USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 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 Single : A 8 CYS SG : rot 160:sc= -0.504 USER MOD Single : A 9 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.5!) USER MOD Single : A 14 ASN : amide:sc= -0.0927 X(o=-0.093,f=-0.47) USER MOD Single : A 15 SER OG : rot 41:sc= 0.0393 USER MOD Single : A 18 MET CE :methyl 161:sc= -1.23 (180deg=-1.88!) USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.4!) USER MOD Single : A 28 SER OG : rot 28:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.583 USER MOD Single : A 40 THR OG1 : rot 71:sc= 0.0335 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -141:sc= 0.795 USER MOD Single : A 47 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= 0.583 F(o=0,f=0.58) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.54) USER MOD Single : A 69 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.051) USER MOD Single : A 70 TYR OH : rot 97:sc= 0.834 USER MOD Single : A 73 ASN : amide:sc= -3.06! C(o=-3.1!,f=-10!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 78 CYS SG : rot 51:sc= -1.81! USER MOD Single : A 83 GLN : amide:sc= -0.833 K(o=-0.83,f=-2.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -4.93! C(o=-4.9!,f=-8.4!) USER MOD Single : A 114 CYS SG : rot 15:sc= -0.785 USER MOD Single : A 115 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-5.3!) USER MOD Single : A 124 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -152:sc= -0.191 (180deg=-0.841) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -5.126 -5.444 -16.726 1.00 0.00 N ATOM 55 CA GLY A 5 -6.053 -4.434 -17.276 1.00 0.00 C ATOM 56 C GLY A 5 -6.601 -3.491 -16.193 1.00 0.00 C ATOM 57 O GLY A 5 -7.574 -2.777 -16.416 1.00 0.00 O ATOM 0 HA2 GLY A 5 -5.538 -3.848 -18.037 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.884 -4.938 -17.770 1.00 0.00 H new ATOM 61 N ALA A 6 -5.934 -3.481 -15.042 1.00 0.00 N ATOM 62 CA ALA A 6 -6.276 -2.609 -13.909 1.00 0.00 C ATOM 63 C ALA A 6 -5.260 -1.466 -13.800 1.00 0.00 C ATOM 64 O ALA A 6 -4.181 -1.533 -14.385 1.00 0.00 O ATOM 65 CB ALA A 6 -6.274 -3.457 -12.644 1.00 0.00 C ATOM 0 H ALA A 6 -5.131 -4.083 -14.862 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.261 -2.165 -14.053 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.525 -2.832 -11.787 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.010 -4.255 -12.740 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.285 -3.891 -12.499 1.00 0.00 H new ATOM 71 N ALA A 7 -5.666 -0.422 -13.078 1.00 0.00 N ATOM 72 CA ALA A 7 -4.920 0.842 -12.884 1.00 0.00 C ATOM 73 C ALA A 7 -5.778 1.832 -12.087 1.00 0.00 C ATOM 74 O ALA A 7 -6.818 2.298 -12.547 1.00 0.00 O ATOM 75 CB ALA A 7 -4.501 1.518 -14.199 1.00 0.00 C ATOM 0 H ALA A 7 -6.560 -0.424 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.010 0.575 -12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.959 2.438 -13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.858 0.845 -14.765 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.389 1.752 -14.787 1.00 0.00 H new ATOM 81 N CYS A 8 -5.443 1.945 -10.811 1.00 0.00 N ATOM 82 CA CYS A 8 -6.105 2.913 -9.913 1.00 0.00 C ATOM 83 C CYS A 8 -5.123 3.972 -9.404 1.00 0.00 C ATOM 84 O CYS A 8 -3.919 3.839 -9.599 1.00 0.00 O ATOM 85 CB CYS A 8 -6.798 2.175 -8.767 1.00 0.00 C ATOM 86 SG CYS A 8 -8.200 1.178 -9.389 1.00 0.00 S ATOM 0 H CYS A 8 -4.719 1.384 -10.363 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.867 3.448 -10.480 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.082 1.528 -8.260 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.156 2.894 -8.030 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.497 0.258 -8.520 1.00 0.00 H new ATOM 92 N ASN A 9 -5.661 5.060 -8.873 1.00 0.00 N ATOM 93 CA ASN A 9 -4.829 6.170 -8.380 1.00 0.00 C ATOM 94 C ASN A 9 -4.722 6.123 -6.856 1.00 0.00 C ATOM 95 O ASN A 9 -5.733 6.013 -6.155 1.00 0.00 O ATOM 96 CB ASN A 9 -5.438 7.504 -8.805 1.00 0.00 C ATOM 97 CG ASN A 9 -4.376 8.439 -9.380 1.00 0.00 C ATOM 98 OD1 ASN A 9 -3.174 8.228 -9.292 1.00 0.00 O ATOM 99 ND2 ASN A 9 -4.837 9.488 -10.015 1.00 0.00 N ATOM 0 H ASN A 9 -6.665 5.207 -8.769 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.832 6.071 -8.808 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.215 7.331 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.917 7.977 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.190 10.147 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.843 9.645 -10.077 1.00 0.00 H new ATOM 106 N VAL A 10 -3.476 6.087 -6.394 1.00 0.00 N ATOM 107 CA VAL A 10 -3.161 5.985 -4.954 1.00 0.00 C ATOM 108 C VAL A 10 -1.986 6.924 -4.608 1.00 0.00 C ATOM 109 O VAL A 10 -1.091 7.140 -5.424 1.00 0.00 O ATOM 110 CB VAL A 10 -2.931 4.519 -4.482 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.817 3.472 -5.171 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.480 4.044 -4.515 1.00 0.00 C ATOM 0 H VAL A 10 -2.653 6.127 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.034 6.316 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.235 4.589 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.585 2.483 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.866 3.701 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.631 3.488 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.427 3.012 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.101 4.104 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.875 4.677 -3.865 1.00 0.00 H new ATOM 122 N LEU A 11 -2.026 7.502 -3.414 1.00 0.00 N ATOM 123 CA LEU A 11 -0.915 8.327 -2.904 1.00 0.00 C ATOM 124 C LEU A 11 0.147 7.449 -2.245 1.00 0.00 C ATOM 125 O LEU A 11 -0.145 6.699 -1.311 1.00 0.00 O ATOM 126 CB LEU A 11 -1.370 9.397 -1.905 1.00 0.00 C ATOM 127 CG LEU A 11 -1.809 10.710 -2.561 1.00 0.00 C ATOM 128 CD1 LEU A 11 -2.461 11.604 -1.511 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.636 11.474 -3.173 1.00 0.00 C ATOM 0 H LEU A 11 -2.814 7.420 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.498 8.840 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.197 9.002 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.555 9.603 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.507 10.455 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.775 12.540 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.330 11.098 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.745 11.815 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.999 12.397 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.089 11.712 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.160 10.859 -3.936 1.00 0.00 H new ATOM 141 N PHE A 12 1.340 7.535 -2.820 1.00 0.00 N ATOM 142 CA PHE A 12 2.546 6.842 -2.336 1.00 0.00 C ATOM 143 C PHE A 12 2.966 7.453 -0.999 1.00 0.00 C ATOM 144 O PHE A 12 3.316 8.632 -0.940 1.00 0.00 O ATOM 145 CB PHE A 12 3.660 6.960 -3.385 1.00 0.00 C ATOM 146 CG PHE A 12 5.049 6.594 -2.856 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.481 5.273 -2.825 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.862 7.597 -2.330 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.720 4.965 -2.283 1.00 0.00 C ATOM 150 CE2 PHE A 12 7.093 7.284 -1.781 1.00 0.00 C ATOM 151 CZ PHE A 12 7.530 5.965 -1.759 1.00 0.00 C ATOM 0 H PHE A 12 1.509 8.098 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 12 2.343 5.782 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.421 6.313 -4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.683 7.982 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.854 4.489 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.529 8.624 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.058 3.939 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.715 8.065 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.493 5.719 -1.337 1.00 0.00 H new ATOM 161 N ILE A 13 2.700 6.689 0.052 1.00 0.00 N ATOM 162 CA ILE A 13 3.087 7.106 1.408 1.00 0.00 C ATOM 163 C ILE A 13 4.612 6.963 1.552 1.00 0.00 C ATOM 164 O ILE A 13 5.333 7.952 1.445 1.00 0.00 O ATOM 165 CB ILE A 13 2.219 6.359 2.443 1.00 0.00 C ATOM 166 CG1 ILE A 13 0.725 6.700 2.323 1.00 0.00 C ATOM 167 CG2 ILE A 13 2.681 6.548 3.884 1.00 0.00 C ATOM 168 CD1 ILE A 13 0.384 8.193 2.341 1.00 0.00 C ATOM 0 H ILE A 13 2.225 5.788 0.002 1.00 0.00 H new ATOM 0 HA ILE A 13 2.884 8.159 1.601 1.00 0.00 H new ATOM 0 HB ILE A 13 2.354 5.306 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.346 6.270 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.193 6.214 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.023 5.994 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.701 6.179 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.650 7.607 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.695 8.321 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.724 8.633 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.879 8.689 1.507 1.00 0.00 H new ATOM 180 N ASN A 14 5.046 5.723 1.776 1.00 0.00 N ATOM 181 CA ASN A 14 6.456 5.316 1.938 1.00 0.00 C ATOM 182 C ASN A 14 6.522 3.817 2.268 1.00 0.00 C ATOM 183 O ASN A 14 5.614 3.258 2.890 1.00 0.00 O ATOM 184 CB ASN A 14 7.090 6.121 3.081 1.00 0.00 C ATOM 185 CG ASN A 14 8.542 5.771 3.391 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.367 5.463 2.540 1.00 0.00 O ATOM 187 ND2 ASN A 14 8.837 5.788 4.665 1.00 0.00 N ATOM 0 H ASN A 14 4.403 4.935 1.854 1.00 0.00 H new ATOM 0 HA ASN A 14 6.999 5.507 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.033 7.181 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.496 5.972 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.777 5.540 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.127 6.049 5.349 1.00 0.00 H new ATOM 194 N SER A 15 7.629 3.215 1.849 1.00 0.00 N ATOM 195 CA SER A 15 7.966 1.815 2.157 1.00 0.00 C ATOM 196 C SER A 15 8.957 1.767 3.319 1.00 0.00 C ATOM 197 O SER A 15 10.015 2.395 3.326 1.00 0.00 O ATOM 198 CB SER A 15 8.570 1.086 0.955 1.00 0.00 C ATOM 199 OG SER A 15 9.678 1.803 0.408 1.00 0.00 O ATOM 0 H SER A 15 8.332 3.685 1.278 1.00 0.00 H new ATOM 0 HA SER A 15 7.038 1.310 2.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.894 0.090 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.807 0.954 0.188 1.00 0.00 H new ATOM 0 HG SER A 15 10.227 2.162 1.136 1.00 0.00 H new ATOM 205 N VAL A 16 8.528 1.053 4.344 1.00 0.00 N ATOM 206 CA VAL A 16 9.325 0.894 5.572 1.00 0.00 C ATOM 207 C VAL A 16 9.576 -0.589 5.852 1.00 0.00 C ATOM 208 O VAL A 16 8.653 -1.380 6.053 1.00 0.00 O ATOM 209 CB VAL A 16 8.729 1.652 6.773 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.685 3.154 6.504 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.321 1.194 7.123 1.00 0.00 C ATOM 0 H VAL A 16 7.631 0.568 4.361 1.00 0.00 H new ATOM 0 HA VAL A 16 10.295 1.363 5.408 1.00 0.00 H new ATOM 0 HB VAL A 16 9.386 1.431 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.260 3.666 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.696 3.521 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.068 3.349 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.955 1.764 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.663 1.356 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.335 0.133 7.374 1.00 0.00 H new ATOM 221 N GLU A 17 10.818 -0.983 5.598 1.00 0.00 N ATOM 222 CA GLU A 17 11.234 -2.380 5.812 1.00 0.00 C ATOM 223 C GLU A 17 11.027 -2.794 7.266 1.00 0.00 C ATOM 224 O GLU A 17 11.479 -2.124 8.191 1.00 0.00 O ATOM 225 CB GLU A 17 12.685 -2.653 5.418 1.00 0.00 C ATOM 226 CG GLU A 17 12.769 -2.847 3.907 1.00 0.00 C ATOM 227 CD GLU A 17 14.101 -3.432 3.449 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.193 -4.680 3.455 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.963 -2.620 3.055 1.00 0.00 O ATOM 0 H GLU A 17 11.554 -0.369 5.247 1.00 0.00 H new ATOM 0 HA GLU A 17 10.599 -2.975 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.320 -1.822 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.052 -3.542 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.961 -3.505 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.613 -1.887 3.415 1.00 0.00 H new ATOM 236 N MET A 18 10.251 -3.856 7.418 1.00 0.00 N ATOM 237 CA MET A 18 9.983 -4.394 8.760 1.00 0.00 C ATOM 238 C MET A 18 11.030 -5.393 9.250 1.00 0.00 C ATOM 239 O MET A 18 11.101 -5.669 10.444 1.00 0.00 O ATOM 240 CB MET A 18 8.598 -5.015 8.879 1.00 0.00 C ATOM 241 CG MET A 18 7.826 -4.304 9.988 1.00 0.00 C ATOM 242 SD MET A 18 8.633 -4.296 11.631 1.00 0.00 S ATOM 243 CE MET A 18 9.122 -2.586 11.685 1.00 0.00 C ATOM 0 H MET A 18 9.801 -4.359 6.653 1.00 0.00 H new ATOM 0 HA MET A 18 10.036 -3.518 9.407 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.064 -4.927 7.933 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.681 -6.079 9.101 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.654 -3.272 9.682 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.848 -4.775 10.085 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.322 -2.297 12.717 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.023 -2.446 11.088 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.321 -1.966 11.284 1.00 0.00 H new ATOM 253 N GLU A 19 11.687 -6.024 8.273 1.00 0.00 N ATOM 254 CA GLU A 19 12.734 -7.056 8.448 1.00 0.00 C ATOM 255 C GLU A 19 12.110 -8.413 8.830 1.00 0.00 C ATOM 256 O GLU A 19 12.698 -9.225 9.538 1.00 0.00 O ATOM 257 CB GLU A 19 13.756 -6.552 9.479 1.00 0.00 C ATOM 258 CG GLU A 19 15.168 -7.120 9.357 1.00 0.00 C ATOM 259 CD GLU A 19 16.114 -6.200 10.133 1.00 0.00 C ATOM 260 OE1 GLU A 19 16.166 -5.002 9.767 1.00 0.00 O ATOM 261 OE2 GLU A 19 16.760 -6.699 11.079 1.00 0.00 O ATOM 0 H GLU A 19 11.501 -5.826 7.290 1.00 0.00 H new ATOM 0 HA GLU A 19 13.259 -7.226 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.815 -5.466 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.379 -6.780 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.208 -8.133 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.466 -7.179 8.310 1.00 0.00 H new ATOM 268 N SER A 20 10.923 -8.635 8.249 1.00 0.00 N ATOM 269 CA SER A 20 10.081 -9.848 8.366 1.00 0.00 C ATOM 270 C SER A 20 9.467 -9.938 9.772 1.00 0.00 C ATOM 271 O SER A 20 10.028 -10.501 10.706 1.00 0.00 O ATOM 272 CB SER A 20 10.924 -11.086 8.046 1.00 0.00 C ATOM 273 OG SER A 20 10.199 -12.223 7.594 1.00 0.00 O ATOM 0 H SER A 20 10.493 -7.933 7.646 1.00 0.00 H new ATOM 0 HA SER A 20 9.260 -9.793 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.656 -10.818 7.284 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.482 -11.365 8.940 1.00 0.00 H new ATOM 0 HG SER A 20 10.794 -13.001 7.568 1.00 0.00 H new ATOM 279 N LEU A 21 8.401 -9.156 9.929 1.00 0.00 N ATOM 280 CA LEU A 21 7.636 -9.119 11.186 1.00 0.00 C ATOM 281 C LEU A 21 6.677 -10.322 11.292 1.00 0.00 C ATOM 282 O LEU A 21 7.121 -11.441 11.512 1.00 0.00 O ATOM 283 CB LEU A 21 6.996 -7.726 11.335 1.00 0.00 C ATOM 284 CG LEU A 21 6.195 -7.486 12.624 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.976 -7.817 13.898 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.811 -6.014 12.674 1.00 0.00 C ATOM 0 H LEU A 21 8.042 -8.536 9.203 1.00 0.00 H new ATOM 0 HA LEU A 21 8.287 -9.244 12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.786 -6.977 11.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.336 -7.559 10.484 1.00 0.00 H new ATOM 0 HG LEU A 21 5.329 -8.147 12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.350 -7.624 14.769 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.265 -8.868 13.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.870 -7.195 13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.240 -5.817 13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.713 -5.402 12.673 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.204 -5.767 11.803 1.00 0.00 H new ATOM 298 N THR A 22 5.381 -10.080 11.105 1.00 0.00 N ATOM 299 CA THR A 22 4.339 -11.130 11.152 1.00 0.00 C ATOM 300 C THR A 22 3.282 -10.964 10.046 1.00 0.00 C ATOM 301 O THR A 22 3.117 -11.827 9.189 1.00 0.00 O ATOM 302 CB THR A 22 3.741 -11.248 12.573 1.00 0.00 C ATOM 303 OG1 THR A 22 2.784 -12.302 12.599 1.00 0.00 O ATOM 304 CG2 THR A 22 3.094 -9.969 13.120 1.00 0.00 C ATOM 0 H THR A 22 5.012 -9.148 10.915 1.00 0.00 H new ATOM 0 HA THR A 22 4.816 -12.086 10.935 1.00 0.00 H new ATOM 0 HB THR A 22 4.590 -11.452 13.226 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.406 -12.378 13.500 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.706 -10.157 14.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.839 -9.174 13.163 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.277 -9.666 12.465 1.00 0.00 H new ATOM 312 N GLY A 23 2.697 -9.759 10.006 1.00 0.00 N ATOM 313 CA GLY A 23 1.675 -9.388 9.011 1.00 0.00 C ATOM 314 C GLY A 23 0.774 -8.272 9.566 1.00 0.00 C ATOM 315 O GLY A 23 1.159 -7.105 9.423 1.00 0.00 O ATOM 0 H GLY A 23 2.918 -9.011 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.156 -9.054 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.072 -10.259 8.756 1.00 0.00 H new ATOM 319 N PRO A 24 -0.250 -8.624 10.367 1.00 0.00 N ATOM 320 CA PRO A 24 -1.183 -7.655 10.988 1.00 0.00 C ATOM 321 C PRO A 24 -0.590 -6.905 12.199 1.00 0.00 C ATOM 322 O PRO A 24 -1.156 -6.832 13.284 1.00 0.00 O ATOM 323 CB PRO A 24 -2.409 -8.503 11.337 1.00 0.00 C ATOM 324 CG PRO A 24 -1.803 -9.855 11.712 1.00 0.00 C ATOM 325 CD PRO A 24 -0.641 -10.005 10.731 1.00 0.00 C ATOM 0 HA PRO A 24 -1.426 -6.834 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.975 -8.072 12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.093 -8.589 10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.460 -9.869 12.747 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.526 -10.663 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.191 -10.541 11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.942 -10.573 9.850 1.00 0.00 H new ATOM 333 N GLN A 25 0.602 -6.368 11.973 1.00 0.00 N ATOM 334 CA GLN A 25 1.379 -5.580 12.949 1.00 0.00 C ATOM 335 C GLN A 25 2.252 -4.550 12.225 1.00 0.00 C ATOM 336 O GLN A 25 2.151 -3.359 12.503 1.00 0.00 O ATOM 337 CB GLN A 25 2.261 -6.513 13.785 1.00 0.00 C ATOM 338 CG GLN A 25 3.132 -5.791 14.822 1.00 0.00 C ATOM 339 CD GLN A 25 2.589 -5.788 16.247 1.00 0.00 C ATOM 340 OE1 GLN A 25 1.694 -6.529 16.628 1.00 0.00 O ATOM 341 NE2 GLN A 25 3.203 -4.984 17.081 1.00 0.00 N ATOM 0 H GLN A 25 1.080 -6.467 11.077 1.00 0.00 H new ATOM 0 HA GLN A 25 0.687 -5.054 13.607 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.624 -7.233 14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.907 -7.081 13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.118 -6.255 14.829 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.268 -4.758 14.501 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.947 -4.373 16.745 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.936 -4.970 18.065 1.00 0.00 H new ATOM 350 N ALA A 26 2.922 -4.994 11.163 1.00 0.00 N ATOM 351 CA ALA A 26 3.790 -4.125 10.361 1.00 0.00 C ATOM 352 C ALA A 26 3.005 -3.018 9.661 1.00 0.00 C ATOM 353 O ALA A 26 3.415 -1.881 9.765 1.00 0.00 O ATOM 354 CB ALA A 26 4.533 -4.970 9.346 1.00 0.00 C ATOM 0 H ALA A 26 2.881 -5.959 10.834 1.00 0.00 H new ATOM 0 HA ALA A 26 4.498 -3.636 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.181 -4.331 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.137 -5.714 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.816 -5.473 8.697 1.00 0.00 H new ATOM 360 N ILE A 27 1.744 -3.287 9.334 1.00 0.00 N ATOM 361 CA ILE A 27 0.823 -2.301 8.722 1.00 0.00 C ATOM 362 C ILE A 27 0.633 -1.080 9.656 1.00 0.00 C ATOM 363 O ILE A 27 0.700 0.069 9.227 1.00 0.00 O ATOM 364 CB ILE A 27 -0.511 -3.006 8.409 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.285 -4.288 7.587 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.436 -2.055 7.639 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.443 -5.290 7.680 1.00 0.00 C ATOM 0 H ILE A 27 1.317 -4.201 9.483 1.00 0.00 H new ATOM 0 HA ILE A 27 1.243 -1.918 7.792 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.976 -3.284 9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.133 -4.017 6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.631 -4.771 7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.377 -2.560 7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.631 -1.169 8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.958 -1.760 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.214 -6.168 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.582 -5.590 8.719 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.357 -4.825 7.311 1.00 0.00 H new ATOM 379 N SER A 28 0.621 -1.371 10.956 1.00 0.00 N ATOM 380 CA SER A 28 0.540 -0.374 12.040 1.00 0.00 C ATOM 381 C SER A 28 1.907 0.124 12.514 1.00 0.00 C ATOM 382 O SER A 28 2.111 1.325 12.506 1.00 0.00 O ATOM 383 CB SER A 28 -0.263 -0.864 13.248 1.00 0.00 C ATOM 384 OG SER A 28 0.049 -2.207 13.622 1.00 0.00 O ATOM 0 H SER A 28 0.668 -2.330 11.301 1.00 0.00 H new ATOM 0 HA SER A 28 0.011 0.463 11.586 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.073 -0.204 14.095 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.327 -0.794 13.022 1.00 0.00 H new ATOM 0 HG SER A 28 0.970 -2.415 13.358 1.00 0.00 H new ATOM 390 N LYS A 29 2.882 -0.768 12.686 1.00 0.00 N ATOM 391 CA LYS A 29 4.282 -0.415 13.008 1.00 0.00 C ATOM 392 C LYS A 29 4.922 0.462 11.909 1.00 0.00 C ATOM 393 O LYS A 29 5.902 1.147 12.166 1.00 0.00 O ATOM 394 CB LYS A 29 5.101 -1.698 13.216 1.00 0.00 C ATOM 395 CG LYS A 29 6.343 -1.456 14.086 1.00 0.00 C ATOM 396 CD LYS A 29 6.142 -2.043 15.486 1.00 0.00 C ATOM 397 CE LYS A 29 6.792 -1.200 16.588 1.00 0.00 C ATOM 398 NZ LYS A 29 8.189 -1.545 16.895 1.00 0.00 N ATOM 0 H LYS A 29 2.729 -1.773 12.606 1.00 0.00 H new ATOM 0 HA LYS A 29 4.281 0.171 13.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.473 -2.456 13.684 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.409 -2.092 12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.216 -1.910 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.540 -0.386 14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.074 -2.132 15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.557 -3.051 15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.749 -0.151 16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.201 -1.301 17.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.542 -0.923 17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.241 -2.535 17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.773 -1.421 16.043 1.00 0.00 H new ATOM 412 N ALA A 30 4.361 0.390 10.702 1.00 0.00 N ATOM 413 CA ALA A 30 4.680 1.199 9.513 1.00 0.00 C ATOM 414 C ALA A 30 3.924 2.528 9.519 1.00 0.00 C ATOM 415 O ALA A 30 4.543 3.579 9.558 1.00 0.00 O ATOM 416 CB ALA A 30 4.256 0.441 8.256 1.00 0.00 C ATOM 0 H ALA A 30 3.618 -0.282 10.510 1.00 0.00 H new ATOM 0 HA ALA A 30 5.753 1.390 9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.491 1.038 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.791 -0.507 8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.183 0.251 8.290 1.00 0.00 H new ATOM 422 N VAL A 31 2.625 2.458 9.791 1.00 0.00 N ATOM 423 CA VAL A 31 1.752 3.643 9.849 1.00 0.00 C ATOM 424 C VAL A 31 2.084 4.538 11.057 1.00 0.00 C ATOM 425 O VAL A 31 2.260 5.737 10.911 1.00 0.00 O ATOM 426 CB VAL A 31 0.294 3.163 9.741 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.677 3.626 10.826 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.253 3.661 8.417 1.00 0.00 C ATOM 0 H VAL A 31 2.140 1.581 9.979 1.00 0.00 H new ATOM 0 HA VAL A 31 1.926 4.311 9.006 1.00 0.00 H new ATOM 0 HB VAL A 31 0.350 2.080 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.667 3.215 10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.328 3.279 11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.729 4.715 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.288 3.338 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.208 4.750 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.343 3.254 7.601 1.00 0.00 H new ATOM 438 N ALA A 32 2.350 3.908 12.191 1.00 0.00 N ATOM 439 CA ALA A 32 2.723 4.568 13.455 1.00 0.00 C ATOM 440 C ALA A 32 4.130 5.182 13.390 1.00 0.00 C ATOM 441 O ALA A 32 4.388 6.196 14.033 1.00 0.00 O ATOM 442 CB ALA A 32 2.624 3.572 14.612 1.00 0.00 C ATOM 0 H ALA A 32 2.314 2.892 12.270 1.00 0.00 H new ATOM 0 HA ALA A 32 2.023 5.386 13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.901 4.067 15.543 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.601 3.203 14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.299 2.736 14.431 1.00 0.00 H new ATOM 448 N GLU A 33 4.951 4.656 12.481 1.00 0.00 N ATOM 449 CA GLU A 33 6.306 5.183 12.237 1.00 0.00 C ATOM 450 C GLU A 33 6.366 6.100 11.002 1.00 0.00 C ATOM 451 O GLU A 33 7.418 6.649 10.705 1.00 0.00 O ATOM 452 CB GLU A 33 7.325 4.033 12.164 1.00 0.00 C ATOM 453 CG GLU A 33 7.423 3.282 10.828 1.00 0.00 C ATOM 454 CD GLU A 33 8.636 3.728 10.015 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.692 3.083 10.190 1.00 0.00 O ATOM 456 OE2 GLU A 33 8.459 4.655 9.195 1.00 0.00 O ATOM 0 H GLU A 33 4.704 3.859 11.894 1.00 0.00 H new ATOM 0 HA GLU A 33 6.576 5.814 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.310 4.435 12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.080 3.311 12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.486 2.210 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.515 3.451 10.249 1.00 0.00 H new ATOM 463 N THR A 34 5.272 6.160 10.243 1.00 0.00 N ATOM 464 CA THR A 34 5.182 6.963 9.008 1.00 0.00 C ATOM 465 C THR A 34 4.247 8.173 9.153 1.00 0.00 C ATOM 466 O THR A 34 4.601 9.264 8.730 1.00 0.00 O ATOM 467 CB THR A 34 4.824 6.076 7.805 1.00 0.00 C ATOM 468 OG1 THR A 34 5.875 5.129 7.599 1.00 0.00 O ATOM 469 CG2 THR A 34 4.689 6.878 6.517 1.00 0.00 C ATOM 0 H THR A 34 4.415 5.653 10.463 1.00 0.00 H new ATOM 0 HA THR A 34 6.169 7.385 8.820 1.00 0.00 H new ATOM 0 HB THR A 34 3.871 5.598 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.737 4.355 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.435 6.208 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.902 7.623 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.633 7.378 6.299 1.00 0.00 H new ATOM 477 N LEU A 35 3.140 8.013 9.866 1.00 0.00 N ATOM 478 CA LEU A 35 2.225 9.126 10.195 1.00 0.00 C ATOM 479 C LEU A 35 2.874 10.137 11.152 1.00 0.00 C ATOM 480 O LEU A 35 2.493 11.303 11.194 1.00 0.00 O ATOM 481 CB LEU A 35 0.919 8.567 10.768 1.00 0.00 C ATOM 482 CG LEU A 35 -0.120 8.193 9.700 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.359 7.167 8.671 1.00 0.00 C ATOM 484 CD2 LEU A 35 -1.340 7.617 10.401 1.00 0.00 C ATOM 0 H LEU A 35 2.841 7.112 10.238 1.00 0.00 H new ATOM 0 HA LEU A 35 2.001 9.671 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.145 7.684 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.484 9.305 11.441 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.333 9.110 9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.441 6.966 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.226 7.561 8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.633 6.243 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.091 7.345 9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.050 6.731 10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.755 8.362 11.080 1.00 0.00 H new ATOM 496 N VAL A 36 3.861 9.639 11.895 1.00 0.00 N ATOM 497 CA VAL A 36 4.690 10.439 12.820 1.00 0.00 C ATOM 498 C VAL A 36 6.150 10.540 12.319 1.00 0.00 C ATOM 499 O VAL A 36 6.924 11.302 12.895 1.00 0.00 O ATOM 500 CB VAL A 36 4.610 9.863 14.255 1.00 0.00 C ATOM 501 CG1 VAL A 36 5.209 10.815 15.296 1.00 0.00 C ATOM 502 CG2 VAL A 36 3.175 9.545 14.699 1.00 0.00 C ATOM 0 H VAL A 36 4.118 8.652 11.877 1.00 0.00 H new ATOM 0 HA VAL A 36 4.294 11.454 12.848 1.00 0.00 H new ATOM 0 HB VAL A 36 5.188 8.940 14.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.130 10.367 16.287 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.258 10.996 15.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.666 11.760 15.280 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.188 9.145 15.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.577 10.456 14.676 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.740 8.808 14.024 1.00 0.00 H new ATOM 512 N ALA A 37 6.515 9.807 11.252 1.00 0.00 N ATOM 513 CA ALA A 37 7.857 9.854 10.625 1.00 0.00 C ATOM 514 C ALA A 37 8.338 11.305 10.520 1.00 0.00 C ATOM 515 O ALA A 37 7.603 12.170 10.065 1.00 0.00 O ATOM 516 CB ALA A 37 7.838 9.272 9.208 1.00 0.00 C ATOM 0 H ALA A 37 5.880 9.155 10.791 1.00 0.00 H new ATOM 0 HA ALA A 37 8.523 9.264 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.839 9.323 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.512 8.232 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.149 9.846 8.588 1.00 0.00 H new ATOM 522 N ASP A 38 9.336 11.590 11.347 1.00 0.00 N ATOM 523 CA ASP A 38 9.898 12.945 11.436 1.00 0.00 C ATOM 524 C ASP A 38 11.354 12.910 10.947 1.00 0.00 C ATOM 525 O ASP A 38 12.190 12.294 11.610 1.00 0.00 O ATOM 526 CB ASP A 38 9.766 13.524 12.853 1.00 0.00 C ATOM 527 CG ASP A 38 10.213 14.992 12.973 1.00 0.00 C ATOM 528 OD1 ASP A 38 11.146 15.391 12.238 1.00 0.00 O ATOM 529 OD2 ASP A 38 9.617 15.702 13.807 1.00 0.00 O ATOM 0 H ASP A 38 9.776 10.909 11.966 1.00 0.00 H new ATOM 0 HA ASP A 38 9.330 13.617 10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.727 13.444 13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.357 12.917 13.539 1.00 0.00 H new ATOM 534 N PRO A 39 11.595 13.560 9.802 1.00 0.00 N ATOM 535 CA PRO A 39 10.584 14.256 8.973 1.00 0.00 C ATOM 536 C PRO A 39 9.708 13.286 8.162 1.00 0.00 C ATOM 537 O PRO A 39 10.075 12.127 7.970 1.00 0.00 O ATOM 538 CB PRO A 39 11.399 15.206 8.098 1.00 0.00 C ATOM 539 CG PRO A 39 12.736 14.484 7.929 1.00 0.00 C ATOM 540 CD PRO A 39 12.953 13.777 9.269 1.00 0.00 C ATOM 0 HA PRO A 39 9.857 14.794 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.914 15.381 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.526 16.179 8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.703 13.772 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.543 15.185 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.482 12.833 9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.551 14.387 9.946 1.00 0.00 H new ATOM 548 N THR A 40 8.490 13.736 7.864 1.00 0.00 N ATOM 549 CA THR A 40 7.515 12.907 7.120 1.00 0.00 C ATOM 550 C THR A 40 7.766 12.949 5.604 1.00 0.00 C ATOM 551 O THR A 40 8.112 14.011 5.078 1.00 0.00 O ATOM 552 CB THR A 40 6.057 13.193 7.555 1.00 0.00 C ATOM 553 OG1 THR A 40 5.486 11.929 7.893 1.00 0.00 O ATOM 554 CG2 THR A 40 5.134 13.899 6.551 1.00 0.00 C ATOM 0 H THR A 40 8.147 14.662 8.120 1.00 0.00 H new ATOM 0 HA THR A 40 7.677 11.864 7.394 1.00 0.00 H new ATOM 0 HB THR A 40 6.126 13.909 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.887 11.601 8.725 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.147 14.031 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.551 14.873 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.048 13.294 5.648 1.00 0.00 H new ATOM 562 N PRO A 41 7.642 11.802 4.925 1.00 0.00 N ATOM 563 CA PRO A 41 7.760 11.747 3.459 1.00 0.00 C ATOM 564 C PRO A 41 6.554 12.416 2.791 1.00 0.00 C ATOM 565 O PRO A 41 5.464 12.516 3.354 1.00 0.00 O ATOM 566 CB PRO A 41 7.876 10.259 3.130 1.00 0.00 C ATOM 567 CG PRO A 41 7.104 9.583 4.262 1.00 0.00 C ATOM 568 CD PRO A 41 7.407 10.454 5.481 1.00 0.00 C ATOM 0 HA PRO A 41 8.625 12.293 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.444 10.028 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.916 9.934 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.035 9.547 4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.434 8.555 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.575 10.455 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.281 10.090 6.021 1.00 0.00 H new ATOM 576 N THR A 42 6.830 12.961 1.614 1.00 0.00 N ATOM 577 CA THR A 42 5.800 13.632 0.799 1.00 0.00 C ATOM 578 C THR A 42 4.916 12.592 0.094 1.00 0.00 C ATOM 579 O THR A 42 5.387 11.538 -0.331 1.00 0.00 O ATOM 580 CB THR A 42 6.420 14.634 -0.194 1.00 0.00 C ATOM 581 OG1 THR A 42 5.367 15.376 -0.817 1.00 0.00 O ATOM 582 CG2 THR A 42 7.345 14.002 -1.246 1.00 0.00 C ATOM 0 H THR A 42 7.759 12.957 1.192 1.00 0.00 H new ATOM 0 HA THR A 42 5.164 14.215 1.466 1.00 0.00 H new ATOM 0 HB THR A 42 7.070 15.292 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.750 16.019 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.736 14.780 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.173 13.498 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.783 13.278 -1.837 1.00 0.00 H new ATOM 590 N ALA A 43 3.643 12.940 -0.027 1.00 0.00 N ATOM 591 CA ALA A 43 2.660 12.099 -0.730 1.00 0.00 C ATOM 592 C ALA A 43 2.659 12.429 -2.230 1.00 0.00 C ATOM 593 O ALA A 43 2.515 13.587 -2.628 1.00 0.00 O ATOM 594 CB ALA A 43 1.280 12.323 -0.106 1.00 0.00 C ATOM 0 H ALA A 43 3.256 13.804 0.353 1.00 0.00 H new ATOM 0 HA ALA A 43 2.925 11.047 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.544 11.705 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.309 12.051 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.003 13.373 -0.203 1.00 0.00 H new ATOM 600 N THR A 44 2.881 11.392 -3.033 1.00 0.00 N ATOM 601 CA THR A 44 2.884 11.531 -4.505 1.00 0.00 C ATOM 602 C THR A 44 1.827 10.646 -5.190 1.00 0.00 C ATOM 603 O THR A 44 1.550 9.529 -4.751 1.00 0.00 O ATOM 604 CB THR A 44 4.314 11.335 -5.042 1.00 0.00 C ATOM 605 OG1 THR A 44 4.466 12.136 -6.211 1.00 0.00 O ATOM 606 CG2 THR A 44 4.704 9.887 -5.352 1.00 0.00 C ATOM 0 H THR A 44 3.062 10.445 -2.700 1.00 0.00 H new ATOM 0 HA THR A 44 2.578 12.545 -4.762 1.00 0.00 H new ATOM 0 HB THR A 44 4.988 11.640 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.995 11.647 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.728 9.858 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.630 9.288 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.032 9.483 -6.109 1.00 0.00 H new ATOM 614 N ILE A 45 1.229 11.194 -6.243 1.00 0.00 N ATOM 615 CA ILE A 45 0.155 10.536 -7.022 1.00 0.00 C ATOM 616 C ILE A 45 0.774 9.450 -7.918 1.00 0.00 C ATOM 617 O ILE A 45 1.655 9.720 -8.739 1.00 0.00 O ATOM 618 CB ILE A 45 -0.645 11.588 -7.819 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.309 12.586 -6.855 1.00 0.00 C ATOM 620 CG2 ILE A 45 -1.692 10.942 -8.743 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.790 13.884 -7.517 1.00 0.00 C ATOM 0 H ILE A 45 1.471 12.120 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.555 10.047 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 45 0.056 12.123 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.159 12.100 -6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.600 12.836 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.230 11.721 -9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.193 10.285 -9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.396 10.362 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.245 14.529 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.942 14.397 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.525 13.649 -8.286 1.00 0.00 H new ATOM 633 N VAL A 46 0.418 8.213 -7.591 1.00 0.00 N ATOM 634 CA VAL A 46 0.884 7.026 -8.332 1.00 0.00 C ATOM 635 C VAL A 46 -0.283 6.147 -8.803 1.00 0.00 C ATOM 636 O VAL A 46 -1.352 6.118 -8.193 1.00 0.00 O ATOM 637 CB VAL A 46 1.933 6.201 -7.550 1.00 0.00 C ATOM 638 CG1 VAL A 46 3.141 7.055 -7.174 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.407 5.494 -6.301 1.00 0.00 C ATOM 0 H VAL A 46 -0.199 7.995 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 46 1.388 7.407 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 46 2.221 5.414 -8.247 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.860 6.447 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.609 7.442 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.818 7.887 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.219 4.944 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.012 6.233 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.615 4.800 -6.582 1.00 0.00 H new ATOM 649 N HIS A 47 0.021 5.334 -9.807 1.00 0.00 N ATOM 650 CA HIS A 47 -0.930 4.333 -10.320 1.00 0.00 C ATOM 651 C HIS A 47 -0.652 2.946 -9.729 1.00 0.00 C ATOM 652 O HIS A 47 0.492 2.583 -9.456 1.00 0.00 O ATOM 653 CB HIS A 47 -0.931 4.294 -11.849 1.00 0.00 C ATOM 654 CG HIS A 47 -1.836 5.395 -12.430 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.133 5.273 -12.661 1.00 0.00 N ATOM 656 CD2 HIS A 47 -1.446 6.590 -12.853 1.00 0.00 C ATOM 657 CE1 HIS A 47 -3.556 6.402 -13.239 1.00 0.00 C ATOM 658 NE2 HIS A 47 -2.512 7.210 -13.359 1.00 0.00 N ATOM 0 H HIS A 47 0.920 5.342 -10.289 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.927 4.635 -9.999 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.086 4.421 -12.220 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.275 3.318 -12.191 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.444 6.989 -12.797 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.567 6.617 -13.552 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.523 8.144 -13.768 1.00 0.00 H new ATOM 666 N PHE A 48 -1.757 2.264 -9.463 1.00 0.00 N ATOM 667 CA PHE A 48 -1.806 0.932 -8.841 1.00 0.00 C ATOM 668 C PHE A 48 -2.285 -0.096 -9.867 1.00 0.00 C ATOM 669 O PHE A 48 -3.472 -0.205 -10.186 1.00 0.00 O ATOM 670 CB PHE A 48 -2.788 0.969 -7.670 1.00 0.00 C ATOM 671 CG PHE A 48 -2.370 0.001 -6.570 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.700 -1.349 -6.613 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.664 0.506 -5.488 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.324 -2.175 -5.562 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.280 -0.312 -4.445 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.623 -1.658 -4.478 1.00 0.00 C ATOM 0 H PHE A 48 -2.684 2.630 -9.680 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.813 0.655 -8.488 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.840 1.981 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.788 0.714 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.243 -1.751 -7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.411 1.556 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.577 -3.225 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.720 0.089 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.344 -2.305 -3.659 1.00 0.00 H new ATOM 686 N LYS A 49 -1.303 -0.796 -10.408 1.00 0.00 N ATOM 687 CA LYS A 49 -1.541 -1.802 -11.449 1.00 0.00 C ATOM 688 C LYS A 49 -1.490 -3.201 -10.830 1.00 0.00 C ATOM 689 O LYS A 49 -0.457 -3.644 -10.337 1.00 0.00 O ATOM 690 CB LYS A 49 -0.508 -1.586 -12.552 1.00 0.00 C ATOM 691 CG LYS A 49 -1.203 -1.455 -13.906 1.00 0.00 C ATOM 692 CD LYS A 49 -0.600 -0.312 -14.719 1.00 0.00 C ATOM 693 CE LYS A 49 -0.788 -0.502 -16.228 1.00 0.00 C ATOM 694 NZ LYS A 49 -2.077 -0.032 -16.758 1.00 0.00 N ATOM 0 H LYS A 49 -0.323 -0.691 -10.146 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.531 -1.703 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.074 -0.688 -12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.192 -2.421 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.109 -2.389 -14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.268 -1.278 -13.757 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.060 0.628 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.464 -0.234 -14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.014 0.022 -16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.681 -1.561 -16.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.113 -0.201 -17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.852 -0.548 -16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.179 0.986 -16.571 1.00 0.00 H new ATOM 708 N VAL A 50 -2.693 -3.720 -10.619 1.00 0.00 N ATOM 709 CA VAL A 50 -2.897 -5.040 -9.998 1.00 0.00 C ATOM 710 C VAL A 50 -3.118 -6.120 -11.067 1.00 0.00 C ATOM 711 O VAL A 50 -4.058 -6.080 -11.859 1.00 0.00 O ATOM 712 CB VAL A 50 -4.028 -4.964 -8.958 1.00 0.00 C ATOM 713 CG1 VAL A 50 -5.392 -4.675 -9.584 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.069 -6.222 -8.089 1.00 0.00 C ATOM 0 H VAL A 50 -3.560 -3.245 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.996 -5.335 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.799 -4.115 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.150 -4.633 -8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.357 -3.719 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.643 -5.466 -10.290 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.879 -6.137 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.237 -7.095 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.121 -6.332 -7.562 1.00 0.00 H new ATOM 724 N SER A 51 -2.206 -7.071 -11.053 1.00 0.00 N ATOM 725 CA SER A 51 -2.193 -8.202 -11.998 1.00 0.00 C ATOM 726 C SER A 51 -2.523 -9.467 -11.214 1.00 0.00 C ATOM 727 O SER A 51 -2.398 -9.466 -9.987 1.00 0.00 O ATOM 728 CB SER A 51 -0.810 -8.337 -12.646 1.00 0.00 C ATOM 729 OG SER A 51 -0.937 -8.971 -13.922 1.00 0.00 O ATOM 0 H SER A 51 -1.438 -7.093 -10.382 1.00 0.00 H new ATOM 0 HA SER A 51 -2.924 -8.039 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.354 -7.354 -12.761 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.151 -8.921 -12.003 1.00 0.00 H new ATOM 0 HG SER A 51 -0.052 -9.055 -14.335 1.00 0.00 H new ATOM 735 N ALA A 52 -2.747 -10.548 -11.960 1.00 0.00 N ATOM 736 CA ALA A 52 -3.024 -11.895 -11.410 1.00 0.00 C ATOM 737 C ALA A 52 -2.080 -12.271 -10.250 1.00 0.00 C ATOM 738 O ALA A 52 -2.525 -12.789 -9.233 1.00 0.00 O ATOM 739 CB ALA A 52 -2.919 -12.930 -12.534 1.00 0.00 C ATOM 0 H ALA A 52 -2.743 -10.523 -12.980 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.034 -11.883 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.122 -13.923 -12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.645 -12.697 -13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.915 -12.907 -12.957 1.00 0.00 H new ATOM 745 N GLN A 53 -0.837 -11.789 -10.362 1.00 0.00 N ATOM 746 CA GLN A 53 0.183 -11.829 -9.296 1.00 0.00 C ATOM 747 C GLN A 53 1.339 -10.842 -9.542 1.00 0.00 C ATOM 748 O GLN A 53 2.515 -11.203 -9.511 1.00 0.00 O ATOM 749 CB GLN A 53 0.691 -13.265 -9.134 1.00 0.00 C ATOM 750 CG GLN A 53 0.432 -13.711 -7.697 1.00 0.00 C ATOM 751 CD GLN A 53 -0.253 -15.075 -7.680 1.00 0.00 C ATOM 752 OE1 GLN A 53 0.488 -16.105 -7.348 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 -1.413 -15.242 -8.022 1.00 0.00 N flip ATOM 0 H GLN A 53 -0.499 -11.348 -11.217 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.286 -11.506 -8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.182 -13.928 -9.834 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.756 -13.318 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.373 -13.763 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.192 -12.977 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.989 -14.441 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.806 -16.183 -8.050 1.00 0.00 H new ATOM 762 N GLY A 54 0.986 -9.553 -9.615 1.00 0.00 N ATOM 763 CA GLY A 54 1.982 -8.502 -9.908 1.00 0.00 C ATOM 764 C GLY A 54 1.412 -7.101 -9.706 1.00 0.00 C ATOM 765 O GLY A 54 0.373 -6.767 -10.264 1.00 0.00 O ATOM 0 H GLY A 54 0.035 -9.211 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.851 -8.636 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.328 -8.608 -10.936 1.00 0.00 H new ATOM 769 N ILE A 55 1.993 -6.382 -8.763 1.00 0.00 N ATOM 770 CA ILE A 55 1.539 -5.015 -8.449 1.00 0.00 C ATOM 771 C ILE A 55 2.633 -4.060 -8.908 1.00 0.00 C ATOM 772 O ILE A 55 3.792 -4.262 -8.572 1.00 0.00 O ATOM 773 CB ILE A 55 1.305 -4.827 -6.941 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.489 -5.972 -6.316 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.690 -3.447 -6.659 1.00 0.00 C ATOM 776 CD1 ILE A 55 -0.902 -6.177 -6.905 1.00 0.00 C ATOM 0 H ILE A 55 2.777 -6.708 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 55 0.592 -4.822 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 55 2.278 -4.866 -6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.052 -6.899 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.389 -5.784 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.531 -3.332 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.366 -2.668 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.264 -3.361 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.394 -7.006 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.491 -5.269 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.817 -6.402 -7.968 1.00 0.00 H new ATOM 788 N THR A 56 2.191 -2.969 -9.510 1.00 0.00 N ATOM 789 CA THR A 56 3.087 -1.951 -10.086 1.00 0.00 C ATOM 790 C THR A 56 2.613 -0.565 -9.639 1.00 0.00 C ATOM 791 O THR A 56 1.412 -0.297 -9.588 1.00 0.00 O ATOM 792 CB THR A 56 3.095 -2.084 -11.619 1.00 0.00 C ATOM 793 OG1 THR A 56 3.254 -3.464 -11.976 1.00 0.00 O ATOM 794 CG2 THR A 56 4.238 -1.284 -12.250 1.00 0.00 C ATOM 0 H THR A 56 1.200 -2.753 -9.619 1.00 0.00 H new ATOM 0 HA THR A 56 4.109 -2.094 -9.735 1.00 0.00 H new ATOM 0 HB THR A 56 2.149 -1.692 -11.991 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.258 -3.551 -12.952 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.211 -1.403 -13.333 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.127 -0.229 -11.998 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.192 -1.649 -11.869 1.00 0.00 H new ATOM 802 N LEU A 57 3.590 0.219 -9.193 1.00 0.00 N ATOM 803 CA LEU A 57 3.397 1.585 -8.674 1.00 0.00 C ATOM 804 C LEU A 57 4.364 2.566 -9.328 1.00 0.00 C ATOM 805 O LEU A 57 5.581 2.483 -9.161 1.00 0.00 O ATOM 806 CB LEU A 57 3.592 1.587 -7.159 1.00 0.00 C ATOM 807 CG LEU A 57 2.445 0.831 -6.502 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.956 0.132 -5.253 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.325 1.806 -6.153 1.00 0.00 C ATOM 0 H LEU A 57 4.566 -0.078 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 57 2.383 1.905 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.544 1.121 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.628 2.611 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 57 2.051 0.082 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.138 -0.411 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.746 -0.568 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.351 0.872 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.504 1.264 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.702 2.562 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.967 2.289 -7.062 1.00 0.00 H new ATOM 821 N THR A 58 3.767 3.405 -10.161 1.00 0.00 N ATOM 822 CA THR A 58 4.512 4.374 -10.989 1.00 0.00 C ATOM 823 C THR A 58 4.082 5.796 -10.610 1.00 0.00 C ATOM 824 O THR A 58 2.893 6.064 -10.435 1.00 0.00 O ATOM 825 CB THR A 58 4.278 4.146 -12.498 1.00 0.00 C ATOM 826 OG1 THR A 58 2.956 4.534 -12.884 1.00 0.00 O ATOM 827 CG2 THR A 58 4.518 2.690 -12.921 1.00 0.00 C ATOM 0 H THR A 58 2.756 3.443 -10.290 1.00 0.00 H new ATOM 0 HA THR A 58 5.576 4.234 -10.797 1.00 0.00 H new ATOM 0 HB THR A 58 5.008 4.773 -13.010 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.837 4.380 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.339 2.588 -13.991 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.548 2.411 -12.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.838 2.036 -12.375 1.00 0.00 H new ATOM 835 N ASP A 59 5.066 6.671 -10.428 1.00 0.00 N ATOM 836 CA ASP A 59 4.808 8.098 -10.158 1.00 0.00 C ATOM 837 C ASP A 59 4.308 8.802 -11.428 1.00 0.00 C ATOM 838 O ASP A 59 5.076 9.012 -12.365 1.00 0.00 O ATOM 839 CB ASP A 59 6.075 8.768 -9.612 1.00 0.00 C ATOM 840 CG ASP A 59 5.898 10.256 -9.292 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.710 11.047 -10.244 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.025 10.621 -8.108 1.00 0.00 O ATOM 0 H ASP A 59 6.055 6.425 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 59 4.027 8.181 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.390 8.246 -8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.877 8.656 -10.341 1.00 0.00 H new ATOM 847 N ASN A 60 3.047 9.210 -11.380 1.00 0.00 N ATOM 848 CA ASN A 60 2.444 10.024 -12.454 1.00 0.00 C ATOM 849 C ASN A 60 2.142 11.469 -12.020 1.00 0.00 C ATOM 850 O ASN A 60 1.556 12.248 -12.767 1.00 0.00 O ATOM 851 CB ASN A 60 1.158 9.345 -12.928 1.00 0.00 C ATOM 852 CG ASN A 60 1.170 9.204 -14.450 1.00 0.00 C ATOM 853 OD1 ASN A 60 0.728 10.050 -15.214 1.00 0.00 O ATOM 854 ND2 ASN A 60 1.739 8.117 -14.918 1.00 0.00 N ATOM 0 H ASN A 60 2.412 8.996 -10.611 1.00 0.00 H new ATOM 0 HA ASN A 60 3.171 10.089 -13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.064 8.363 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.292 9.929 -12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.815 7.974 -15.925 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.105 7.416 -14.274 1.00 0.00 H new ATOM 861 N GLN A 61 2.663 11.839 -10.852 1.00 0.00 N ATOM 862 CA GLN A 61 2.455 13.170 -10.264 1.00 0.00 C ATOM 863 C GLN A 61 3.337 14.212 -10.974 1.00 0.00 C ATOM 864 O GLN A 61 2.829 15.005 -11.761 1.00 0.00 O ATOM 865 CB GLN A 61 2.684 13.096 -8.752 1.00 0.00 C ATOM 866 CG GLN A 61 2.110 14.327 -8.044 1.00 0.00 C ATOM 867 CD GLN A 61 3.174 15.282 -7.499 1.00 0.00 C ATOM 868 OE1 GLN A 61 4.320 15.344 -7.925 1.00 0.00 O ATOM 869 NE2 GLN A 61 2.796 16.026 -6.486 1.00 0.00 N ATOM 0 H GLN A 61 3.244 11.225 -10.281 1.00 0.00 H new ATOM 0 HA GLN A 61 1.427 13.499 -10.414 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.218 12.194 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.752 13.020 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.472 14.870 -8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.476 13.998 -7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.839 15.967 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.459 16.664 -6.046 1.00 0.00 H new ATOM 983 N ARG A 67 9.738 3.839 -9.614 1.00 0.00 N ATOM 984 CA ARG A 67 8.643 2.885 -9.865 1.00 0.00 C ATOM 985 C ARG A 67 8.952 1.563 -9.154 1.00 0.00 C ATOM 986 O ARG A 67 10.021 0.972 -9.317 1.00 0.00 O ATOM 987 CB ARG A 67 8.406 2.711 -11.373 1.00 0.00 C ATOM 988 CG ARG A 67 9.596 2.075 -12.097 1.00 0.00 C ATOM 989 CD ARG A 67 9.972 2.812 -13.379 1.00 0.00 C ATOM 990 NE ARG A 67 11.279 2.305 -13.831 1.00 0.00 N ATOM 991 CZ ARG A 67 12.483 2.656 -13.363 1.00 0.00 C ATOM 992 NH1 ARG A 67 12.637 3.549 -12.392 1.00 0.00 N ATOM 993 NH2 ARG A 67 13.572 2.107 -13.876 1.00 0.00 N ATOM 0 HA ARG A 67 7.710 3.273 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.522 2.093 -11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.196 3.684 -11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.456 2.059 -11.427 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.358 1.038 -12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.215 2.651 -14.147 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.021 3.886 -13.200 1.00 0.00 H new ATOM 0 HE ARG A 67 11.265 1.613 -14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.820 3.995 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.572 3.789 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.492 1.419 -14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.491 2.371 -13.522 1.00 0.00 H new ATOM 1007 N ARG A 68 8.079 1.229 -8.218 1.00 0.00 N ATOM 1008 CA ARG A 68 8.223 -0.031 -7.478 1.00 0.00 C ATOM 1009 C ARG A 68 7.074 -0.988 -7.803 1.00 0.00 C ATOM 1010 O ARG A 68 5.915 -0.592 -7.895 1.00 0.00 O ATOM 1011 CB ARG A 68 8.316 0.249 -5.980 1.00 0.00 C ATOM 1012 CG ARG A 68 9.391 -0.667 -5.400 1.00 0.00 C ATOM 1013 CD ARG A 68 8.824 -1.491 -4.253 1.00 0.00 C ATOM 1014 NE ARG A 68 9.739 -2.601 -3.952 1.00 0.00 N ATOM 1015 CZ ARG A 68 9.510 -3.575 -3.070 1.00 0.00 C ATOM 1016 NH1 ARG A 68 8.386 -3.619 -2.373 1.00 0.00 N ATOM 1017 NH2 ARG A 68 10.393 -4.542 -2.888 1.00 0.00 N ATOM 0 H ARG A 68 7.274 1.795 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 68 9.147 -0.519 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.568 1.294 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.356 0.066 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.772 -1.329 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.233 -0.072 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.692 -0.864 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.840 -1.878 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 68 10.623 -2.629 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.675 -2.899 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.230 -4.373 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.260 -4.548 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.207 -5.282 -2.211 1.00 0.00 H new ATOM 1031 N HIS A 69 7.457 -2.232 -8.053 1.00 0.00 N ATOM 1032 CA HIS A 69 6.497 -3.289 -8.402 1.00 0.00 C ATOM 1033 C HIS A 69 6.791 -4.558 -7.597 1.00 0.00 C ATOM 1034 O HIS A 69 7.917 -5.051 -7.583 1.00 0.00 O ATOM 1035 CB HIS A 69 6.448 -3.555 -9.915 1.00 0.00 C ATOM 1036 CG HIS A 69 7.701 -4.225 -10.494 1.00 0.00 C ATOM 1037 ND1 HIS A 69 8.923 -3.727 -10.464 1.00 0.00 N ATOM 1038 CD2 HIS A 69 7.744 -5.435 -11.036 1.00 0.00 C ATOM 1039 CE1 HIS A 69 9.745 -4.640 -10.986 1.00 0.00 C ATOM 1040 NE2 HIS A 69 9.015 -5.691 -11.342 1.00 0.00 N ATOM 0 H HIS A 69 8.428 -2.543 -8.022 1.00 0.00 H new ATOM 0 HA HIS A 69 5.500 -2.942 -8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.585 -4.184 -10.131 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.289 -2.608 -10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.903 -6.092 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.815 -4.542 -11.099 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.366 -6.545 -11.774 1.00 0.00 H new ATOM 1048 N TYR A 70 5.789 -4.959 -6.834 1.00 0.00 N ATOM 1049 CA TYR A 70 5.877 -6.131 -5.952 1.00 0.00 C ATOM 1050 C TYR A 70 4.813 -7.164 -6.370 1.00 0.00 C ATOM 1051 O TYR A 70 3.659 -6.798 -6.595 1.00 0.00 O ATOM 1052 CB TYR A 70 5.720 -5.690 -4.491 1.00 0.00 C ATOM 1053 CG TYR A 70 4.362 -5.047 -4.202 1.00 0.00 C ATOM 1054 CD1 TYR A 70 3.287 -5.872 -3.935 1.00 0.00 C ATOM 1055 CD2 TYR A 70 4.178 -3.672 -4.225 1.00 0.00 C ATOM 1056 CE1 TYR A 70 2.042 -5.345 -3.642 1.00 0.00 C ATOM 1057 CE2 TYR A 70 2.924 -3.148 -3.953 1.00 0.00 C ATOM 1058 CZ TYR A 70 1.859 -3.982 -3.647 1.00 0.00 C ATOM 1059 OH TYR A 70 0.635 -3.495 -3.342 1.00 0.00 O ATOM 0 H TYR A 70 4.886 -4.486 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 70 6.854 -6.606 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.852 -6.554 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.511 -4.982 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.420 -6.944 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.005 -3.016 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.217 -6.002 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.775 -2.079 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 70 0.612 -3.236 -2.397 1.00 0.00 H new ATOM 1069 N PRO A 71 5.193 -8.419 -6.586 1.00 0.00 N ATOM 1070 CA PRO A 71 4.206 -9.456 -6.938 1.00 0.00 C ATOM 1071 C PRO A 71 3.394 -9.873 -5.705 1.00 0.00 C ATOM 1072 O PRO A 71 3.926 -9.973 -4.607 1.00 0.00 O ATOM 1073 CB PRO A 71 5.036 -10.559 -7.596 1.00 0.00 C ATOM 1074 CG PRO A 71 6.467 -10.370 -7.082 1.00 0.00 C ATOM 1075 CD PRO A 71 6.581 -8.898 -6.696 1.00 0.00 C ATOM 0 HA PRO A 71 3.432 -9.128 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.654 -11.545 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.998 -10.481 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.663 -11.015 -6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.196 -10.630 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.115 -8.778 -5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.133 -8.335 -7.449 1.00 0.00 H new ATOM 1083 N LEU A 72 2.090 -10.086 -5.872 1.00 0.00 N ATOM 1084 CA LEU A 72 1.199 -10.513 -4.764 1.00 0.00 C ATOM 1085 C LEU A 72 1.641 -11.799 -4.049 1.00 0.00 C ATOM 1086 O LEU A 72 1.443 -11.919 -2.846 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.244 -10.669 -5.244 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.021 -9.352 -5.262 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -2.252 -9.519 -6.154 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -1.462 -8.942 -3.851 1.00 0.00 C ATOM 0 H LEU A 72 1.612 -9.972 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 72 1.268 -9.710 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.242 -11.095 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.760 -11.379 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.370 -8.569 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.815 -8.586 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.936 -9.776 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.883 -10.315 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.011 -8.002 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.104 -9.716 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.584 -8.816 -3.218 1.00 0.00 H new ATOM 1102 N ASN A 73 2.469 -12.578 -4.748 1.00 0.00 N ATOM 1103 CA ASN A 73 3.150 -13.780 -4.215 1.00 0.00 C ATOM 1104 C ASN A 73 3.983 -13.481 -2.946 1.00 0.00 C ATOM 1105 O ASN A 73 4.381 -14.401 -2.238 1.00 0.00 O ATOM 1106 CB ASN A 73 4.043 -14.391 -5.315 1.00 0.00 C ATOM 1107 CG ASN A 73 5.371 -13.659 -5.572 1.00 0.00 C ATOM 1108 OD1 ASN A 73 5.543 -12.483 -5.305 1.00 0.00 O ATOM 1109 ND2 ASN A 73 6.365 -14.345 -6.082 1.00 0.00 N ATOM 0 H ASN A 73 2.696 -12.394 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 73 2.380 -14.493 -3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.264 -15.424 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.476 -14.417 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.264 -13.893 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.239 -15.331 -6.312 1.00 0.00 H new ATOM 1116 N THR A 74 4.417 -12.220 -2.851 1.00 0.00 N ATOM 1117 CA THR A 74 5.229 -11.661 -1.758 1.00 0.00 C ATOM 1118 C THR A 74 4.320 -11.044 -0.683 1.00 0.00 C ATOM 1119 O THR A 74 4.487 -11.264 0.509 1.00 0.00 O ATOM 1120 CB THR A 74 6.288 -10.683 -2.337 1.00 0.00 C ATOM 1121 OG1 THR A 74 7.372 -10.552 -1.430 1.00 0.00 O ATOM 1122 CG2 THR A 74 5.858 -9.240 -2.612 1.00 0.00 C ATOM 0 H THR A 74 4.203 -11.526 -3.567 1.00 0.00 H new ATOM 0 HA THR A 74 5.788 -12.450 -1.254 1.00 0.00 H new ATOM 0 HB THR A 74 6.517 -11.150 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.037 -9.935 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.702 -8.679 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.043 -9.235 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.523 -8.777 -1.684 1.00 0.00 H new ATOM 1130 N VAL A 75 3.280 -10.344 -1.120 1.00 0.00 N ATOM 1131 CA VAL A 75 2.331 -9.657 -0.220 1.00 0.00 C ATOM 1132 C VAL A 75 1.533 -10.688 0.566 1.00 0.00 C ATOM 1133 O VAL A 75 0.603 -11.316 0.071 1.00 0.00 O ATOM 1134 CB VAL A 75 1.384 -8.725 -0.971 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.540 -7.862 -0.033 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.246 -7.784 -1.770 1.00 0.00 C ATOM 0 H VAL A 75 3.061 -10.230 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 75 2.916 -9.038 0.461 1.00 0.00 H new ATOM 0 HB VAL A 75 0.711 -9.333 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.115 -7.219 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.063 -8.505 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.195 -7.246 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.612 -7.094 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.891 -7.220 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.860 -8.355 -2.466 1.00 0.00 H new ATOM 1146 N THR A 76 1.991 -10.827 1.792 1.00 0.00 N ATOM 1147 CA THR A 76 1.416 -11.764 2.770 1.00 0.00 C ATOM 1148 C THR A 76 0.099 -11.213 3.334 1.00 0.00 C ATOM 1149 O THR A 76 -0.881 -11.936 3.483 1.00 0.00 O ATOM 1150 CB THR A 76 2.430 -12.038 3.889 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.808 -10.810 4.514 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.680 -12.751 3.364 1.00 0.00 C ATOM 0 H THR A 76 2.781 -10.293 2.154 1.00 0.00 H new ATOM 0 HA THR A 76 1.193 -12.707 2.272 1.00 0.00 H new ATOM 0 HB THR A 76 1.949 -12.693 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.454 -10.992 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.372 -12.926 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.395 -13.705 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.163 -12.130 2.610 1.00 0.00 H new ATOM 1160 N PHE A 77 0.102 -9.912 3.614 1.00 0.00 N ATOM 1161 CA PHE A 77 -1.069 -9.198 4.142 1.00 0.00 C ATOM 1162 C PHE A 77 -1.215 -7.849 3.441 1.00 0.00 C ATOM 1163 O PHE A 77 -0.258 -7.080 3.439 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.840 -8.947 5.631 1.00 0.00 C ATOM 1165 CG PHE A 77 -2.072 -9.290 6.452 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -3.262 -8.591 6.285 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -1.990 -10.333 7.367 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -4.372 -8.935 7.037 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.098 -10.670 8.123 1.00 0.00 C ATOM 1170 CZ PHE A 77 -4.290 -9.972 7.962 1.00 0.00 C ATOM 0 H PHE A 77 0.919 -9.316 3.482 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.968 -9.791 3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.005 -9.543 5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.577 -7.901 5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.320 -7.783 5.571 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.065 -10.878 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.301 -8.399 6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.037 -11.476 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.153 -10.235 8.555 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.436 -7.560 3.001 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.797 -6.305 2.312 1.00 0.00 C ATOM 1182 C CYS A 78 -4.165 -5.789 2.775 1.00 0.00 C ATOM 1183 O CYS A 78 -5.217 -6.069 2.203 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.721 -6.506 0.792 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.474 -8.064 0.189 1.00 0.00 S ATOM 0 H CYS A 78 -3.224 -8.198 3.111 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.078 -5.530 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.215 -5.666 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.675 -6.482 0.488 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.675 -8.181 0.672 1.00 0.00 H new ATOM 1191 N ASP A 79 -4.107 -5.154 3.938 1.00 0.00 N ATOM 1192 CA ASP A 79 -5.294 -4.604 4.612 1.00 0.00 C ATOM 1193 C ASP A 79 -5.090 -3.133 5.000 1.00 0.00 C ATOM 1194 O ASP A 79 -3.987 -2.595 4.902 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.650 -5.488 5.814 1.00 0.00 C ATOM 1196 CG ASP A 79 -7.085 -6.017 5.706 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -7.340 -6.821 4.785 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -7.918 -5.533 6.503 1.00 0.00 O ATOM 0 H ASP A 79 -3.237 -5.001 4.448 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.138 -4.614 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.954 -6.325 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.539 -4.916 6.735 1.00 0.00 H new ATOM 1203 N LEU A 80 -6.190 -2.479 5.370 1.00 0.00 N ATOM 1204 CA LEU A 80 -6.136 -1.101 5.895 1.00 0.00 C ATOM 1205 C LEU A 80 -5.239 -1.020 7.137 1.00 0.00 C ATOM 1206 O LEU A 80 -4.784 -2.027 7.682 1.00 0.00 O ATOM 1207 CB LEU A 80 -7.531 -0.570 6.263 1.00 0.00 C ATOM 1208 CG LEU A 80 -8.330 0.124 5.151 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.583 1.307 4.540 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -8.768 -0.866 4.083 1.00 0.00 C ATOM 0 H LEU A 80 -7.130 -2.873 5.319 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.722 -0.484 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.124 -1.406 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.419 0.133 7.088 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.226 0.531 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.195 1.760 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.377 2.046 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.643 0.961 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.331 -0.342 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.890 -1.333 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.398 -1.633 4.534 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.954 0.210 7.534 1.00 0.00 N ATOM 1223 CA ASP A 81 -4.180 0.478 8.757 1.00 0.00 C ATOM 1224 C ASP A 81 -4.952 0.056 10.029 1.00 0.00 C ATOM 1225 O ASP A 81 -5.977 0.668 10.330 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.765 1.954 8.771 1.00 0.00 C ATOM 1227 CG ASP A 81 -4.937 2.943 8.798 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.678 3.010 7.793 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -5.074 3.569 9.866 1.00 0.00 O ATOM 0 H ASP A 81 -5.244 1.049 7.031 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.276 -0.131 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.135 2.133 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.156 2.156 7.890 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.435 -0.914 10.800 1.00 0.00 N ATOM 1235 CA PRO A 82 -5.038 -1.341 12.078 1.00 0.00 C ATOM 1236 C PRO A 82 -4.907 -0.287 13.193 1.00 0.00 C ATOM 1237 O PRO A 82 -5.478 -0.444 14.264 1.00 0.00 O ATOM 1238 CB PRO A 82 -4.354 -2.667 12.418 1.00 0.00 C ATOM 1239 CG PRO A 82 -2.973 -2.551 11.780 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.190 -1.663 10.554 1.00 0.00 C ATOM 0 HA PRO A 82 -6.117 -1.464 11.986 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.284 -2.814 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.908 -3.515 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.254 -2.108 12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.583 -3.529 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.349 -0.984 10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.270 -2.264 9.648 1.00 0.00 H new ATOM 1248 N GLN A 83 -4.198 0.803 12.893 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.119 1.995 13.761 1.00 0.00 C ATOM 1250 C GLN A 83 -5.368 2.883 13.748 1.00 0.00 C ATOM 1251 O GLN A 83 -5.454 3.825 14.531 1.00 0.00 O ATOM 1252 CB GLN A 83 -2.897 2.836 13.404 1.00 0.00 C ATOM 1253 CG GLN A 83 -1.631 2.273 14.049 1.00 0.00 C ATOM 1254 CD GLN A 83 -1.600 2.512 15.558 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -2.327 1.923 16.345 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -0.724 3.389 15.983 1.00 0.00 N ATOM 0 H GLN A 83 -3.655 0.891 12.034 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.037 1.601 14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.775 2.864 12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.050 3.863 13.734 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.568 1.203 13.850 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.756 2.734 13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.123 3.874 15.316 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.643 3.587 16.980 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.239 2.658 12.759 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.486 3.420 12.553 1.00 0.00 C ATOM 1267 C GLU A 84 -7.235 4.945 12.479 1.00 0.00 C ATOM 1268 O GLU A 84 -7.921 5.770 13.079 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.468 3.031 13.664 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.916 3.094 13.180 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.898 2.977 14.348 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -10.752 3.762 15.310 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -11.831 2.156 14.212 1.00 0.00 O ATOM 0 H GLU A 84 -6.099 1.927 12.062 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.920 3.165 11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.244 2.023 14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.339 3.699 14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.085 4.033 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.099 2.290 12.467 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.193 5.274 11.728 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.755 6.655 11.474 1.00 0.00 C ATOM 1282 C ARG A 85 -5.827 6.996 9.979 1.00 0.00 C ATOM 1283 O ARG A 85 -6.119 6.163 9.117 1.00 0.00 O ATOM 1284 CB ARG A 85 -4.326 6.851 11.982 1.00 0.00 C ATOM 1285 CG ARG A 85 -4.211 6.867 13.501 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.762 7.150 13.906 1.00 0.00 C ATOM 1287 NE ARG A 85 -2.479 6.473 15.180 1.00 0.00 N ATOM 1288 CZ ARG A 85 -2.899 6.819 16.400 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -3.625 7.906 16.624 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -2.596 6.045 17.427 1.00 0.00 N ATOM 0 H ARG A 85 -5.610 4.578 11.264 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.427 7.326 12.009 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.697 6.053 11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.935 7.789 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.870 7.629 13.917 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.533 5.909 13.910 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.079 6.797 13.133 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.602 8.224 14.007 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.892 5.640 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.884 8.515 15.848 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.925 8.133 17.572 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.049 5.197 17.282 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.909 6.296 18.365 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.492 8.251 9.713 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.492 8.830 8.364 1.00 0.00 C ATOM 1306 C LYS A 86 -4.164 9.535 8.080 1.00 0.00 C ATOM 1307 O LYS A 86 -3.351 9.729 8.980 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.697 9.756 8.203 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.761 8.994 7.412 1.00 0.00 C ATOM 1310 CD LYS A 86 -9.156 9.616 7.458 1.00 0.00 C ATOM 1311 CE LYS A 86 -10.030 9.003 8.556 1.00 0.00 C ATOM 1312 NZ LYS A 86 -10.159 9.856 9.746 1.00 0.00 N ATOM 0 H LYS A 86 -5.207 8.912 10.436 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.586 8.036 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.084 10.054 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.412 10.669 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.442 8.926 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.819 7.975 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.067 10.690 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.643 9.482 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.022 8.805 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.608 8.042 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.762 9.383 10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.218 10.026 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.588 10.764 9.477 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.907 9.712 6.793 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.696 10.413 6.334 1.00 0.00 C ATOM 1328 C TRP A 87 -2.962 11.915 6.240 1.00 0.00 C ATOM 1329 O TRP A 87 -2.063 12.697 6.512 1.00 0.00 O ATOM 1330 CB TRP A 87 -2.215 9.842 4.994 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.933 10.516 4.494 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.858 11.340 3.454 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.355 10.329 4.966 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.413 11.693 3.261 1.00 0.00 N ATOM 1335 CE2 TRP A 87 1.185 11.100 4.160 1.00 0.00 C ATOM 1336 CE3 TRP A 87 0.903 9.509 5.942 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.562 11.058 4.335 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.278 9.507 6.149 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.107 10.274 5.345 1.00 0.00 C ATOM 0 H TRP A 87 -4.514 9.384 6.041 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.899 10.256 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.041 8.771 5.101 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.000 9.964 4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.696 11.672 2.858 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.742 12.325 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.264 8.875 6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.208 11.633 3.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.702 8.905 6.939 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.175 10.262 5.503 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.723 14.338 4.518 1.00 0.00 N ATOM 1438 CA PRO A 95 -8.431 13.028 5.119 1.00 0.00 C ATOM 1439 C PRO A 95 -8.744 11.897 4.132 1.00 0.00 C ATOM 1440 O PRO A 95 -9.847 11.771 3.605 1.00 0.00 O ATOM 1441 CB PRO A 95 -9.269 13.001 6.396 1.00 0.00 C ATOM 1442 CG PRO A 95 -10.492 13.846 6.048 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.925 14.939 5.138 1.00 0.00 C ATOM 0 HA PRO A 95 -7.378 12.878 5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.550 11.984 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.722 13.418 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.255 13.257 5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.956 14.267 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.651 15.239 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.670 15.833 5.707 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.692 11.148 3.831 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.731 10.032 2.873 1.00 0.00 C ATOM 1453 C ALA A 96 -7.089 8.804 3.521 1.00 0.00 C ATOM 1454 O ALA A 96 -5.912 8.834 3.890 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.993 10.428 1.590 1.00 0.00 C ATOM 0 H ALA A 96 -6.772 11.294 4.246 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.762 9.794 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.023 9.600 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.474 11.301 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.956 10.666 1.826 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.967 7.897 3.947 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.558 6.601 4.519 1.00 0.00 C ATOM 1463 C LYS A 97 -6.517 5.881 3.648 1.00 0.00 C ATOM 1464 O LYS A 97 -6.408 6.105 2.441 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.763 5.687 4.757 1.00 0.00 C ATOM 1466 CG LYS A 97 -8.875 5.368 6.252 1.00 0.00 C ATOM 1467 CD LYS A 97 -9.769 4.155 6.530 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.244 4.521 6.711 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.108 3.736 5.817 1.00 0.00 N ATOM 0 H LYS A 97 -8.977 8.032 3.909 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.093 6.825 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.675 6.172 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.653 4.766 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.880 5.181 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.274 6.236 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.676 3.447 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.414 3.649 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.538 4.349 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.383 5.584 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.100 4.009 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.843 3.920 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.993 2.723 6.024 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.734 5.062 4.334 1.00 0.00 N ATOM 1484 CA LEU A 98 -4.549 4.405 3.768 1.00 0.00 C ATOM 1485 C LEU A 98 -4.415 2.955 4.230 1.00 0.00 C ATOM 1486 O LEU A 98 -4.851 2.571 5.315 1.00 0.00 O ATOM 1487 CB LEU A 98 -3.254 5.211 4.016 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.903 5.767 5.407 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -3.886 6.833 5.860 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.844 4.691 6.478 1.00 0.00 C ATOM 0 H LEU A 98 -5.900 4.827 5.313 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.700 4.380 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.423 4.575 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.274 6.060 3.332 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.911 6.203 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.599 7.197 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.877 7.661 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.888 6.407 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.592 5.145 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.814 4.199 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.084 3.956 6.214 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.811 2.167 3.364 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.618 0.735 3.616 1.00 0.00 C ATOM 1504 C PHE A 99 -2.136 0.379 3.516 1.00 0.00 C ATOM 1505 O PHE A 99 -1.397 0.964 2.723 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.470 -0.058 2.622 1.00 0.00 C ATOM 1507 CG PHE A 99 -4.043 0.114 1.166 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.355 1.275 0.465 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.296 -0.887 0.558 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.913 1.439 -0.835 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.855 -0.725 -0.745 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.160 0.441 -1.442 1.00 0.00 C ATOM 0 H PHE A 99 -3.439 2.488 2.470 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.939 0.479 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.423 -1.116 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.511 0.250 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.943 2.049 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.059 -1.790 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.153 2.341 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.275 -1.503 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.811 0.570 -2.456 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.751 -0.516 4.424 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.375 -1.024 4.478 1.00 0.00 C ATOM 1524 C GLY A 100 -0.373 -2.533 4.255 1.00 0.00 C ATOM 1525 O GLY A 100 -1.271 -3.270 4.671 1.00 0.00 O ATOM 0 H GLY A 100 -2.370 -0.907 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.234 -0.534 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.072 -0.789 5.444 1.00 0.00 H new ATOM 1529 N PHE A 101 0.675 -2.946 3.571 1.00 0.00 N ATOM 1530 CA PHE A 101 0.898 -4.365 3.284 1.00 0.00 C ATOM 1531 C PHE A 101 2.354 -4.764 3.522 1.00 0.00 C ATOM 1532 O PHE A 101 3.274 -3.955 3.396 1.00 0.00 O ATOM 1533 CB PHE A 101 0.438 -4.702 1.861 1.00 0.00 C ATOM 1534 CG PHE A 101 1.236 -4.022 0.765 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.524 -4.466 0.473 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.695 -2.909 0.135 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.288 -3.779 -0.441 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.456 -2.230 -0.791 1.00 0.00 C ATOM 1539 CZ PHE A 101 2.748 -2.660 -1.066 1.00 0.00 C ATOM 0 H PHE A 101 1.392 -2.324 3.199 1.00 0.00 H new ATOM 0 HA PHE A 101 0.296 -4.952 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.497 -5.781 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.611 -4.423 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.920 -5.344 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.307 -2.581 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.292 -4.104 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.050 -1.368 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.346 -2.114 -1.780 1.00 0.00 H new ATOM 1549 N VAL A 102 2.507 -6.041 3.822 1.00 0.00 N ATOM 1550 CA VAL A 102 3.824 -6.678 4.004 1.00 0.00 C ATOM 1551 C VAL A 102 4.210 -7.566 2.823 1.00 0.00 C ATOM 1552 O VAL A 102 3.534 -8.541 2.507 1.00 0.00 O ATOM 1553 CB VAL A 102 3.961 -7.435 5.332 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.380 -6.423 6.379 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.674 -8.099 5.826 1.00 0.00 C ATOM 0 H VAL A 102 1.723 -6.681 3.950 1.00 0.00 H new ATOM 0 HA VAL A 102 4.533 -5.851 4.044 1.00 0.00 H new ATOM 0 HB VAL A 102 4.682 -8.236 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.489 -6.921 7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.331 -5.975 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.621 -5.644 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.867 -8.610 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.907 -7.339 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.330 -8.822 5.086 1.00 0.00 H new ATOM 1565 N ALA A 103 5.282 -7.139 2.168 1.00 0.00 N ATOM 1566 CA ALA A 103 5.806 -7.795 0.958 1.00 0.00 C ATOM 1567 C ALA A 103 6.972 -8.736 1.306 1.00 0.00 C ATOM 1568 O ALA A 103 8.043 -8.270 1.693 1.00 0.00 O ATOM 1569 CB ALA A 103 6.236 -6.698 -0.023 1.00 0.00 C ATOM 0 H ALA A 103 5.822 -6.323 2.456 1.00 0.00 H new ATOM 0 HA ALA A 103 5.036 -8.414 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.629 -7.155 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.376 -6.076 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.008 -6.081 0.437 1.00 0.00 H new ATOM 1575 N ARG A 104 6.627 -10.016 1.417 1.00 0.00 N ATOM 1576 CA ARG A 104 7.524 -11.136 1.758 1.00 0.00 C ATOM 1577 C ARG A 104 7.356 -12.349 0.816 1.00 0.00 C ATOM 1578 O ARG A 104 6.371 -13.082 0.871 1.00 0.00 O ATOM 1579 CB ARG A 104 7.253 -11.519 3.221 1.00 0.00 C ATOM 1580 CG ARG A 104 8.020 -12.737 3.749 1.00 0.00 C ATOM 1581 CD ARG A 104 9.510 -12.593 3.453 1.00 0.00 C ATOM 1582 NE ARG A 104 10.342 -13.244 4.470 1.00 0.00 N ATOM 1583 CZ ARG A 104 10.620 -14.544 4.573 1.00 0.00 C ATOM 1584 NH1 ARG A 104 10.260 -15.428 3.649 1.00 0.00 N ATOM 1585 NH2 ARG A 104 11.342 -14.961 5.598 1.00 0.00 N ATOM 0 H ARG A 104 5.667 -10.325 1.265 1.00 0.00 H new ATOM 0 HA ARG A 104 8.558 -10.818 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.493 -10.662 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.186 -11.709 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.864 -12.836 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.636 -13.646 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 104 9.728 -13.025 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.767 -11.535 3.398 1.00 0.00 H new ATOM 0 HE ARG A 104 10.754 -12.635 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 104 9.750 -15.121 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 104 10.493 -16.414 3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 104 11.676 -14.292 6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 104 11.566 -15.951 5.695 1.00 0.00 H new ATOM 1684 N ASP A 111 13.244 -10.223 5.270 1.00 0.00 N ATOM 1685 CA ASP A 111 13.080 -8.759 5.150 1.00 0.00 C ATOM 1686 C ASP A 111 11.928 -8.371 4.218 1.00 0.00 C ATOM 1687 O ASP A 111 11.941 -8.640 3.023 1.00 0.00 O ATOM 1688 CB ASP A 111 14.381 -8.053 4.727 1.00 0.00 C ATOM 1689 CG ASP A 111 15.113 -8.684 3.536 1.00 0.00 C ATOM 1690 OD1 ASP A 111 14.601 -8.556 2.403 1.00 0.00 O ATOM 1691 OD2 ASP A 111 16.209 -9.231 3.784 1.00 0.00 O ATOM 0 HA ASP A 111 12.825 -8.411 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.149 -7.017 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.059 -8.035 5.580 1.00 0.00 H new ATOM 1696 N ASN A 112 10.867 -7.888 4.846 1.00 0.00 N ATOM 1697 CA ASN A 112 9.693 -7.382 4.114 1.00 0.00 C ATOM 1698 C ASN A 112 9.740 -5.851 4.000 1.00 0.00 C ATOM 1699 O ASN A 112 10.315 -5.182 4.861 1.00 0.00 O ATOM 1700 CB ASN A 112 8.391 -7.857 4.783 1.00 0.00 C ATOM 1701 CG ASN A 112 7.989 -7.076 6.037 1.00 0.00 C ATOM 1702 OD1 ASN A 112 7.788 -5.869 6.033 1.00 0.00 O ATOM 1703 ND2 ASN A 112 7.816 -7.756 7.141 1.00 0.00 N ATOM 0 H ASN A 112 10.785 -7.831 5.861 1.00 0.00 H new ATOM 0 HA ASN A 112 9.715 -7.788 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 112 7.581 -7.791 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.498 -8.909 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.515 -7.280 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.982 -8.762 7.151 1.00 0.00 H new ATOM 1710 N VAL A 113 9.002 -5.349 3.018 1.00 0.00 N ATOM 1711 CA VAL A 113 8.739 -3.907 2.850 1.00 0.00 C ATOM 1712 C VAL A 113 7.263 -3.640 3.189 1.00 0.00 C ATOM 1713 O VAL A 113 6.362 -4.242 2.599 1.00 0.00 O ATOM 1714 CB VAL A 113 9.185 -3.459 1.436 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.134 -2.754 0.570 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.352 -2.486 1.557 1.00 0.00 C ATOM 0 H VAL A 113 8.561 -5.928 2.304 1.00 0.00 H new ATOM 0 HA VAL A 113 9.325 -3.296 3.537 1.00 0.00 H new ATOM 0 HB VAL A 113 9.426 -4.399 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.572 -2.493 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.285 -3.420 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.796 -1.848 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.667 -2.170 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.041 -1.615 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.184 -2.977 2.062 1.00 0.00 H new ATOM 1726 N CYS A 114 7.058 -2.805 4.198 1.00 0.00 N ATOM 1727 CA CYS A 114 5.705 -2.351 4.538 1.00 0.00 C ATOM 1728 C CYS A 114 5.393 -1.049 3.794 1.00 0.00 C ATOM 1729 O CYS A 114 5.957 0.007 4.076 1.00 0.00 O ATOM 1730 CB CYS A 114 5.558 -2.211 6.050 1.00 0.00 C ATOM 1731 SG CYS A 114 3.847 -2.624 6.533 1.00 0.00 S ATOM 0 H CYS A 114 7.797 -2.429 4.792 1.00 0.00 H new ATOM 0 HA CYS A 114 4.974 -3.093 4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.261 -2.872 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.799 -1.193 6.357 1.00 0.00 H new ATOM 0 HG CYS A 114 3.252 -3.230 5.548 1.00 0.00 H new ATOM 1737 N HIS A 115 4.695 -1.235 2.683 1.00 0.00 N ATOM 1738 CA HIS A 115 4.309 -0.112 1.816 1.00 0.00 C ATOM 1739 C HIS A 115 2.882 0.325 2.136 1.00 0.00 C ATOM 1740 O HIS A 115 1.972 -0.490 2.307 1.00 0.00 O ATOM 1741 CB HIS A 115 4.381 -0.559 0.369 1.00 0.00 C ATOM 1742 CG HIS A 115 5.291 0.234 -0.571 1.00 0.00 C ATOM 1743 ND1 HIS A 115 5.983 -0.319 -1.553 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.464 1.550 -0.610 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.617 0.657 -2.205 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.293 1.801 -1.621 1.00 0.00 N ATOM 0 H HIS A 115 4.381 -2.148 2.354 1.00 0.00 H new ATOM 0 HA HIS A 115 4.986 0.725 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.707 -1.599 0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.371 -0.535 -0.041 1.00 0.00 H new ATOM 0 HD1 HIS A 115 6.025 -1.314 -1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.018 2.277 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.274 0.537 -3.054 1.00 0.00 H new ATOM 1754 N LEU A 116 2.789 1.630 2.325 1.00 0.00 N ATOM 1755 CA LEU A 116 1.530 2.292 2.700 1.00 0.00 C ATOM 1756 C LEU A 116 1.104 3.243 1.579 1.00 0.00 C ATOM 1757 O LEU A 116 1.936 3.827 0.881 1.00 0.00 O ATOM 1758 CB LEU A 116 1.745 3.068 4.002 1.00 0.00 C ATOM 1759 CG LEU A 116 2.425 2.209 5.070 1.00 0.00 C ATOM 1760 CD1 LEU A 116 3.574 2.992 5.705 1.00 0.00 C ATOM 1761 CD2 LEU A 116 1.414 1.739 6.110 1.00 0.00 C ATOM 0 H LEU A 116 3.578 2.269 2.225 1.00 0.00 H new ATOM 0 HA LEU A 116 0.745 1.551 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.354 3.950 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.785 3.422 4.377 1.00 0.00 H new ATOM 0 HG LEU A 116 2.840 1.316 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.056 2.378 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.301 3.257 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.185 3.900 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.919 1.130 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.959 2.604 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.640 1.146 5.623 1.00 0.00 H new ATOM 1773 N PHE A 117 -0.209 3.306 1.399 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.838 4.119 0.341 1.00 0.00 C ATOM 1775 C PHE A 117 -2.198 4.662 0.768 1.00 0.00 C ATOM 1776 O PHE A 117 -3.041 3.899 1.240 1.00 0.00 O ATOM 1777 CB PHE A 117 -1.047 3.272 -0.914 1.00 0.00 C ATOM 1778 CG PHE A 117 0.274 2.824 -1.525 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.982 3.719 -2.313 1.00 0.00 C ATOM 1780 CD2 PHE A 117 0.773 1.550 -1.281 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.193 3.351 -2.869 1.00 0.00 C ATOM 1782 CE2 PHE A 117 1.991 1.186 -1.832 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.704 2.087 -2.618 1.00 0.00 C ATOM 0 H PHE A 117 -0.877 2.798 1.978 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.167 4.955 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.647 2.397 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.611 3.846 -1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.586 4.707 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.219 0.853 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.737 4.043 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.389 0.199 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.659 1.800 -3.034 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.430 5.924 0.429 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.710 6.599 0.711 1.00 0.00 C ATOM 1795 C ALA A 118 -4.571 6.677 -0.553 1.00 0.00 C ATOM 1796 O ALA A 118 -4.063 6.829 -1.666 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.462 8.005 1.266 1.00 0.00 C ATOM 0 H ALA A 118 -1.747 6.513 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.245 6.015 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.417 8.490 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.887 7.935 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.905 8.592 0.535 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.871 6.488 -0.355 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.864 6.590 -1.443 1.00 0.00 C ATOM 1805 C GLU A 119 -6.807 7.976 -2.106 1.00 0.00 C ATOM 1806 O GLU A 119 -6.664 8.985 -1.422 1.00 0.00 O ATOM 1807 CB GLU A 119 -8.270 6.264 -0.916 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.870 7.225 0.123 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.760 8.293 -0.526 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.901 7.914 -0.868 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.293 9.440 -0.667 1.00 0.00 O ATOM 0 H GLU A 119 -6.274 6.261 0.554 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.621 5.856 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.949 6.221 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.244 5.266 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.455 6.657 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.065 7.711 0.675 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.765 7.963 -3.432 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.791 9.215 -4.212 1.00 0.00 C ATOM 1820 C LEU A 120 -8.135 9.470 -4.889 1.00 0.00 C ATOM 1821 O LEU A 120 -8.774 10.494 -4.662 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.681 9.227 -5.262 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.430 9.946 -4.772 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -3.325 9.697 -5.789 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.671 11.455 -4.655 1.00 0.00 C ATOM 0 H LEU A 120 -6.713 7.114 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.628 10.019 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.427 8.202 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.045 9.712 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.158 9.569 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.413 10.200 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.139 8.626 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.630 10.087 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.762 11.942 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.944 11.857 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.479 11.641 -3.947 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.581 8.475 -5.652 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.901 8.534 -6.296 1.00 0.00 C ATOM 1839 C ASP A 121 -11.018 8.265 -5.274 1.00 0.00 C ATOM 1840 O ASP A 121 -11.002 7.211 -4.635 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.990 7.560 -7.477 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.448 8.168 -8.777 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -9.732 9.362 -9.017 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.741 7.424 -9.488 1.00 0.00 O ATOM 0 H ASP A 121 -8.056 7.621 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 121 -10.036 9.541 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.430 6.655 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -11.029 7.264 -7.623 1.00 0.00 H new ATOM 1849 N PRO A 122 -12.039 9.131 -5.233 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.240 8.906 -4.404 1.00 0.00 C ATOM 1851 C PRO A 122 -14.109 7.732 -4.896 1.00 0.00 C ATOM 1852 O PRO A 122 -14.907 7.194 -4.136 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.966 10.252 -4.405 1.00 0.00 C ATOM 1854 CG PRO A 122 -13.597 10.857 -5.759 1.00 0.00 C ATOM 1855 CD PRO A 122 -12.154 10.400 -5.985 1.00 0.00 C ATOM 0 HA PRO A 122 -12.981 8.595 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -15.044 10.126 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.639 10.885 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.258 10.500 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.674 11.944 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.947 10.252 -7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.442 11.141 -5.622 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.823 7.253 -6.110 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.453 6.056 -6.713 1.00 0.00 C ATOM 1865 C ASP A 123 -13.687 4.748 -6.449 1.00 0.00 C ATOM 1866 O ASP A 123 -14.147 3.666 -6.808 1.00 0.00 O ATOM 1867 CB ASP A 123 -14.619 6.251 -8.225 1.00 0.00 C ATOM 1868 CG ASP A 123 -15.978 6.843 -8.610 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -16.994 6.397 -8.032 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -15.972 7.701 -9.519 1.00 0.00 O ATOM 0 H ASP A 123 -13.133 7.690 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.424 5.954 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -13.828 6.906 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.493 5.291 -8.725 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.545 4.874 -5.772 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.673 3.747 -5.396 1.00 0.00 C ATOM 1877 C GLN A 124 -10.968 4.041 -4.057 1.00 0.00 C ATOM 1878 O GLN A 124 -9.812 4.473 -4.031 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.652 3.413 -6.492 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.118 2.253 -7.377 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.818 2.664 -8.676 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -11.913 3.823 -9.069 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -12.252 1.668 -9.415 1.00 0.00 N ATOM 0 H GLN A 124 -12.188 5.778 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.306 2.868 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.482 4.295 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.697 3.157 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.253 1.638 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.798 1.627 -6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -12.168 0.709 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.673 1.854 -10.325 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.700 3.899 -2.943 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.117 4.056 -1.600 1.00 0.00 C ATOM 1894 C PRO A 125 -10.160 2.904 -1.280 1.00 0.00 C ATOM 1895 O PRO A 125 -10.230 1.823 -1.862 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.311 4.129 -0.646 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.402 3.340 -1.366 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.152 3.639 -2.846 1.00 0.00 C ATOM 0 HA PRO A 125 -10.506 4.954 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.075 3.692 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.616 5.160 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.329 2.273 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.397 3.659 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.445 2.798 -3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.731 4.501 -3.178 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.368 3.125 -0.238 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.367 2.153 0.232 1.00 0.00 C ATOM 1908 C ALA A 126 -9.019 0.832 0.677 1.00 0.00 C ATOM 1909 O ALA A 126 -8.615 -0.225 0.211 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.552 2.805 1.347 1.00 0.00 C ATOM 0 H ALA A 126 -9.396 3.984 0.312 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.700 1.885 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.803 2.101 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.056 3.696 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.215 3.085 2.166 1.00 0.00 H new ATOM 1916 N ALA A 127 -10.165 0.930 1.357 1.00 0.00 N ATOM 1917 CA ALA A 127 -11.034 -0.224 1.676 1.00 0.00 C ATOM 1918 C ALA A 127 -11.462 -1.042 0.449 1.00 0.00 C ATOM 1919 O ALA A 127 -11.161 -2.226 0.406 1.00 0.00 O ATOM 1920 CB ALA A 127 -12.257 0.230 2.476 1.00 0.00 C ATOM 0 H ALA A 127 -10.526 1.817 1.708 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.428 -0.896 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.885 -0.632 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.931 0.695 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.828 0.951 1.891 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.860 -0.365 -0.629 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.185 -1.025 -1.914 1.00 0.00 C ATOM 1928 C ALA A 128 -10.953 -1.649 -2.594 1.00 0.00 C ATOM 1929 O ALA A 128 -11.030 -2.750 -3.134 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.868 -0.044 -2.868 1.00 0.00 C ATOM 0 H ALA A 128 -11.969 0.649 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.870 -1.839 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.098 -0.549 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.791 0.320 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.203 0.797 -3.063 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.794 -1.042 -2.353 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.483 -1.539 -2.814 1.00 0.00 C ATOM 1938 C ILE A 129 -7.979 -2.720 -1.963 1.00 0.00 C ATOM 1939 O ILE A 129 -7.336 -3.608 -2.505 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.516 -0.341 -2.973 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.835 0.445 -4.259 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.018 -0.670 -2.866 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.713 -0.344 -5.575 1.00 0.00 C ATOM 0 H ILE A 129 -9.729 -0.173 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.566 -1.986 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.703 0.287 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.851 0.832 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.169 1.306 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.435 0.242 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.809 -1.101 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.746 -1.385 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.960 0.307 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.692 -0.709 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.401 -1.190 -5.557 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.424 -2.798 -0.712 1.00 0.00 N ATOM 1956 CA VAL A 130 -8.119 -3.881 0.244 1.00 0.00 C ATOM 1957 C VAL A 130 -9.129 -5.040 0.186 1.00 0.00 C ATOM 1958 O VAL A 130 -8.792 -6.185 0.471 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.941 -3.241 1.630 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -8.172 -4.170 2.827 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.509 -2.714 1.692 1.00 0.00 C ATOM 0 H VAL A 130 -9.032 -2.084 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.186 -4.376 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.705 -2.469 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.020 -3.615 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.191 -4.555 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.469 -5.002 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.334 -2.249 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.811 -3.540 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.358 -1.977 0.903 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.359 -4.710 -0.180 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.441 -5.682 -0.393 1.00 0.00 C ATOM 1973 C ASN A 131 -11.227 -6.467 -1.696 1.00 0.00 C ATOM 1974 O ASN A 131 -11.512 -7.658 -1.767 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.783 -4.946 -0.402 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.926 -5.948 -0.548 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -14.470 -6.167 -1.620 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.242 -6.629 0.529 1.00 0.00 N ATOM 0 H ASN A 131 -10.646 -3.745 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.439 -6.407 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.902 -4.378 0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.809 -4.230 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.954 -7.357 0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.775 -6.430 1.414 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.646 -5.774 -2.668 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.275 -6.340 -3.967 1.00 0.00 C ATOM 1987 C PHE A 132 -8.900 -7.026 -3.908 1.00 0.00 C ATOM 1988 O PHE A 132 -8.805 -8.190 -4.277 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.348 -5.187 -4.976 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.621 -5.470 -6.280 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -8.241 -5.309 -6.284 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -10.277 -5.946 -7.408 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -7.530 -5.662 -7.399 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -9.554 -6.253 -8.551 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.167 -6.128 -8.543 1.00 0.00 C ATOM 0 H PHE A 132 -10.414 -4.785 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.956 -7.134 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.394 -4.971 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.925 -4.291 -4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.735 -4.910 -5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.349 -6.077 -7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -6.453 -5.577 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -10.064 -6.587 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.591 -6.391 -9.418 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.888 -6.375 -3.329 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.516 -6.938 -3.282 1.00 0.00 C ATOM 2007 C VAL A 133 -6.462 -8.269 -2.503 1.00 0.00 C ATOM 2008 O VAL A 133 -5.678 -9.152 -2.832 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.507 -5.888 -2.773 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.535 -5.659 -1.258 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.093 -6.168 -3.281 1.00 0.00 C ATOM 0 H VAL A 133 -7.981 -5.461 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.217 -7.188 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.841 -4.944 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.794 -4.906 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.526 -5.315 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.305 -6.593 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.412 -5.406 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.770 -7.150 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.087 -6.148 -4.371 1.00 0.00 H new ATOM 2021 N SER A 134 -7.374 -8.383 -1.539 1.00 0.00 N ATOM 2022 CA SER A 134 -7.566 -9.591 -0.713 1.00 0.00 C ATOM 2023 C SER A 134 -8.485 -10.630 -1.385 1.00 0.00 C ATOM 2024 O SER A 134 -8.312 -11.828 -1.189 1.00 0.00 O ATOM 2025 CB SER A 134 -8.135 -9.170 0.642 1.00 0.00 C ATOM 2026 OG SER A 134 -7.627 -10.020 1.668 1.00 0.00 O ATOM 0 H SER A 134 -8.017 -7.628 -1.299 1.00 0.00 H new ATOM 0 HA SER A 134 -6.598 -10.076 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.869 -8.134 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.224 -9.222 0.621 1.00 0.00 H new ATOM 0 HG SER A 134 -7.994 -9.744 2.534 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.378 -10.171 -2.266 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.274 -11.053 -3.046 1.00 0.00 C ATOM 2034 C ARG A 135 -9.569 -11.659 -4.274 1.00 0.00 C ATOM 2035 O ARG A 135 -9.679 -12.851 -4.555 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.542 -10.295 -3.469 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.471 -11.185 -4.306 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.883 -11.305 -3.731 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.673 -10.104 -4.051 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.162 -9.767 -5.251 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -14.946 -10.499 -6.338 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -15.859 -8.652 -5.378 1.00 0.00 N ATOM 0 H ARG A 135 -9.506 -9.179 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.557 -11.881 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -12.072 -9.945 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.265 -9.412 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.532 -10.783 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.034 -12.180 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.374 -12.189 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.832 -11.437 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.867 -9.464 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.390 -11.352 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.336 -10.208 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.021 -8.056 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.236 -8.387 -6.288 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.846 -10.800 -4.986 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.098 -11.144 -6.216 1.00 0.00 C ATOM 2058 C VAL A 136 -6.941 -12.103 -5.906 1.00 0.00 C ATOM 2059 O VAL A 136 -6.614 -12.965 -6.716 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.644 -9.857 -6.928 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.828 -10.095 -8.205 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.904 -9.101 -7.336 1.00 0.00 C ATOM 0 H VAL A 136 -8.754 -9.818 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.753 -11.679 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.001 -9.317 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.549 -9.136 -8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.927 -10.658 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.427 -10.659 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.626 -8.179 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.499 -9.721 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.489 -8.862 -6.448 1.00 0.00 H new ATOM 2072 N MET A 137 -6.464 -12.021 -4.670 1.00 0.00 N ATOM 2073 CA MET A 137 -5.427 -12.922 -4.155 1.00 0.00 C ATOM 2074 C MET A 137 -6.036 -14.093 -3.359 1.00 0.00 C ATOM 2075 O MET A 137 -5.460 -14.548 -2.373 1.00 0.00 O ATOM 2076 CB MET A 137 -4.492 -12.053 -3.313 1.00 0.00 C ATOM 2077 CG MET A 137 -3.035 -12.397 -3.611 1.00 0.00 C ATOM 2078 SD MET A 137 -2.453 -13.966 -2.879 1.00 0.00 S ATOM 2079 CE MET A 137 -1.343 -13.282 -1.671 1.00 0.00 C ATOM 0 H MET A 137 -6.782 -11.329 -3.992 1.00 0.00 H new ATOM 0 HA MET A 137 -4.873 -13.399 -4.963 1.00 0.00 H new ATOM 0 HB2 MET A 137 -4.674 -11.000 -3.525 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.699 -12.205 -2.254 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.901 -12.445 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.403 -11.586 -3.247 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.545 -13.995 -1.465 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.913 -12.357 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.890 -13.074 -0.751 1.00 0.00 H new