USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 558 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 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 16 HIS : no HD1:sc= -8.62! C(o=-8.6!,f=-10!) USER MOD Single : A 18 THR OG1 : rot 110:sc= -0.142 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 28 CYS SG : rot -134:sc= -6.93! USER MOD Single : A 35 CYS SG : rot 67:sc= -4.94 USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= -0.0173 (180deg=-1.76!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-6.7!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 88:sc= 1.2 USER MOD Single : A 59 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.17) USER MOD Single : A 62 MET CE :methyl -125:sc= -5.5! (180deg=-7.14!) USER MOD Single : A 67 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.31) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.819 K(o=-0.82,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= -0.932 K(o=-0.93,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.781 -2.188 -11.673 1.00 0.00 N ATOM 77 CA MET A 4 -2.871 -3.039 -10.916 1.00 0.00 C ATOM 78 C MET A 4 -3.401 -3.226 -9.499 1.00 0.00 C ATOM 79 O MET A 4 -4.582 -2.991 -9.240 1.00 0.00 O ATOM 80 CB MET A 4 -1.465 -2.431 -10.888 1.00 0.00 C ATOM 81 CG MET A 4 -0.826 -2.306 -12.262 1.00 0.00 C ATOM 82 SD MET A 4 -0.390 -3.906 -12.971 1.00 0.00 S ATOM 83 CE MET A 4 -0.500 -3.544 -14.721 1.00 0.00 C ATOM 0 HA MET A 4 -2.810 -4.013 -11.402 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.515 -1.444 -10.429 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.826 -3.045 -10.254 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.513 -1.790 -12.933 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.070 -1.689 -12.188 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.257 -4.439 -15.294 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.513 -3.222 -14.963 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.203 -2.750 -14.973 1.00 0.00 H new ATOM 93 N PHE A 5 -2.539 -3.652 -8.583 1.00 0.00 N ATOM 94 CA PHE A 5 -2.959 -3.865 -7.207 1.00 0.00 C ATOM 95 C PHE A 5 -1.880 -3.470 -6.218 1.00 0.00 C ATOM 96 O PHE A 5 -0.767 -3.099 -6.594 1.00 0.00 O ATOM 97 CB PHE A 5 -3.358 -5.325 -6.993 1.00 0.00 C ATOM 98 CG PHE A 5 -2.407 -6.305 -7.624 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.070 -6.326 -7.261 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.853 -7.201 -8.582 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.195 -7.225 -7.841 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.983 -8.102 -9.165 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.652 -8.113 -8.795 1.00 0.00 C ATOM 0 H PHE A 5 -1.556 -3.854 -8.767 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.823 -3.225 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.416 -5.525 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.356 -5.484 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.708 -5.632 -6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.892 -7.195 -8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.845 -7.233 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.343 -8.797 -9.909 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.030 -8.815 -9.251 1.00 0.00 H new ATOM 113 N LEU A 6 -2.244 -3.525 -4.948 1.00 0.00 N ATOM 114 CA LEU A 6 -1.352 -3.148 -3.870 1.00 0.00 C ATOM 115 C LEU A 6 -1.418 -4.167 -2.727 1.00 0.00 C ATOM 116 O LEU A 6 -2.506 -4.524 -2.277 1.00 0.00 O ATOM 117 CB LEU A 6 -1.770 -1.757 -3.397 1.00 0.00 C ATOM 118 CG LEU A 6 -1.214 -1.304 -2.057 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.004 0.203 -2.069 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.159 -1.708 -0.939 1.00 0.00 C ATOM 0 H LEU A 6 -3.166 -3.832 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.318 -3.132 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.468 -1.034 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.858 -1.727 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.252 -1.786 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.605 0.522 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.300 0.466 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.956 0.702 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.753 -1.379 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.132 -1.243 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.272 -2.792 -0.932 1.00 0.00 H new ATOM 132 N THR A 7 -0.256 -4.639 -2.268 1.00 0.00 N ATOM 133 CA THR A 7 -0.207 -5.622 -1.182 1.00 0.00 C ATOM 134 C THR A 7 0.161 -4.969 0.148 1.00 0.00 C ATOM 135 O THR A 7 1.292 -4.515 0.341 1.00 0.00 O ATOM 136 CB THR A 7 0.790 -6.740 -1.495 1.00 0.00 C ATOM 137 OG1 THR A 7 0.540 -7.293 -2.775 1.00 0.00 O ATOM 138 CG2 THR A 7 0.747 -7.872 -0.485 1.00 0.00 C ATOM 0 H THR A 7 0.657 -4.359 -2.628 1.00 0.00 H new ATOM 0 HA THR A 7 -1.206 -6.050 -1.096 1.00 0.00 H new ATOM 0 HB THR A 7 1.774 -6.274 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.189 -8.004 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.476 -8.634 -0.761 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.984 -7.485 0.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.250 -8.312 -0.473 1.00 0.00 H new ATOM 146 N VAL A 8 -0.804 -4.941 1.063 1.00 0.00 N ATOM 147 CA VAL A 8 -0.602 -4.355 2.384 1.00 0.00 C ATOM 148 C VAL A 8 -0.178 -5.416 3.388 1.00 0.00 C ATOM 149 O VAL A 8 -0.385 -6.604 3.168 1.00 0.00 O ATOM 150 CB VAL A 8 -1.880 -3.671 2.913 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.533 -2.649 3.982 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.671 -3.025 1.784 1.00 0.00 C ATOM 0 H VAL A 8 -1.739 -5.320 0.912 1.00 0.00 H new ATOM 0 HA VAL A 8 0.183 -3.607 2.273 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.511 -4.439 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.446 -2.176 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.029 -3.146 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.874 -1.890 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.565 -2.552 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.054 -2.273 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.961 -3.787 1.060 1.00 0.00 H new ATOM 162 N TYR A 9 0.422 -4.980 4.488 1.00 0.00 N ATOM 163 CA TYR A 9 0.880 -5.892 5.524 1.00 0.00 C ATOM 164 C TYR A 9 0.074 -5.723 6.803 1.00 0.00 C ATOM 165 O TYR A 9 -0.090 -4.607 7.313 1.00 0.00 O ATOM 166 CB TYR A 9 2.370 -5.696 5.794 1.00 0.00 C ATOM 167 CG TYR A 9 3.248 -6.560 4.919 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.264 -7.330 5.465 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.056 -6.607 3.544 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.069 -8.122 4.669 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.855 -7.396 2.739 1.00 0.00 C ATOM 172 CZ TYR A 9 4.861 -8.151 3.306 1.00 0.00 C ATOM 173 OH TYR A 9 5.660 -8.937 2.508 1.00 0.00 O ATOM 0 H TYR A 9 0.603 -3.996 4.685 1.00 0.00 H new ATOM 0 HA TYR A 9 0.726 -6.910 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.627 -4.649 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.576 -5.920 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.429 -7.310 6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.269 -6.017 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.856 -8.715 5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.693 -7.422 1.672 1.00 0.00 H new ATOM 0 HH TYR A 9 5.381 -8.844 1.573 1.00 0.00 H new ATOM 183 N LEU A 10 -0.428 -6.849 7.303 1.00 0.00 N ATOM 184 CA LEU A 10 -1.234 -6.876 8.517 1.00 0.00 C ATOM 185 C LEU A 10 -0.363 -7.044 9.758 1.00 0.00 C ATOM 186 O LEU A 10 0.506 -7.915 9.806 1.00 0.00 O ATOM 187 CB LEU A 10 -2.246 -8.025 8.447 1.00 0.00 C ATOM 188 CG LEU A 10 -3.566 -7.692 7.748 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.038 -8.868 6.907 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.624 -7.307 8.771 1.00 0.00 C ATOM 0 H LEU A 10 -0.287 -7.766 6.878 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.759 -5.924 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.782 -8.865 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.465 -8.357 9.462 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.401 -6.843 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.978 -8.612 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.287 -9.100 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.188 -9.737 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.557 -7.073 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.786 -8.138 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.288 -6.434 9.331 1.00 0.00 H new ATOM 241 N GLU A 14 5.815 -8.998 7.977 1.00 0.00 N ATOM 242 CA GLU A 14 6.753 -10.103 7.829 1.00 0.00 C ATOM 243 C GLU A 14 6.295 -11.046 6.722 1.00 0.00 C ATOM 244 O GLU A 14 6.960 -11.186 5.696 1.00 0.00 O ATOM 245 CB GLU A 14 6.891 -10.870 9.147 1.00 0.00 C ATOM 246 CG GLU A 14 8.301 -11.367 9.417 1.00 0.00 C ATOM 247 CD GLU A 14 9.145 -10.351 10.160 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.783 -10.730 11.165 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.169 -9.176 9.736 1.00 0.00 O ATOM 0 HA GLU A 14 7.726 -9.692 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.579 -10.224 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.211 -11.722 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.253 -12.288 9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.783 -11.612 8.471 1.00 0.00 H new ATOM 256 N GLN A 15 5.153 -11.691 6.939 1.00 0.00 N ATOM 257 CA GLN A 15 4.602 -12.623 5.961 1.00 0.00 C ATOM 258 C GLN A 15 3.091 -12.494 5.848 1.00 0.00 C ATOM 259 O GLN A 15 2.484 -13.137 4.991 1.00 0.00 O ATOM 260 CB GLN A 15 4.984 -14.060 6.321 1.00 0.00 C ATOM 261 CG GLN A 15 6.037 -14.658 5.402 1.00 0.00 C ATOM 262 CD GLN A 15 7.264 -15.138 6.152 1.00 0.00 C ATOM 263 OE1 GLN A 15 7.171 -15.984 7.041 1.00 0.00 O ATOM 264 NE2 GLN A 15 8.424 -14.598 5.796 1.00 0.00 N ATOM 0 H GLN A 15 4.591 -11.585 7.784 1.00 0.00 H new ATOM 0 HA GLN A 15 5.030 -12.371 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.353 -14.083 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.090 -14.683 6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.602 -15.493 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.335 -13.913 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.455 -13.900 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.284 -14.882 6.265 1.00 0.00 H new ATOM 273 N HIS A 16 2.469 -11.644 6.670 1.00 0.00 N ATOM 274 CA HIS A 16 1.033 -11.470 6.551 1.00 0.00 C ATOM 275 C HIS A 16 0.767 -10.193 5.784 1.00 0.00 C ATOM 276 O HIS A 16 1.188 -9.108 6.185 1.00 0.00 O ATOM 277 CB HIS A 16 0.386 -11.386 7.935 1.00 0.00 C ATOM 278 CG HIS A 16 -1.109 -11.412 7.911 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.882 -10.958 8.957 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.977 -11.833 6.960 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.158 -11.097 8.654 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.245 -11.625 7.447 1.00 0.00 N ATOM 0 H HIS A 16 2.922 -11.089 7.396 1.00 0.00 H new ATOM 0 HA HIS A 16 0.605 -12.324 6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.744 -12.217 8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.715 -10.469 8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.720 -12.253 5.999 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.991 -10.825 9.286 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.112 -11.843 6.956 1.00 0.00 H new ATOM 291 N PHE A 17 0.064 -10.336 4.680 1.00 0.00 N ATOM 292 CA PHE A 17 -0.272 -9.207 3.841 1.00 0.00 C ATOM 293 C PHE A 17 -1.649 -9.365 3.239 1.00 0.00 C ATOM 294 O PHE A 17 -2.158 -10.479 3.111 1.00 0.00 O ATOM 295 CB PHE A 17 0.754 -9.035 2.732 1.00 0.00 C ATOM 296 CG PHE A 17 1.089 -10.320 2.058 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.209 -11.047 2.443 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.279 -10.808 1.045 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.522 -12.237 1.827 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.588 -12.002 0.420 1.00 0.00 C ATOM 301 CZ PHE A 17 1.712 -12.718 0.809 1.00 0.00 C ATOM 0 H PHE A 17 -0.288 -11.232 4.341 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.267 -8.318 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.371 -8.331 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.663 -8.599 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.841 -10.674 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.597 -10.254 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.395 -12.794 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.045 -12.378 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.956 -13.649 0.319 1.00 0.00 H new ATOM 311 N THR A 18 -2.217 -8.261 2.811 1.00 0.00 N ATOM 312 CA THR A 18 -3.500 -8.298 2.152 1.00 0.00 C ATOM 313 C THR A 18 -3.453 -7.411 0.920 1.00 0.00 C ATOM 314 O THR A 18 -3.302 -6.193 1.022 1.00 0.00 O ATOM 315 CB THR A 18 -4.617 -7.857 3.099 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.889 -8.101 2.523 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.551 -6.389 3.457 1.00 0.00 C ATOM 0 H THR A 18 -1.812 -7.330 2.907 1.00 0.00 H new ATOM 0 HA THR A 18 -3.717 -9.323 1.850 1.00 0.00 H new ATOM 0 HB THR A 18 -4.475 -8.444 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.331 -8.832 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.371 -6.142 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.601 -6.177 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.633 -5.789 2.550 1.00 0.00 H new ATOM 325 N GLU A 19 -3.557 -8.030 -0.246 1.00 0.00 N ATOM 326 CA GLU A 19 -3.499 -7.296 -1.498 1.00 0.00 C ATOM 327 C GLU A 19 -4.885 -7.083 -2.081 1.00 0.00 C ATOM 328 O GLU A 19 -5.800 -7.873 -1.850 1.00 0.00 O ATOM 329 CB GLU A 19 -2.609 -8.022 -2.506 1.00 0.00 C ATOM 330 CG GLU A 19 -2.738 -9.536 -2.468 1.00 0.00 C ATOM 331 CD GLU A 19 -4.171 -10.003 -2.637 1.00 0.00 C ATOM 332 OE1 GLU A 19 -4.617 -10.139 -3.796 1.00 0.00 O ATOM 333 OE2 GLU A 19 -4.846 -10.234 -1.612 1.00 0.00 O ATOM 0 H GLU A 19 -3.682 -9.037 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.068 -6.317 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.853 -7.672 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.570 -7.751 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.123 -9.969 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.348 -9.907 -1.520 1.00 0.00 H new ATOM 340 N VAL A 20 -5.033 -5.998 -2.830 1.00 0.00 N ATOM 341 CA VAL A 20 -6.317 -5.668 -3.440 1.00 0.00 C ATOM 342 C VAL A 20 -6.143 -4.937 -4.771 1.00 0.00 C ATOM 343 O VAL A 20 -5.247 -4.105 -4.920 1.00 0.00 O ATOM 344 CB VAL A 20 -7.178 -4.786 -2.506 1.00 0.00 C ATOM 345 CG1 VAL A 20 -8.616 -5.277 -2.480 1.00 0.00 C ATOM 346 CG2 VAL A 20 -6.597 -4.746 -1.100 1.00 0.00 C ATOM 0 H VAL A 20 -4.285 -5.334 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.822 -6.618 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.169 -3.770 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.205 -4.643 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.033 -5.236 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.643 -6.305 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.223 -4.119 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.563 -5.756 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.588 -4.335 -1.135 1.00 0.00 H new ATOM 356 N PRO A 21 -7.018 -5.227 -5.753 1.00 0.00 N ATOM 357 CA PRO A 21 -6.977 -4.581 -7.065 1.00 0.00 C ATOM 358 C PRO A 21 -7.624 -3.203 -7.013 1.00 0.00 C ATOM 359 O PRO A 21 -8.845 -3.085 -6.924 1.00 0.00 O ATOM 360 CB PRO A 21 -7.793 -5.528 -7.939 1.00 0.00 C ATOM 361 CG PRO A 21 -8.794 -6.122 -7.009 1.00 0.00 C ATOM 362 CD PRO A 21 -8.131 -6.193 -5.655 1.00 0.00 C ATOM 0 HA PRO A 21 -5.964 -4.419 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.278 -4.995 -8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.163 -6.296 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.696 -5.511 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.096 -7.114 -7.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.823 -5.925 -4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.769 -7.198 -5.439 1.00 0.00 H new ATOM 370 N VAL A 22 -6.799 -2.165 -7.038 1.00 0.00 N ATOM 371 CA VAL A 22 -7.300 -0.797 -6.960 1.00 0.00 C ATOM 372 C VAL A 22 -6.936 0.025 -8.188 1.00 0.00 C ATOM 373 O VAL A 22 -5.799 0.000 -8.659 1.00 0.00 O ATOM 374 CB VAL A 22 -6.760 -0.069 -5.695 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.524 -0.774 -5.158 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.446 1.398 -5.982 1.00 0.00 C ATOM 0 H VAL A 22 -5.785 -2.242 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.385 -0.879 -6.905 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.544 -0.103 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.162 -0.250 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.777 -1.801 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.746 -0.777 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.071 1.874 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.690 1.462 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.352 1.907 -6.311 1.00 0.00 H new ATOM 386 N THR A 23 -7.902 0.804 -8.652 1.00 0.00 N ATOM 387 CA THR A 23 -7.688 1.702 -9.770 1.00 0.00 C ATOM 388 C THR A 23 -7.294 3.053 -9.195 1.00 0.00 C ATOM 389 O THR A 23 -7.399 3.253 -7.986 1.00 0.00 O ATOM 390 CB THR A 23 -8.953 1.826 -10.622 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.981 2.482 -9.899 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.497 0.492 -11.084 1.00 0.00 C ATOM 0 H THR A 23 -8.846 0.830 -8.267 1.00 0.00 H new ATOM 0 HA THR A 23 -6.903 1.317 -10.421 1.00 0.00 H new ATOM 0 HB THR A 23 -8.656 2.402 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.781 2.554 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.394 0.652 -11.683 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.745 -0.019 -11.686 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.745 -0.120 -10.217 1.00 0.00 H new ATOM 400 N PRO A 24 -6.828 4.002 -10.009 1.00 0.00 N ATOM 401 CA PRO A 24 -6.431 5.304 -9.494 1.00 0.00 C ATOM 402 C PRO A 24 -7.635 6.131 -9.056 1.00 0.00 C ATOM 403 O PRO A 24 -7.901 7.210 -9.587 1.00 0.00 O ATOM 404 CB PRO A 24 -5.685 5.965 -10.656 1.00 0.00 C ATOM 405 CG PRO A 24 -5.577 4.924 -11.731 1.00 0.00 C ATOM 406 CD PRO A 24 -6.645 3.901 -11.459 1.00 0.00 C ATOM 0 HA PRO A 24 -5.810 5.218 -8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.224 6.842 -11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.698 6.304 -10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.712 5.371 -12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.590 4.462 -11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.565 4.123 -11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.333 2.901 -11.759 1.00 0.00 H new ATOM 414 N GLU A 25 -8.352 5.606 -8.066 1.00 0.00 N ATOM 415 CA GLU A 25 -9.528 6.261 -7.514 1.00 0.00 C ATOM 416 C GLU A 25 -9.536 6.105 -5.997 1.00 0.00 C ATOM 417 O GLU A 25 -9.706 7.079 -5.263 1.00 0.00 O ATOM 418 CB GLU A 25 -10.805 5.666 -8.115 1.00 0.00 C ATOM 419 CG GLU A 25 -11.512 6.600 -9.083 1.00 0.00 C ATOM 420 CD GLU A 25 -12.924 6.937 -8.644 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.197 6.877 -7.428 1.00 0.00 O ATOM 422 OE2 GLU A 25 -13.755 7.263 -9.518 1.00 0.00 O ATOM 0 H GLU A 25 -8.131 4.713 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.493 7.321 -7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.556 4.740 -8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.490 5.406 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.936 7.521 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.543 6.138 -10.070 1.00 0.00 H new ATOM 429 N THR A 26 -9.326 4.874 -5.533 1.00 0.00 N ATOM 430 CA THR A 26 -9.284 4.595 -4.104 1.00 0.00 C ATOM 431 C THR A 26 -7.866 4.760 -3.581 1.00 0.00 C ATOM 432 O THR A 26 -6.899 4.486 -4.293 1.00 0.00 O ATOM 433 CB THR A 26 -9.780 3.189 -3.797 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.198 2.243 -4.677 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.282 3.054 -3.901 1.00 0.00 C ATOM 0 H THR A 26 -9.183 4.057 -6.127 1.00 0.00 H new ATOM 0 HA THR A 26 -9.944 5.307 -3.607 1.00 0.00 H new ATOM 0 HB THR A 26 -9.483 2.996 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.530 1.347 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.572 2.029 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.758 3.733 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.600 3.302 -4.913 1.00 0.00 H new ATOM 443 N ILE A 27 -7.742 5.200 -2.337 1.00 0.00 N ATOM 444 CA ILE A 27 -6.418 5.381 -1.744 1.00 0.00 C ATOM 445 C ILE A 27 -6.355 4.915 -0.292 1.00 0.00 C ATOM 446 O ILE A 27 -7.146 5.342 0.548 1.00 0.00 O ATOM 447 CB ILE A 27 -6.036 6.873 -1.780 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.939 7.693 -0.841 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.117 7.406 -3.201 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.416 7.359 -0.920 1.00 0.00 C ATOM 0 H ILE A 27 -8.524 5.435 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.726 4.776 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.008 6.972 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.602 7.543 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.808 8.751 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.844 8.461 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.431 6.848 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.134 7.291 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.969 7.988 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.776 7.537 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.566 6.311 -0.661 1.00 0.00 H new ATOM 462 N CYS A 28 -5.369 4.072 -0.004 1.00 0.00 N ATOM 463 CA CYS A 28 -5.122 3.551 1.342 1.00 0.00 C ATOM 464 C CYS A 28 -6.419 3.259 2.092 1.00 0.00 C ATOM 465 O CYS A 28 -6.437 3.190 3.323 1.00 0.00 O ATOM 466 CB CYS A 28 -4.234 4.491 2.146 1.00 0.00 C ATOM 467 SG CYS A 28 -3.344 3.677 3.494 1.00 0.00 S ATOM 0 H CYS A 28 -4.711 3.726 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.595 2.605 1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.512 4.957 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.848 5.291 2.559 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.451 4.389 4.577 1.00 0.00 H new ATOM 473 N ARG A 29 -7.489 3.046 1.346 1.00 0.00 N ATOM 474 CA ARG A 29 -8.778 2.724 1.933 1.00 0.00 C ATOM 475 C ARG A 29 -8.816 1.233 2.139 1.00 0.00 C ATOM 476 O ARG A 29 -9.195 0.736 3.196 1.00 0.00 O ATOM 477 CB ARG A 29 -9.922 3.173 1.019 1.00 0.00 C ATOM 478 CG ARG A 29 -10.640 4.418 1.511 1.00 0.00 C ATOM 479 CD ARG A 29 -11.169 5.250 0.354 1.00 0.00 C ATOM 480 NE ARG A 29 -12.545 4.900 0.011 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.608 5.312 0.699 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.457 6.085 1.767 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.825 4.947 0.319 1.00 0.00 N ATOM 0 H ARG A 29 -7.490 3.091 0.327 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.905 3.246 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.526 3.362 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.643 2.360 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.466 4.130 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.957 5.020 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.118 6.307 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.530 5.106 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.701 4.305 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.523 6.367 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.275 6.398 2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.946 4.351 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.640 5.262 0.846 1.00 0.00 H new ATOM 497 N ASP A 30 -8.359 0.535 1.116 1.00 0.00 N ATOM 498 CA ASP A 30 -8.268 -0.911 1.163 1.00 0.00 C ATOM 499 C ASP A 30 -7.089 -1.304 2.048 1.00 0.00 C ATOM 500 O ASP A 30 -7.107 -2.345 2.706 1.00 0.00 O ATOM 501 CB ASP A 30 -8.091 -1.484 -0.243 1.00 0.00 C ATOM 502 CG ASP A 30 -9.398 -1.969 -0.840 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.629 -1.721 -2.042 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.188 -2.598 -0.105 1.00 0.00 O ATOM 0 H ASP A 30 -8.044 0.949 0.239 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.190 -1.318 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.660 -0.721 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.382 -2.311 -0.208 1.00 0.00 H new ATOM 509 N VAL A 31 -6.067 -0.443 2.067 1.00 0.00 N ATOM 510 CA VAL A 31 -4.878 -0.674 2.875 1.00 0.00 C ATOM 511 C VAL A 31 -5.215 -0.597 4.361 1.00 0.00 C ATOM 512 O VAL A 31 -4.919 -1.519 5.125 1.00 0.00 O ATOM 513 CB VAL A 31 -3.783 0.372 2.545 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.554 0.207 3.429 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.389 0.296 1.079 1.00 0.00 C ATOM 0 H VAL A 31 -6.045 0.422 1.528 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.505 -1.671 2.642 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.208 1.355 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.812 0.960 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.838 0.330 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.131 -0.787 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.619 1.039 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.003 -0.699 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.262 0.493 0.457 1.00 0.00 H new ATOM 525 N VAL A 32 -5.850 0.501 4.766 1.00 0.00 N ATOM 526 CA VAL A 32 -6.229 0.683 6.161 1.00 0.00 C ATOM 527 C VAL A 32 -7.406 -0.211 6.542 1.00 0.00 C ATOM 528 O VAL A 32 -7.417 -0.814 7.613 1.00 0.00 O ATOM 529 CB VAL A 32 -6.581 2.154 6.463 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.084 2.304 7.892 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.372 3.044 6.222 1.00 0.00 C ATOM 0 H VAL A 32 -6.110 1.272 4.151 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.364 0.399 6.760 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.380 2.465 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.327 3.349 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.976 1.693 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.310 1.977 8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.634 4.080 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.555 2.732 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.059 2.959 5.181 1.00 0.00 H new ATOM 541 N ASP A 33 -8.401 -0.280 5.664 1.00 0.00 N ATOM 542 CA ASP A 33 -9.590 -1.087 5.915 1.00 0.00 C ATOM 543 C ASP A 33 -9.244 -2.555 6.143 1.00 0.00 C ATOM 544 O ASP A 33 -9.838 -3.209 7.002 1.00 0.00 O ATOM 545 CB ASP A 33 -10.574 -0.963 4.749 1.00 0.00 C ATOM 546 CG ASP A 33 -11.870 -1.709 5.002 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.994 -2.345 6.069 1.00 0.00 O ATOM 548 OD2 ASP A 33 -12.764 -1.657 4.130 1.00 0.00 O ATOM 0 H ASP A 33 -8.408 0.214 4.771 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.053 -0.706 6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.793 0.090 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.108 -1.348 3.842 1.00 0.00 H new ATOM 553 N LEU A 34 -8.302 -3.082 5.367 1.00 0.00 N ATOM 554 CA LEU A 34 -7.923 -4.485 5.499 1.00 0.00 C ATOM 555 C LEU A 34 -6.926 -4.705 6.635 1.00 0.00 C ATOM 556 O LEU A 34 -6.971 -5.735 7.308 1.00 0.00 O ATOM 557 CB LEU A 34 -7.335 -5.003 4.187 1.00 0.00 C ATOM 558 CG LEU A 34 -8.366 -5.352 3.112 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.744 -5.261 1.728 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.934 -6.742 3.352 1.00 0.00 C ATOM 0 H LEU A 34 -7.793 -2.567 4.649 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.829 -5.042 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.656 -4.250 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.738 -5.890 4.399 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.182 -4.632 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.492 -5.513 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.384 -4.246 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.910 -5.959 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.666 -6.975 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.128 -7.475 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.416 -6.774 4.329 1.00 0.00 H new ATOM 572 N CYS A 35 -6.023 -3.751 6.848 1.00 0.00 N ATOM 573 CA CYS A 35 -5.031 -3.880 7.904 1.00 0.00 C ATOM 574 C CYS A 35 -5.375 -3.012 9.106 1.00 0.00 C ATOM 575 O CYS A 35 -4.495 -2.489 9.788 1.00 0.00 O ATOM 576 CB CYS A 35 -3.650 -3.518 7.367 1.00 0.00 C ATOM 577 SG CYS A 35 -3.122 -4.520 5.960 1.00 0.00 S ATOM 0 H CYS A 35 -5.960 -2.889 6.307 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.028 -4.918 8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.650 -2.468 7.073 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.920 -3.624 8.170 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.878 -4.261 4.935 1.00 0.00 H new ATOM 583 N LYS A 36 -6.663 -2.881 9.362 1.00 0.00 N ATOM 584 CA LYS A 36 -7.148 -2.092 10.488 1.00 0.00 C ATOM 585 C LYS A 36 -7.320 -2.963 11.728 1.00 0.00 C ATOM 586 O LYS A 36 -6.900 -4.120 11.751 1.00 0.00 O ATOM 587 CB LYS A 36 -8.476 -1.415 10.138 1.00 0.00 C ATOM 588 CG LYS A 36 -8.427 0.101 10.233 1.00 0.00 C ATOM 589 CD LYS A 36 -9.808 0.688 10.476 1.00 0.00 C ATOM 590 CE LYS A 36 -10.702 0.528 9.259 1.00 0.00 C ATOM 591 NZ LYS A 36 -10.632 1.710 8.357 1.00 0.00 N ATOM 0 H LYS A 36 -7.400 -3.312 8.804 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.406 -1.324 10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.764 -1.699 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.252 -1.788 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.758 0.395 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.013 0.511 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.268 0.197 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.717 1.745 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.409 -0.366 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.732 0.379 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.586 2.104 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.014 2.432 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.247 1.421 7.435 1.00 0.00 H new ATOM 679 N CYS A 43 -4.196 6.505 11.328 1.00 0.00 N ATOM 680 CA CYS A 43 -3.193 5.528 10.921 1.00 0.00 C ATOM 681 C CYS A 43 -2.671 5.829 9.519 1.00 0.00 C ATOM 682 O CYS A 43 -3.407 6.317 8.662 1.00 0.00 O ATOM 683 CB CYS A 43 -3.779 4.115 10.967 1.00 0.00 C ATOM 684 SG CYS A 43 -3.751 3.357 12.609 1.00 0.00 S ATOM 0 HA CYS A 43 -2.358 5.592 11.619 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.809 4.149 10.612 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.224 3.480 10.276 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.269 2.166 12.546 1.00 0.00 H new ATOM 690 N HIS A 44 -1.394 5.533 9.297 1.00 0.00 N ATOM 691 CA HIS A 44 -0.765 5.767 8.002 1.00 0.00 C ATOM 692 C HIS A 44 -0.219 4.463 7.424 1.00 0.00 C ATOM 693 O HIS A 44 0.033 3.503 8.158 1.00 0.00 O ATOM 694 CB HIS A 44 0.349 6.818 8.130 1.00 0.00 C ATOM 695 CG HIS A 44 1.732 6.244 8.234 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.414 5.726 7.152 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.559 6.110 9.298 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.601 5.298 7.546 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.713 5.521 8.843 1.00 0.00 N ATOM 0 H HIS A 44 -0.774 5.130 9.999 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.520 6.150 7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.308 7.481 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.155 7.430 9.011 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.058 5.680 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.350 6.410 10.314 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.351 4.844 6.915 1.00 0.00 H new ATOM 708 N LEU A 45 -0.031 4.435 6.108 1.00 0.00 N ATOM 709 CA LEU A 45 0.492 3.250 5.447 1.00 0.00 C ATOM 710 C LEU A 45 1.954 3.476 5.079 1.00 0.00 C ATOM 711 O LEU A 45 2.358 4.604 4.818 1.00 0.00 O ATOM 712 CB LEU A 45 -0.360 2.930 4.213 1.00 0.00 C ATOM 713 CG LEU A 45 0.273 1.984 3.192 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.372 0.582 3.763 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.525 1.983 1.893 1.00 0.00 C ATOM 0 H LEU A 45 -0.232 5.216 5.484 1.00 0.00 H new ATOM 0 HA LEU A 45 0.442 2.393 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.301 2.495 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.603 3.866 3.710 1.00 0.00 H new ATOM 0 HG LEU A 45 1.280 2.337 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.824 -0.080 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.988 0.598 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.625 0.220 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.058 1.304 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.545 1.655 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.543 2.990 1.476 1.00 0.00 H new ATOM 727 N ALA A 46 2.754 2.415 5.091 1.00 0.00 N ATOM 728 CA ALA A 46 4.179 2.536 4.784 1.00 0.00 C ATOM 729 C ALA A 46 4.552 1.851 3.474 1.00 0.00 C ATOM 730 O ALA A 46 3.895 0.895 3.050 1.00 0.00 O ATOM 731 CB ALA A 46 5.007 1.967 5.927 1.00 0.00 C ATOM 0 H ALA A 46 2.445 1.467 5.308 1.00 0.00 H new ATOM 0 HA ALA A 46 4.396 3.597 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.067 2.061 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.789 2.517 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.759 0.915 6.068 1.00 0.00 H new ATOM 737 N GLU A 47 5.620 2.347 2.842 1.00 0.00 N ATOM 738 CA GLU A 47 6.101 1.782 1.584 1.00 0.00 C ATOM 739 C GLU A 47 7.591 1.453 1.677 1.00 0.00 C ATOM 740 O GLU A 47 8.431 2.348 1.739 1.00 0.00 O ATOM 741 CB GLU A 47 5.874 2.774 0.444 1.00 0.00 C ATOM 742 CG GLU A 47 6.087 4.229 0.834 1.00 0.00 C ATOM 743 CD GLU A 47 5.465 5.193 -0.157 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.472 4.885 -1.368 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.972 6.255 0.277 1.00 0.00 O ATOM 0 H GLU A 47 6.166 3.138 3.183 1.00 0.00 H new ATOM 0 HA GLU A 47 5.546 0.865 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.547 2.527 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.857 2.655 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.660 4.403 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.156 4.429 0.909 1.00 0.00 H new ATOM 752 N VAL A 48 7.911 0.163 1.664 1.00 0.00 N ATOM 753 CA VAL A 48 9.299 -0.291 1.729 1.00 0.00 C ATOM 754 C VAL A 48 9.648 -1.197 0.558 1.00 0.00 C ATOM 755 O VAL A 48 8.985 -2.213 0.341 1.00 0.00 O ATOM 756 CB VAL A 48 9.618 -1.027 3.048 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.124 -1.149 3.237 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.978 -0.315 4.234 1.00 0.00 C ATOM 0 H VAL A 48 7.226 -0.591 1.609 1.00 0.00 H new ATOM 0 HA VAL A 48 9.908 0.612 1.681 1.00 0.00 H new ATOM 0 HB VAL A 48 9.197 -2.031 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.332 -1.670 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.551 -1.710 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.568 -0.154 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.216 -0.852 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.363 0.703 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.897 -0.286 4.101 1.00 0.00 H new ATOM 768 N TRP A 49 10.691 -0.856 -0.184 1.00 0.00 N ATOM 769 CA TRP A 49 11.103 -1.691 -1.301 1.00 0.00 C ATOM 770 C TRP A 49 12.620 -1.681 -1.485 1.00 0.00 C ATOM 771 O TRP A 49 13.241 -0.621 -1.546 1.00 0.00 O ATOM 772 CB TRP A 49 10.367 -1.276 -2.578 1.00 0.00 C ATOM 773 CG TRP A 49 11.233 -0.749 -3.667 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.801 -1.439 -4.695 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.606 0.599 -3.827 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.507 -0.577 -5.497 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.406 0.691 -4.975 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.328 1.733 -3.092 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.938 1.905 -5.406 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.851 2.941 -3.510 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.650 3.020 -4.661 1.00 0.00 C ATOM 0 H TRP A 49 11.259 -0.022 -0.037 1.00 0.00 H new ATOM 0 HA TRP A 49 10.826 -2.721 -1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.818 -2.138 -2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.630 -0.515 -2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.710 -2.503 -4.855 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.021 -0.834 -6.340 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.713 1.677 -2.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.553 1.965 -6.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.642 3.837 -2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 49 13.046 3.977 -4.966 1.00 0.00 H new ATOM 792 N CYS A 50 13.206 -2.872 -1.578 1.00 0.00 N ATOM 793 CA CYS A 50 14.648 -3.010 -1.763 1.00 0.00 C ATOM 794 C CYS A 50 15.419 -2.179 -0.739 1.00 0.00 C ATOM 795 O CYS A 50 16.452 -1.590 -1.055 1.00 0.00 O ATOM 796 CB CYS A 50 15.043 -2.589 -3.179 1.00 0.00 C ATOM 797 SG CYS A 50 16.352 -3.600 -3.911 1.00 0.00 S ATOM 0 H CYS A 50 12.703 -3.758 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 50 14.906 -4.059 -1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.162 -2.635 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.369 -1.549 -3.160 1.00 0.00 H new ATOM 0 HG CYS A 50 16.615 -3.168 -5.109 1.00 0.00 H new ATOM 803 N GLY A 51 14.909 -2.137 0.487 1.00 0.00 N ATOM 804 CA GLY A 51 15.563 -1.375 1.534 1.00 0.00 C ATOM 805 C GLY A 51 15.118 0.076 1.570 1.00 0.00 C ATOM 806 O GLY A 51 15.440 0.803 2.510 1.00 0.00 O ATOM 0 H GLY A 51 14.056 -2.616 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.355 -1.838 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.642 -1.416 1.387 1.00 0.00 H new ATOM 810 N SER A 52 14.375 0.499 0.551 1.00 0.00 N ATOM 811 CA SER A 52 13.890 1.872 0.482 1.00 0.00 C ATOM 812 C SER A 52 12.557 2.006 1.205 1.00 0.00 C ATOM 813 O SER A 52 11.502 1.732 0.636 1.00 0.00 O ATOM 814 CB SER A 52 13.733 2.312 -0.975 1.00 0.00 C ATOM 815 OG SER A 52 14.498 1.492 -1.841 1.00 0.00 O ATOM 0 H SER A 52 14.097 -0.088 -0.235 1.00 0.00 H new ATOM 0 HA SER A 52 14.623 2.515 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.682 2.267 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.047 3.350 -1.080 1.00 0.00 H new ATOM 0 HG SER A 52 13.966 0.714 -2.110 1.00 0.00 H new ATOM 821 N GLU A 53 12.612 2.429 2.462 1.00 0.00 N ATOM 822 CA GLU A 53 11.403 2.597 3.257 1.00 0.00 C ATOM 823 C GLU A 53 10.966 4.060 3.274 1.00 0.00 C ATOM 824 O GLU A 53 11.783 4.960 3.461 1.00 0.00 O ATOM 825 CB GLU A 53 11.634 2.104 4.687 1.00 0.00 C ATOM 826 CG GLU A 53 12.810 2.775 5.379 1.00 0.00 C ATOM 827 CD GLU A 53 12.635 2.849 6.883 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.042 3.869 7.480 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.092 1.887 7.466 1.00 0.00 O ATOM 0 H GLU A 53 13.477 2.661 2.951 1.00 0.00 H new ATOM 0 HA GLU A 53 10.611 2.003 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.731 2.278 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.800 1.027 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.723 2.226 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.935 3.782 4.981 1.00 0.00 H new ATOM 836 N ARG A 54 9.673 4.289 3.072 1.00 0.00 N ATOM 837 CA ARG A 54 9.123 5.639 3.060 1.00 0.00 C ATOM 838 C ARG A 54 7.698 5.651 3.611 1.00 0.00 C ATOM 839 O ARG A 54 6.988 4.648 3.536 1.00 0.00 O ATOM 840 CB ARG A 54 9.138 6.204 1.636 1.00 0.00 C ATOM 841 CG ARG A 54 10.221 7.246 1.405 1.00 0.00 C ATOM 842 CD ARG A 54 9.732 8.364 0.500 1.00 0.00 C ATOM 843 NE ARG A 54 10.807 8.912 -0.324 1.00 0.00 N ATOM 844 CZ ARG A 54 11.795 9.668 0.153 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.848 9.964 1.446 1.00 0.00 N ATOM 846 NH2 ARG A 54 12.732 10.127 -0.664 1.00 0.00 N ATOM 0 H ARG A 54 8.984 3.554 2.914 1.00 0.00 H new ATOM 0 HA ARG A 54 9.745 6.265 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.278 5.385 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.166 6.648 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.537 7.662 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.095 6.771 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.938 7.987 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.300 9.159 1.107 1.00 0.00 H new ATOM 0 HE ARG A 54 10.801 8.704 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.130 9.612 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.607 10.543 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.697 9.902 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.488 10.706 -0.299 1.00 0.00 H new ATOM 860 N PRO A 55 7.262 6.789 4.176 1.00 0.00 N ATOM 861 CA PRO A 55 5.919 6.927 4.739 1.00 0.00 C ATOM 862 C PRO A 55 4.872 7.242 3.676 1.00 0.00 C ATOM 863 O PRO A 55 5.021 8.195 2.909 1.00 0.00 O ATOM 864 CB PRO A 55 6.079 8.104 5.697 1.00 0.00 C ATOM 865 CG PRO A 55 7.115 8.964 5.058 1.00 0.00 C ATOM 866 CD PRO A 55 8.043 8.034 4.313 1.00 0.00 C ATOM 0 HA PRO A 55 5.569 6.009 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.140 8.642 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.394 7.771 6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.657 9.682 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.660 9.537 5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.320 8.441 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.968 7.867 4.864 1.00 0.00 H new ATOM 874 N VAL A 56 3.811 6.440 3.635 1.00 0.00 N ATOM 875 CA VAL A 56 2.740 6.640 2.666 1.00 0.00 C ATOM 876 C VAL A 56 1.478 7.175 3.341 1.00 0.00 C ATOM 877 O VAL A 56 1.012 6.638 4.357 1.00 0.00 O ATOM 878 CB VAL A 56 2.389 5.346 1.869 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.269 4.159 2.267 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.907 4.997 2.020 1.00 0.00 C ATOM 0 H VAL A 56 3.671 5.647 4.261 1.00 0.00 H new ATOM 0 HA VAL A 56 3.118 7.376 1.956 1.00 0.00 H new ATOM 0 HB VAL A 56 2.592 5.556 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.984 3.283 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.314 4.400 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.136 3.947 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.687 4.091 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.677 4.833 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.299 5.818 1.640 1.00 0.00 H new ATOM 890 N ALA A 57 0.922 8.224 2.746 1.00 0.00 N ATOM 891 CA ALA A 57 -0.291 8.842 3.251 1.00 0.00 C ATOM 892 C ALA A 57 -1.509 8.026 2.848 1.00 0.00 C ATOM 893 O ALA A 57 -1.556 7.459 1.754 1.00 0.00 O ATOM 894 CB ALA A 57 -0.409 10.255 2.715 1.00 0.00 C ATOM 0 H ALA A 57 1.298 8.665 1.907 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.242 8.876 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.321 10.714 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.453 10.839 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.445 10.229 1.626 1.00 0.00 H new ATOM 900 N ASP A 58 -2.490 7.952 3.736 1.00 0.00 N ATOM 901 CA ASP A 58 -3.687 7.181 3.457 1.00 0.00 C ATOM 902 C ASP A 58 -4.443 7.708 2.243 1.00 0.00 C ATOM 903 O ASP A 58 -5.349 7.047 1.741 1.00 0.00 O ATOM 904 CB ASP A 58 -4.625 7.148 4.662 1.00 0.00 C ATOM 905 CG ASP A 58 -3.900 6.838 5.956 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.772 5.643 6.294 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.460 7.792 6.633 1.00 0.00 O ATOM 0 H ASP A 58 -2.479 8.412 4.646 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.349 6.168 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.128 8.111 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.399 6.399 4.495 1.00 0.00 H new ATOM 912 N ASN A 59 -4.089 8.898 1.777 1.00 0.00 N ATOM 913 CA ASN A 59 -4.774 9.479 0.631 1.00 0.00 C ATOM 914 C ASN A 59 -4.010 9.246 -0.674 1.00 0.00 C ATOM 915 O ASN A 59 -4.245 9.939 -1.665 1.00 0.00 O ATOM 916 CB ASN A 59 -4.993 10.978 0.849 1.00 0.00 C ATOM 917 CG ASN A 59 -6.457 11.329 1.036 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.192 10.625 1.729 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.888 12.421 0.415 1.00 0.00 N ATOM 0 H ASN A 59 -3.343 9.473 2.168 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.739 8.979 0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.430 11.301 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.597 11.528 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.863 12.706 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.244 12.975 -0.149 1.00 0.00 H new ATOM 926 N GLU A 60 -3.098 8.276 -0.680 1.00 0.00 N ATOM 927 CA GLU A 60 -2.317 7.979 -1.878 1.00 0.00 C ATOM 928 C GLU A 60 -2.949 6.846 -2.692 1.00 0.00 C ATOM 929 O GLU A 60 -3.271 5.787 -2.152 1.00 0.00 O ATOM 930 CB GLU A 60 -0.886 7.610 -1.488 1.00 0.00 C ATOM 931 CG GLU A 60 -0.158 8.712 -0.734 1.00 0.00 C ATOM 932 CD GLU A 60 1.298 8.831 -1.138 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.623 8.489 -2.295 1.00 0.00 O ATOM 934 OE2 GLU A 60 2.114 9.266 -0.299 1.00 0.00 O ATOM 0 H GLU A 60 -2.883 7.687 0.124 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.304 8.872 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.906 6.711 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.324 7.365 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.660 9.663 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.219 8.516 0.337 1.00 0.00 H new ATOM 941 N ARG A 61 -3.118 7.077 -3.994 1.00 0.00 N ATOM 942 CA ARG A 61 -3.707 6.077 -4.888 1.00 0.00 C ATOM 943 C ARG A 61 -2.733 4.923 -5.105 1.00 0.00 C ATOM 944 O ARG A 61 -1.520 5.129 -5.132 1.00 0.00 O ATOM 945 CB ARG A 61 -4.073 6.714 -6.235 1.00 0.00 C ATOM 946 CG ARG A 61 -5.563 6.962 -6.417 1.00 0.00 C ATOM 947 CD ARG A 61 -5.915 8.425 -6.197 1.00 0.00 C ATOM 948 NE ARG A 61 -7.354 8.660 -6.274 1.00 0.00 N ATOM 949 CZ ARG A 61 -7.932 9.824 -5.986 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.197 10.861 -5.602 1.00 0.00 N ATOM 951 NH2 ARG A 61 -9.248 9.953 -6.083 1.00 0.00 N ATOM 0 H ARG A 61 -2.855 7.948 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.615 5.691 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.543 7.661 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.722 6.067 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.863 6.661 -7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.124 6.342 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.548 8.743 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.408 9.036 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.952 7.887 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.184 10.768 -5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.645 11.751 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.818 9.160 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.691 10.845 -5.862 1.00 0.00 H new ATOM 965 N MET A 62 -3.268 3.708 -5.274 1.00 0.00 N ATOM 966 CA MET A 62 -2.430 2.520 -5.491 1.00 0.00 C ATOM 967 C MET A 62 -1.179 2.888 -6.285 1.00 0.00 C ATOM 968 O MET A 62 -0.097 3.073 -5.719 1.00 0.00 O ATOM 969 CB MET A 62 -3.214 1.429 -6.215 1.00 0.00 C ATOM 970 CG MET A 62 -2.396 0.178 -6.493 1.00 0.00 C ATOM 971 SD MET A 62 -2.061 -0.061 -8.248 1.00 0.00 S ATOM 972 CE MET A 62 -0.309 -0.437 -8.209 1.00 0.00 C ATOM 0 H MET A 62 -4.271 3.521 -5.265 1.00 0.00 H new ATOM 0 HA MET A 62 -2.126 2.136 -4.517 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.084 1.159 -5.616 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.588 1.826 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.451 0.239 -5.952 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.928 -0.692 -6.107 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.225 0.250 -8.865 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.064 -0.329 -7.190 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.149 -1.461 -8.548 1.00 0.00 H new ATOM 982 N PHE A 63 -1.344 3.023 -7.591 1.00 0.00 N ATOM 983 CA PHE A 63 -0.235 3.393 -8.468 1.00 0.00 C ATOM 984 C PHE A 63 0.411 4.704 -8.023 1.00 0.00 C ATOM 985 O PHE A 63 1.620 4.885 -8.169 1.00 0.00 O ATOM 986 CB PHE A 63 -0.696 3.541 -9.926 1.00 0.00 C ATOM 987 CG PHE A 63 -1.815 2.622 -10.331 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.550 1.433 -10.989 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.132 2.956 -10.060 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.579 0.594 -11.368 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.162 2.120 -10.435 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.888 0.939 -11.088 1.00 0.00 C ATOM 0 H PHE A 63 -2.233 2.883 -8.071 1.00 0.00 H new ATOM 0 HA PHE A 63 0.496 2.587 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.014 4.571 -10.089 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.157 3.363 -10.581 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.529 1.159 -11.208 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.354 3.881 -9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.362 -0.330 -11.882 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.184 2.391 -10.217 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.695 0.283 -11.381 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.392 5.622 -7.477 1.00 0.00 N ATOM 1003 CA ASP A 64 0.130 6.912 -7.032 1.00 0.00 C ATOM 1004 C ASP A 64 1.311 6.715 -6.105 1.00 0.00 C ATOM 1005 O ASP A 64 2.302 7.442 -6.176 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.955 7.733 -6.333 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.576 8.768 -7.251 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.471 8.606 -8.485 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.169 9.739 -6.736 1.00 0.00 O ATOM 0 H ASP A 64 -1.394 5.496 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 64 0.461 7.461 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.733 7.064 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.526 8.232 -5.464 1.00 0.00 H new ATOM 1014 N VAL A 65 1.210 5.710 -5.250 1.00 0.00 N ATOM 1015 CA VAL A 65 2.285 5.404 -4.330 1.00 0.00 C ATOM 1016 C VAL A 65 3.373 4.632 -5.059 1.00 0.00 C ATOM 1017 O VAL A 65 4.551 4.730 -4.723 1.00 0.00 O ATOM 1018 CB VAL A 65 1.794 4.575 -3.125 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.816 4.620 -2.001 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.434 5.067 -2.639 1.00 0.00 C ATOM 0 H VAL A 65 0.398 5.097 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 65 2.676 6.348 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 65 1.678 3.540 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.456 4.031 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.762 4.209 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.964 5.653 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.112 4.465 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.512 6.111 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.295 4.977 -3.445 1.00 0.00 H new ATOM 1030 N LEU A 66 2.957 3.869 -6.067 1.00 0.00 N ATOM 1031 CA LEU A 66 3.872 3.063 -6.862 1.00 0.00 C ATOM 1032 C LEU A 66 4.666 3.916 -7.852 1.00 0.00 C ATOM 1033 O LEU A 66 5.603 3.431 -8.486 1.00 0.00 O ATOM 1034 CB LEU A 66 3.082 1.983 -7.605 1.00 0.00 C ATOM 1035 CG LEU A 66 3.501 0.546 -7.294 1.00 0.00 C ATOM 1036 CD1 LEU A 66 3.137 0.184 -5.862 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.856 -0.425 -8.274 1.00 0.00 C ATOM 0 H LEU A 66 1.981 3.794 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 66 4.591 2.597 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.025 2.097 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.185 2.152 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 66 4.583 0.472 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.442 -0.842 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.648 0.858 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.059 0.276 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.167 -1.442 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.771 -0.350 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.168 -0.179 -9.289 1.00 0.00 H new ATOM 1049 N GLN A 67 4.284 5.183 -7.989 1.00 0.00 N ATOM 1050 CA GLN A 67 4.963 6.087 -8.912 1.00 0.00 C ATOM 1051 C GLN A 67 6.113 6.836 -8.235 1.00 0.00 C ATOM 1052 O GLN A 67 6.947 7.437 -8.911 1.00 0.00 O ATOM 1053 CB GLN A 67 3.966 7.090 -9.495 1.00 0.00 C ATOM 1054 CG GLN A 67 3.278 6.599 -10.759 1.00 0.00 C ATOM 1055 CD GLN A 67 3.853 7.223 -12.015 1.00 0.00 C ATOM 1056 OE1 GLN A 67 5.043 7.532 -12.080 1.00 0.00 O ATOM 1057 NE2 GLN A 67 3.008 7.412 -13.021 1.00 0.00 N ATOM 0 H GLN A 67 3.511 5.605 -7.475 1.00 0.00 H new ATOM 0 HA GLN A 67 5.385 5.480 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.209 7.316 -8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.487 8.022 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.371 5.515 -10.821 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.213 6.825 -10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.030 7.141 -12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.337 7.829 -13.892 1.00 0.00 H new ATOM 1066 N ARG A 68 6.152 6.810 -6.904 1.00 0.00 N ATOM 1067 CA ARG A 68 7.202 7.503 -6.166 1.00 0.00 C ATOM 1068 C ARG A 68 8.449 6.633 -6.012 1.00 0.00 C ATOM 1069 O ARG A 68 9.565 7.146 -5.943 1.00 0.00 O ATOM 1070 CB ARG A 68 6.684 7.936 -4.794 1.00 0.00 C ATOM 1071 CG ARG A 68 6.388 6.779 -3.854 1.00 0.00 C ATOM 1072 CD ARG A 68 6.863 7.073 -2.439 1.00 0.00 C ATOM 1073 NE ARG A 68 7.887 6.128 -1.996 1.00 0.00 N ATOM 1074 CZ ARG A 68 9.188 6.265 -2.249 1.00 0.00 C ATOM 1075 NH1 ARG A 68 9.632 7.302 -2.949 1.00 0.00 N ATOM 1076 NH2 ARG A 68 10.047 5.361 -1.802 1.00 0.00 N ATOM 0 H ARG A 68 5.474 6.320 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 68 7.484 8.387 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.421 8.590 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.776 8.524 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.316 6.581 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.875 5.876 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.262 8.087 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.014 7.034 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 68 7.587 5.314 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.976 8.001 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.629 7.400 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.712 4.561 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.043 5.465 -1.995 1.00 0.00 H new ATOM 1090 N PHE A 69 8.257 5.317 -5.960 1.00 0.00 N ATOM 1091 CA PHE A 69 9.377 4.390 -5.816 1.00 0.00 C ATOM 1092 C PHE A 69 10.367 4.555 -6.965 1.00 0.00 C ATOM 1093 O PHE A 69 11.574 4.661 -6.749 1.00 0.00 O ATOM 1094 CB PHE A 69 8.876 2.946 -5.772 1.00 0.00 C ATOM 1095 CG PHE A 69 7.929 2.656 -4.640 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.576 2.897 -4.777 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.393 2.126 -3.448 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.702 2.612 -3.745 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.527 1.842 -2.410 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.177 2.086 -2.565 1.00 0.00 C ATOM 0 H PHE A 69 7.342 4.870 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 69 9.884 4.620 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.379 2.717 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.734 2.278 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.197 3.312 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.449 1.932 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.646 2.802 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.903 1.432 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.493 1.864 -1.759 1.00 0.00 H new ATOM 1110 N GLY A 70 9.846 4.575 -8.188 1.00 0.00 N ATOM 1111 CA GLY A 70 10.695 4.727 -9.355 1.00 0.00 C ATOM 1112 C GLY A 70 10.309 3.782 -10.477 1.00 0.00 C ATOM 1113 O GLY A 70 9.133 3.660 -10.818 1.00 0.00 O ATOM 0 H GLY A 70 8.850 4.489 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.636 5.755 -9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.732 4.547 -9.072 1.00 0.00 H new ATOM 1117 N SER A 71 11.303 3.113 -11.053 1.00 0.00 N ATOM 1118 CA SER A 71 11.061 2.175 -12.142 1.00 0.00 C ATOM 1119 C SER A 71 10.484 0.865 -11.614 1.00 0.00 C ATOM 1120 O SER A 71 9.727 0.185 -12.307 1.00 0.00 O ATOM 1121 CB SER A 71 12.359 1.903 -12.906 1.00 0.00 C ATOM 1122 OG SER A 71 12.846 3.083 -13.520 1.00 0.00 O ATOM 0 H SER A 71 12.283 3.203 -10.784 1.00 0.00 H new ATOM 0 HA SER A 71 10.335 2.623 -12.820 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.111 1.508 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.185 1.140 -13.665 1.00 0.00 H new ATOM 0 HG SER A 71 13.677 2.883 -14.000 1.00 0.00 H new ATOM 1128 N GLN A 72 10.847 0.517 -10.384 1.00 0.00 N ATOM 1129 CA GLN A 72 10.365 -0.710 -9.762 1.00 0.00 C ATOM 1130 C GLN A 72 9.052 -0.466 -9.026 1.00 0.00 C ATOM 1131 O GLN A 72 9.046 -0.148 -7.837 1.00 0.00 O ATOM 1132 CB GLN A 72 11.413 -1.261 -8.794 1.00 0.00 C ATOM 1133 CG GLN A 72 12.819 -1.290 -9.371 1.00 0.00 C ATOM 1134 CD GLN A 72 13.570 0.005 -9.139 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.140 0.855 -8.359 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.700 0.163 -9.818 1.00 0.00 N ATOM 0 H GLN A 72 11.474 1.068 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 72 10.188 -1.443 -10.549 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.413 -0.654 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.129 -2.272 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.375 -2.114 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.765 -1.488 -10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.019 -0.568 -10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.249 1.015 -9.703 1.00 0.00 H new ATOM 1145 N ARG A 73 7.942 -0.611 -9.742 1.00 0.00 N ATOM 1146 CA ARG A 73 6.622 -0.402 -9.157 1.00 0.00 C ATOM 1147 C ARG A 73 6.120 -1.668 -8.468 1.00 0.00 C ATOM 1148 O ARG A 73 5.432 -1.600 -7.449 1.00 0.00 O ATOM 1149 CB ARG A 73 5.629 0.040 -10.234 1.00 0.00 C ATOM 1150 CG ARG A 73 5.365 -1.019 -11.292 1.00 0.00 C ATOM 1151 CD ARG A 73 4.622 -0.439 -12.486 1.00 0.00 C ATOM 1152 NE ARG A 73 5.243 0.792 -12.971 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.617 1.692 -13.725 1.00 0.00 C ATOM 1154 NH1 ARG A 73 3.353 1.503 -14.085 1.00 0.00 N ATOM 1155 NH2 ARG A 73 5.256 2.784 -14.121 1.00 0.00 N ATOM 0 H ARG A 73 7.930 -0.872 -10.728 1.00 0.00 H new ATOM 0 HA ARG A 73 6.706 0.384 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.686 0.309 -9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.009 0.939 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.311 -1.448 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.782 -1.831 -10.858 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.598 -1.174 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.588 -0.238 -12.207 1.00 0.00 H new ATOM 0 HE ARG A 73 6.214 0.972 -12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.857 0.664 -13.783 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.878 2.196 -14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.227 2.934 -13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.776 3.474 -14.699 1.00 0.00 H new ATOM 1169 N ASN A 74 6.467 -2.822 -9.029 1.00 0.00 N ATOM 1170 CA ASN A 74 6.050 -4.102 -8.464 1.00 0.00 C ATOM 1171 C ASN A 74 7.155 -4.700 -7.597 1.00 0.00 C ATOM 1172 O ASN A 74 7.359 -5.914 -7.580 1.00 0.00 O ATOM 1173 CB ASN A 74 5.676 -5.079 -9.581 1.00 0.00 C ATOM 1174 CG ASN A 74 4.246 -4.899 -10.051 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.804 -3.781 -10.319 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.514 -6.002 -10.154 1.00 0.00 N ATOM 0 H ASN A 74 7.035 -2.898 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 74 5.176 -3.927 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.353 -4.939 -10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.814 -6.101 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.545 -5.943 -10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.921 -6.908 -9.921 1.00 0.00 H new ATOM 1183 N GLU A 75 7.867 -3.836 -6.882 1.00 0.00 N ATOM 1184 CA GLU A 75 8.958 -4.268 -6.013 1.00 0.00 C ATOM 1185 C GLU A 75 8.793 -3.725 -4.593 1.00 0.00 C ATOM 1186 O GLU A 75 9.628 -3.982 -3.727 1.00 0.00 O ATOM 1187 CB GLU A 75 10.293 -3.779 -6.577 1.00 0.00 C ATOM 1188 CG GLU A 75 11.484 -4.612 -6.133 1.00 0.00 C ATOM 1189 CD GLU A 75 11.826 -5.712 -7.120 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.657 -5.466 -8.019 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.260 -6.819 -6.993 1.00 0.00 O ATOM 0 H GLU A 75 7.708 -2.828 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 75 8.938 -5.357 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.242 -3.785 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.450 -2.745 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.350 -3.962 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.271 -5.055 -5.160 1.00 0.00 H new ATOM 1198 N VAL A 76 7.728 -2.960 -4.370 1.00 0.00 N ATOM 1199 CA VAL A 76 7.471 -2.354 -3.063 1.00 0.00 C ATOM 1200 C VAL A 76 6.551 -3.208 -2.199 1.00 0.00 C ATOM 1201 O VAL A 76 5.865 -4.108 -2.685 1.00 0.00 O ATOM 1202 CB VAL A 76 6.855 -0.936 -3.207 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.608 -0.587 -4.668 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.571 -0.779 -2.385 1.00 0.00 C ATOM 0 H VAL A 76 7.026 -2.744 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 76 8.441 -2.282 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 76 7.585 -0.232 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.176 0.412 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.552 -0.612 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.919 -1.310 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.176 0.228 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.832 -1.506 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.791 -0.948 -1.331 1.00 0.00 H new ATOM 1214 N ARG A 77 6.520 -2.872 -0.918 1.00 0.00 N ATOM 1215 CA ARG A 77 5.666 -3.540 0.046 1.00 0.00 C ATOM 1216 C ARG A 77 4.853 -2.493 0.793 1.00 0.00 C ATOM 1217 O ARG A 77 5.363 -1.421 1.110 1.00 0.00 O ATOM 1218 CB ARG A 77 6.501 -4.366 1.025 1.00 0.00 C ATOM 1219 CG ARG A 77 7.078 -5.632 0.412 1.00 0.00 C ATOM 1220 CD ARG A 77 8.483 -5.911 0.924 1.00 0.00 C ATOM 1221 NE ARG A 77 8.844 -7.321 0.791 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.084 -7.917 -0.375 1.00 0.00 C ATOM 1223 NH1 ARG A 77 9.004 -7.232 -1.508 1.00 0.00 N ATOM 1224 NH2 ARG A 77 9.405 -9.204 -0.406 1.00 0.00 N ATOM 0 H ARG A 77 7.089 -2.126 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 77 4.994 -4.221 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.317 -3.750 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.882 -4.636 1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.431 -6.478 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.098 -5.535 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.198 -5.300 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.553 -5.616 1.971 1.00 0.00 H new ATOM 0 HE ARG A 77 8.916 -7.881 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.757 -6.242 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.189 -7.695 -2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.468 -9.735 0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.589 -9.662 -1.298 1.00 0.00 H new ATOM 1238 N PHE A 78 3.590 -2.790 1.063 1.00 0.00 N ATOM 1239 CA PHE A 78 2.735 -1.862 1.774 1.00 0.00 C ATOM 1240 C PHE A 78 2.423 -2.437 3.142 1.00 0.00 C ATOM 1241 O PHE A 78 2.221 -3.637 3.277 1.00 0.00 O ATOM 1242 CB PHE A 78 1.484 -1.580 0.955 1.00 0.00 C ATOM 1243 CG PHE A 78 1.808 -0.850 -0.316 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.072 -1.546 -1.484 1.00 0.00 C ATOM 1245 CD2 PHE A 78 1.867 0.533 -0.337 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.386 -0.877 -2.651 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.178 1.209 -1.502 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.437 0.503 -2.661 1.00 0.00 C ATOM 0 H PHE A 78 3.139 -3.666 0.799 1.00 0.00 H new ATOM 0 HA PHE A 78 3.237 -0.905 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.984 -2.519 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.786 -0.988 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.032 -2.625 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.668 1.090 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.591 -1.432 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.218 2.288 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.679 1.029 -3.573 1.00 0.00 H new ATOM 1258 N PHE A 79 2.470 -1.595 4.163 1.00 0.00 N ATOM 1259 CA PHE A 79 2.270 -2.060 5.536 1.00 0.00 C ATOM 1260 C PHE A 79 1.476 -1.058 6.366 1.00 0.00 C ATOM 1261 O PHE A 79 1.583 0.152 6.168 1.00 0.00 O ATOM 1262 CB PHE A 79 3.645 -2.323 6.166 1.00 0.00 C ATOM 1263 CG PHE A 79 4.754 -2.270 5.147 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.486 -3.399 4.817 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.033 -1.082 4.492 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.472 -3.340 3.853 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.015 -1.014 3.529 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.735 -2.151 3.207 1.00 0.00 C ATOM 0 H PHE A 79 2.643 -0.594 4.074 1.00 0.00 H new ATOM 0 HA PHE A 79 1.685 -2.979 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.834 -1.585 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.642 -3.301 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.283 -4.334 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.471 -0.194 4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.038 -4.226 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.222 -0.080 3.028 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.503 -2.107 2.449 1.00 0.00 H new ATOM 1278 N LEU A 80 0.674 -1.570 7.298 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.143 -0.708 8.148 1.00 0.00 C ATOM 1280 C LEU A 80 0.580 -0.366 9.447 1.00 0.00 C ATOM 1281 O LEU A 80 0.974 -1.253 10.204 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.478 -1.389 8.457 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.718 -0.516 8.253 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.718 0.656 9.220 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.795 -0.028 6.816 1.00 0.00 C ATOM 0 H LEU A 80 0.573 -2.568 7.482 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.327 0.221 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.570 -2.275 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.461 -1.732 9.491 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.600 -1.122 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.609 1.263 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.716 0.283 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.829 1.265 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.683 0.591 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.907 0.559 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.851 -0.884 6.144 1.00 0.00 H new ATOM 1297 N ARG A 81 0.749 0.931 9.697 1.00 0.00 N ATOM 1298 CA ARG A 81 1.423 1.397 10.904 1.00 0.00 C ATOM 1299 C ARG A 81 0.456 2.159 11.804 1.00 0.00 C ATOM 1300 O ARG A 81 -0.309 3.002 11.337 1.00 0.00 O ATOM 1301 CB ARG A 81 2.610 2.289 10.538 1.00 0.00 C ATOM 1302 CG ARG A 81 3.789 1.525 9.961 1.00 0.00 C ATOM 1303 CD ARG A 81 4.720 1.030 11.056 1.00 0.00 C ATOM 1304 NE ARG A 81 4.417 -0.342 11.453 1.00 0.00 N ATOM 1305 CZ ARG A 81 4.764 -1.414 10.744 1.00 0.00 C ATOM 1306 NH1 ARG A 81 5.426 -1.276 9.602 1.00 0.00 N ATOM 1307 NH2 ARG A 81 4.449 -2.626 11.178 1.00 0.00 N ATOM 0 H ARG A 81 0.428 1.676 9.079 1.00 0.00 H new ATOM 0 HA ARG A 81 1.788 0.526 11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.283 3.036 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.937 2.828 11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.426 0.677 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.341 2.168 9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.751 1.087 10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.639 1.685 11.924 1.00 0.00 H new ATOM 0 HE ARG A 81 3.909 -0.488 12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.671 -0.345 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.690 -2.101 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.941 -2.737 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.715 -3.447 10.635 1.00 0.00 H new