USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 12 CYS SG : rot 80:sc= -0.304 USER MOD Single : A 13 HIS : no HD1:sc= -0.424 X(o=-0.42,f=0.073) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.146! USER MOD Single : A 19 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4!) USER MOD Single : A 20 SER OG : rot -166:sc= -3.24! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -4:sc= 0.609! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -44:sc= 0.632 USER MOD Single : A 30 SER OG : rot -61:sc= 0.214 USER MOD Single : A 33 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= -0.831 (180deg=-3.86!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 150:sc= 0.0229 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.0861 (180deg=-0.689) USER MOD Single : A 62 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.28) USER MOD Single : A 65 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.0096) USER MOD Single : A 67 ASN : amide:sc= -0.681 K(o=-0.68,f=-2.3) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.144 -15.760 -1.621 1.00 0.00 N ATOM 97 CA ILE A 10 -4.002 -14.889 -1.843 1.00 0.00 C ATOM 98 C ILE A 10 -4.150 -13.632 -0.983 1.00 0.00 C ATOM 99 O ILE A 10 -5.263 -13.164 -0.748 1.00 0.00 O ATOM 100 CB ILE A 10 -3.833 -14.597 -3.335 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.407 -14.137 -3.646 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.879 -13.589 -3.819 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.573 -15.284 -4.218 1.00 0.00 C ATOM 0 HA ILE A 10 -3.081 -15.382 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.000 -15.523 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.434 -13.312 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.937 -13.759 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.736 -13.399 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.878 -13.993 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.769 -12.656 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.564 -14.930 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.527 -16.097 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.032 -15.644 -5.139 1.00 0.00 H new ATOM 115 N PHE A 11 -3.012 -13.121 -0.537 1.00 0.00 N ATOM 116 CA PHE A 11 -3.001 -11.927 0.291 1.00 0.00 C ATOM 117 C PHE A 11 -2.085 -10.855 -0.304 1.00 0.00 C ATOM 118 O PHE A 11 -0.986 -11.159 -0.765 1.00 0.00 O ATOM 119 CB PHE A 11 -2.460 -12.339 1.662 1.00 0.00 C ATOM 120 CG PHE A 11 -3.546 -12.716 2.672 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.155 -11.748 3.408 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.902 -14.019 2.833 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.163 -12.098 4.345 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.910 -14.368 3.770 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.519 -13.400 4.506 1.00 0.00 C ATOM 0 H PHE A 11 -2.091 -13.512 -0.733 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.006 -11.511 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.786 -13.186 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.868 -11.519 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.872 -10.714 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.418 -14.788 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.647 -11.330 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.193 -15.402 3.898 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.286 -13.666 5.219 1.00 0.00 H new ATOM 135 N CYS A 12 -2.573 -9.624 -0.274 1.00 0.00 N ATOM 136 CA CYS A 12 -1.812 -8.505 -0.805 1.00 0.00 C ATOM 137 C CYS A 12 -1.123 -7.796 0.363 1.00 0.00 C ATOM 138 O CYS A 12 -1.784 -7.183 1.199 1.00 0.00 O ATOM 139 CB CYS A 12 -2.697 -7.551 -1.610 1.00 0.00 C ATOM 140 SG CYS A 12 -1.693 -6.167 -2.262 1.00 0.00 S ATOM 0 H CYS A 12 -3.485 -9.376 0.109 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.058 -8.872 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.170 -8.087 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.498 -7.165 -0.979 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.054 -6.557 -3.325 1.00 0.00 H new ATOM 146 N HIS A 13 0.198 -7.903 0.381 1.00 0.00 N ATOM 147 CA HIS A 13 0.984 -7.280 1.432 1.00 0.00 C ATOM 148 C HIS A 13 1.132 -5.784 1.144 1.00 0.00 C ATOM 149 O HIS A 13 1.807 -5.395 0.193 1.00 0.00 O ATOM 150 CB HIS A 13 2.331 -7.988 1.596 1.00 0.00 C ATOM 151 CG HIS A 13 2.245 -9.310 2.321 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.459 -10.524 1.693 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.969 -9.594 3.626 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.314 -11.490 2.588 1.00 0.00 C ATOM 155 NE2 HIS A 13 2.010 -10.911 3.786 1.00 0.00 N ATOM 0 H HIS A 13 0.743 -8.412 -0.315 1.00 0.00 H new ATOM 0 HA HIS A 13 0.467 -7.382 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.765 -8.153 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.012 -7.331 2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.754 -8.870 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.418 -12.549 2.402 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.842 -11.409 4.660 1.00 0.00 H new ATOM 163 N VAL A 14 0.489 -4.987 1.985 1.00 0.00 N ATOM 164 CA VAL A 14 0.540 -3.542 1.833 1.00 0.00 C ATOM 165 C VAL A 14 1.396 -2.946 2.952 1.00 0.00 C ATOM 166 O VAL A 14 0.920 -2.764 4.072 1.00 0.00 O ATOM 167 CB VAL A 14 -0.878 -2.970 1.794 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.908 -1.543 2.347 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.451 -3.021 0.376 1.00 0.00 C ATOM 0 H VAL A 14 -0.070 -5.314 2.773 1.00 0.00 H new ATOM 0 HA VAL A 14 1.010 -3.273 0.887 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.508 -3.590 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.927 -1.159 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.560 -1.546 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.258 -0.907 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.460 -2.608 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.820 -2.436 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.482 -4.055 0.033 1.00 0.00 H new ATOM 179 N TYR A 15 2.643 -2.659 2.611 1.00 0.00 N ATOM 180 CA TYR A 15 3.569 -2.087 3.574 1.00 0.00 C ATOM 181 C TYR A 15 3.335 -0.583 3.733 1.00 0.00 C ATOM 182 O TYR A 15 3.569 0.187 2.803 1.00 0.00 O ATOM 183 CB TYR A 15 4.969 -2.315 2.999 1.00 0.00 C ATOM 184 CG TYR A 15 5.276 -3.777 2.670 1.00 0.00 C ATOM 185 CD1 TYR A 15 5.196 -4.738 3.657 1.00 0.00 C ATOM 186 CD2 TYR A 15 5.632 -4.135 1.385 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.485 -6.114 3.347 1.00 0.00 C ATOM 188 CE2 TYR A 15 5.921 -5.511 1.075 1.00 0.00 C ATOM 189 CZ TYR A 15 5.833 -6.433 2.071 1.00 0.00 C ATOM 190 OH TYR A 15 6.106 -7.733 1.778 1.00 0.00 O ATOM 0 H TYR A 15 3.034 -2.812 1.681 1.00 0.00 H new ATOM 0 HA TYR A 15 3.438 -2.548 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.080 -1.718 2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.708 -1.951 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.917 -4.458 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.694 -3.383 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.427 -6.876 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.201 -5.804 0.074 1.00 0.00 H new ATOM 0 HH TYR A 15 6.339 -7.813 0.829 1.00 0.00 H new ATOM 200 N ILE A 16 2.877 -0.210 4.919 1.00 0.00 N ATOM 201 CA ILE A 16 2.608 1.187 5.212 1.00 0.00 C ATOM 202 C ILE A 16 3.927 1.964 5.222 1.00 0.00 C ATOM 203 O ILE A 16 4.104 2.901 4.445 1.00 0.00 O ATOM 204 CB ILE A 16 1.808 1.319 6.510 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.538 0.467 6.459 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.503 2.785 6.820 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.126 0.013 7.860 1.00 0.00 C ATOM 0 H ILE A 16 2.685 -0.852 5.688 1.00 0.00 H new ATOM 0 HA ILE A 16 1.983 1.626 4.434 1.00 0.00 H new ATOM 0 HB ILE A 16 2.419 0.938 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.271 1.040 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.705 -0.404 5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.934 2.850 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.437 3.336 6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.920 3.215 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.779 -0.591 7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.927 -0.580 8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.064 0.886 8.484 1.00 0.00 H new ATOM 219 N THR A 17 4.817 1.545 6.109 1.00 0.00 N ATOM 220 CA THR A 17 6.113 2.190 6.230 1.00 0.00 C ATOM 221 C THR A 17 7.235 1.154 6.134 1.00 0.00 C ATOM 222 O THR A 17 7.226 0.304 5.245 1.00 0.00 O ATOM 223 CB THR A 17 6.128 2.982 7.538 1.00 0.00 C ATOM 224 OG1 THR A 17 7.437 3.543 7.591 1.00 0.00 O ATOM 225 CG2 THR A 17 6.060 2.078 8.771 1.00 0.00 C ATOM 0 H THR A 17 4.666 0.767 6.751 1.00 0.00 H new ATOM 0 HA THR A 17 6.285 2.887 5.410 1.00 0.00 H new ATOM 0 HB THR A 17 5.288 3.677 7.550 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.532 4.075 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.074 2.691 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.140 1.494 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.917 1.405 8.777 1.00 0.00 H new ATOM 233 N GLU A 18 8.175 1.259 7.062 1.00 0.00 N ATOM 234 CA GLU A 18 9.301 0.342 7.094 1.00 0.00 C ATOM 235 C GLU A 18 8.852 -1.034 7.591 1.00 0.00 C ATOM 236 O GLU A 18 8.685 -1.960 6.799 1.00 0.00 O ATOM 237 CB GLU A 18 10.434 0.895 7.961 1.00 0.00 C ATOM 238 CG GLU A 18 11.677 0.007 7.870 1.00 0.00 C ATOM 239 CD GLU A 18 12.622 0.497 6.771 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.392 0.104 5.608 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.554 1.254 7.120 1.00 0.00 O ATOM 0 H GLU A 18 8.180 1.966 7.798 1.00 0.00 H new ATOM 0 HA GLU A 18 9.684 0.233 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.681 1.907 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.105 0.961 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.198 0.005 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.379 -1.022 7.667 1.00 0.00 H new ATOM 248 N HIS A 19 8.669 -1.123 8.900 1.00 0.00 N ATOM 249 CA HIS A 19 8.242 -2.370 9.512 1.00 0.00 C ATOM 250 C HIS A 19 6.747 -2.300 9.832 1.00 0.00 C ATOM 251 O HIS A 19 6.327 -2.653 10.932 1.00 0.00 O ATOM 252 CB HIS A 19 9.096 -2.693 10.740 1.00 0.00 C ATOM 253 CG HIS A 19 10.569 -2.414 10.555 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.378 -1.951 11.577 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.368 -2.539 9.457 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.607 -1.806 11.104 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.599 -2.171 9.789 1.00 0.00 N ATOM 0 H HIS A 19 8.808 -0.352 9.554 1.00 0.00 H new ATOM 0 HA HIS A 19 8.390 -3.192 8.812 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.730 -2.112 11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.965 -3.745 10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.052 -2.880 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.465 -1.460 11.661 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.406 -2.162 9.165 1.00 0.00 H new ATOM 265 N SER A 20 5.986 -1.842 8.849 1.00 0.00 N ATOM 266 CA SER A 20 4.547 -1.721 9.011 1.00 0.00 C ATOM 267 C SER A 20 3.838 -2.148 7.724 1.00 0.00 C ATOM 268 O SER A 20 4.261 -1.784 6.628 1.00 0.00 O ATOM 269 CB SER A 20 4.154 -0.290 9.385 1.00 0.00 C ATOM 270 OG SER A 20 5.061 0.286 10.320 1.00 0.00 O ATOM 0 H SER A 20 6.339 -1.550 7.937 1.00 0.00 H new ATOM 0 HA SER A 20 4.237 -2.378 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.123 0.324 8.485 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.149 -0.289 9.807 1.00 0.00 H new ATOM 0 HG SER A 20 4.667 1.098 10.700 1.00 0.00 H new ATOM 276 N TYR A 21 2.771 -2.913 7.901 1.00 0.00 N ATOM 277 CA TYR A 21 1.999 -3.393 6.768 1.00 0.00 C ATOM 278 C TYR A 21 0.591 -3.810 7.200 1.00 0.00 C ATOM 279 O TYR A 21 0.232 -3.676 8.369 1.00 0.00 O ATOM 280 CB TYR A 21 2.742 -4.622 6.241 1.00 0.00 C ATOM 281 CG TYR A 21 2.369 -5.926 6.948 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.512 -6.035 8.316 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.888 -6.994 6.218 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.160 -7.262 8.982 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.536 -8.222 6.884 1.00 0.00 C ATOM 286 CZ TYR A 21 1.690 -8.295 8.233 1.00 0.00 C ATOM 287 OH TYR A 21 1.358 -9.454 8.862 1.00 0.00 O ATOM 0 H TYR A 21 2.423 -3.212 8.812 1.00 0.00 H new ATOM 0 HA TYR A 21 1.897 -2.611 6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.538 -4.728 5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.814 -4.458 6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.888 -5.199 8.888 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.775 -6.909 5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.267 -7.360 10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.158 -9.065 6.325 1.00 0.00 H new ATOM 0 HH TYR A 21 1.036 -10.104 8.203 1.00 0.00 H new ATOM 297 N VAL A 22 -0.167 -4.307 6.234 1.00 0.00 N ATOM 298 CA VAL A 22 -1.527 -4.744 6.500 1.00 0.00 C ATOM 299 C VAL A 22 -1.891 -5.878 5.539 1.00 0.00 C ATOM 300 O VAL A 22 -1.811 -5.715 4.323 1.00 0.00 O ATOM 301 CB VAL A 22 -2.486 -3.555 6.412 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.272 -2.773 5.114 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.940 -4.012 6.543 1.00 0.00 C ATOM 0 H VAL A 22 0.135 -4.417 5.266 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.610 -5.137 7.513 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.269 -2.887 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.966 -1.933 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.249 -2.400 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.449 -3.428 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.600 -3.147 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.176 -4.711 5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.081 -4.504 7.505 1.00 0.00 H new ATOM 313 N SER A 23 -2.283 -7.001 6.122 1.00 0.00 N ATOM 314 CA SER A 23 -2.659 -8.162 5.332 1.00 0.00 C ATOM 315 C SER A 23 -4.047 -7.953 4.724 1.00 0.00 C ATOM 316 O SER A 23 -5.011 -7.693 5.442 1.00 0.00 O ATOM 317 CB SER A 23 -2.637 -9.435 6.180 1.00 0.00 C ATOM 318 OG SER A 23 -3.839 -9.600 6.928 1.00 0.00 O ATOM 0 H SER A 23 -2.349 -7.132 7.131 1.00 0.00 H new ATOM 0 HA SER A 23 -1.932 -8.280 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.492 -10.299 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.787 -9.401 6.862 1.00 0.00 H new ATOM 0 HG SER A 23 -4.420 -8.823 6.790 1.00 0.00 H new ATOM 324 N VAL A 24 -4.105 -8.075 3.406 1.00 0.00 N ATOM 325 CA VAL A 24 -5.359 -7.903 2.693 1.00 0.00 C ATOM 326 C VAL A 24 -5.639 -9.151 1.853 1.00 0.00 C ATOM 327 O VAL A 24 -4.835 -9.523 1.000 1.00 0.00 O ATOM 328 CB VAL A 24 -5.316 -6.620 1.860 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.622 -6.423 1.088 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.010 -5.405 2.740 1.00 0.00 C ATOM 0 H VAL A 24 -3.304 -8.291 2.813 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.185 -7.792 3.396 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.510 -6.719 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.565 -5.504 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.780 -7.269 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.453 -6.356 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.985 -4.506 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.784 -5.302 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.042 -5.540 3.223 1.00 0.00 H new ATOM 340 N LYS A 25 -6.782 -9.763 2.124 1.00 0.00 N ATOM 341 CA LYS A 25 -7.178 -10.962 1.405 1.00 0.00 C ATOM 342 C LYS A 25 -8.013 -10.567 0.185 1.00 0.00 C ATOM 343 O LYS A 25 -9.209 -10.309 0.304 1.00 0.00 O ATOM 344 CB LYS A 25 -7.886 -11.941 2.343 1.00 0.00 C ATOM 345 CG LYS A 25 -8.233 -13.242 1.617 1.00 0.00 C ATOM 346 CD LYS A 25 -9.013 -14.189 2.532 1.00 0.00 C ATOM 347 CE LYS A 25 -8.513 -15.628 2.385 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.572 -16.586 2.775 1.00 0.00 N ATOM 0 H LYS A 25 -7.447 -9.451 2.832 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.300 -11.491 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.246 -12.157 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.796 -11.484 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.824 -13.020 0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.318 -13.729 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.908 -13.868 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.075 -14.142 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.211 -15.811 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.631 -15.778 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.217 -17.558 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.841 -16.421 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.403 -16.453 2.164 1.00 0.00 H new ATOM 362 N ALA A 26 -7.348 -10.532 -0.961 1.00 0.00 N ATOM 363 CA ALA A 26 -8.014 -10.172 -2.201 1.00 0.00 C ATOM 364 C ALA A 26 -7.938 -11.350 -3.175 1.00 0.00 C ATOM 365 O ALA A 26 -7.378 -12.395 -2.849 1.00 0.00 O ATOM 366 CB ALA A 26 -7.380 -8.902 -2.772 1.00 0.00 C ATOM 0 H ALA A 26 -6.355 -10.747 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.068 -9.958 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.880 -8.632 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.485 -8.088 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.322 -9.079 -2.967 1.00 0.00 H new ATOM 372 N LYS A 27 -8.511 -11.141 -4.352 1.00 0.00 N ATOM 373 CA LYS A 27 -8.515 -12.172 -5.376 1.00 0.00 C ATOM 374 C LYS A 27 -7.156 -12.193 -6.078 1.00 0.00 C ATOM 375 O LYS A 27 -6.406 -11.221 -6.016 1.00 0.00 O ATOM 376 CB LYS A 27 -9.697 -11.976 -6.328 1.00 0.00 C ATOM 377 CG LYS A 27 -10.985 -11.693 -5.553 1.00 0.00 C ATOM 378 CD LYS A 27 -11.617 -12.991 -5.046 1.00 0.00 C ATOM 379 CE LYS A 27 -13.112 -12.805 -4.780 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.556 -13.689 -3.680 1.00 0.00 N ATOM 0 H LYS A 27 -8.976 -10.273 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.657 -13.155 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.488 -11.149 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.826 -12.868 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.770 -11.036 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.692 -11.167 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.470 -13.782 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.118 -13.310 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.315 -11.765 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.679 -13.027 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.573 -13.550 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.380 -14.681 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.028 -13.458 -2.814 1.00 0.00 H new ATOM 394 N VAL A 28 -6.880 -13.314 -6.729 1.00 0.00 N ATOM 395 CA VAL A 28 -5.624 -13.475 -7.442 1.00 0.00 C ATOM 396 C VAL A 28 -5.588 -12.507 -8.627 1.00 0.00 C ATOM 397 O VAL A 28 -4.538 -12.303 -9.234 1.00 0.00 O ATOM 398 CB VAL A 28 -5.443 -14.936 -7.859 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.356 -15.848 -6.633 1.00 0.00 C ATOM 400 CG2 VAL A 28 -6.566 -15.383 -8.797 1.00 0.00 C ATOM 0 H VAL A 28 -7.504 -14.119 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.783 -13.229 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.502 -15.015 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.228 -16.881 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.506 -15.552 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.273 -15.762 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.413 -16.425 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.526 -15.281 -8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.561 -14.762 -9.692 1.00 0.00 H new ATOM 410 N SER A 29 -6.747 -11.937 -8.920 1.00 0.00 N ATOM 411 CA SER A 29 -6.861 -10.995 -10.021 1.00 0.00 C ATOM 412 C SER A 29 -7.569 -9.723 -9.550 1.00 0.00 C ATOM 413 O SER A 29 -8.286 -9.086 -10.321 1.00 0.00 O ATOM 414 CB SER A 29 -7.612 -11.615 -11.201 1.00 0.00 C ATOM 415 OG SER A 29 -7.624 -10.755 -12.337 1.00 0.00 O ATOM 0 H SER A 29 -7.616 -12.109 -8.414 1.00 0.00 H new ATOM 0 HA SER A 29 -5.856 -10.740 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.146 -12.563 -11.469 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.637 -11.836 -10.903 1.00 0.00 H new ATOM 0 HG SER A 29 -7.831 -9.840 -12.053 1.00 0.00 H new ATOM 421 N SER A 30 -7.343 -9.391 -8.288 1.00 0.00 N ATOM 422 CA SER A 30 -7.951 -8.206 -7.706 1.00 0.00 C ATOM 423 C SER A 30 -7.108 -6.972 -8.031 1.00 0.00 C ATOM 424 O SER A 30 -5.904 -7.081 -8.262 1.00 0.00 O ATOM 425 CB SER A 30 -8.110 -8.356 -6.191 1.00 0.00 C ATOM 426 OG SER A 30 -9.469 -8.563 -5.815 1.00 0.00 O ATOM 0 H SER A 30 -6.748 -9.921 -7.652 1.00 0.00 H new ATOM 0 HA SER A 30 -8.944 -8.084 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.506 -9.195 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.729 -7.463 -5.696 1.00 0.00 H new ATOM 0 HG SER A 30 -10.007 -7.793 -6.095 1.00 0.00 H new ATOM 432 N ILE A 31 -7.772 -5.826 -8.038 1.00 0.00 N ATOM 433 CA ILE A 31 -7.098 -4.572 -8.331 1.00 0.00 C ATOM 434 C ILE A 31 -6.561 -3.971 -7.031 1.00 0.00 C ATOM 435 O ILE A 31 -6.978 -4.363 -5.942 1.00 0.00 O ATOM 436 CB ILE A 31 -8.026 -3.633 -9.105 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.390 -3.523 -8.420 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.152 -4.069 -10.566 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.128 -2.260 -8.868 1.00 0.00 C ATOM 0 H ILE A 31 -8.770 -5.739 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.241 -4.743 -8.982 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.583 -2.637 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.991 -4.402 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.257 -3.507 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.817 -3.385 -11.094 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.169 -4.054 -11.036 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.560 -5.079 -10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.094 -2.206 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.536 -1.382 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.280 -2.291 -9.947 1.00 0.00 H new ATOM 451 N ALA A 32 -5.642 -3.029 -7.187 1.00 0.00 N ATOM 452 CA ALA A 32 -5.043 -2.370 -6.039 1.00 0.00 C ATOM 453 C ALA A 32 -6.145 -1.737 -5.187 1.00 0.00 C ATOM 454 O ALA A 32 -6.115 -1.825 -3.961 1.00 0.00 O ATOM 455 CB ALA A 32 -4.015 -1.343 -6.518 1.00 0.00 C ATOM 0 H ALA A 32 -5.298 -2.707 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.516 -3.092 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.566 -0.849 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.238 -1.847 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.508 -0.601 -7.146 1.00 0.00 H new ATOM 461 N GLN A 33 -7.093 -1.113 -5.871 1.00 0.00 N ATOM 462 CA GLN A 33 -8.203 -0.465 -5.193 1.00 0.00 C ATOM 463 C GLN A 33 -8.849 -1.428 -4.195 1.00 0.00 C ATOM 464 O GLN A 33 -9.166 -1.042 -3.070 1.00 0.00 O ATOM 465 CB GLN A 33 -9.232 0.055 -6.198 1.00 0.00 C ATOM 466 CG GLN A 33 -10.510 0.508 -5.490 1.00 0.00 C ATOM 467 CD GLN A 33 -10.352 1.922 -4.925 1.00 0.00 C ATOM 468 OE1 GLN A 33 -9.692 2.148 -3.924 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.993 2.857 -5.621 1.00 0.00 N ATOM 0 H GLN A 33 -7.115 -1.042 -6.888 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.817 0.393 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.808 0.888 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.469 -0.728 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.346 0.483 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.749 -0.185 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.528 2.599 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.950 3.832 -5.325 1.00 0.00 H new ATOM 478 N GLU A 34 -9.026 -2.663 -4.641 1.00 0.00 N ATOM 479 CA GLU A 34 -9.628 -3.684 -3.801 1.00 0.00 C ATOM 480 C GLU A 34 -8.840 -3.833 -2.499 1.00 0.00 C ATOM 481 O GLU A 34 -9.342 -4.392 -1.525 1.00 0.00 O ATOM 482 CB GLU A 34 -9.721 -5.019 -4.542 1.00 0.00 C ATOM 483 CG GLU A 34 -10.818 -4.979 -5.608 1.00 0.00 C ATOM 484 CD GLU A 34 -11.964 -5.929 -5.252 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.600 -5.684 -4.205 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.177 -6.880 -6.036 1.00 0.00 O ATOM 0 H GLU A 34 -8.763 -2.980 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.643 -3.372 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.763 -5.247 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.928 -5.820 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.200 -3.963 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.400 -5.255 -6.576 1.00 0.00 H new ATOM 493 N ILE A 35 -7.617 -3.324 -2.523 1.00 0.00 N ATOM 494 CA ILE A 35 -6.754 -3.394 -1.357 1.00 0.00 C ATOM 495 C ILE A 35 -6.780 -2.049 -0.626 1.00 0.00 C ATOM 496 O ILE A 35 -6.949 -2.004 0.591 1.00 0.00 O ATOM 497 CB ILE A 35 -5.349 -3.849 -1.756 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.409 -4.925 -2.842 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.554 -4.312 -0.533 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.204 -6.142 -2.364 1.00 0.00 C ATOM 0 H ILE A 35 -7.203 -2.861 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.121 -4.145 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.820 -2.994 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.870 -4.515 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.398 -5.230 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.559 -4.630 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.466 -3.489 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.070 -5.147 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.232 -6.892 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.726 -6.564 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.221 -5.838 -2.117 1.00 0.00 H new ATOM 512 N LEU A 36 -6.611 -0.988 -1.401 1.00 0.00 N ATOM 513 CA LEU A 36 -6.614 0.354 -0.843 1.00 0.00 C ATOM 514 C LEU A 36 -7.920 0.581 -0.080 1.00 0.00 C ATOM 515 O LEU A 36 -7.918 1.177 0.996 1.00 0.00 O ATOM 516 CB LEU A 36 -6.353 1.390 -1.939 1.00 0.00 C ATOM 517 CG LEU A 36 -6.092 2.820 -1.461 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.662 2.971 -0.941 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.412 3.833 -2.562 1.00 0.00 C ATOM 0 H LEU A 36 -6.471 -1.030 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.801 0.471 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.495 1.061 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.211 1.403 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.762 3.029 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.502 3.996 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.505 2.289 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.958 2.735 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.218 4.841 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.785 3.635 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.461 3.745 -2.844 1.00 0.00 H new ATOM 531 N LYS A 37 -9.004 0.095 -0.666 1.00 0.00 N ATOM 532 CA LYS A 37 -10.314 0.238 -0.054 1.00 0.00 C ATOM 533 C LYS A 37 -10.330 -0.502 1.285 1.00 0.00 C ATOM 534 O LYS A 37 -11.063 -0.124 2.198 1.00 0.00 O ATOM 535 CB LYS A 37 -11.409 -0.217 -1.021 1.00 0.00 C ATOM 536 CG LYS A 37 -11.258 -1.701 -1.363 1.00 0.00 C ATOM 537 CD LYS A 37 -12.373 -2.528 -0.721 1.00 0.00 C ATOM 538 CE LYS A 37 -12.298 -3.989 -1.168 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.656 -4.535 -1.387 1.00 0.00 N ATOM 0 H LYS A 37 -9.002 -0.399 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.523 1.286 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.388 -0.041 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.362 0.377 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.280 -1.833 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.289 -2.061 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.294 -2.472 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.343 -2.110 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.717 -4.065 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.779 -4.580 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.586 -5.527 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.199 -4.480 -0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.138 -3.981 -2.124 1.00 0.00 H new ATOM 553 N VAL A 38 -9.513 -1.543 1.360 1.00 0.00 N ATOM 554 CA VAL A 38 -9.425 -2.339 2.572 1.00 0.00 C ATOM 555 C VAL A 38 -8.421 -1.693 3.529 1.00 0.00 C ATOM 556 O VAL A 38 -8.752 -1.397 4.676 1.00 0.00 O ATOM 557 CB VAL A 38 -9.072 -3.786 2.223 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.244 -4.700 3.437 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.904 -4.283 1.039 1.00 0.00 C ATOM 0 H VAL A 38 -8.906 -1.853 0.601 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.388 -2.367 3.081 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.023 -3.814 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.987 -5.723 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.589 -4.365 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.280 -4.665 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.633 -5.314 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.963 -4.233 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.709 -3.656 0.169 1.00 0.00 H new ATOM 569 N VAL A 39 -7.213 -1.493 3.022 1.00 0.00 N ATOM 570 CA VAL A 39 -6.158 -0.887 3.817 1.00 0.00 C ATOM 571 C VAL A 39 -6.672 0.419 4.427 1.00 0.00 C ATOM 572 O VAL A 39 -6.592 0.615 5.639 1.00 0.00 O ATOM 573 CB VAL A 39 -4.903 -0.695 2.963 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.756 -0.120 3.796 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.490 -2.007 2.293 1.00 0.00 C ATOM 0 H VAL A 39 -6.941 -1.740 2.070 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.876 -1.542 4.641 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.139 0.023 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.876 0.007 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.052 0.846 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.522 -0.803 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.596 -1.843 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.281 -2.756 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.298 -2.358 1.652 1.00 0.00 H new ATOM 585 N ALA A 40 -7.187 1.277 3.560 1.00 0.00 N ATOM 586 CA ALA A 40 -7.713 2.559 3.999 1.00 0.00 C ATOM 587 C ALA A 40 -8.448 2.375 5.328 1.00 0.00 C ATOM 588 O ALA A 40 -8.254 3.153 6.261 1.00 0.00 O ATOM 589 CB ALA A 40 -8.616 3.140 2.909 1.00 0.00 C ATOM 0 H ALA A 40 -7.252 1.110 2.556 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.904 3.270 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.011 4.101 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.040 3.278 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.442 2.455 2.717 1.00 0.00 H new ATOM 595 N GLU A 41 -9.277 1.343 5.372 1.00 0.00 N ATOM 596 CA GLU A 41 -10.042 1.048 6.571 1.00 0.00 C ATOM 597 C GLU A 41 -9.122 0.511 7.669 1.00 0.00 C ATOM 598 O GLU A 41 -9.272 0.865 8.838 1.00 0.00 O ATOM 599 CB GLU A 41 -11.172 0.060 6.272 1.00 0.00 C ATOM 600 CG GLU A 41 -11.859 0.398 4.947 1.00 0.00 C ATOM 601 CD GLU A 41 -13.350 0.672 5.158 1.00 0.00 C ATOM 602 OE1 GLU A 41 -14.038 -0.262 5.623 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.767 1.809 4.848 1.00 0.00 O ATOM 0 H GLU A 41 -9.436 0.700 4.596 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.497 1.973 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.773 -0.953 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.903 0.082 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.385 1.271 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.733 -0.427 4.246 1.00 0.00 H new ATOM 610 N LYS A 42 -8.189 -0.333 7.255 1.00 0.00 N ATOM 611 CA LYS A 42 -7.244 -0.922 8.189 1.00 0.00 C ATOM 612 C LYS A 42 -6.368 0.182 8.785 1.00 0.00 C ATOM 613 O LYS A 42 -5.725 -0.019 9.814 1.00 0.00 O ATOM 614 CB LYS A 42 -6.448 -2.040 7.513 1.00 0.00 C ATOM 615 CG LYS A 42 -6.902 -3.414 8.011 1.00 0.00 C ATOM 616 CD LYS A 42 -8.410 -3.594 7.826 1.00 0.00 C ATOM 617 CE LYS A 42 -8.737 -4.059 6.406 1.00 0.00 C ATOM 618 NZ LYS A 42 -10.191 -4.291 6.258 1.00 0.00 N ATOM 0 H LYS A 42 -8.067 -0.623 6.285 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.772 -1.394 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.576 -1.980 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.385 -1.909 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.370 -4.195 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.645 -3.526 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.784 -4.322 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.920 -2.653 8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.407 -3.309 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.192 -4.976 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.351 -5.220 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.643 -4.267 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.602 -3.549 5.656 1.00 0.00 H new ATOM 632 N ILE A 43 -6.372 1.324 8.114 1.00 0.00 N ATOM 633 CA ILE A 43 -5.586 2.460 8.564 1.00 0.00 C ATOM 634 C ILE A 43 -6.527 3.598 8.965 1.00 0.00 C ATOM 635 O ILE A 43 -6.080 4.632 9.460 1.00 0.00 O ATOM 636 CB ILE A 43 -4.559 2.856 7.502 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.115 3.944 6.580 1.00 0.00 C ATOM 638 CG2 ILE A 43 -4.080 1.632 6.719 1.00 0.00 C ATOM 639 CD1 ILE A 43 -4.245 4.103 5.332 1.00 0.00 C ATOM 0 H ILE A 43 -6.908 1.487 7.261 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.008 2.197 9.450 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.689 3.276 8.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.134 3.692 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.163 4.891 7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.351 1.941 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.618 0.920 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.930 1.161 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.663 4.882 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.233 4.379 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.219 3.161 4.784 1.00 0.00 H new ATOM 651 N GLN A 44 -7.812 3.370 8.738 1.00 0.00 N ATOM 652 CA GLN A 44 -8.819 4.363 9.069 1.00 0.00 C ATOM 653 C GLN A 44 -8.595 5.638 8.253 1.00 0.00 C ATOM 654 O GLN A 44 -8.305 6.695 8.813 1.00 0.00 O ATOM 655 CB GLN A 44 -8.819 4.665 10.569 1.00 0.00 C ATOM 656 CG GLN A 44 -8.738 3.375 11.388 1.00 0.00 C ATOM 657 CD GLN A 44 -9.029 3.645 12.866 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.054 3.258 13.404 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.074 4.328 13.489 1.00 0.00 N ATOM 0 H GLN A 44 -8.179 2.511 8.328 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.798 3.958 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.974 5.309 10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.724 5.212 10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.452 2.648 11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.746 2.935 11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.241 4.621 12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.174 4.559 14.478 1.00 0.00 H new ATOM 668 N TYR A 45 -8.739 5.497 6.944 1.00 0.00 N ATOM 669 CA TYR A 45 -8.556 6.625 6.045 1.00 0.00 C ATOM 670 C TYR A 45 -9.492 6.522 4.839 1.00 0.00 C ATOM 671 O TYR A 45 -10.423 5.718 4.838 1.00 0.00 O ATOM 672 CB TYR A 45 -7.108 6.547 5.560 1.00 0.00 C ATOM 673 CG TYR A 45 -6.316 7.842 5.752 1.00 0.00 C ATOM 674 CD1 TYR A 45 -6.951 9.062 5.641 1.00 0.00 C ATOM 675 CD2 TYR A 45 -4.966 7.790 6.037 1.00 0.00 C ATOM 676 CE1 TYR A 45 -6.206 10.281 5.823 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.221 9.009 6.218 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.878 10.194 6.102 1.00 0.00 C ATOM 679 OH TYR A 45 -4.174 11.345 6.273 1.00 0.00 O ATOM 0 H TYR A 45 -8.980 4.619 6.484 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.776 7.563 6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.601 5.741 6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.104 6.284 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.007 9.103 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.469 6.835 6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.691 11.242 5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.165 8.983 6.441 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.437 11.187 6.899 1.00 0.00 H new ATOM 689 N ALA A 46 -9.213 7.348 3.842 1.00 0.00 N ATOM 690 CA ALA A 46 -10.018 7.360 2.633 1.00 0.00 C ATOM 691 C ALA A 46 -9.181 6.842 1.462 1.00 0.00 C ATOM 692 O ALA A 46 -8.313 7.550 0.953 1.00 0.00 O ATOM 693 CB ALA A 46 -10.550 8.774 2.388 1.00 0.00 C ATOM 0 H ALA A 46 -8.440 8.014 3.847 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.879 6.701 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.154 8.783 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.162 9.084 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.713 9.463 2.274 1.00 0.00 H new ATOM 699 N GLU A 47 -9.469 5.610 1.070 1.00 0.00 N ATOM 700 CA GLU A 47 -8.753 4.988 -0.031 1.00 0.00 C ATOM 701 C GLU A 47 -8.439 6.024 -1.113 1.00 0.00 C ATOM 702 O GLU A 47 -7.314 6.091 -1.605 1.00 0.00 O ATOM 703 CB GLU A 47 -9.548 3.816 -0.610 1.00 0.00 C ATOM 704 CG GLU A 47 -11.017 4.194 -0.807 1.00 0.00 C ATOM 705 CD GLU A 47 -11.828 2.999 -1.313 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.535 2.553 -2.444 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.721 2.558 -0.558 1.00 0.00 O ATOM 0 H GLU A 47 -10.189 5.025 1.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.812 4.593 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.115 3.514 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.476 2.958 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.434 4.548 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.092 5.016 -1.518 1.00 0.00 H new ATOM 714 N GLU A 48 -9.453 6.807 -1.450 1.00 0.00 N ATOM 715 CA GLU A 48 -9.300 7.836 -2.464 1.00 0.00 C ATOM 716 C GLU A 48 -8.137 8.764 -2.106 1.00 0.00 C ATOM 717 O GLU A 48 -7.295 9.064 -2.951 1.00 0.00 O ATOM 718 CB GLU A 48 -10.597 8.627 -2.643 1.00 0.00 C ATOM 719 CG GLU A 48 -11.061 9.228 -1.315 1.00 0.00 C ATOM 720 CD GLU A 48 -12.582 9.394 -1.290 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.265 8.432 -1.701 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.027 10.481 -0.860 1.00 0.00 O ATOM 0 H GLU A 48 -10.384 6.749 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.075 7.352 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.444 9.422 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.373 7.974 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.748 8.586 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.583 10.196 -1.163 1.00 0.00 H new ATOM 729 N ASP A 49 -8.127 9.192 -0.852 1.00 0.00 N ATOM 730 CA ASP A 49 -7.082 10.080 -0.372 1.00 0.00 C ATOM 731 C ASP A 49 -5.759 9.313 -0.306 1.00 0.00 C ATOM 732 O ASP A 49 -4.703 9.908 -0.099 1.00 0.00 O ATOM 733 CB ASP A 49 -7.400 10.596 1.033 1.00 0.00 C ATOM 734 CG ASP A 49 -8.735 11.331 1.164 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.217 11.823 0.121 1.00 0.00 O ATOM 736 OD2 ASP A 49 -9.243 11.385 2.305 1.00 0.00 O ATOM 0 H ASP A 49 -8.826 8.940 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.014 10.924 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.398 9.752 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.600 11.267 1.347 1.00 0.00 H new ATOM 741 N LEU A 50 -5.861 8.005 -0.486 1.00 0.00 N ATOM 742 CA LEU A 50 -4.685 7.151 -0.449 1.00 0.00 C ATOM 743 C LEU A 50 -4.299 6.761 -1.877 1.00 0.00 C ATOM 744 O LEU A 50 -4.959 7.162 -2.835 1.00 0.00 O ATOM 745 CB LEU A 50 -4.922 5.953 0.472 1.00 0.00 C ATOM 746 CG LEU A 50 -4.886 6.244 1.974 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.396 7.655 2.271 1.00 0.00 C ATOM 748 CD2 LEU A 50 -5.656 5.179 2.757 1.00 0.00 C ATOM 0 H LEU A 50 -6.739 7.515 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.837 7.688 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.892 5.520 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.170 5.195 0.251 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.849 6.200 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.360 7.836 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.768 8.384 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.424 7.752 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.615 5.409 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.695 5.166 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.207 4.202 2.580 1.00 0.00 H new ATOM 760 N ALA A 51 -3.229 5.985 -1.976 1.00 0.00 N ATOM 761 CA ALA A 51 -2.747 5.537 -3.271 1.00 0.00 C ATOM 762 C ALA A 51 -1.711 4.429 -3.070 1.00 0.00 C ATOM 763 O ALA A 51 -0.929 4.471 -2.122 1.00 0.00 O ATOM 764 CB ALA A 51 -2.181 6.729 -4.046 1.00 0.00 C ATOM 0 H ALA A 51 -2.683 5.655 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.564 5.122 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.819 6.393 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.963 7.475 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.357 7.170 -3.485 1.00 0.00 H new ATOM 770 N LEU A 52 -1.741 3.463 -3.976 1.00 0.00 N ATOM 771 CA LEU A 52 -0.815 2.346 -3.910 1.00 0.00 C ATOM 772 C LEU A 52 0.523 2.760 -4.525 1.00 0.00 C ATOM 773 O LEU A 52 0.604 3.023 -5.724 1.00 0.00 O ATOM 774 CB LEU A 52 -1.429 1.102 -4.555 1.00 0.00 C ATOM 775 CG LEU A 52 -2.566 0.436 -3.778 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.493 0.786 -2.290 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.926 0.790 -4.384 1.00 0.00 C ATOM 0 H LEU A 52 -2.393 3.431 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.619 2.076 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.801 1.375 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.638 0.367 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.448 -0.644 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.313 0.300 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.543 0.442 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.571 1.866 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.717 0.304 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.068 1.870 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.963 0.449 -5.418 1.00 0.00 H new ATOM 789 N VAL A 53 1.540 2.807 -3.676 1.00 0.00 N ATOM 790 CA VAL A 53 2.870 3.185 -4.122 1.00 0.00 C ATOM 791 C VAL A 53 3.712 1.924 -4.328 1.00 0.00 C ATOM 792 O VAL A 53 3.779 1.068 -3.447 1.00 0.00 O ATOM 793 CB VAL A 53 3.495 4.166 -3.128 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.011 4.248 -3.319 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.852 5.549 -3.245 1.00 0.00 C ATOM 0 H VAL A 53 1.469 2.590 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 53 2.820 3.702 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 53 3.304 3.792 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.431 4.952 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.451 3.263 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.232 4.587 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.314 6.227 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.998 5.934 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.785 5.473 -3.037 1.00 0.00 H new ATOM 805 N ALA A 54 4.333 1.850 -5.496 1.00 0.00 N ATOM 806 CA ALA A 54 5.168 0.708 -5.828 1.00 0.00 C ATOM 807 C ALA A 54 6.637 1.136 -5.819 1.00 0.00 C ATOM 808 O ALA A 54 6.995 2.151 -6.413 1.00 0.00 O ATOM 809 CB ALA A 54 4.736 0.136 -7.180 1.00 0.00 C ATOM 0 H ALA A 54 4.275 2.562 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 54 5.050 -0.082 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.362 -0.721 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.694 -0.180 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.844 0.900 -7.950 1.00 0.00 H new ATOM 815 N ILE A 55 7.448 0.340 -5.137 1.00 0.00 N ATOM 816 CA ILE A 55 8.870 0.624 -5.042 1.00 0.00 C ATOM 817 C ILE A 55 9.649 -0.429 -5.833 1.00 0.00 C ATOM 818 O ILE A 55 9.671 -1.601 -5.460 1.00 0.00 O ATOM 819 CB ILE A 55 9.298 0.734 -3.577 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.230 1.448 -2.746 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.666 1.408 -3.455 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.126 2.923 -3.139 1.00 0.00 C ATOM 0 H ILE A 55 7.147 -0.501 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 55 9.096 1.592 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 55 9.399 -0.274 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.266 0.961 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.473 1.366 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.947 1.474 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.410 0.821 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.617 2.410 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.360 3.408 -2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.085 3.413 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.859 3.001 -4.193 1.00 0.00 H new ATOM 834 N THR A 56 10.269 0.027 -6.912 1.00 0.00 N ATOM 835 CA THR A 56 11.048 -0.861 -7.759 1.00 0.00 C ATOM 836 C THR A 56 12.232 -1.437 -6.981 1.00 0.00 C ATOM 837 O THR A 56 12.598 -0.919 -5.926 1.00 0.00 O ATOM 838 CB THR A 56 11.463 -0.080 -9.007 1.00 0.00 C ATOM 839 OG1 THR A 56 12.170 -1.034 -9.794 1.00 0.00 O ATOM 840 CG2 THR A 56 12.504 0.999 -8.703 1.00 0.00 C ATOM 0 H THR A 56 10.248 0.999 -7.219 1.00 0.00 H new ATOM 0 HA THR A 56 10.459 -1.721 -8.077 1.00 0.00 H new ATOM 0 HB THR A 56 10.583 0.381 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.474 -0.612 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.764 1.523 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.094 1.708 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.397 0.535 -8.285 1.00 0.00 H new ATOM 848 N PHE A 57 12.799 -2.501 -7.531 1.00 0.00 N ATOM 849 CA PHE A 57 13.935 -3.153 -6.901 1.00 0.00 C ATOM 850 C PHE A 57 14.998 -2.131 -6.495 1.00 0.00 C ATOM 851 O PHE A 57 15.286 -1.966 -5.311 1.00 0.00 O ATOM 852 CB PHE A 57 14.532 -4.108 -7.937 1.00 0.00 C ATOM 853 CG PHE A 57 15.324 -5.268 -7.329 1.00 0.00 C ATOM 854 CD1 PHE A 57 16.548 -5.043 -6.782 1.00 0.00 C ATOM 855 CD2 PHE A 57 14.803 -6.525 -7.337 1.00 0.00 C ATOM 856 CE1 PHE A 57 17.283 -6.119 -6.218 1.00 0.00 C ATOM 857 CE2 PHE A 57 15.538 -7.601 -6.773 1.00 0.00 C ATOM 858 CZ PHE A 57 16.763 -7.375 -6.226 1.00 0.00 C ATOM 0 H PHE A 57 12.493 -2.928 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 57 13.612 -3.677 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.727 -4.513 -8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.186 -3.544 -8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.962 -4.045 -6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.831 -6.704 -7.772 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.255 -5.940 -5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.125 -8.599 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.322 -8.194 -5.798 1.00 0.00 H new ATOM 868 N SER A 58 15.553 -1.470 -7.501 1.00 0.00 N ATOM 869 CA SER A 58 16.578 -0.469 -7.264 1.00 0.00 C ATOM 870 C SER A 58 16.233 0.349 -6.017 1.00 0.00 C ATOM 871 O SER A 58 16.876 0.205 -4.979 1.00 0.00 O ATOM 872 CB SER A 58 16.739 0.453 -8.475 1.00 0.00 C ATOM 873 OG SER A 58 17.148 -0.261 -9.638 1.00 0.00 O ATOM 0 H SER A 58 15.311 -1.609 -8.482 1.00 0.00 H new ATOM 0 HA SER A 58 17.526 -0.983 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.794 0.959 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.473 1.226 -8.247 1.00 0.00 H new ATOM 0 HG SER A 58 17.238 0.362 -10.389 1.00 0.00 H new ATOM 879 N GLY A 59 15.218 1.188 -6.161 1.00 0.00 N ATOM 880 CA GLY A 59 14.780 2.028 -5.060 1.00 0.00 C ATOM 881 C GLY A 59 14.105 3.301 -5.576 1.00 0.00 C ATOM 882 O GLY A 59 14.665 4.391 -5.472 1.00 0.00 O ATOM 0 H GLY A 59 14.686 1.304 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.085 1.474 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.635 2.292 -4.437 1.00 0.00 H new ATOM 886 N GLU A 60 12.911 3.119 -6.121 1.00 0.00 N ATOM 887 CA GLU A 60 12.154 4.239 -6.654 1.00 0.00 C ATOM 888 C GLU A 60 10.652 3.972 -6.528 1.00 0.00 C ATOM 889 O GLU A 60 10.136 3.021 -7.112 1.00 0.00 O ATOM 890 CB GLU A 60 12.541 4.521 -8.107 1.00 0.00 C ATOM 891 CG GLU A 60 13.861 5.290 -8.183 1.00 0.00 C ATOM 892 CD GLU A 60 14.186 5.680 -9.627 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.799 4.902 -10.525 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.814 6.747 -9.798 1.00 0.00 O ATOM 0 H GLU A 60 12.449 2.213 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 60 12.396 5.127 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.631 3.581 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.752 5.096 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.800 6.186 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.667 4.678 -7.778 1.00 0.00 H new ATOM 901 N LYS A 61 9.993 4.829 -5.762 1.00 0.00 N ATOM 902 CA LYS A 61 8.562 4.698 -5.552 1.00 0.00 C ATOM 903 C LYS A 61 7.821 5.185 -6.799 1.00 0.00 C ATOM 904 O LYS A 61 8.350 5.988 -7.565 1.00 0.00 O ATOM 905 CB LYS A 61 8.140 5.414 -4.268 1.00 0.00 C ATOM 906 CG LYS A 61 8.042 6.925 -4.490 1.00 0.00 C ATOM 907 CD LYS A 61 8.356 7.690 -3.203 1.00 0.00 C ATOM 908 CE LYS A 61 9.858 7.950 -3.072 1.00 0.00 C ATOM 909 NZ LYS A 61 10.321 8.864 -4.141 1.00 0.00 N ATOM 0 H LYS A 61 10.424 5.617 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 61 8.293 3.651 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.177 5.029 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.860 5.205 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.736 7.227 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.040 7.181 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.818 8.638 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.006 7.120 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.074 8.384 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.403 7.008 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.160 9.385 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.565 8.312 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.564 9.538 -4.373 1.00 0.00 H new ATOM 923 N HIS A 62 6.608 4.677 -6.964 1.00 0.00 N ATOM 924 CA HIS A 62 5.790 5.050 -8.105 1.00 0.00 C ATOM 925 C HIS A 62 4.310 4.946 -7.731 1.00 0.00 C ATOM 926 O HIS A 62 3.928 4.103 -6.921 1.00 0.00 O ATOM 927 CB HIS A 62 6.152 4.210 -9.331 1.00 0.00 C ATOM 928 CG HIS A 62 6.190 4.993 -10.622 1.00 0.00 C ATOM 929 ND1 HIS A 62 6.992 6.107 -10.800 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.519 4.810 -11.795 1.00 0.00 C ATOM 931 CE1 HIS A 62 6.803 6.566 -12.028 1.00 0.00 C ATOM 932 NE2 HIS A 62 5.889 5.762 -12.643 1.00 0.00 N ATOM 0 H HIS A 62 6.173 4.010 -6.326 1.00 0.00 H new ATOM 0 HA HIS A 62 5.989 6.087 -8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.126 3.749 -9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.429 3.400 -9.430 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.807 4.024 -11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.288 7.426 -12.466 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.546 5.874 -13.597 1.00 0.00 H new ATOM 940 N GLU A 63 3.516 5.816 -8.339 1.00 0.00 N ATOM 941 CA GLU A 63 2.086 5.832 -8.080 1.00 0.00 C ATOM 942 C GLU A 63 1.323 5.272 -9.281 1.00 0.00 C ATOM 943 O GLU A 63 1.308 5.880 -10.350 1.00 0.00 O ATOM 944 CB GLU A 63 1.608 7.244 -7.735 1.00 0.00 C ATOM 945 CG GLU A 63 0.101 7.263 -7.474 1.00 0.00 C ATOM 946 CD GLU A 63 -0.624 8.131 -8.505 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.589 9.368 -8.330 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.196 7.538 -9.444 1.00 0.00 O ATOM 0 H GLU A 63 3.836 6.515 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 63 1.885 5.195 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.138 7.606 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.848 7.923 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.291 6.246 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.093 7.644 -6.472 1.00 0.00 H new ATOM 955 N LEU A 64 0.707 4.119 -9.065 1.00 0.00 N ATOM 956 CA LEU A 64 -0.057 3.470 -10.117 1.00 0.00 C ATOM 957 C LEU A 64 -1.519 3.913 -10.028 1.00 0.00 C ATOM 958 O LEU A 64 -1.824 4.941 -9.424 1.00 0.00 O ATOM 959 CB LEU A 64 0.130 1.953 -10.058 1.00 0.00 C ATOM 960 CG LEU A 64 1.329 1.457 -9.246 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.939 1.211 -7.787 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.950 0.216 -9.891 1.00 0.00 C ATOM 0 H LEU A 64 0.721 3.617 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 64 0.310 3.775 -11.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.775 1.511 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.226 1.579 -11.077 1.00 0.00 H new ATOM 0 HG LEU A 64 2.090 2.237 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.809 0.859 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.578 2.140 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.152 0.458 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.800 -0.117 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.207 -0.580 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.286 0.459 -10.899 1.00 0.00 H new ATOM 974 N GLN A 65 -2.384 3.117 -10.638 1.00 0.00 N ATOM 975 CA GLN A 65 -3.806 3.414 -10.634 1.00 0.00 C ATOM 976 C GLN A 65 -4.548 2.448 -9.709 1.00 0.00 C ATOM 977 O GLN A 65 -4.010 1.408 -9.330 1.00 0.00 O ATOM 978 CB GLN A 65 -4.380 3.365 -12.052 1.00 0.00 C ATOM 979 CG GLN A 65 -4.209 4.710 -12.760 1.00 0.00 C ATOM 980 CD GLN A 65 -5.558 5.260 -13.226 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.016 5.001 -14.327 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.166 6.032 -12.330 1.00 0.00 N ATOM 0 H GLN A 65 -2.127 2.266 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.945 4.427 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.880 2.583 -12.624 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.437 3.103 -12.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.735 5.423 -12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.545 4.592 -13.616 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.726 6.208 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.072 6.448 -12.546 1.00 0.00 H new ATOM 991 N PRO A 66 -5.805 2.835 -9.362 1.00 0.00 N ATOM 992 CA PRO A 66 -6.627 2.015 -8.488 1.00 0.00 C ATOM 993 C PRO A 66 -7.171 0.794 -9.232 1.00 0.00 C ATOM 994 O PRO A 66 -7.861 -0.038 -8.646 1.00 0.00 O ATOM 995 CB PRO A 66 -7.722 2.945 -7.991 1.00 0.00 C ATOM 996 CG PRO A 66 -7.746 4.115 -8.960 1.00 0.00 C ATOM 997 CD PRO A 66 -6.475 4.059 -9.791 1.00 0.00 C ATOM 0 HA PRO A 66 -6.066 1.599 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.686 2.437 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.516 3.283 -6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.625 4.060 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.806 5.059 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.700 4.034 -10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.849 4.935 -9.617 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.840 0.727 -10.514 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.287 -0.378 -11.345 1.00 0.00 C ATOM 1007 C ASN A 67 -6.079 -1.224 -11.754 1.00 0.00 C ATOM 1008 O ASN A 67 -6.187 -2.087 -12.624 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.962 0.130 -12.620 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.443 1.519 -12.999 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -7.792 2.524 -12.404 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.591 1.517 -14.021 1.00 0.00 N ATOM 0 H ASN A 67 -6.268 1.420 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.001 -0.966 -10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.776 -0.567 -13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.041 0.169 -12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.188 2.394 -14.350 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.341 0.638 -14.475 1.00 0.00 H new ATOM 1019 N ASP A 68 -4.957 -0.947 -11.107 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.730 -1.672 -11.392 1.00 0.00 C ATOM 1021 C ASP A 68 -3.667 -2.924 -10.515 1.00 0.00 C ATOM 1022 O ASP A 68 -3.559 -2.826 -9.294 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.500 -0.816 -11.084 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.171 -1.394 -11.573 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -0.958 -1.366 -12.805 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.397 -1.852 -10.705 1.00 0.00 O ATOM 0 H ASP A 68 -4.871 -0.230 -10.386 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.731 -1.934 -12.450 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.639 0.167 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.440 -0.668 -10.006 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.736 -4.072 -11.173 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.688 -5.342 -10.468 1.00 0.00 C ATOM 1033 C LEU A 69 -2.609 -5.279 -9.385 1.00 0.00 C ATOM 1034 O LEU A 69 -1.600 -4.594 -9.548 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.502 -6.496 -11.455 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.785 -7.141 -11.982 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.467 -8.303 -12.926 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -5.695 -7.572 -10.831 1.00 0.00 C ATOM 0 H LEU A 69 -3.825 -4.149 -12.186 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.635 -5.534 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.926 -6.131 -12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.903 -7.268 -10.972 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.329 -6.395 -12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.396 -8.744 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.887 -7.936 -13.773 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.890 -9.058 -12.392 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.600 -8.027 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.172 -8.295 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.962 -6.701 -10.233 1.00 0.00 H new ATOM 1050 N VAL A 70 -2.857 -6.003 -8.304 1.00 0.00 N ATOM 1051 CA VAL A 70 -1.920 -6.038 -7.194 1.00 0.00 C ATOM 1052 C VAL A 70 -1.260 -7.417 -7.133 1.00 0.00 C ATOM 1053 O VAL A 70 -0.221 -7.584 -6.496 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.632 -5.657 -5.895 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.249 -4.243 -5.453 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.149 -5.795 -6.040 1.00 0.00 C ATOM 0 H VAL A 70 -3.694 -6.571 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.127 -5.305 -7.340 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.306 -6.350 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.769 -3.998 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.173 -4.192 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.532 -3.530 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.631 -5.518 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.500 -5.138 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.399 -6.827 -6.285 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.890 -8.369 -7.804 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.377 -9.729 -7.834 1.00 0.00 C ATOM 1068 C ILE A 71 -1.121 -10.141 -9.285 1.00 0.00 C ATOM 1069 O ILE A 71 -1.816 -11.003 -9.821 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.318 -10.673 -7.083 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -2.504 -10.223 -5.633 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -1.832 -12.120 -7.177 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -3.986 -10.191 -5.254 1.00 0.00 C ATOM 0 H ILE A 71 -2.751 -8.226 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.422 -9.788 -7.313 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.297 -10.631 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.969 -10.900 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.069 -9.233 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.519 -12.770 -6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.794 -12.424 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.837 -12.199 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.090 -9.868 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.513 -9.495 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.412 -11.188 -5.367 1.00 0.00 H new ATOM 1191 N ARG A 80 7.224 -4.769 -3.773 1.00 0.00 N ATOM 1192 CA ARG A 80 6.693 -4.243 -2.527 1.00 0.00 C ATOM 1193 C ARG A 80 5.868 -2.982 -2.793 1.00 0.00 C ATOM 1194 O ARG A 80 6.377 -2.009 -3.347 1.00 0.00 O ATOM 1195 CB ARG A 80 7.818 -3.911 -1.546 1.00 0.00 C ATOM 1196 CG ARG A 80 9.095 -3.514 -2.289 1.00 0.00 C ATOM 1197 CD ARG A 80 10.011 -4.723 -2.490 1.00 0.00 C ATOM 1198 NE ARG A 80 11.382 -4.401 -2.033 1.00 0.00 N ATOM 1199 CZ ARG A 80 12.454 -5.168 -2.274 1.00 0.00 C ATOM 1200 NH1 ARG A 80 12.321 -6.306 -2.968 1.00 0.00 N ATOM 1201 NH2 ARG A 80 13.659 -4.796 -1.821 1.00 0.00 N ATOM 0 HA ARG A 80 6.057 -5.011 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.506 -3.097 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.017 -4.773 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.838 -3.083 -3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.622 -2.743 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.625 -5.578 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.027 -5.007 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 80 11.519 -3.541 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.404 -6.589 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.137 -6.890 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.760 -3.929 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.475 -5.380 -2.004 1.00 0.00 H new ATOM 1215 N ILE A 81 4.609 -3.040 -2.384 1.00 0.00 N ATOM 1216 CA ILE A 81 3.709 -1.915 -2.571 1.00 0.00 C ATOM 1217 C ILE A 81 3.480 -1.222 -1.226 1.00 0.00 C ATOM 1218 O ILE A 81 3.675 -1.825 -0.172 1.00 0.00 O ATOM 1219 CB ILE A 81 2.419 -2.368 -3.257 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.670 -2.709 -4.727 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.314 -1.323 -3.092 1.00 0.00 C ATOM 1222 CD1 ILE A 81 1.355 -2.984 -5.459 1.00 0.00 C ATOM 0 H ILE A 81 4.191 -3.849 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 81 4.155 -1.178 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 81 2.075 -3.280 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.194 -1.885 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.318 -3.583 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.408 -1.670 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.111 -1.172 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.634 -0.381 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.562 -3.224 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.845 -3.824 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.719 -2.100 -5.409 1.00 0.00 H new ATOM 1234 N TYR A 82 3.070 0.035 -1.307 1.00 0.00 N ATOM 1235 CA TYR A 82 2.812 0.817 -0.109 1.00 0.00 C ATOM 1236 C TYR A 82 1.624 1.759 -0.315 1.00 0.00 C ATOM 1237 O TYR A 82 1.085 1.853 -1.416 1.00 0.00 O ATOM 1238 CB TYR A 82 4.073 1.649 0.131 1.00 0.00 C ATOM 1239 CG TYR A 82 5.365 0.829 0.153 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.903 0.359 -1.027 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.991 0.561 1.353 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.119 -0.413 -1.007 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.207 -0.211 1.373 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.711 -0.659 0.193 1.00 0.00 C ATOM 1245 OH TYR A 82 8.859 -1.388 0.212 1.00 0.00 O ATOM 0 H TYR A 82 2.910 0.532 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 82 2.576 0.165 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.149 2.407 -0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.973 2.176 1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.413 0.570 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.570 0.930 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.551 -0.788 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.707 -0.429 2.305 1.00 0.00 H new ATOM 0 HH TYR A 82 9.170 -1.484 1.136 1.00 0.00 H new ATOM 1255 N VAL A 83 1.252 2.434 0.763 1.00 0.00 N ATOM 1256 CA VAL A 83 0.138 3.366 0.715 1.00 0.00 C ATOM 1257 C VAL A 83 0.572 4.704 1.318 1.00 0.00 C ATOM 1258 O VAL A 83 1.051 4.753 2.450 1.00 0.00 O ATOM 1259 CB VAL A 83 -1.080 2.762 1.416 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.666 2.003 2.679 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.118 3.839 1.739 1.00 0.00 C ATOM 0 H VAL A 83 1.702 2.354 1.675 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.158 3.555 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.540 2.049 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.551 1.584 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.018 1.198 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.170 2.687 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.973 3.382 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.674 4.588 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.447 4.315 0.816 1.00 0.00 H new ATOM 1271 N TYR A 84 0.389 5.756 0.534 1.00 0.00 N ATOM 1272 CA TYR A 84 0.756 7.091 0.976 1.00 0.00 C ATOM 1273 C TYR A 84 -0.485 7.967 1.162 1.00 0.00 C ATOM 1274 O TYR A 84 -1.596 7.552 0.836 1.00 0.00 O ATOM 1275 CB TYR A 84 1.620 7.682 -0.140 1.00 0.00 C ATOM 1276 CG TYR A 84 3.054 7.149 -0.164 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.286 5.789 -0.142 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.116 8.029 -0.207 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.635 5.287 -0.164 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.466 7.528 -0.230 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.659 6.182 -0.207 1.00 0.00 C ATOM 1282 OH TYR A 84 6.934 5.708 -0.229 1.00 0.00 O ATOM 0 H TYR A 84 -0.008 5.711 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 84 1.279 7.049 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.149 7.472 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.648 8.766 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.455 5.100 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.935 9.094 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.830 4.225 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.306 8.206 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 84 7.562 6.460 -0.260 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.253 9.162 1.684 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.338 10.101 1.916 1.00 0.00 C ATOM 1294 C ARG A 85 -1.284 11.239 0.895 1.00 0.00 C ATOM 1295 O ARG A 85 -0.206 11.736 0.571 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.266 10.687 3.328 1.00 0.00 C ATOM 1297 CG ARG A 85 -1.050 9.586 4.368 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.414 10.151 5.640 1.00 0.00 C ATOM 1299 NE ARG A 85 -1.031 11.453 5.979 1.00 0.00 N ATOM 1300 CZ ARG A 85 -0.434 12.398 6.718 1.00 0.00 C ATOM 1301 NH1 ARG A 85 0.799 12.191 7.201 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -1.069 13.549 6.975 1.00 0.00 N ATOM 0 H ARG A 85 0.670 9.502 1.953 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.276 9.557 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.452 11.410 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.187 11.226 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.004 9.118 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.410 8.808 3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.547 9.451 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.659 10.274 5.496 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.970 11.643 5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.283 11.314 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.254 12.910 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.008 13.707 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.614 14.268 7.538 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.460 11.618 0.417 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.560 12.688 -0.561 1.00 0.00 C ATOM 1318 C LYS A 86 -2.906 13.996 0.154 1.00 0.00 C ATOM 1319 O LYS A 86 -3.970 14.114 0.759 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.548 12.312 -1.667 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.952 11.255 -2.599 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.791 11.107 -3.869 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.199 10.045 -4.797 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.261 9.426 -5.621 1.00 0.00 N ATOM 0 H LYS A 86 -3.351 11.203 0.689 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.602 12.840 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.469 11.933 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.812 13.200 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.932 11.532 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.898 10.297 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.813 10.835 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.841 12.063 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.446 10.497 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.695 9.279 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.842 8.707 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.965 8.977 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.724 10.158 -6.197 1.00 0.00 H new ATOM 1424 N ASN A 93 4.649 11.294 -0.132 1.00 0.00 N ATOM 1425 CA ASN A 93 5.324 11.167 1.148 1.00 0.00 C ATOM 1426 C ASN A 93 4.862 9.883 1.839 1.00 0.00 C ATOM 1427 O ASN A 93 3.666 9.600 1.896 1.00 0.00 O ATOM 1428 CB ASN A 93 4.990 12.344 2.066 1.00 0.00 C ATOM 1429 CG ASN A 93 4.964 13.659 1.284 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.988 14.245 0.971 1.00 0.00 O ATOM 1431 ND2 ASN A 93 3.741 14.088 0.987 1.00 0.00 N ATOM 0 HA ASN A 93 6.398 11.148 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.022 12.178 2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.728 12.407 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.618 14.957 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.926 13.549 1.280 1.00 0.00 H new ATOM 1438 N PRO A 94 5.859 9.119 2.359 1.00 0.00 N ATOM 1439 CA PRO A 94 5.567 7.871 3.044 1.00 0.00 C ATOM 1440 C PRO A 94 4.992 8.132 4.438 1.00 0.00 C ATOM 1441 O PRO A 94 4.851 9.282 4.849 1.00 0.00 O ATOM 1442 CB PRO A 94 6.889 7.121 3.077 1.00 0.00 C ATOM 1443 CG PRO A 94 7.966 8.164 2.829 1.00 0.00 C ATOM 1444 CD PRO A 94 7.287 9.421 2.310 1.00 0.00 C ATOM 0 HA PRO A 94 4.803 7.282 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.035 6.630 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.916 6.343 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.511 8.376 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.694 7.797 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.530 10.286 2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.608 9.654 1.295 1.00 0.00 H new ATOM 1452 N PHE A 95 4.677 7.045 5.126 1.00 0.00 N ATOM 1453 CA PHE A 95 4.121 7.141 6.465 1.00 0.00 C ATOM 1454 C PHE A 95 5.230 7.147 7.520 1.00 0.00 C ATOM 1455 O PHE A 95 6.409 7.250 7.186 1.00 0.00 O ATOM 1456 CB PHE A 95 3.241 5.908 6.674 1.00 0.00 C ATOM 1457 CG PHE A 95 1.754 6.153 6.410 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.303 6.289 5.134 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.882 6.235 7.451 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.077 6.516 4.888 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.498 6.462 7.205 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.948 6.598 5.929 1.00 0.00 C ATOM 0 H PHE A 95 4.796 6.092 4.781 1.00 0.00 H new ATOM 0 HA PHE A 95 3.554 8.067 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.589 5.110 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.364 5.555 7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.995 6.224 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.239 6.127 8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.435 6.623 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.190 6.527 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.998 6.771 5.742 1.00 0.00 H new