1.00 0.00 C ATOM 1118 CG ARG A 110 2.824 -8.006 6.558 1.00 0.00 C ATOM 1119 CD ARG A 110 3.840 -8.299 7.651 1.00 0.00 C ATOM 1120 NE ARG A 110 3.840 -9.709 8.034 1.00 0.00 N ATOM 1121 CZ ARG A 110 2.926 -10.254 8.829 1.00 0.00 C ATOM 1122 NH1 ARG A 110 1.943 -9.513 9.321 1.00 0.00 N ATOM 1123 NH2 ARG A 110 2.994 -11.544 9.132 1.00 0.00 N ATOM 0 H ARG A 110 3.914 -6.440 4.005 1.00 0.00 H new ATOM 0 HA ARG A 110 1.213 -6.921 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.812 -6.159 6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.322 -5.981 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.835 -8.327 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.070 -8.584 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.835 -8.017 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.620 -7.686 8.525 1.00 0.00 H new ATOM 0 HE ARG A 110 4.582 -10.307 7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.887 -8.521 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.243 -9.935 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.748 -12.117 8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.292 -11.962 9.743 1.00 0.00 H new ATOM 1137 N PRO A 111 0.278 -4.669 5.574 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.401 -3.376 5.707 1.00 0.00 C ATOM 1139 C PRO A 111 0.311 -2.446 6.684 1.00 0.00 C ATOM 1140 O PRO A 111 -0.125 -1.317 6.908 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.784 -3.755 6.241 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.578 -5.055 6.938 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.497 -5.768 6.175 1.00 0.00 C ATOM 0 HA PRO A 111 -0.428 -2.831 4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.166 -2.996 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.508 -3.850 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.285 -4.899 7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.497 -5.641 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.119 -6.383 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.912 -6.430 5.415 1.00 0.00 H new ATOM 1151 N GLU A 112 1.407 -2.928 7.262 1.00 0.00 N ATOM 1152 CA GLU A 112 2.177 -2.138 8.215 1.00 0.00 C ATOM 1153 C GLU A 112 3.234 -1.302 7.500 1.00 0.00 C ATOM 1154 O GLU A 112 3.679 -0.274 8.012 1.00 0.00 O ATOM 1155 CB GLU A 112 2.844 -3.050 9.246 1.00 0.00 C ATOM 1156 CG GLU A 112 1.977 -3.332 10.461 1.00 0.00 C ATOM 1157 CD GLU A 112 2.651 -4.254 11.459 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.811 -3.977 11.831 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.021 -5.251 11.866 1.00 0.00 O ATOM 0 H GLU A 112 1.781 -3.861 7.087 1.00 0.00 H new ATOM 0 HA GLU A 112 1.491 -1.464 8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.104 -3.995 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.777 -2.592 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.729 -2.391 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.038 -3.779 10.136 1.00 0.00 H new ATOM 1166 N TRP A 113 3.632 -1.750 6.314 1.00 0.00 N ATOM 1167 CA TRP A 113 4.637 -1.044 5.528 1.00 0.00 C ATOM 1168 C TRP A 113 4.161 0.359 5.169 1.00 0.00 C ATOM 1169 O TRP A 113 4.957 1.296 5.101 1.00 0.00 O ATOM 1170 CB TRP A 113 4.962 -1.827 4.256 1.00 0.00 C ATOM 1171 CG TRP A 113 5.680 -1.012 3.223 1.00 0.00 C ATOM 1172 CD1 TRP A 113 6.882 -0.381 3.368 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.239 -0.739 1.888 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.215 0.269 2.203 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.224 0.063 1.280 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.109 -1.096 1.147 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.111 0.514 -0.032 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 3.998 -0.648 -0.155 1.00 0.00 C ATOM 1179 CH2 TRP A 113 4.994 0.149 -0.735 1.00 0.00 C ATOM 0 H TRP A 113 3.274 -2.599 5.876 1.00 0.00 H new ATOM 0 HA TRP A 113 5.540 -0.957 6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.574 -2.691 4.516 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.036 -2.210 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.483 -0.391 4.265 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.062 0.816 2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.337 -1.711 1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 6.877 1.130 -0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.128 -0.917 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 113 4.878 0.482 -1.756 1.00 0.00 H new ATOM 1190 N ILE A 114 2.860 0.497 4.940 1.00 0.00 N ATOM 1191 CA ILE A 114 2.279 1.787 4.589 1.00 0.00 C ATOM 1192 C ILE A 114 2.009 2.625 5.834 1.00 0.00 C ATOM 1193 O ILE A 114 2.438 3.776 5.925 1.00 0.00 O ATOM 1194 CB ILE A 114 0.965 1.617 3.803 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.228 0.909 2.473 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.310 2.970 3.568 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.023 0.673 1.656 1.00 0.00 C ATOM 0 H ILE A 114 2.188 -0.269 4.991 1.00 0.00 H new ATOM 0 HA ILE A 114 3.006 2.300 3.959 1.00 0.00 H new ATOM 0 HB ILE A 114 0.284 1.002 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.928 1.504 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.710 -0.049 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.617 2.834 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.092 3.440 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.985 3.607 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.239 0.167 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.717 0.053 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.495 1.629 1.428 1.00 0.00 H new ATOM 1209 N VAL A 115 1.297 2.040 6.792 1.00 0.00 N ATOM 1210 CA VAL A 115 0.972 2.732 8.033 1.00 0.00 C ATOM 1211 C VAL A 115 2.203 3.412 8.622 1.00 0.00 C ATOM 1212 O VAL A 115 2.221 4.627 8.813 1.00 0.00 O ATOM 1213 CB VAL A 115 0.385 1.764 9.078 1.00 0.00 C ATOM 1214 CG1 VAL A 115 0.170 2.477 10.404 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.915 1.159 8.571 1.00 0.00 C ATOM 0 H VAL A 115 0.934 1.089 6.732 1.00 0.00 H new ATOM 0 HA VAL A 115 0.225 3.487 7.788 1.00 0.00 H new ATOM 0 HB VAL A 115 1.097 0.955 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.245 1.778 11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.123 2.858 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.522 3.307 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.316 0.478 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.636 1.954 8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.726 0.611 7.648 1.00 0.00 H new ATOM 1225 N GLU A 116 3.232 2.619 8.906 1.00 0.00 N ATOM 1226 CA GLU A 116 4.467 3.145 9.473 1.00 0.00 C ATOM 1227 C GLU A 116 5.040 4.255 8.595 1.00 0.00 C ATOM 1228 O GLU A 116 5.365 5.339 9.080 1.00 0.00 O ATOM 1229 CB GLU A 116 5.498 2.026 9.635 1.00 0.00 C ATOM 1230 CG GLU A 116 5.159 1.043 10.744 1.00 0.00 C ATOM 1231 CD GLU A 116 5.375 1.626 12.127 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.844 2.723 12.398 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.076 0.985 12.938 1.00 0.00 O ATOM 0 H GLU A 116 3.234 1.611 8.752 1.00 0.00 H new ATOM 0 HA GLU A 116 4.237 3.562 10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.584 1.483 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.473 2.468 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.119 0.732 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.772 0.148 10.631 1.00 0.00 H new ATOM 1240 N SER A 117 5.161 3.975 7.302 1.00 0.00 N ATOM 1241 CA SER A 117 5.698 4.946 6.356 1.00 0.00 C ATOM 1242 C SER A 117 4.938 6.266 6.444 1.00 0.00 C ATOM 1243 O SER A 117 5.516 7.340 6.270 1.00 0.00 O ATOM 1244 CB SER A 117 5.625 4.396 4.930 1.00 0.00 C ATOM 1245 OG SER A 117 6.684 3.489 4.679 1.00 0.00 O ATOM 0 H SER A 117 4.894 3.083 6.885 1.00 0.00 H new ATOM 0 HA SER A 117 6.741 5.129 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.669 3.895 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.670 5.219 4.217 1.00 0.00 H new ATOM 0 HG SER A 117 6.354 2.570 4.763 1.00 0.00 H new ATOM 1251 N ILE A 118 3.640 6.178 6.714 1.00 0.00 N ATOM 1252 CA ILE A 118 2.801 7.365 6.825 1.00 0.00 C ATOM 1253 C ILE A 118 3.115 8.142 8.099 1.00 0.00 C ATOM 1254 O ILE A 118 3.409 9.337 8.055 1.00 0.00 O ATOM 1255 CB ILE A 118 1.305 6.999 6.816 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.915 6.392 5.467 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.458 8.227 7.115 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.316 5.516 5.532 1.00 0.00 C ATOM 0 H ILE A 118 3.147 5.297 6.860 1.00 0.00 H new ATOM 0 HA ILE A 118 3.019 7.989 5.958 1.00 0.00 H new ATOM 0 HB ILE A 118 1.122 6.257 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.741 7.196 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.750 5.803 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.597 7.953 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.721 8.620 8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.642 8.989 6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.533 5.120 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.139 4.691 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.164 6.105 5.881 1.00 0.00 H new ATOM 1270 N LYS A 119 3.052 7.456 9.235 1.00 0.00 N ATOM 1271 CA LYS A 119 3.332 8.079 10.523 1.00 0.00 C ATOM 1272 C LYS A 119 4.735 8.678 10.544 1.00 0.00 C ATOM 1273 O LYS A 119 4.945 9.772 11.068 1.00 0.00 O ATOM 1274 CB LYS A 119 3.187 7.055 11.651 1.00 0.00 C ATOM 1275 CG LYS A 119 1.787 6.477 11.771 1.00 0.00 C ATOM 1276 CD LYS A 119 1.814 5.063 12.327 1.00 0.00 C ATOM 1277 CE LYS A 119 1.994 5.062 13.838 1.00 0.00 C ATOM 1278 NZ LYS A 119 0.731 5.403 14.548 1.00 0.00 N ATOM 0 H LYS A 119 2.809 6.467 9.290 1.00 0.00 H new ATOM 0 HA LYS A 119 2.610 8.882 10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.894 6.242 11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.459 7.526 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.184 7.113 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.308 6.475 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.886 4.552 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.626 4.503 11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.339 4.080 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.769 5.778 14.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.873 5.309 15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.460 6.382 14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.024 4.757 14.243 1.00 0.00 H new ATOM 1292 N ALA A 120 5.691 7.955 9.970 1.00 0.00 N ATOM 1293 CA ALA A 120 7.072 8.418 9.919 1.00 0.00 C ATOM 1294 C ALA A 120 7.224 9.592 8.958 1.00 0.00 C ATOM 1295 O ALA A 120 8.094 10.443 9.135 1.00 0.00 O ATOM 1296 CB ALA A 120 7.995 7.278 9.513 1.00 0.00 C ATOM 0 H ALA A 120 5.534 7.046 9.534 1.00 0.00 H new ATOM 0 HA ALA A 120 7.351 8.761 10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.024 7.637 9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.917 6.470 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.706 6.909 8.529 1.00 0.00 H new ATOM 1302 N GLY A 121 6.370 9.631 7.940 1.00 0.00 N ATOM 1303 CA GLY A 121 6.426 10.705 6.965 1.00 0.00 C ATOM 1304 C GLY A 121 7.462 10.456 5.888 1.00 0.00 C ATOM 1305 O GLY A 121 8.032 11.398 5.335 1.00 0.00 O ATOM 0 H GLY A 121 5.640 8.938 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.446 10.823 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.653 11.642 7.474 1.00 0.00 H new ATOM 1309 N ARG A 122 7.709 9.185 5.589 1.00 0.00 N ATOM 1310 CA ARG A 122 8.686 8.815 4.572 1.00 0.00 C ATOM 1311 C ARG A 122 8.559 7.339 4.207 1.00 0.00 C ATOM 1312 O ARG A 122 8.260 6.501 5.060 1.00 0.00 O ATOM 1313 CB ARG A 122 10.104 9.109 5.066 1.00 0.00 C ATOM 1314 CG ARG A 122 10.619 8.097 6.076 1.00 0.00 C ATOM 1315 CD ARG A 122 12.069 8.369 6.447 1.00 0.00 C ATOM 1316 NE ARG A 122 12.474 7.636 7.644 1.00 0.00 N ATOM 1317 CZ ARG A 122 12.216 8.048 8.880 1.00 0.00 C ATOM 1318 NH1 ARG A 122 11.557 9.181 9.081 1.00 0.00 N ATOM 1319 NH2 ARG A 122 12.618 7.327 9.918 1.00 0.00 N ATOM 0 H ARG A 122 7.246 8.394 6.037 1.00 0.00 H new ATOM 0 HA ARG A 122 8.488 9.410 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.780 9.133 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.124 10.102 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.001 8.129 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.530 7.092 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.715 8.089 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.207 9.438 6.612 1.00 0.00 H new ATOM 0 HE ARG A 122 12.983 6.760 7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.247 9.739 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.360 9.495 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.126 6.455 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.419 7.644 10.867 1.00 0.00 H new ATOM 1333 N LEU A 123 8.787 7.027 2.936 1.00 0.00 N ATOM 1334 CA LEU A 123 8.698 5.652 2.458 1.00 0.00 C ATOM 1335 C LEU A 123 9.715 4.762 3.166 1.00 0.00 C ATOM 1336 O LEU A 123 10.896 5.098 3.252 1.00 0.00 O ATOM 1337 CB LEU A 123 8.924 5.601 0.946 1.00 0.00 C ATOM 1338 CG LEU A 123 8.296 4.416 0.212 1.00 0.00 C ATOM 1339 CD1 LEU A 123 8.723 3.104 0.853 1.00 0.00 C ATOM 1340 CD2 LEU A 123 6.779 4.538 0.203 1.00 0.00 C ATOM 0 H LEU A 123 9.035 7.708 2.218 1.00 0.00 H new ATOM 0 HA LEU A 123 7.698 5.280 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.534 6.521 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.998 5.590 0.760 1.00 0.00 H new ATOM 0 HG LEU A 123 8.648 4.424 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 123 8.266 2.272 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.808 3.013 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.401 3.086 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.349 3.686 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.409 4.555 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.491 5.460 -0.302 1.00 0.00 H new ATOM 1352 N LEU A 124 9.248 3.625 3.670 1.00 0.00 N ATOM 1353 CA LEU A 124 10.117 2.684 4.369 1.00 0.00 C ATOM 1354 C LEU A 124 10.400 1.460 3.505 1.00 0.00 C ATOM 1355 O LEU A 124 9.766 1.258 2.469 1.00 0.00 O ATOM 1356 CB LEU A 124 9.477 2.253 5.690 1.00 0.00 C ATOM 1357 CG LEU A 124 9.156 3.375 6.677 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.028 2.960 7.609 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.396 3.755 7.474 1.00 0.00 C ATOM 0 H LEU A 124 8.273 3.332 3.608 1.00 0.00 H new ATOM 0 HA LEU A 124 11.062 3.186 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.554 1.718 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.145 1.545 6.180 1.00 0.00 H new ATOM 0 HG LEU A 124 8.830 4.248 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.814 3.771 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.136 2.738 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.325 2.073 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.149 4.555 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.752 2.887 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.176 4.095 6.793 1.00 0.00 H new ATOM 1371 N SER A 125 11.356 0.644 3.939 1.00 0.00 N ATOM 1372 CA SER A 125 11.725 -0.561 3.204 1.00 0.00 C ATOM 1373 C SER A 125 10.657 -1.639 3.357 1.00 0.00 C ATOM 1374 O SER A 125 10.138 -1.864 4.451 1.00 0.00 O ATOM 1375 CB SER A 125 13.074 -1.090 3.695 1.00 0.00 C ATOM 1376 OG SER A 125 14.140 -0.287 3.219 1.00 0.00 O ATOM 0 H SER A 125 11.889 0.795 4.796 1.00 0.00 H new ATOM 0 HA SER A 125 11.807 -0.302 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.086 -1.108 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.210 -2.118 3.358 1.00 0.00 H new ATOM 0 HG SER A 125 14.991 -0.645 3.548 1.00 0.00 H new ATOM 1382 N TYR A 126 10.332 -2.303 2.253 1.00 0.00 N ATOM 1383 CA TYR A 126 9.324 -3.356 2.263 1.00 0.00 C ATOM 1384 C TYR A 126 9.969 -4.726 2.450 1.00 0.00 C ATOM 1385 O TYR A 126 9.322 -5.673 2.897 1.00 0.00 O ATOM 1386 CB TYR A 126 8.519 -3.332 0.963 1.00 0.00 C ATOM 1387 CG TYR A 126 9.309 -3.777 -0.247 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.510 -5.126 -0.512 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.855 -2.849 -1.125 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.232 -5.538 -1.615 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.577 -3.252 -2.232 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.763 -4.597 -2.473 1.00 0.00 C ATOM 1393 OH TYR A 126 11.483 -5.002 -3.573 1.00 0.00 O ATOM 0 H TYR A 126 10.752 -2.130 1.340 1.00 0.00 H new ATOM 0 HA TYR A 126 8.652 -3.173 3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.647 -3.976 1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.149 -2.321 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.094 -5.866 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.713 -1.795 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.380 -6.591 -1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.994 -2.517 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 126 11.786 -4.216 -4.073 1.00 0.00 H new ATOM 1403 N ILE A 127 11.249 -4.822 2.104 1.00 0.00 N ATOM 1404 CA ILE A 127 11.983 -6.074 2.235 1.00 0.00 C ATOM 1405 C ILE A 127 11.506 -6.867 3.447 1.00 0.00 C ATOM 1406 O ILE A 127 11.067 -8.012 3.338 1.00 0.00 O ATOM 1407 CB ILE A 127 13.498 -5.828 2.360 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.151 -5.820 0.976 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.135 -6.888 3.246 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.105 -7.162 0.279 1.00 0.00 C ATOM 0 H ILE A 127 11.798 -4.048 1.731 1.00 0.00 H new ATOM 0 HA ILE A 127 11.790 -6.649 1.329 1.00 0.00 H new ATOM 0 HB ILE A 127 13.656 -4.853 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.652 -5.078 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.190 -5.506 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.206 -6.701 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.686 -6.850 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.970 -7.873 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.586 -7.082 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.629 -7.903 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.067 -7.469 0.148 1.00 0.00 H new ATOM 1422 N PRO A 128 11.592 -6.245 4.632 1.00 0.00 N ATOM 1423 CA PRO A 128 11.172 -6.872 5.888 1.00 0.00 C ATOM 1424 C PRO A 128 9.658 -7.039 5.975 1.00 0.00 C ATOM 1425 O PRO A 128 9.162 -7.973 6.605 1.00 0.00 O ATOM 1426 CB PRO A 128 11.664 -5.893 6.956 1.00 0.00 C ATOM 1427 CG PRO A 128 11.732 -4.577 6.261 1.00 0.00 C ATOM 1428 CD PRO A 128 12.106 -4.880 4.837 1.00 0.00 C ATOM 0 HA PRO A 128 11.576 -7.879 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.981 -5.857 7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.640 -6.187 7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.774 -4.059 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.471 -3.926 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.653 -4.172 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.184 -4.830 4.685 1.00 0.00 H new ATOM 1436 N TYR A 129 8.930 -6.129 5.339 1.00 0.00 N ATOM 1437 CA TYR A 129 7.473 -6.174 5.346 1.00 0.00 C ATOM 1438 C TYR A 129 6.948 -7.017 4.187 1.00 0.00 C ATOM 1439 O TYR A 129 5.766 -6.961 3.852 1.00 0.00 O ATOM 1440 CB TYR A 129 6.897 -4.759 5.264 1.00 0.00 C ATOM 1441 CG TYR A 129 7.119 -3.942 6.516 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.612 -4.359 7.741 1.00 0.00 C ATOM 1443 CD2 TYR A 129 7.837 -2.753 6.475 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.811 -3.614 8.887 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.042 -2.003 7.617 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.527 -2.437 8.820 1.00 0.00 C ATOM 1447 OH TYR A 129 7.729 -1.694 9.960 1.00 0.00 O ATOM 0 H TYR A 129 9.325 -5.350 4.812 1.00 0.00 H new ATOM 0 HA TYR A 129 7.154 -6.635 6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.347 -4.241 4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.827 -4.822 5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.053 -5.281 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.242 -2.409 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.408 -3.951 9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.603 -1.081 7.568 1.00 0.00 H new ATOM 0 HH TYR A 129 8.253 -0.895 9.741 1.00 0.00 H new ATOM 1457 N GLN A 130 7.838 -7.797 3.581 1.00 0.00 N ATOM 1458 CA GLN A 130 7.465 -8.651 2.460 1.00 0.00 C ATOM 1459 C GLN A 130 6.858 -9.961 2.952 1.00 0.00 C ATOM 1460 O GLN A 130 7.156 -10.420 4.056 1.00 0.00 O ATOM 1461 CB GLN A 130 8.685 -8.939 1.583 1.00 0.00 C ATOM 1462 CG GLN A 130 8.344 -9.158 0.118 1.00 0.00 C ATOM 1463 CD GLN A 130 9.488 -9.773 -0.662 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.704 -9.621 -0.149 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.283 -10.378 -1.715 1.00 0.00 N flip ATOM 0 H GLN A 130 8.821 -7.855 3.847 1.00 0.00 H new ATOM 0 HA GLN A 130 6.717 -8.124 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.385 -8.107 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.196 -9.823 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.470 -9.806 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.072 -8.204 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.332 -10.471 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.064 -10.786 -2.229 1.00 0.00 H new ATOM 1474 N LEU A 131 6.005 -10.558 2.128 1.00 0.00 N ATOM 1475 CA LEU A 131 5.354 -11.816 2.479 1.00 0.00 C ATOM 1476 C LEU A 131 5.529 -12.848 1.370 1.00 0.00 C ATOM 1477 O LEU A 131 5.548 -12.506 0.187 1.00 0.00 O ATOM 1478 CB LEU A 131 3.866 -11.585 2.747 1.00 0.00 C ATOM 1479 CG LEU A 131 3.524 -10.818 4.024 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.129 -10.220 3.931 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.636 -11.729 5.239 1.00 0.00 C ATOM 0 H LEU A 131 5.747 -10.192 1.212 1.00 0.00 H new ATOM 0 HA LEU A 131 5.825 -12.200 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.444 -11.045 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.370 -12.555 2.786 1.00 0.00 H new ATOM 0 HG LEU A 131 4.239 -10.003 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.904 -9.678 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.083 -9.535 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.400 -11.018 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.389 -11.167 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.944 -12.565 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.655 -12.109 5.316 1.00 0.00 H new ATOM 1493 N TYR A 132 5.655 -14.111 1.759 1.00 0.00 N ATOM 1494 CA TYR A 132 5.829 -15.194 0.798 1.00 0.00 C ATOM 1495 C TYR A 132 6.829 -14.804 -0.286 1.00 0.00 C ATOM 1496 O TYR A 132 6.583 -15.002 -1.476 1.00 0.00 O ATOM 1497 CB TYR A 132 4.487 -15.559 0.162 1.00 0.00 C ATOM 1498 CG TYR A 132 3.353 -15.663 1.157 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.443 -16.508 2.256 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.192 -14.916 0.997 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.409 -16.606 3.167 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.154 -15.008 1.904 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.267 -15.854 2.987 1.00 0.00 C ATOM 1504 OH TYR A 132 0.235 -15.948 3.892 1.00 0.00 O ATOM 0 H TYR A 132 5.640 -14.411 2.734 1.00 0.00 H new ATOM 0 HA TYR A 132 6.219 -16.061 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.234 -14.809 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.589 -16.510 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.336 -17.098 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.100 -14.253 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.495 -17.268 4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.259 -14.420 1.766 1.00 0.00 H new ATOM 0 HH TYR A 132 0.441 -15.404 4.681 1.00 0.00 H new