USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 TYR OH : rot -1:sc= 0.45 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=0.45,f=0.3) USER MOD Set 2.1: A 14 SER OG : rot -80:sc= 0.0573 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.0344 X(o=0.092,f=0.023) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -140:sc= -0.929 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.3 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -0.0183 (180deg=-1.15) USER MOD Single : A 36 CYS SG : rot 21:sc= 0.441 USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -2.62 (180deg=-5.18!) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00138 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -2.01 USER MOD Single : A 49 MET CE :methyl -150:sc= -3.95 (180deg=-4.33!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc=-0.00296 USER MOD Single : A 62 SER OG : rot -178:sc= 0.621 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -92:sc= 0.0387 USER MOD Single : A 87 HIS : no HD1:sc= -0.723 X(o=-0.72,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.743 -9.074 10.399 1.00 0.00 N ATOM 60 CA GLY A 7 0.578 -8.028 9.405 1.00 0.00 C ATOM 61 C GLY A 7 1.000 -6.668 9.965 1.00 0.00 C ATOM 62 O GLY A 7 1.481 -6.580 11.094 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.173 -8.263 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.463 -7.986 9.085 1.00 0.00 H new ATOM 66 N VAL A 8 0.804 -5.641 9.151 1.00 0.00 N ATOM 67 CA VAL A 8 1.157 -4.290 9.552 1.00 0.00 C ATOM 68 C VAL A 8 0.066 -3.323 9.087 1.00 0.00 C ATOM 69 O VAL A 8 -0.357 -3.368 7.933 1.00 0.00 O ATOM 70 CB VAL A 8 2.544 -3.931 9.013 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.625 -4.201 10.061 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.838 -4.681 7.713 1.00 0.00 C ATOM 0 H VAL A 8 0.405 -5.718 8.215 1.00 0.00 H new ATOM 0 HA VAL A 8 1.215 -4.216 10.638 1.00 0.00 H new ATOM 0 HB VAL A 8 2.552 -2.864 8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.601 -3.938 9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.429 -3.600 10.949 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.617 -5.258 10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.829 -4.408 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.802 -5.755 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.093 -4.416 6.963 1.00 0.00 H new ATOM 82 N MET A 9 -0.357 -2.471 10.010 1.00 0.00 N ATOM 83 CA MET A 9 -1.391 -1.495 9.709 1.00 0.00 C ATOM 84 C MET A 9 -0.787 -0.229 9.097 1.00 0.00 C ATOM 85 O MET A 9 0.017 0.450 9.734 1.00 0.00 O ATOM 86 CB MET A 9 -2.141 -1.134 10.993 1.00 0.00 C ATOM 87 CG MET A 9 -3.273 -2.128 11.264 1.00 0.00 C ATOM 88 SD MET A 9 -3.277 -2.593 12.987 1.00 0.00 S ATOM 89 CE MET A 9 -4.419 -3.964 12.935 1.00 0.00 C ATOM 0 H MET A 9 -0.003 -2.436 10.966 1.00 0.00 H new ATOM 0 HA MET A 9 -2.080 -1.933 8.986 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.448 -1.128 11.834 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.549 -0.127 10.909 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.231 -1.682 10.997 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.148 -3.013 10.640 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.538 -4.376 13.937 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.385 -3.619 12.567 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.032 -4.735 12.269 1.00 0.00 H new ATOM 99 N VAL A 10 -1.199 0.050 7.869 1.00 0.00 N ATOM 100 CA VAL A 10 -0.709 1.222 7.164 1.00 0.00 C ATOM 101 C VAL A 10 -1.898 2.063 6.695 1.00 0.00 C ATOM 102 O VAL A 10 -2.969 1.528 6.411 1.00 0.00 O ATOM 103 CB VAL A 10 0.211 0.797 6.018 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.417 0.016 6.544 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.555 -0.016 4.972 1.00 0.00 C ATOM 0 H VAL A 10 -1.867 -0.515 7.344 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.111 1.845 7.829 1.00 0.00 H new ATOM 0 HB VAL A 10 0.582 1.700 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.055 -0.274 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.984 0.642 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.073 -0.877 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.122 -0.305 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.969 -0.910 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.365 0.588 4.564 1.00 0.00 H new ATOM 115 N PHE A 11 -1.670 3.367 6.629 1.00 0.00 N ATOM 116 CA PHE A 11 -2.709 4.287 6.199 1.00 0.00 C ATOM 117 C PHE A 11 -2.637 4.530 4.690 1.00 0.00 C ATOM 118 O PHE A 11 -1.778 5.273 4.218 1.00 0.00 O ATOM 119 CB PHE A 11 -2.465 5.610 6.929 1.00 0.00 C ATOM 120 CG PHE A 11 -3.071 5.668 8.332 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.380 5.348 8.521 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.302 6.040 9.390 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.943 5.402 9.824 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.865 6.094 10.693 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.174 5.774 10.882 1.00 0.00 C ATOM 0 H PHE A 11 -0.781 3.808 6.866 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.691 3.872 6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.391 5.780 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.877 6.424 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.991 5.053 7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.263 6.294 9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.982 5.148 9.974 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.254 6.389 11.533 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.602 5.815 11.873 1.00 0.00 H new ATOM 135 N ILE A 12 -3.551 3.889 3.976 1.00 0.00 N ATOM 136 CA ILE A 12 -3.602 4.026 2.530 1.00 0.00 C ATOM 137 C ILE A 12 -4.400 5.280 2.169 1.00 0.00 C ATOM 138 O ILE A 12 -5.358 5.631 2.857 1.00 0.00 O ATOM 139 CB ILE A 12 -4.144 2.747 1.890 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.437 1.511 2.450 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.053 2.816 0.364 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.036 1.363 1.853 1.00 0.00 C ATOM 0 H ILE A 12 -4.262 3.274 4.372 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.599 4.158 2.124 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.200 2.658 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.368 1.588 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.026 0.620 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.445 1.894 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.637 3.662 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.012 2.941 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.555 0.477 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.111 1.262 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.442 2.245 2.095 1.00 0.00 H new ATOM 154 N SER A 13 -3.977 5.922 1.090 1.00 0.00 N ATOM 155 CA SER A 13 -4.641 7.130 0.629 1.00 0.00 C ATOM 156 C SER A 13 -4.504 7.255 -0.890 1.00 0.00 C ATOM 157 O SER A 13 -3.908 6.394 -1.536 1.00 0.00 O ATOM 158 CB SER A 13 -4.068 8.370 1.317 1.00 0.00 C ATOM 159 OG SER A 13 -4.877 9.523 1.100 1.00 0.00 O ATOM 0 H SER A 13 -3.183 5.629 0.521 1.00 0.00 H new ATOM 0 HA SER A 13 -5.697 7.060 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.982 8.184 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.061 8.558 0.945 1.00 0.00 H new ATOM 0 HG SER A 13 -4.478 10.293 1.557 1.00 0.00 H new ATOM 165 N SER A 14 -5.064 8.334 -1.416 1.00 0.00 N ATOM 166 CA SER A 14 -5.012 8.583 -2.846 1.00 0.00 C ATOM 167 C SER A 14 -5.526 9.991 -3.152 1.00 0.00 C ATOM 168 O SER A 14 -6.301 10.554 -2.380 1.00 0.00 O ATOM 169 CB SER A 14 -5.826 7.542 -3.617 1.00 0.00 C ATOM 170 OG SER A 14 -7.215 7.613 -3.305 1.00 0.00 O ATOM 0 H SER A 14 -5.556 9.046 -0.877 1.00 0.00 H new ATOM 0 HA SER A 14 -3.974 8.504 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.687 7.693 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.453 6.545 -3.384 1.00 0.00 H new ATOM 0 HG SER A 14 -7.384 7.153 -2.456 1.00 0.00 H new ATOM 176 N SER A 15 -5.074 10.520 -4.279 1.00 0.00 N ATOM 177 CA SER A 15 -5.479 11.852 -4.696 1.00 0.00 C ATOM 178 C SER A 15 -6.930 11.831 -5.180 1.00 0.00 C ATOM 179 O SER A 15 -7.523 12.881 -5.420 1.00 0.00 O ATOM 180 CB SER A 15 -4.560 12.388 -5.796 1.00 0.00 C ATOM 181 OG SER A 15 -4.190 13.745 -5.569 1.00 0.00 O ATOM 0 H SER A 15 -4.431 10.051 -4.917 1.00 0.00 H new ATOM 0 HA SER A 15 -5.399 12.518 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.662 11.772 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.062 12.306 -6.760 1.00 0.00 H new ATOM 0 HG SER A 15 -3.602 14.049 -6.292 1.00 0.00 H new ATOM 187 N LEU A 16 -7.460 10.623 -5.308 1.00 0.00 N ATOM 188 CA LEU A 16 -8.830 10.451 -5.758 1.00 0.00 C ATOM 189 C LEU A 16 -9.781 10.656 -4.577 1.00 0.00 C ATOM 190 O LEU A 16 -10.671 11.502 -4.631 1.00 0.00 O ATOM 191 CB LEU A 16 -8.999 9.100 -6.456 1.00 0.00 C ATOM 192 CG LEU A 16 -8.063 8.833 -7.637 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.599 7.375 -7.650 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.718 9.238 -8.959 1.00 0.00 C ATOM 0 H LEU A 16 -6.965 9.754 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.082 11.204 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.854 8.311 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.028 9.022 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.175 9.453 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.935 7.212 -8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.066 7.155 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.465 6.718 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.031 9.038 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.633 8.664 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.956 10.301 -8.936 1.00 0.00 H new ATOM 206 N ASN A 17 -9.558 9.866 -3.536 1.00 0.00 N ATOM 207 CA ASN A 17 -10.384 9.950 -2.343 1.00 0.00 C ATOM 208 C ASN A 17 -10.143 11.296 -1.655 1.00 0.00 C ATOM 209 O ASN A 17 -9.326 12.094 -2.113 1.00 0.00 O ATOM 210 CB ASN A 17 -10.030 8.842 -1.350 1.00 0.00 C ATOM 211 CG ASN A 17 -10.861 7.584 -1.614 1.00 0.00 C ATOM 212 OD1 ASN A 17 -11.970 7.428 -1.129 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.265 6.698 -2.407 1.00 0.00 N ATOM 0 H ASN A 17 -8.818 9.165 -3.494 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.426 9.844 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.969 8.604 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.205 9.191 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.738 5.825 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.335 6.891 -2.779 1.00 0.00 H new ATOM 220 N SER A 18 -10.868 11.506 -0.567 1.00 0.00 N ATOM 221 CA SER A 18 -10.744 12.740 0.189 1.00 0.00 C ATOM 222 C SER A 18 -9.877 12.510 1.428 1.00 0.00 C ATOM 223 O SER A 18 -8.868 13.188 1.619 1.00 0.00 O ATOM 224 CB SER A 18 -12.117 13.279 0.594 1.00 0.00 C ATOM 225 OG SER A 18 -12.597 14.260 -0.321 1.00 0.00 O ATOM 0 H SER A 18 -11.544 10.842 -0.190 1.00 0.00 H new ATOM 0 HA SER A 18 -10.266 13.484 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.828 12.455 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.056 13.713 1.592 1.00 0.00 H new ATOM 0 HG SER A 18 -13.477 14.578 -0.028 1.00 0.00 H new ATOM 231 N PHE A 19 -10.301 11.552 2.238 1.00 0.00 N ATOM 232 CA PHE A 19 -9.576 11.224 3.454 1.00 0.00 C ATOM 233 C PHE A 19 -8.790 9.922 3.289 1.00 0.00 C ATOM 234 O PHE A 19 -8.889 9.259 2.258 1.00 0.00 O ATOM 235 CB PHE A 19 -10.617 11.041 4.560 1.00 0.00 C ATOM 236 CG PHE A 19 -10.738 12.237 5.506 1.00 0.00 C ATOM 237 CD1 PHE A 19 -9.844 12.396 6.519 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.738 13.142 5.334 1.00 0.00 C ATOM 239 CE1 PHE A 19 -9.956 13.506 7.397 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.849 14.253 6.212 1.00 0.00 C ATOM 241 CZ PHE A 19 -10.956 14.411 7.225 1.00 0.00 C ATOM 0 H PHE A 19 -11.138 10.992 2.076 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.867 12.018 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.588 10.853 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.362 10.155 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.049 11.678 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.448 13.016 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.247 13.632 8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.643 14.972 6.075 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.041 15.255 7.893 1.00 0.00 H new ATOM 251 N ARG A 20 -8.026 9.594 4.322 1.00 0.00 N ATOM 252 CA ARG A 20 -7.223 8.383 4.304 1.00 0.00 C ATOM 253 C ARG A 20 -8.071 7.179 4.718 1.00 0.00 C ATOM 254 O ARG A 20 -9.119 7.337 5.343 1.00 0.00 O ATOM 255 CB ARG A 20 -6.025 8.503 5.248 1.00 0.00 C ATOM 256 CG ARG A 20 -4.967 9.446 4.672 1.00 0.00 C ATOM 257 CD ARG A 20 -4.436 10.397 5.748 1.00 0.00 C ATOM 258 NE ARG A 20 -5.405 11.491 5.979 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.448 12.234 7.093 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.578 12.004 8.085 1.00 0.00 N ATOM 261 NH2 ARG A 20 -6.362 13.206 7.215 1.00 0.00 N ATOM 0 H ARG A 20 -7.947 10.146 5.176 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.857 8.242 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.357 8.872 6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.588 7.518 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.144 8.865 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.396 10.022 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.264 9.851 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.476 10.810 5.439 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.083 11.692 5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.883 11.263 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.611 12.570 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.025 13.380 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.395 13.772 8.063 1.00 0.00 H new ATOM 275 N SER A 21 -7.586 6.001 4.353 1.00 0.00 N ATOM 276 CA SER A 21 -8.286 4.770 4.678 1.00 0.00 C ATOM 277 C SER A 21 -7.447 3.931 5.645 1.00 0.00 C ATOM 278 O SER A 21 -6.285 4.244 5.896 1.00 0.00 O ATOM 279 CB SER A 21 -8.603 3.966 3.416 1.00 0.00 C ATOM 280 OG SER A 21 -9.872 4.313 2.867 1.00 0.00 O ATOM 0 H SER A 21 -6.717 5.873 3.835 1.00 0.00 H new ATOM 0 HA SER A 21 -9.230 5.030 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.826 4.139 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.588 2.902 3.651 1.00 0.00 H new ATOM 0 HG SER A 21 -10.037 3.779 2.062 1.00 0.00 H new ATOM 286 N GLU A 22 -8.070 2.882 6.161 1.00 0.00 N ATOM 287 CA GLU A 22 -7.396 1.995 7.094 1.00 0.00 C ATOM 288 C GLU A 22 -7.407 0.560 6.566 1.00 0.00 C ATOM 289 O GLU A 22 -8.400 -0.151 6.711 1.00 0.00 O ATOM 290 CB GLU A 22 -8.034 2.073 8.483 1.00 0.00 C ATOM 291 CG GLU A 22 -7.183 1.337 9.519 1.00 0.00 C ATOM 292 CD GLU A 22 -7.555 1.767 10.940 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.570 1.241 11.444 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.816 2.612 11.489 1.00 0.00 O ATOM 0 H GLU A 22 -9.035 2.626 5.951 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.359 2.319 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.149 3.116 8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.033 1.639 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.323 0.261 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.127 1.540 9.338 1.00 0.00 H new ATOM 301 N LYS A 23 -6.291 0.176 5.963 1.00 0.00 N ATOM 302 CA LYS A 23 -6.160 -1.162 5.412 1.00 0.00 C ATOM 303 C LYS A 23 -4.946 -1.850 6.039 1.00 0.00 C ATOM 304 O LYS A 23 -4.205 -1.235 6.804 1.00 0.00 O ATOM 305 CB LYS A 23 -6.116 -1.110 3.883 1.00 0.00 C ATOM 306 CG LYS A 23 -7.522 -0.952 3.300 1.00 0.00 C ATOM 307 CD LYS A 23 -8.021 -2.272 2.709 1.00 0.00 C ATOM 308 CE LYS A 23 -9.036 -2.024 1.591 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.134 -3.013 1.660 1.00 0.00 N ATOM 0 H LYS A 23 -5.469 0.768 5.844 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.033 -1.764 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.489 -0.278 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.659 -2.021 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.207 -0.616 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.515 -0.183 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.178 -2.842 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.478 -2.876 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.441 -1.016 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.541 -2.088 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.814 -2.831 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.745 -3.972 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.616 -2.933 2.578 1.00 0.00 H new ATOM 323 N ARG A 24 -4.779 -3.117 5.690 1.00 0.00 N ATOM 324 CA ARG A 24 -3.667 -3.896 6.209 1.00 0.00 C ATOM 325 C ARG A 24 -3.063 -4.761 5.102 1.00 0.00 C ATOM 326 O ARG A 24 -3.774 -5.220 4.209 1.00 0.00 O ATOM 327 CB ARG A 24 -4.116 -4.796 7.363 1.00 0.00 C ATOM 328 CG ARG A 24 -3.026 -5.807 7.725 1.00 0.00 C ATOM 329 CD ARG A 24 -3.486 -6.725 8.859 1.00 0.00 C ATOM 330 NE ARG A 24 -3.292 -8.141 8.474 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.139 -8.832 7.700 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.244 -8.242 7.224 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.882 -10.113 7.402 1.00 0.00 N ATOM 0 H ARG A 24 -5.395 -3.624 5.054 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.917 -3.197 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.354 -4.185 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.028 -5.323 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.773 -6.404 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.120 -5.279 8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.923 -6.506 9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.537 -6.541 9.083 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.461 -8.621 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.440 -7.267 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.889 -8.768 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.041 -10.562 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.527 -10.639 6.813 1.00 0.00 H new ATOM 347 N TYR A 25 -1.756 -4.959 5.196 1.00 0.00 N ATOM 348 CA TYR A 25 -1.047 -5.761 4.214 1.00 0.00 C ATOM 349 C TYR A 25 0.197 -6.406 4.827 1.00 0.00 C ATOM 350 O TYR A 25 0.826 -5.831 5.714 1.00 0.00 O ATOM 351 CB TYR A 25 -0.615 -4.793 3.111 1.00 0.00 C ATOM 352 CG TYR A 25 -1.762 -3.970 2.521 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.235 -2.862 3.195 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.323 -4.334 1.314 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.314 -2.088 2.640 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.403 -3.560 0.758 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.845 -2.475 1.449 1.00 0.00 C ATOM 358 OH TYR A 25 -4.865 -1.743 0.924 1.00 0.00 O ATOM 0 H TYR A 25 -1.169 -4.577 5.938 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.685 -6.562 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.137 -4.114 3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.139 -5.359 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.795 -2.576 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.952 -5.200 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.694 -1.219 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.851 -3.835 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.528 -2.345 0.526 1.00 0.00 H new ATOM 368 N SER A 26 0.517 -7.592 4.329 1.00 0.00 N ATOM 369 CA SER A 26 1.675 -8.321 4.816 1.00 0.00 C ATOM 370 C SER A 26 2.959 -7.669 4.300 1.00 0.00 C ATOM 371 O SER A 26 2.988 -7.140 3.189 1.00 0.00 O ATOM 372 CB SER A 26 1.619 -9.790 4.394 1.00 0.00 C ATOM 373 OG SER A 26 2.651 -10.560 5.004 1.00 0.00 O ATOM 0 H SER A 26 -0.006 -8.066 3.593 1.00 0.00 H new ATOM 0 HA SER A 26 1.669 -8.284 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.648 -10.208 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.707 -9.859 3.310 1.00 0.00 H new ATOM 0 HG SER A 26 2.580 -11.492 4.711 1.00 0.00 H new ATOM 379 N ARG A 27 3.990 -7.727 5.130 1.00 0.00 N ATOM 380 CA ARG A 27 5.274 -7.149 4.771 1.00 0.00 C ATOM 381 C ARG A 27 5.967 -8.011 3.714 1.00 0.00 C ATOM 382 O ARG A 27 7.048 -7.667 3.238 1.00 0.00 O ATOM 383 CB ARG A 27 6.184 -7.025 5.995 1.00 0.00 C ATOM 384 CG ARG A 27 5.678 -5.938 6.946 1.00 0.00 C ATOM 385 CD ARG A 27 6.761 -5.543 7.951 1.00 0.00 C ATOM 386 NE ARG A 27 7.012 -4.086 7.878 1.00 0.00 N ATOM 387 CZ ARG A 27 8.069 -3.477 8.431 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.981 -4.195 9.102 1.00 0.00 N ATOM 389 NH2 ARG A 27 8.216 -2.150 8.314 1.00 0.00 N ATOM 0 H ARG A 27 3.962 -8.166 6.050 1.00 0.00 H new ATOM 0 HA ARG A 27 5.088 -6.153 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.227 -7.980 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.199 -6.790 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.371 -5.063 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.796 -6.296 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.450 -5.817 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.680 -6.090 7.741 1.00 0.00 H new ATOM 0 HE ARG A 27 6.338 -3.510 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.870 -5.205 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.786 -3.731 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.523 -1.603 7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.021 -1.687 8.735 1.00 0.00 H new ATOM 403 N SER A 28 5.317 -9.115 3.377 1.00 0.00 N ATOM 404 CA SER A 28 5.857 -10.029 2.385 1.00 0.00 C ATOM 405 C SER A 28 5.181 -9.793 1.033 1.00 0.00 C ATOM 406 O SER A 28 5.460 -10.498 0.064 1.00 0.00 O ATOM 407 CB SER A 28 5.678 -11.484 2.822 1.00 0.00 C ATOM 408 OG SER A 28 6.892 -12.049 3.309 1.00 0.00 O ATOM 0 H SER A 28 4.421 -9.397 3.774 1.00 0.00 H new ATOM 0 HA SER A 28 6.925 -9.836 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.916 -11.538 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.316 -12.074 1.980 1.00 0.00 H new ATOM 0 HG SER A 28 6.735 -12.978 3.579 1.00 0.00 H new ATOM 414 N LEU A 29 4.305 -8.800 1.011 1.00 0.00 N ATOM 415 CA LEU A 29 3.587 -8.462 -0.207 1.00 0.00 C ATOM 416 C LEU A 29 4.485 -7.606 -1.102 1.00 0.00 C ATOM 417 O LEU A 29 4.889 -6.510 -0.716 1.00 0.00 O ATOM 418 CB LEU A 29 2.246 -7.806 0.127 1.00 0.00 C ATOM 419 CG LEU A 29 1.033 -8.739 0.158 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.253 -7.956 0.433 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.940 -9.560 -1.129 1.00 0.00 C ATOM 0 H LEU A 29 4.076 -8.218 1.817 1.00 0.00 H new ATOM 0 HA LEU A 29 3.343 -9.364 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.333 -7.323 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.056 -7.020 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 29 1.164 -9.443 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.100 -8.642 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.174 -7.453 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.402 -7.214 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.070 -10.214 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.843 -8.889 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.841 -10.163 -1.242 1.00 0.00 H new ATOM 433 N THR A 30 4.770 -8.138 -2.282 1.00 0.00 N ATOM 434 CA THR A 30 5.612 -7.436 -3.235 1.00 0.00 C ATOM 435 C THR A 30 4.936 -6.142 -3.693 1.00 0.00 C ATOM 436 O THR A 30 3.752 -6.141 -4.029 1.00 0.00 O ATOM 437 CB THR A 30 5.927 -8.396 -4.384 1.00 0.00 C ATOM 438 OG1 THR A 30 4.689 -8.527 -5.076 1.00 0.00 O ATOM 439 CG2 THR A 30 6.233 -9.813 -3.895 1.00 0.00 C ATOM 0 H THR A 30 4.433 -9.047 -2.599 1.00 0.00 H new ATOM 0 HA THR A 30 6.554 -7.130 -2.780 1.00 0.00 H new ATOM 0 HB THR A 30 6.777 -8.017 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.803 -9.132 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.450 -10.454 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.097 -9.790 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.371 -10.206 -3.356 1.00 0.00 H new ATOM 447 N ILE A 31 5.716 -5.071 -3.691 1.00 0.00 N ATOM 448 CA ILE A 31 5.207 -3.774 -4.102 1.00 0.00 C ATOM 449 C ILE A 31 4.245 -3.957 -5.277 1.00 0.00 C ATOM 450 O ILE A 31 3.225 -3.275 -5.362 1.00 0.00 O ATOM 451 CB ILE A 31 6.362 -2.814 -4.395 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.308 -2.711 -3.197 1.00 0.00 C ATOM 453 CG2 ILE A 31 5.839 -1.444 -4.832 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.529 -2.474 -1.902 1.00 0.00 C ATOM 0 H ILE A 31 6.697 -5.075 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 31 4.638 -3.314 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 31 6.939 -3.219 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.893 -3.627 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.014 -1.896 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.680 -0.781 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.239 -1.555 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.224 -1.019 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.225 -2.405 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.964 -1.545 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.842 -3.303 -1.734 1.00 0.00 H new ATOM 466 N ALA A 32 4.605 -4.881 -6.156 1.00 0.00 N ATOM 467 CA ALA A 32 3.786 -5.163 -7.323 1.00 0.00 C ATOM 468 C ALA A 32 2.428 -5.701 -6.870 1.00 0.00 C ATOM 469 O ALA A 32 1.386 -5.171 -7.253 1.00 0.00 O ATOM 470 CB ALA A 32 4.524 -6.139 -8.241 1.00 0.00 C ATOM 0 H ALA A 32 5.453 -5.444 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 32 3.605 -4.252 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.910 -6.351 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.468 -5.697 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.721 -7.066 -7.703 1.00 0.00 H new ATOM 476 N GLU A 33 2.482 -6.749 -6.061 1.00 0.00 N ATOM 477 CA GLU A 33 1.269 -7.366 -5.552 1.00 0.00 C ATOM 478 C GLU A 33 0.467 -6.357 -4.727 1.00 0.00 C ATOM 479 O GLU A 33 -0.717 -6.142 -4.983 1.00 0.00 O ATOM 480 CB GLU A 33 1.592 -8.614 -4.729 1.00 0.00 C ATOM 481 CG GLU A 33 1.881 -9.811 -5.637 1.00 0.00 C ATOM 482 CD GLU A 33 0.660 -10.728 -5.740 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.529 -11.600 -4.855 1.00 0.00 O ATOM 484 OE2 GLU A 33 -0.115 -10.535 -6.702 1.00 0.00 O ATOM 0 H GLU A 33 3.348 -7.187 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 33 0.660 -7.679 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.455 -8.420 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.755 -8.846 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.161 -9.460 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.730 -10.372 -5.246 1.00 0.00 H new ATOM 491 N PHE A 34 1.144 -5.765 -3.754 1.00 0.00 N ATOM 492 CA PHE A 34 0.509 -4.785 -2.890 1.00 0.00 C ATOM 493 C PHE A 34 -0.449 -3.893 -3.684 1.00 0.00 C ATOM 494 O PHE A 34 -1.627 -3.788 -3.347 1.00 0.00 O ATOM 495 CB PHE A 34 1.625 -3.918 -2.302 1.00 0.00 C ATOM 496 CG PHE A 34 1.143 -2.907 -1.260 1.00 0.00 C ATOM 497 CD1 PHE A 34 -0.135 -2.963 -0.798 1.00 0.00 C ATOM 498 CD2 PHE A 34 1.993 -1.952 -0.795 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.582 -2.025 0.170 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.546 -1.014 0.173 1.00 0.00 C ATOM 501 CZ PHE A 34 0.268 -1.070 0.635 1.00 0.00 C ATOM 0 H PHE A 34 2.126 -5.945 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.066 -5.290 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.373 -4.567 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.120 -3.382 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.810 -3.721 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.008 -1.907 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.597 -2.070 0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.221 -0.256 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.072 -0.356 1.371 1.00 0.00 H new ATOM 511 N LYS A 35 0.094 -3.274 -4.722 1.00 0.00 N ATOM 512 CA LYS A 35 -0.698 -2.395 -5.566 1.00 0.00 C ATOM 513 C LYS A 35 -1.948 -3.140 -6.040 1.00 0.00 C ATOM 514 O LYS A 35 -3.052 -2.600 -5.992 1.00 0.00 O ATOM 515 CB LYS A 35 0.155 -1.837 -6.707 1.00 0.00 C ATOM 516 CG LYS A 35 1.335 -1.028 -6.164 1.00 0.00 C ATOM 517 CD LYS A 35 2.454 -0.925 -7.203 1.00 0.00 C ATOM 518 CE LYS A 35 3.476 0.140 -6.804 1.00 0.00 C ATOM 519 NZ LYS A 35 4.227 0.608 -7.990 1.00 0.00 N ATOM 0 H LYS A 35 1.072 -3.364 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.039 -1.528 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.524 -2.656 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.459 -1.206 -7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.999 -0.029 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.717 -1.499 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.950 -1.890 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.030 -0.680 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.968 0.981 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.167 -0.269 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.410 1.628 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.131 0.098 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.668 0.427 -8.848 1.00 0.00 H new ATOM 533 N CYS A 36 -1.732 -4.368 -6.487 1.00 0.00 N ATOM 534 CA CYS A 36 -2.827 -5.192 -6.969 1.00 0.00 C ATOM 535 C CYS A 36 -3.974 -5.106 -5.960 1.00 0.00 C ATOM 536 O CYS A 36 -5.143 -5.117 -6.342 1.00 0.00 O ATOM 537 CB CYS A 36 -2.385 -6.637 -7.208 1.00 0.00 C ATOM 538 SG CYS A 36 -2.934 -7.195 -8.862 1.00 0.00 S ATOM 0 H CYS A 36 -0.815 -4.812 -6.526 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.166 -4.820 -7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.300 -6.711 -7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.804 -7.286 -6.439 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.176 -6.160 -9.611 1.00 0.00 H new ATOM 544 N LYS A 37 -3.599 -5.021 -4.692 1.00 0.00 N ATOM 545 CA LYS A 37 -4.582 -4.933 -3.626 1.00 0.00 C ATOM 546 C LYS A 37 -5.136 -3.508 -3.566 1.00 0.00 C ATOM 547 O LYS A 37 -6.334 -3.312 -3.370 1.00 0.00 O ATOM 548 CB LYS A 37 -3.982 -5.416 -2.303 1.00 0.00 C ATOM 549 CG LYS A 37 -3.790 -6.933 -2.310 1.00 0.00 C ATOM 550 CD LYS A 37 -2.509 -7.320 -3.053 1.00 0.00 C ATOM 551 CE LYS A 37 -2.342 -8.841 -3.103 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.540 -9.236 -4.282 1.00 0.00 N ATOM 0 H LYS A 37 -2.628 -5.011 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.424 -5.595 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.024 -4.925 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.636 -5.132 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.746 -7.302 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.648 -7.410 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.537 -6.920 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.648 -6.872 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.856 -9.189 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.321 -9.319 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.154 -9.704 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.112 -8.390 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.789 -9.892 -3.987 1.00 0.00 H new ATOM 566 N LEU A 38 -4.237 -2.550 -3.738 1.00 0.00 N ATOM 567 CA LEU A 38 -4.621 -1.149 -3.706 1.00 0.00 C ATOM 568 C LEU A 38 -5.537 -0.848 -4.894 1.00 0.00 C ATOM 569 O LEU A 38 -6.372 0.052 -4.826 1.00 0.00 O ATOM 570 CB LEU A 38 -3.382 -0.254 -3.643 1.00 0.00 C ATOM 571 CG LEU A 38 -2.312 -0.661 -2.628 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.084 0.245 -2.732 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.884 -0.690 -1.209 1.00 0.00 C ATOM 0 H LEU A 38 -3.244 -2.716 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.189 -0.931 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.925 -0.229 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.703 0.762 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.986 -1.674 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.339 -0.066 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.661 0.171 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.376 1.277 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.103 -0.982 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.256 0.300 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.702 -1.409 -1.161 1.00 0.00 H new ATOM 585 N GLU A 39 -5.349 -1.619 -5.955 1.00 0.00 N ATOM 586 CA GLU A 39 -6.148 -1.447 -7.156 1.00 0.00 C ATOM 587 C GLU A 39 -7.623 -1.271 -6.792 1.00 0.00 C ATOM 588 O GLU A 39 -8.339 -0.506 -7.438 1.00 0.00 O ATOM 589 CB GLU A 39 -5.956 -2.623 -8.115 1.00 0.00 C ATOM 590 CG GLU A 39 -4.583 -2.565 -8.788 1.00 0.00 C ATOM 591 CD GLU A 39 -4.469 -3.616 -9.894 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.494 -3.836 -10.576 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.360 -4.176 -10.033 1.00 0.00 O ATOM 0 H GLU A 39 -4.655 -2.364 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.811 -0.545 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.058 -3.561 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.738 -2.609 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.421 -1.572 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.803 -2.728 -8.045 1.00 0.00 H new ATOM 600 N LEU A 40 -8.035 -1.991 -5.759 1.00 0.00 N ATOM 601 CA LEU A 40 -9.412 -1.924 -5.301 1.00 0.00 C ATOM 602 C LEU A 40 -9.585 -0.702 -4.396 1.00 0.00 C ATOM 603 O LEU A 40 -10.611 -0.025 -4.450 1.00 0.00 O ATOM 604 CB LEU A 40 -9.822 -3.241 -4.641 1.00 0.00 C ATOM 605 CG LEU A 40 -9.828 -4.473 -5.548 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.258 -4.924 -5.851 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.025 -4.217 -6.825 1.00 0.00 C ATOM 0 H LEU A 40 -7.439 -2.624 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.088 -1.794 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.147 -3.432 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.820 -3.119 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.339 -5.290 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.234 -5.801 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.766 -5.174 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.795 -4.119 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.045 -5.108 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.464 -3.380 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.993 -3.980 -6.565 1.00 0.00 H new ATOM 619 N VAL A 41 -8.567 -0.458 -3.584 1.00 0.00 N ATOM 620 CA VAL A 41 -8.594 0.670 -2.669 1.00 0.00 C ATOM 621 C VAL A 41 -8.846 1.956 -3.458 1.00 0.00 C ATOM 622 O VAL A 41 -9.654 2.790 -3.051 1.00 0.00 O ATOM 623 CB VAL A 41 -7.299 0.713 -1.854 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.284 1.919 -0.912 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.095 -0.590 -1.079 1.00 0.00 C ATOM 0 H VAL A 41 -7.718 -1.022 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.410 0.562 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.468 0.822 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.353 1.926 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.361 2.837 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.127 1.854 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.168 -0.533 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.932 -0.743 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.040 -1.424 -1.778 1.00 0.00 H new ATOM 635 N VAL A 42 -8.140 2.077 -4.572 1.00 0.00 N ATOM 636 CA VAL A 42 -8.278 3.248 -5.422 1.00 0.00 C ATOM 637 C VAL A 42 -9.149 2.896 -6.630 1.00 0.00 C ATOM 638 O VAL A 42 -9.514 3.772 -7.413 1.00 0.00 O ATOM 639 CB VAL A 42 -6.897 3.775 -5.814 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.328 4.685 -4.723 1.00 0.00 C ATOM 641 CG2 VAL A 42 -5.937 2.624 -6.123 1.00 0.00 C ATOM 0 H VAL A 42 -7.471 1.384 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.778 4.054 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.011 4.369 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.345 5.046 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.996 5.533 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.237 4.125 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.963 3.027 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.832 1.991 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.332 2.033 -6.949 1.00 0.00 H new ATOM 651 N GLY A 43 -9.456 1.612 -6.744 1.00 0.00 N ATOM 652 CA GLY A 43 -10.276 1.134 -7.844 1.00 0.00 C ATOM 653 C GLY A 43 -9.615 1.431 -9.191 1.00 0.00 C ATOM 654 O GLY A 43 -10.295 1.537 -10.211 1.00 0.00 O ATOM 0 H GLY A 43 -9.152 0.888 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.437 0.061 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.257 1.608 -7.804 1.00 0.00 H new ATOM 658 N SER A 44 -8.296 1.556 -9.152 1.00 0.00 N ATOM 659 CA SER A 44 -7.536 1.839 -10.358 1.00 0.00 C ATOM 660 C SER A 44 -6.482 0.752 -10.578 1.00 0.00 C ATOM 661 O SER A 44 -6.230 -0.062 -9.691 1.00 0.00 O ATOM 662 CB SER A 44 -6.871 3.215 -10.279 1.00 0.00 C ATOM 663 OG SER A 44 -7.503 4.059 -9.321 1.00 0.00 O ATOM 0 H SER A 44 -7.735 1.467 -8.305 1.00 0.00 H new ATOM 0 HA SER A 44 -8.224 1.846 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.819 3.095 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.904 3.691 -11.259 1.00 0.00 H new ATOM 0 HG SER A 44 -7.049 4.927 -9.299 1.00 0.00 H new ATOM 669 N PRO A 45 -5.878 0.776 -11.797 1.00 0.00 N ATOM 670 CA PRO A 45 -4.857 -0.198 -12.145 1.00 0.00 C ATOM 671 C PRO A 45 -3.534 0.122 -11.446 1.00 0.00 C ATOM 672 O PRO A 45 -3.094 1.270 -11.437 1.00 0.00 O ATOM 673 CB PRO A 45 -4.757 -0.138 -13.661 1.00 0.00 C ATOM 674 CG PRO A 45 -5.385 1.185 -14.068 1.00 0.00 C ATOM 675 CD PRO A 45 -6.152 1.725 -12.871 1.00 0.00 C ATOM 0 HA PRO A 45 -5.107 -1.206 -11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.718 -0.194 -13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.280 -0.977 -14.120 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.617 1.892 -14.380 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.053 1.045 -14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.819 2.729 -12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.220 1.788 -13.081 1.00 0.00 H new ATOM 683 N ALA A 46 -2.938 -0.915 -10.876 1.00 0.00 N ATOM 684 CA ALA A 46 -1.674 -0.760 -10.176 1.00 0.00 C ATOM 685 C ALA A 46 -0.592 -0.338 -11.173 1.00 0.00 C ATOM 686 O ALA A 46 0.496 0.076 -10.775 1.00 0.00 O ATOM 687 CB ALA A 46 -1.326 -2.064 -9.455 1.00 0.00 C ATOM 0 H ALA A 46 -3.307 -1.866 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.748 0.021 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.378 -1.948 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.111 -2.304 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.241 -2.871 -10.183 1.00 0.00 H new ATOM 693 N SER A 47 -0.929 -0.457 -12.449 1.00 0.00 N ATOM 694 CA SER A 47 0.000 -0.094 -13.505 1.00 0.00 C ATOM 695 C SER A 47 -0.196 1.374 -13.892 1.00 0.00 C ATOM 696 O SER A 47 0.422 1.858 -14.839 1.00 0.00 O ATOM 697 CB SER A 47 -0.179 -0.993 -14.730 1.00 0.00 C ATOM 698 OG SER A 47 1.070 -1.431 -15.257 1.00 0.00 O ATOM 0 H SER A 47 -1.833 -0.800 -12.775 1.00 0.00 H new ATOM 0 HA SER A 47 1.014 -0.233 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.782 -1.860 -14.459 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.728 -0.451 -15.500 1.00 0.00 H new ATOM 0 HG SER A 47 0.913 -2.004 -16.037 1.00 0.00 H new ATOM 704 N CYS A 48 -1.058 2.041 -13.138 1.00 0.00 N ATOM 705 CA CYS A 48 -1.342 3.444 -13.390 1.00 0.00 C ATOM 706 C CYS A 48 -1.450 4.161 -12.043 1.00 0.00 C ATOM 707 O CYS A 48 -2.181 5.142 -11.915 1.00 0.00 O ATOM 708 CB CYS A 48 -2.606 3.621 -14.234 1.00 0.00 C ATOM 709 SG CYS A 48 -2.509 2.579 -15.735 1.00 0.00 S ATOM 0 H CYS A 48 -1.569 1.636 -12.353 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.531 3.884 -13.971 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.485 3.349 -13.649 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.722 4.668 -14.515 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.588 2.736 -16.443 1.00 0.00 H new ATOM 715 N MET A 49 -0.709 3.645 -11.073 1.00 0.00 N ATOM 716 CA MET A 49 -0.712 4.224 -9.741 1.00 0.00 C ATOM 717 C MET A 49 0.630 3.999 -9.042 1.00 0.00 C ATOM 718 O MET A 49 1.171 2.894 -9.071 1.00 0.00 O ATOM 719 CB MET A 49 -1.832 3.593 -8.911 1.00 0.00 C ATOM 720 CG MET A 49 -1.260 2.734 -7.782 1.00 0.00 C ATOM 721 SD MET A 49 -2.569 2.225 -6.680 1.00 0.00 S ATOM 722 CE MET A 49 -3.451 1.097 -7.745 1.00 0.00 C ATOM 0 H MET A 49 -0.103 2.832 -11.184 1.00 0.00 H new ATOM 0 HA MET A 49 -0.877 5.297 -9.833 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.465 4.376 -8.492 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.465 2.981 -9.553 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.761 1.858 -8.197 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.507 3.298 -7.230 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.508 1.096 -7.479 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.338 1.413 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.046 0.092 -7.625 1.00 0.00 H new ATOM 732 N GLU A 50 1.129 5.063 -8.430 1.00 0.00 N ATOM 733 CA GLU A 50 2.398 4.995 -7.725 1.00 0.00 C ATOM 734 C GLU A 50 2.162 4.904 -6.216 1.00 0.00 C ATOM 735 O GLU A 50 1.034 5.055 -5.751 1.00 0.00 O ATOM 736 CB GLU A 50 3.282 6.194 -8.071 1.00 0.00 C ATOM 737 CG GLU A 50 4.730 5.758 -8.306 1.00 0.00 C ATOM 738 CD GLU A 50 4.819 4.746 -9.450 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.813 5.202 -10.614 1.00 0.00 O ATOM 740 OE2 GLU A 50 4.891 3.538 -9.134 1.00 0.00 O ATOM 0 H GLU A 50 0.677 5.977 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 50 2.922 4.095 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.898 6.688 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.245 6.923 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.343 6.629 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.134 5.318 -7.394 1.00 0.00 H new ATOM 747 N LEU A 51 3.246 4.659 -5.494 1.00 0.00 N ATOM 748 CA LEU A 51 3.171 4.547 -4.048 1.00 0.00 C ATOM 749 C LEU A 51 4.128 5.558 -3.412 1.00 0.00 C ATOM 750 O LEU A 51 4.989 6.115 -4.091 1.00 0.00 O ATOM 751 CB LEU A 51 3.422 3.103 -3.609 1.00 0.00 C ATOM 752 CG LEU A 51 2.305 2.104 -3.918 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.753 0.672 -3.621 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.021 2.470 -3.172 1.00 0.00 C ATOM 0 H LEU A 51 4.180 4.535 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 51 2.168 4.793 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.337 2.753 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.601 3.097 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 51 2.084 2.157 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.941 -0.018 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.620 0.427 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.018 0.585 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.243 1.744 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.209 2.463 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.694 3.464 -3.476 1.00 0.00 H new ATOM 766 N GLU A 52 3.944 5.764 -2.116 1.00 0.00 N ATOM 767 CA GLU A 52 4.780 6.698 -1.381 1.00 0.00 C ATOM 768 C GLU A 52 4.840 6.307 0.097 1.00 0.00 C ATOM 769 O GLU A 52 3.890 5.738 0.631 1.00 0.00 O ATOM 770 CB GLU A 52 4.277 8.133 -1.549 1.00 0.00 C ATOM 771 CG GLU A 52 4.360 8.576 -3.012 1.00 0.00 C ATOM 772 CD GLU A 52 4.318 10.101 -3.126 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.270 10.669 -2.751 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.335 10.664 -3.586 1.00 0.00 O ATOM 0 H GLU A 52 3.228 5.300 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 52 5.789 6.652 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.246 8.204 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.869 8.805 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.281 8.200 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.533 8.143 -3.574 1.00 0.00 H new ATOM 781 N LEU A 53 5.967 6.629 0.716 1.00 0.00 N ATOM 782 CA LEU A 53 6.163 6.319 2.122 1.00 0.00 C ATOM 783 C LEU A 53 6.309 7.621 2.911 1.00 0.00 C ATOM 784 O LEU A 53 7.371 8.242 2.900 1.00 0.00 O ATOM 785 CB LEU A 53 7.340 5.357 2.299 1.00 0.00 C ATOM 786 CG LEU A 53 7.927 5.269 3.709 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.893 4.735 4.702 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.212 4.438 3.716 1.00 0.00 C ATOM 0 H LEU A 53 6.753 7.101 0.270 1.00 0.00 H new ATOM 0 HA LEU A 53 5.293 5.799 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.017 4.360 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.134 5.655 1.614 1.00 0.00 H new ATOM 0 HG LEU A 53 8.192 6.276 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.337 4.683 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.031 5.402 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.573 3.739 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.609 4.391 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.995 3.429 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.948 4.901 3.059 1.00 0.00 H new ATOM 800 N TYR A 54 5.227 7.996 3.578 1.00 0.00 N ATOM 801 CA TYR A 54 5.221 9.213 4.371 1.00 0.00 C ATOM 802 C TYR A 54 5.554 8.915 5.835 1.00 0.00 C ATOM 803 O TYR A 54 5.156 7.880 6.367 1.00 0.00 O ATOM 804 CB TYR A 54 3.797 9.765 4.287 1.00 0.00 C ATOM 805 CG TYR A 54 3.500 10.527 2.993 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.641 9.896 1.773 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.093 11.844 3.046 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.362 10.613 0.556 1.00 0.00 C ATOM 809 CE2 TYR A 54 2.814 12.561 1.829 1.00 0.00 C ATOM 810 CZ TYR A 54 2.962 11.910 0.644 1.00 0.00 C ATOM 811 OH TYR A 54 2.699 12.587 -0.506 1.00 0.00 O ATOM 0 H TYR A 54 4.348 7.478 3.585 1.00 0.00 H new ATOM 0 HA TYR A 54 5.965 9.917 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.092 8.939 4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.625 10.428 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.960 8.865 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.984 12.337 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.468 10.132 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.494 13.592 1.856 1.00 0.00 H new ATOM 0 HH TYR A 54 2.864 12.002 -1.275 1.00 0.00 H new ATOM 821 N GLY A 55 6.280 9.841 6.444 1.00 0.00 N ATOM 822 CA GLY A 55 6.670 9.691 7.835 1.00 0.00 C ATOM 823 C GLY A 55 5.484 9.943 8.768 1.00 0.00 C ATOM 824 O GLY A 55 4.395 9.415 8.549 1.00 0.00 O ATOM 0 H GLY A 55 6.608 10.698 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.060 8.687 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.475 10.388 8.068 1.00 0.00 H new ATOM 828 N ALA A 56 5.735 10.750 9.788 1.00 0.00 N ATOM 829 CA ALA A 56 4.702 11.078 10.755 1.00 0.00 C ATOM 830 C ALA A 56 3.893 12.273 10.245 1.00 0.00 C ATOM 831 O ALA A 56 2.745 12.119 9.832 1.00 0.00 O ATOM 832 CB ALA A 56 5.344 11.348 12.118 1.00 0.00 C ATOM 0 H ALA A 56 6.639 11.187 9.966 1.00 0.00 H new ATOM 0 HA ALA A 56 4.014 10.242 10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.568 11.594 12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.882 10.460 12.449 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.040 12.183 12.034 1.00 0.00 H new ATOM 838 N ASP A 57 4.525 13.437 10.290 1.00 0.00 N ATOM 839 CA ASP A 57 3.879 14.657 9.837 1.00 0.00 C ATOM 840 C ASP A 57 3.840 14.671 8.308 1.00 0.00 C ATOM 841 O ASP A 57 4.356 15.593 7.679 1.00 0.00 O ATOM 842 CB ASP A 57 4.651 15.894 10.302 1.00 0.00 C ATOM 843 CG ASP A 57 4.367 16.331 11.740 1.00 0.00 C ATOM 844 OD1 ASP A 57 4.770 15.578 12.652 1.00 0.00 O ATOM 845 OD2 ASP A 57 3.752 17.408 11.895 1.00 0.00 O ATOM 0 H ASP A 57 5.478 13.561 10.633 1.00 0.00 H new ATOM 0 HA ASP A 57 2.873 14.681 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.718 15.696 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.417 16.722 9.634 1.00 0.00 H new ATOM 850 N ASP A 58 3.221 13.638 7.754 1.00 0.00 N ATOM 851 CA ASP A 58 3.108 13.520 6.311 1.00 0.00 C ATOM 852 C ASP A 58 4.418 13.971 5.662 1.00 0.00 C ATOM 853 O ASP A 58 4.451 14.979 4.957 1.00 0.00 O ATOM 854 CB ASP A 58 1.984 14.408 5.772 1.00 0.00 C ATOM 855 CG ASP A 58 1.900 15.799 6.403 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.263 15.900 7.473 1.00 0.00 O ATOM 857 OD2 ASP A 58 2.476 16.731 5.800 1.00 0.00 O ATOM 0 H ASP A 58 2.793 12.876 8.279 1.00 0.00 H new ATOM 0 HA ASP A 58 2.891 12.478 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.115 14.521 4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.033 13.898 5.925 1.00 0.00 H new ATOM 862 N LYS A 59 5.465 13.203 5.922 1.00 0.00 N ATOM 863 CA LYS A 59 6.774 13.510 5.372 1.00 0.00 C ATOM 864 C LYS A 59 7.235 12.352 4.485 1.00 0.00 C ATOM 865 O LYS A 59 7.674 11.318 4.986 1.00 0.00 O ATOM 866 CB LYS A 59 7.758 13.856 6.492 1.00 0.00 C ATOM 867 CG LYS A 59 7.920 12.683 7.461 1.00 0.00 C ATOM 868 CD LYS A 59 8.688 13.109 8.713 1.00 0.00 C ATOM 869 CE LYS A 59 10.145 13.436 8.379 1.00 0.00 C ATOM 870 NZ LYS A 59 10.575 14.665 9.082 1.00 0.00 N ATOM 0 H LYS A 59 5.434 12.368 6.507 1.00 0.00 H new ATOM 0 HA LYS A 59 6.722 14.396 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.726 14.115 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.404 14.733 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.939 12.302 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.448 11.868 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.209 13.981 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.652 12.311 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.786 12.603 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.257 13.568 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.566 14.872 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.974 15.461 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.487 14.526 10.109 1.00 0.00 H new ATOM 884 N PHE A 60 7.119 12.564 3.182 1.00 0.00 N ATOM 885 CA PHE A 60 7.518 11.551 2.220 1.00 0.00 C ATOM 886 C PHE A 60 8.973 11.131 2.438 1.00 0.00 C ATOM 887 O PHE A 60 9.832 11.971 2.703 1.00 0.00 O ATOM 888 CB PHE A 60 7.382 12.175 0.830 1.00 0.00 C ATOM 889 CG PHE A 60 8.201 11.469 -0.252 1.00 0.00 C ATOM 890 CD1 PHE A 60 9.527 11.740 -0.388 1.00 0.00 C ATOM 891 CD2 PHE A 60 7.602 10.570 -1.079 1.00 0.00 C ATOM 892 CE1 PHE A 60 10.286 11.084 -1.392 1.00 0.00 C ATOM 893 CE2 PHE A 60 8.362 9.914 -2.083 1.00 0.00 C ATOM 894 CZ PHE A 60 9.688 10.184 -2.219 1.00 0.00 C ATOM 0 H PHE A 60 6.754 13.423 2.770 1.00 0.00 H new ATOM 0 HA PHE A 60 6.892 10.666 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.331 12.166 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.689 13.220 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.002 12.454 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.549 10.355 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.339 11.299 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.887 9.200 -2.739 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.266 9.685 -2.983 1.00 0.00 H new ATOM 904 N TYR A 61 9.205 9.832 2.318 1.00 0.00 N ATOM 905 CA TYR A 61 10.541 9.291 2.498 1.00 0.00 C ATOM 906 C TYR A 61 11.043 8.630 1.213 1.00 0.00 C ATOM 907 O TYR A 61 12.112 8.975 0.710 1.00 0.00 O ATOM 908 CB TYR A 61 10.422 8.227 3.591 1.00 0.00 C ATOM 909 CG TYR A 61 10.715 8.747 5.000 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.625 10.097 5.270 1.00 0.00 C ATOM 911 CD2 TYR A 61 11.071 7.865 6.000 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.901 10.585 6.597 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.348 8.353 7.326 1.00 0.00 C ATOM 914 CZ TYR A 61 11.249 9.690 7.559 1.00 0.00 C ATOM 915 OH TYR A 61 11.510 10.151 8.811 1.00 0.00 O ATOM 0 H TYR A 61 8.490 9.139 2.098 1.00 0.00 H new ATOM 0 HA TYR A 61 11.243 10.083 2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.415 7.811 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.109 7.411 3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.348 10.787 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.142 6.808 5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.833 11.639 6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.628 7.674 8.117 1.00 0.00 H new ATOM 0 HH TYR A 61 11.744 9.399 9.394 1.00 0.00 H new ATOM 925 N SER A 62 10.249 7.693 0.718 1.00 0.00 N ATOM 926 CA SER A 62 10.599 6.981 -0.499 1.00 0.00 C ATOM 927 C SER A 62 9.332 6.614 -1.274 1.00 0.00 C ATOM 928 O SER A 62 8.222 6.889 -0.821 1.00 0.00 O ATOM 929 CB SER A 62 11.413 5.723 -0.187 1.00 0.00 C ATOM 930 OG SER A 62 10.642 4.536 -0.349 1.00 0.00 O ATOM 0 H SER A 62 9.364 7.410 1.138 1.00 0.00 H new ATOM 0 HA SER A 62 11.216 7.637 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.283 5.682 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.786 5.777 0.836 1.00 0.00 H new ATOM 0 HG SER A 62 11.185 3.757 -0.107 1.00 0.00 H new ATOM 936 N LYS A 63 9.540 6.000 -2.430 1.00 0.00 N ATOM 937 CA LYS A 63 8.428 5.593 -3.272 1.00 0.00 C ATOM 938 C LYS A 63 8.455 4.073 -3.445 1.00 0.00 C ATOM 939 O LYS A 63 9.484 3.504 -3.804 1.00 0.00 O ATOM 940 CB LYS A 63 8.447 6.363 -4.594 1.00 0.00 C ATOM 941 CG LYS A 63 9.414 7.547 -4.524 1.00 0.00 C ATOM 942 CD LYS A 63 10.864 7.081 -4.667 1.00 0.00 C ATOM 943 CE LYS A 63 11.502 7.652 -5.934 1.00 0.00 C ATOM 944 NZ LYS A 63 11.333 6.715 -7.067 1.00 0.00 N ATOM 0 H LYS A 63 10.462 5.775 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 63 7.479 5.844 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.742 5.695 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.444 6.721 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.178 8.261 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.288 8.068 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.438 7.393 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.898 5.992 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.046 8.612 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.562 7.837 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.772 7.118 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.789 5.808 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.319 6.559 -7.240 1.00 0.00 H new ATOM 958 N LEU A 64 7.310 3.460 -3.182 1.00 0.00 N ATOM 959 CA LEU A 64 7.190 2.017 -3.304 1.00 0.00 C ATOM 960 C LEU A 64 6.858 1.658 -4.754 1.00 0.00 C ATOM 961 O LEU A 64 5.722 1.302 -5.065 1.00 0.00 O ATOM 962 CB LEU A 64 6.179 1.476 -2.291 1.00 0.00 C ATOM 963 CG LEU A 64 6.499 1.742 -0.818 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.981 2.070 -0.629 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.592 2.835 -0.249 1.00 0.00 C ATOM 0 H LEU A 64 6.458 3.936 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 64 8.137 1.535 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.204 1.908 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.091 0.399 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 64 6.297 0.831 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.181 2.255 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.586 1.231 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.234 2.959 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.840 3.005 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.738 3.758 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.551 2.522 -0.329 1.00 0.00 H new ATOM 977 N ASP A 65 7.870 1.764 -5.603 1.00 0.00 N ATOM 978 CA ASP A 65 7.700 1.456 -7.013 1.00 0.00 C ATOM 979 C ASP A 65 8.366 0.113 -7.320 1.00 0.00 C ATOM 980 O ASP A 65 7.797 -0.719 -8.024 1.00 0.00 O ATOM 981 CB ASP A 65 8.355 2.522 -7.893 1.00 0.00 C ATOM 982 CG ASP A 65 8.831 2.028 -9.260 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.994 1.573 -9.326 1.00 0.00 O ATOM 984 OD2 ASP A 65 8.022 2.117 -10.209 1.00 0.00 O ATOM 0 H ASP A 65 8.811 2.059 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 65 6.631 1.422 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.644 3.334 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.207 2.940 -7.358 1.00 0.00 H new ATOM 989 N GLN A 66 9.563 -0.055 -6.778 1.00 0.00 N ATOM 990 CA GLN A 66 10.314 -1.282 -6.986 1.00 0.00 C ATOM 991 C GLN A 66 9.453 -2.496 -6.632 1.00 0.00 C ATOM 992 O GLN A 66 9.035 -2.653 -5.486 1.00 0.00 O ATOM 993 CB GLN A 66 11.611 -1.275 -6.176 1.00 0.00 C ATOM 994 CG GLN A 66 12.832 -1.340 -7.096 1.00 0.00 C ATOM 995 CD GLN A 66 13.069 0.003 -7.789 1.00 0.00 C ATOM 996 OE1 GLN A 66 12.744 1.061 -7.277 1.00 0.00 O ATOM 997 NE2 GLN A 66 13.652 -0.099 -8.980 1.00 0.00 N ATOM 0 H GLN A 66 10.032 0.638 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 66 10.584 -1.346 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.658 -0.373 -5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.621 -2.123 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.714 -1.615 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.687 -2.119 -7.845 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.898 -1.017 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.853 0.741 -9.523 1.00 0.00 H new ATOM 1006 N GLU A 67 9.214 -3.325 -7.638 1.00 0.00 N ATOM 1007 CA GLU A 67 8.411 -4.521 -7.447 1.00 0.00 C ATOM 1008 C GLU A 67 9.224 -5.597 -6.725 1.00 0.00 C ATOM 1009 O GLU A 67 8.706 -6.290 -5.851 1.00 0.00 O ATOM 1010 CB GLU A 67 7.877 -5.041 -8.783 1.00 0.00 C ATOM 1011 CG GLU A 67 7.254 -3.909 -9.603 1.00 0.00 C ATOM 1012 CD GLU A 67 7.853 -3.857 -11.010 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.921 -3.223 -11.148 1.00 0.00 O ATOM 1014 OE2 GLU A 67 7.229 -4.453 -11.915 1.00 0.00 O ATOM 0 H GLU A 67 9.562 -3.192 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 67 7.553 -4.264 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.688 -5.501 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.133 -5.817 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.176 -4.053 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.418 -2.957 -9.099 1.00 0.00 H new ATOM 1021 N ASP A 68 10.485 -5.704 -7.118 1.00 0.00 N ATOM 1022 CA ASP A 68 11.375 -6.684 -6.520 1.00 0.00 C ATOM 1023 C ASP A 68 11.458 -6.437 -5.012 1.00 0.00 C ATOM 1024 O ASP A 68 11.884 -7.312 -4.259 1.00 0.00 O ATOM 1025 CB ASP A 68 12.787 -6.570 -7.096 1.00 0.00 C ATOM 1026 CG ASP A 68 13.307 -7.832 -7.789 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.758 -8.156 -8.864 1.00 0.00 O ATOM 1028 OD2 ASP A 68 14.242 -8.443 -7.228 1.00 0.00 O ATOM 0 H ASP A 68 10.911 -5.128 -7.844 1.00 0.00 H new ATOM 0 HA ASP A 68 10.977 -7.676 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.806 -5.747 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.472 -6.308 -6.290 1.00 0.00 H new ATOM 1033 N ALA A 69 11.045 -5.242 -4.617 1.00 0.00 N ATOM 1034 CA ALA A 69 11.068 -4.869 -3.212 1.00 0.00 C ATOM 1035 C ALA A 69 9.849 -5.472 -2.510 1.00 0.00 C ATOM 1036 O ALA A 69 8.935 -5.972 -3.163 1.00 0.00 O ATOM 1037 CB ALA A 69 11.117 -3.345 -3.090 1.00 0.00 C ATOM 0 H ALA A 69 10.693 -4.519 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 69 11.959 -5.264 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.134 -3.065 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.015 -2.969 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.236 -2.913 -3.566 1.00 0.00 H new ATOM 1043 N LEU A 70 9.876 -5.404 -1.187 1.00 0.00 N ATOM 1044 CA LEU A 70 8.785 -5.937 -0.388 1.00 0.00 C ATOM 1045 C LEU A 70 8.501 -4.986 0.777 1.00 0.00 C ATOM 1046 O LEU A 70 9.416 -4.366 1.315 1.00 0.00 O ATOM 1047 CB LEU A 70 9.092 -7.371 0.049 1.00 0.00 C ATOM 1048 CG LEU A 70 9.710 -8.279 -1.016 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.634 -9.319 -0.380 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.626 -8.928 -1.879 1.00 0.00 C ATOM 0 H LEU A 70 10.636 -4.988 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 70 7.872 -5.998 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.769 -7.333 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.166 -7.830 0.397 1.00 0.00 H new ATOM 0 HG LEU A 70 10.322 -7.664 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.060 -9.952 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.437 -8.813 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.064 -9.935 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.092 -9.568 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.969 -9.527 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.044 -8.152 -2.376 1.00 0.00 H new ATOM 1062 N LEU A 71 7.227 -4.902 1.132 1.00 0.00 N ATOM 1063 CA LEU A 71 6.810 -4.038 2.223 1.00 0.00 C ATOM 1064 C LEU A 71 7.602 -4.396 3.482 1.00 0.00 C ATOM 1065 O LEU A 71 7.504 -5.514 3.984 1.00 0.00 O ATOM 1066 CB LEU A 71 5.293 -4.106 2.410 1.00 0.00 C ATOM 1067 CG LEU A 71 4.524 -2.812 2.134 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.048 -2.961 2.505 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.177 -1.624 2.844 1.00 0.00 C ATOM 0 H LEU A 71 6.470 -5.418 0.683 1.00 0.00 H new ATOM 0 HA LEU A 71 7.033 -2.996 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.901 -4.885 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.087 -4.416 3.434 1.00 0.00 H new ATOM 0 HG LEU A 71 4.567 -2.611 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.525 -2.027 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.604 -3.763 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.962 -3.199 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.611 -0.717 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.186 -1.803 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.200 -1.505 2.488 1.00 0.00 H new ATOM 1081 N GLY A 72 8.368 -3.424 3.957 1.00 0.00 N ATOM 1082 CA GLY A 72 9.176 -3.623 5.148 1.00 0.00 C ATOM 1083 C GLY A 72 10.617 -3.164 4.916 1.00 0.00 C ATOM 1084 O GLY A 72 11.149 -2.365 5.684 1.00 0.00 O ATOM 0 H GLY A 72 8.446 -2.497 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.744 -3.069 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.167 -4.677 5.426 1.00 0.00 H new ATOM 1088 N SER A 73 11.207 -3.690 3.852 1.00 0.00 N ATOM 1089 CA SER A 73 12.576 -3.345 3.509 1.00 0.00 C ATOM 1090 C SER A 73 12.761 -1.827 3.558 1.00 0.00 C ATOM 1091 O SER A 73 13.865 -1.340 3.795 1.00 0.00 O ATOM 1092 CB SER A 73 12.949 -3.880 2.125 1.00 0.00 C ATOM 1093 OG SER A 73 13.005 -2.844 1.149 1.00 0.00 O ATOM 0 H SER A 73 10.762 -4.352 3.217 1.00 0.00 H new ATOM 0 HA SER A 73 13.239 -3.810 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.916 -4.380 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.219 -4.629 1.817 1.00 0.00 H new ATOM 0 HG SER A 73 13.248 -3.226 0.280 1.00 0.00 H new ATOM 1099 N TYR A 74 11.663 -1.121 3.330 1.00 0.00 N ATOM 1100 CA TYR A 74 11.690 0.331 3.345 1.00 0.00 C ATOM 1101 C TYR A 74 11.512 0.868 4.766 1.00 0.00 C ATOM 1102 O TYR A 74 11.128 0.127 5.670 1.00 0.00 O ATOM 1103 CB TYR A 74 10.506 0.784 2.489 1.00 0.00 C ATOM 1104 CG TYR A 74 10.757 0.697 0.982 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.677 1.536 0.386 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.064 -0.221 0.219 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.913 1.453 -1.032 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.301 -0.303 -1.199 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.214 0.538 -1.754 1.00 0.00 C ATOM 1110 OH TYR A 74 11.437 0.460 -3.094 1.00 0.00 O ATOM 0 H TYR A 74 10.749 -1.528 3.134 1.00 0.00 H new ATOM 0 HA TYR A 74 12.644 0.701 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.637 0.175 2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.258 1.814 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.219 2.254 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.344 -0.878 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.630 2.103 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.766 -1.016 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 74 10.868 -0.239 -3.480 1.00 0.00 H new ATOM 1120 N PRO A 75 11.807 2.187 4.924 1.00 0.00 N ATOM 1121 CA PRO A 75 11.683 2.831 6.220 1.00 0.00 C ATOM 1122 C PRO A 75 10.214 3.082 6.570 1.00 0.00 C ATOM 1123 O PRO A 75 9.824 4.215 6.848 1.00 0.00 O ATOM 1124 CB PRO A 75 12.492 4.113 6.101 1.00 0.00 C ATOM 1125 CG PRO A 75 12.653 4.367 4.611 1.00 0.00 C ATOM 1126 CD PRO A 75 12.264 3.095 3.876 1.00 0.00 C ATOM 0 HA PRO A 75 12.059 2.212 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.980 4.944 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.462 4.009 6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.022 5.198 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.682 4.642 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.478 3.284 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.111 2.677 3.332 1.00 0.00 H new ATOM 1134 N VAL A 76 9.441 2.007 6.544 1.00 0.00 N ATOM 1135 CA VAL A 76 8.025 2.096 6.854 1.00 0.00 C ATOM 1136 C VAL A 76 7.709 1.185 8.043 1.00 0.00 C ATOM 1137 O VAL A 76 8.547 0.384 8.455 1.00 0.00 O ATOM 1138 CB VAL A 76 7.195 1.766 5.612 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.269 0.273 5.284 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.743 2.217 5.787 1.00 0.00 C ATOM 0 H VAL A 76 9.769 1.069 6.313 1.00 0.00 H new ATOM 0 HA VAL A 76 7.761 3.113 7.144 1.00 0.00 H new ATOM 0 HB VAL A 76 7.618 2.316 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.670 0.065 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.305 -0.007 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.884 -0.304 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.175 1.971 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.305 1.708 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.714 3.294 5.950 1.00 0.00 H new ATOM 1150 N ASP A 77 6.500 1.340 8.561 1.00 0.00 N ATOM 1151 CA ASP A 77 6.064 0.542 9.694 1.00 0.00 C ATOM 1152 C ASP A 77 4.553 0.703 9.875 1.00 0.00 C ATOM 1153 O ASP A 77 3.949 1.610 9.305 1.00 0.00 O ATOM 1154 CB ASP A 77 6.745 1.000 10.985 1.00 0.00 C ATOM 1155 CG ASP A 77 8.049 0.274 11.321 1.00 0.00 C ATOM 1156 OD1 ASP A 77 8.041 -0.974 11.241 1.00 0.00 O ATOM 1157 OD2 ASP A 77 9.025 0.982 11.650 1.00 0.00 O ATOM 0 H ASP A 77 5.809 2.006 8.217 1.00 0.00 H new ATOM 0 HA ASP A 77 6.328 -0.497 9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.950 2.068 10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.049 0.866 11.813 1.00 0.00 H new ATOM 1162 N ASP A 78 3.985 -0.192 10.670 1.00 0.00 N ATOM 1163 CA ASP A 78 2.557 -0.161 10.933 1.00 0.00 C ATOM 1164 C ASP A 78 2.195 1.164 11.607 1.00 0.00 C ATOM 1165 O ASP A 78 2.414 1.335 12.805 1.00 0.00 O ATOM 1166 CB ASP A 78 2.144 -1.297 11.871 1.00 0.00 C ATOM 1167 CG ASP A 78 3.131 -1.592 13.002 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.266 -1.997 12.673 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.727 -1.405 14.170 1.00 0.00 O ATOM 0 H ASP A 78 4.489 -0.944 11.141 1.00 0.00 H new ATOM 0 HA ASP A 78 2.037 -0.272 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.176 -1.053 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.008 -2.204 11.282 1.00 0.00 H new ATOM 1174 N GLY A 79 1.648 2.068 10.807 1.00 0.00 N ATOM 1175 CA GLY A 79 1.254 3.373 11.312 1.00 0.00 C ATOM 1176 C GLY A 79 1.558 4.470 10.290 1.00 0.00 C ATOM 1177 O GLY A 79 0.965 5.547 10.335 1.00 0.00 O ATOM 0 H GLY A 79 1.468 1.923 9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.189 3.371 11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.782 3.581 12.243 1.00 0.00 H new ATOM 1181 N CYS A 80 2.483 4.160 9.393 1.00 0.00 N ATOM 1182 CA CYS A 80 2.873 5.106 8.362 1.00 0.00 C ATOM 1183 C CYS A 80 1.677 5.323 7.432 1.00 0.00 C ATOM 1184 O CYS A 80 0.577 4.847 7.708 1.00 0.00 O ATOM 1185 CB CYS A 80 4.112 4.633 7.599 1.00 0.00 C ATOM 1186 SG CYS A 80 5.626 5.247 8.422 1.00 0.00 S ATOM 0 H CYS A 80 2.974 3.266 9.359 1.00 0.00 H new ATOM 0 HA CYS A 80 3.151 6.054 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.128 3.544 7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.076 4.993 6.571 1.00 0.00 H new ATOM 0 HG CYS A 80 5.968 6.389 7.904 1.00 0.00 H new ATOM 1192 N ARG A 81 1.934 6.040 6.348 1.00 0.00 N ATOM 1193 CA ARG A 81 0.893 6.325 5.375 1.00 0.00 C ATOM 1194 C ARG A 81 1.393 6.027 3.960 1.00 0.00 C ATOM 1195 O ARG A 81 2.533 6.341 3.621 1.00 0.00 O ATOM 1196 CB ARG A 81 0.450 7.788 5.455 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.809 8.026 4.618 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.139 9.517 4.537 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.370 10.147 3.440 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.573 11.397 3.002 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.521 12.159 3.564 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.172 11.885 2.001 1.00 0.00 N ATOM 0 H ARG A 81 2.848 6.432 6.122 1.00 0.00 H new ATOM 0 HA ARG A 81 0.040 5.686 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.257 8.057 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.253 8.435 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.664 7.627 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.649 7.487 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.207 9.653 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.902 10.002 5.484 1.00 0.00 H new ATOM 0 HE ARG A 81 0.360 9.595 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.089 11.788 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.675 13.110 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.893 11.305 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.018 12.836 1.667 1.00 0.00 H new ATOM 1216 N ILE A 82 0.515 5.425 3.171 1.00 0.00 N ATOM 1217 CA ILE A 82 0.853 5.081 1.801 1.00 0.00 C ATOM 1218 C ILE A 82 0.027 5.944 0.845 1.00 0.00 C ATOM 1219 O ILE A 82 -1.141 5.654 0.592 1.00 0.00 O ATOM 1220 CB ILE A 82 0.688 3.577 1.569 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.563 2.775 2.535 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.964 3.214 0.109 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.978 2.603 1.979 1.00 0.00 C ATOM 0 H ILE A 82 -0.430 5.167 3.455 1.00 0.00 H new ATOM 0 HA ILE A 82 1.903 5.298 1.602 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.348 3.310 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.606 3.282 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.116 1.797 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.840 2.140 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.265 3.746 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.984 3.497 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.579 2.030 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.933 2.074 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.431 3.583 1.828 1.00 0.00 H new ATOM 1235 N HIS A 83 0.667 6.988 0.339 1.00 0.00 N ATOM 1236 CA HIS A 83 0.007 7.896 -0.584 1.00 0.00 C ATOM 1237 C HIS A 83 0.061 7.317 -1.999 1.00 0.00 C ATOM 1238 O HIS A 83 1.140 7.142 -2.562 1.00 0.00 O ATOM 1239 CB HIS A 83 0.612 9.298 -0.493 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.240 10.376 -1.120 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.518 10.674 -0.679 1.00 0.00 N ATOM 1242 CD2 HIS A 83 0.016 11.224 -2.157 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -1.999 11.657 -1.425 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.047 11.996 -2.341 1.00 0.00 N ATOM 0 H HIS A 83 1.636 7.225 0.551 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.043 7.999 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.777 9.544 0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.589 9.293 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.930 11.261 -2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.974 12.111 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.137 12.723 -3.051 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.119 7.037 -2.535 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.219 6.482 -3.874 1.00 0.00 C ATOM 1254 C VAL A 84 -1.402 7.620 -4.880 1.00 0.00 C ATOM 1255 O VAL A 84 -2.313 8.435 -4.742 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.346 5.449 -3.928 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.592 4.980 -5.364 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.049 4.263 -3.008 1.00 0.00 C ATOM 0 H VAL A 84 -2.013 7.184 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.302 5.957 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.257 5.930 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.398 4.246 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.870 5.833 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.683 4.526 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.866 3.544 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.121 3.784 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.948 4.615 -1.981 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.522 7.638 -5.870 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.575 8.663 -6.899 1.00 0.00 C ATOM 1270 C ILE A 85 -1.344 8.126 -8.108 1.00 0.00 C ATOM 1271 O ILE A 85 -0.808 7.345 -8.892 1.00 0.00 O ATOM 1272 CB ILE A 85 0.834 9.156 -7.237 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.544 9.682 -5.988 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.796 10.199 -8.356 1.00 0.00 C ATOM 1275 CD1 ILE A 85 3.005 10.022 -6.290 1.00 0.00 C ATOM 0 H ILE A 85 0.232 6.960 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.116 9.537 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 85 1.413 8.309 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.029 10.569 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.497 8.934 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.810 10.533 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.357 9.757 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.194 11.051 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.487 10.394 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.523 9.127 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.048 10.788 -7.065 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.589 8.567 -8.220 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.437 8.140 -9.320 1.00 0.00 C ATOM 1289 C ASP A 86 -2.792 8.550 -10.645 1.00 0.00 C ATOM 1290 O ASP A 86 -2.787 9.728 -10.999 1.00 0.00 O ATOM 1291 CB ASP A 86 -4.815 8.801 -9.241 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.835 8.293 -10.261 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.050 7.062 -10.284 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.378 9.147 -10.994 1.00 0.00 O ATOM 0 H ASP A 86 -3.030 9.215 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.551 7.058 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.218 8.648 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.694 9.876 -9.375 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.262 7.555 -11.341 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.615 7.797 -12.619 1.00 0.00 C ATOM 1301 C HIS A 87 -2.528 7.327 -13.754 1.00 0.00 C ATOM 1302 O HIS A 87 -2.050 6.911 -14.808 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.232 7.143 -12.661 1.00 0.00 C ATOM 1304 CG HIS A 87 0.884 8.037 -12.177 1.00 0.00 C ATOM 1305 ND1 HIS A 87 1.514 8.960 -12.994 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.476 8.139 -10.952 1.00 0.00 C ATOM 1307 CE1 HIS A 87 2.442 9.584 -12.283 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.417 9.073 -11.018 1.00 0.00 N ATOM 0 H HIS A 87 -2.268 6.579 -11.044 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.451 8.867 -12.750 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.250 6.239 -12.052 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.018 6.834 -13.684 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.222 7.559 -10.077 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.102 10.360 -12.642 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.022 9.361 -10.249 1.00 0.00 H new