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 -121:sc= -0.144 (180deg=-1.1) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 HIS : no HD1:sc= -5.25! C(o=-5.3!,f=-5.1!) USER MOD Single : A 18 THR OG1 : rot 140:sc= -0.168 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00131 USER MOD Single : A 28 CYS SG : rot -137:sc= -6.53! USER MOD Single : A 35 CYS SG : rot -5:sc= -8.08! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.163 F(o=-2,f=-0.16) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 170:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.54) USER MOD Single : A 62 MET CE :methyl 164:sc= -14.3! (180deg=-15!) USER MOD Single : A 67 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0565 K(o=-0.056,f=-4.2!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.780 -2.045 -11.434 1.00 0.00 N ATOM 77 CA MET A 4 -2.807 -2.781 -10.636 1.00 0.00 C ATOM 78 C MET A 4 -3.300 -2.935 -9.203 1.00 0.00 C ATOM 79 O MET A 4 -4.457 -2.641 -8.901 1.00 0.00 O ATOM 80 CB MET A 4 -1.449 -2.073 -10.652 1.00 0.00 C ATOM 81 CG MET A 4 -1.078 -1.492 -12.006 1.00 0.00 C ATOM 82 SD MET A 4 0.486 -0.594 -11.971 1.00 0.00 S ATOM 83 CE MET A 4 1.654 -1.951 -11.997 1.00 0.00 C ATOM 0 HA MET A 4 -2.688 -3.772 -11.074 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.458 -1.272 -9.913 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.677 -2.780 -10.346 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.014 -2.298 -12.738 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.870 -0.821 -12.339 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.286 -1.904 -11.110 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.113 -2.897 -12.008 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.276 -1.879 -12.889 1.00 0.00 H new ATOM 93 N PHE A 5 -2.422 -3.401 -8.323 1.00 0.00 N ATOM 94 CA PHE A 5 -2.784 -3.597 -6.924 1.00 0.00 C ATOM 95 C PHE A 5 -1.562 -3.538 -6.018 1.00 0.00 C ATOM 96 O PHE A 5 -0.431 -3.724 -6.466 1.00 0.00 O ATOM 97 CB PHE A 5 -3.486 -4.945 -6.751 1.00 0.00 C ATOM 98 CG PHE A 5 -2.613 -6.121 -7.086 1.00 0.00 C ATOM 99 CD1 PHE A 5 -2.109 -6.933 -6.084 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.297 -6.411 -8.403 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.305 -8.016 -6.388 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.493 -7.492 -8.714 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.997 -8.295 -7.706 1.00 0.00 C ATOM 0 H PHE A 5 -1.459 -3.649 -8.551 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.459 -2.790 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.828 -5.038 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.373 -4.968 -7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.347 -6.718 -5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.683 -5.786 -9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.919 -8.642 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.253 -7.708 -9.745 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.369 -9.140 -7.947 1.00 0.00 H new ATOM 113 N LEU A 6 -1.805 -3.283 -4.738 1.00 0.00 N ATOM 114 CA LEU A 6 -0.730 -3.205 -3.758 1.00 0.00 C ATOM 115 C LEU A 6 -0.940 -4.215 -2.633 1.00 0.00 C ATOM 116 O LEU A 6 -2.065 -4.434 -2.185 1.00 0.00 O ATOM 117 CB LEU A 6 -0.649 -1.796 -3.178 1.00 0.00 C ATOM 118 CG LEU A 6 -1.919 -1.316 -2.487 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.922 -1.744 -1.027 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.052 0.199 -2.611 1.00 0.00 C ATOM 0 H LEU A 6 -2.737 -3.127 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 6 0.206 -3.442 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.173 -1.759 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.404 -1.101 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.778 -1.774 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.836 -1.394 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.874 -2.831 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.058 -1.314 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.964 0.526 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.192 0.679 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.095 0.475 -3.664 1.00 0.00 H new ATOM 132 N THR A 7 0.151 -4.825 -2.181 1.00 0.00 N ATOM 133 CA THR A 7 0.085 -5.808 -1.104 1.00 0.00 C ATOM 134 C THR A 7 0.407 -5.166 0.239 1.00 0.00 C ATOM 135 O THR A 7 1.549 -4.784 0.499 1.00 0.00 O ATOM 136 CB THR A 7 1.043 -6.969 -1.363 1.00 0.00 C ATOM 137 OG1 THR A 7 0.814 -7.536 -2.641 1.00 0.00 O ATOM 138 CG2 THR A 7 0.913 -8.073 -0.336 1.00 0.00 C ATOM 0 H THR A 7 1.090 -4.657 -2.543 1.00 0.00 H new ATOM 0 HA THR A 7 -0.934 -6.194 -1.074 1.00 0.00 H new ATOM 0 HB THR A 7 2.045 -6.546 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.439 -8.276 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.617 -8.872 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.131 -7.675 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.103 -8.468 -0.353 1.00 0.00 H new ATOM 146 N VAL A 8 -0.610 -5.053 1.087 1.00 0.00 N ATOM 147 CA VAL A 8 -0.452 -4.452 2.408 1.00 0.00 C ATOM 148 C VAL A 8 -0.076 -5.503 3.444 1.00 0.00 C ATOM 149 O VAL A 8 -0.303 -6.689 3.242 1.00 0.00 O ATOM 150 CB VAL A 8 -1.743 -3.737 2.866 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.440 -2.746 3.979 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.427 -3.039 1.696 1.00 0.00 C ATOM 0 H VAL A 8 -1.557 -5.371 0.882 1.00 0.00 H new ATOM 0 HA VAL A 8 0.349 -3.717 2.325 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.427 -4.492 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.362 -2.253 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.009 -3.274 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.732 -2.000 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.333 -2.544 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.751 -2.298 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.687 -3.775 0.935 1.00 0.00 H new ATOM 162 N TYR A 9 0.516 -5.061 4.547 1.00 0.00 N ATOM 163 CA TYR A 9 0.937 -5.968 5.603 1.00 0.00 C ATOM 164 C TYR A 9 0.117 -5.772 6.868 1.00 0.00 C ATOM 165 O TYR A 9 -0.038 -4.648 7.365 1.00 0.00 O ATOM 166 CB TYR A 9 2.427 -5.794 5.895 1.00 0.00 C ATOM 167 CG TYR A 9 3.299 -6.699 5.054 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.284 -7.488 5.636 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.131 -6.768 3.677 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.078 -8.318 4.867 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.921 -7.597 2.902 1.00 0.00 C ATOM 172 CZ TYR A 9 4.892 -8.369 3.502 1.00 0.00 C ATOM 173 OH TYR A 9 5.680 -9.196 2.734 1.00 0.00 O ATOM 0 H TYR A 9 0.715 -4.078 4.732 1.00 0.00 H new ATOM 0 HA TYR A 9 0.765 -6.986 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.709 -4.756 5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.612 -5.997 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.431 -7.452 6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.371 -6.164 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.841 -8.924 5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.778 -7.639 1.832 1.00 0.00 H new ATOM 0 HH TYR A 9 5.420 -9.115 1.793 1.00 0.00 H new ATOM 183 N LEU A 10 -0.404 -6.887 7.374 1.00 0.00 N ATOM 184 CA LEU A 10 -1.223 -6.893 8.578 1.00 0.00 C ATOM 185 C LEU A 10 -0.360 -7.039 9.826 1.00 0.00 C ATOM 186 O LEU A 10 0.524 -7.893 9.887 1.00 0.00 O ATOM 187 CB LEU A 10 -2.237 -8.041 8.515 1.00 0.00 C ATOM 188 CG LEU A 10 -3.673 -7.621 8.207 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.530 -8.834 7.882 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.261 -6.848 9.378 1.00 0.00 C ATOM 0 H LEU A 10 -0.269 -7.809 6.960 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.752 -5.941 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.912 -8.751 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.226 -8.568 9.469 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.661 -6.970 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.549 -8.512 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.119 -9.347 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.537 -9.513 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.285 -6.555 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.258 -7.478 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.662 -5.956 9.563 1.00 0.00 H new ATOM 241 N GLU A 14 5.915 -10.070 8.899 1.00 0.00 N ATOM 242 CA GLU A 14 6.624 -10.000 7.626 1.00 0.00 C ATOM 243 C GLU A 14 6.087 -11.027 6.628 1.00 0.00 C ATOM 244 O GLU A 14 6.593 -11.136 5.511 1.00 0.00 O ATOM 245 CB GLU A 14 8.122 -10.223 7.844 1.00 0.00 C ATOM 246 CG GLU A 14 8.823 -9.045 8.503 1.00 0.00 C ATOM 247 CD GLU A 14 10.316 -9.263 8.651 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.858 -8.944 9.729 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.942 -9.753 7.688 1.00 0.00 O ATOM 0 HA GLU A 14 6.461 -9.006 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.263 -11.110 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.595 -10.425 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.648 -8.146 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.386 -8.871 9.486 1.00 0.00 H new ATOM 256 N GLN A 15 5.066 -11.780 7.030 1.00 0.00 N ATOM 257 CA GLN A 15 4.477 -12.792 6.158 1.00 0.00 C ATOM 258 C GLN A 15 2.970 -12.633 6.048 1.00 0.00 C ATOM 259 O GLN A 15 2.347 -13.273 5.200 1.00 0.00 O ATOM 260 CB GLN A 15 4.823 -14.197 6.659 1.00 0.00 C ATOM 261 CG GLN A 15 5.156 -15.175 5.545 1.00 0.00 C ATOM 262 CD GLN A 15 5.834 -16.431 6.055 1.00 0.00 C ATOM 263 OE1 GLN A 15 5.715 -16.782 7.229 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.551 -17.117 5.173 1.00 0.00 N ATOM 0 H GLN A 15 4.631 -11.709 7.950 1.00 0.00 H new ATOM 0 HA GLN A 15 4.900 -12.652 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.672 -14.132 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.982 -14.586 7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.240 -15.448 5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.805 -14.686 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.623 -16.790 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.030 -17.971 5.459 1.00 0.00 H new ATOM 273 N HIS A 16 2.373 -11.758 6.857 1.00 0.00 N ATOM 274 CA HIS A 16 0.942 -11.549 6.740 1.00 0.00 C ATOM 275 C HIS A 16 0.715 -10.278 5.953 1.00 0.00 C ATOM 276 O HIS A 16 1.173 -9.200 6.335 1.00 0.00 O ATOM 277 CB HIS A 16 0.307 -11.417 8.127 1.00 0.00 C ATOM 278 CG HIS A 16 -1.186 -11.482 8.125 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.949 -11.116 9.212 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.061 -11.861 7.164 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.227 -11.264 8.922 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.325 -11.716 7.683 1.00 0.00 N ATOM 0 H HIS A 16 2.842 -11.204 7.573 1.00 0.00 H new ATOM 0 HA HIS A 16 0.484 -12.399 6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.693 -12.209 8.768 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.618 -10.470 8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.812 -12.212 6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.053 -11.052 9.584 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.196 -11.923 7.193 1.00 0.00 H new ATOM 291 N PHE A 17 0.010 -10.415 4.849 1.00 0.00 N ATOM 292 CA PHE A 17 -0.285 -9.288 3.992 1.00 0.00 C ATOM 293 C PHE A 17 -1.662 -9.399 3.386 1.00 0.00 C ATOM 294 O PHE A 17 -2.217 -10.490 3.263 1.00 0.00 O ATOM 295 CB PHE A 17 0.754 -9.163 2.888 1.00 0.00 C ATOM 296 CG PHE A 17 1.037 -10.464 2.218 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.130 -11.226 2.609 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.210 -10.928 1.204 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.401 -12.430 2.001 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.479 -12.139 0.589 1.00 0.00 C ATOM 301 CZ PHE A 17 1.576 -12.890 0.988 1.00 0.00 C ATOM 0 H PHE A 17 -0.371 -11.303 4.523 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.255 -8.393 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.406 -8.444 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.678 -8.766 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.774 -10.870 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.644 -10.344 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.254 -13.014 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.164 -12.499 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.787 -13.834 0.508 1.00 0.00 H new ATOM 311 N THR A 18 -2.178 -8.276 2.943 1.00 0.00 N ATOM 312 CA THR A 18 -3.452 -8.251 2.275 1.00 0.00 C ATOM 313 C THR A 18 -3.329 -7.387 1.031 1.00 0.00 C ATOM 314 O THR A 18 -3.071 -6.186 1.120 1.00 0.00 O ATOM 315 CB THR A 18 -4.553 -7.729 3.200 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.823 -7.837 2.580 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.356 -6.284 3.599 1.00 0.00 C ATOM 0 H THR A 18 -1.730 -7.365 3.036 1.00 0.00 H new ATOM 0 HA THR A 18 -3.732 -9.265 1.991 1.00 0.00 H new ATOM 0 HB THR A 18 -4.500 -8.348 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.486 -8.129 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.169 -5.973 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.406 -6.178 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.350 -5.658 2.707 1.00 0.00 H new ATOM 325 N GLU A 19 -3.483 -8.008 -0.126 1.00 0.00 N ATOM 326 CA GLU A 19 -3.355 -7.295 -1.384 1.00 0.00 C ATOM 327 C GLU A 19 -4.707 -6.805 -1.866 1.00 0.00 C ATOM 328 O GLU A 19 -5.746 -7.369 -1.521 1.00 0.00 O ATOM 329 CB GLU A 19 -2.695 -8.186 -2.437 1.00 0.00 C ATOM 330 CG GLU A 19 -3.162 -9.632 -2.408 1.00 0.00 C ATOM 331 CD GLU A 19 -2.226 -10.533 -1.627 1.00 0.00 C ATOM 332 OE1 GLU A 19 -1.100 -10.780 -2.110 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.618 -10.991 -0.534 1.00 0.00 O ATOM 0 H GLU A 19 -3.696 -9.001 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.720 -6.424 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.894 -7.771 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.615 -8.161 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.158 -9.679 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.248 -10.002 -3.430 1.00 0.00 H new ATOM 340 N VAL A 20 -4.690 -5.721 -2.631 1.00 0.00 N ATOM 341 CA VAL A 20 -5.928 -5.127 -3.114 1.00 0.00 C ATOM 342 C VAL A 20 -5.746 -4.341 -4.413 1.00 0.00 C ATOM 343 O VAL A 20 -4.851 -3.498 -4.519 1.00 0.00 O ATOM 344 CB VAL A 20 -6.498 -4.168 -2.052 1.00 0.00 C ATOM 345 CG1 VAL A 20 -5.466 -3.101 -1.697 1.00 0.00 C ATOM 346 CG2 VAL A 20 -7.798 -3.532 -2.532 1.00 0.00 C ATOM 0 H VAL A 20 -3.841 -5.240 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.609 -5.955 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.723 -4.743 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.881 -2.429 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.570 -3.579 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.209 -2.532 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.179 -2.859 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.612 -2.969 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.534 -4.312 -2.729 1.00 0.00 H new ATOM 356 N PRO A 21 -6.624 -4.582 -5.410 1.00 0.00 N ATOM 357 CA PRO A 21 -6.593 -3.869 -6.680 1.00 0.00 C ATOM 358 C PRO A 21 -7.368 -2.561 -6.573 1.00 0.00 C ATOM 359 O PRO A 21 -8.485 -2.538 -6.055 1.00 0.00 O ATOM 360 CB PRO A 21 -7.291 -4.840 -7.626 1.00 0.00 C ATOM 361 CG PRO A 21 -8.292 -5.543 -6.771 1.00 0.00 C ATOM 362 CD PRO A 21 -7.742 -5.547 -5.361 1.00 0.00 C ATOM 0 HA PRO A 21 -5.589 -3.597 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.773 -4.314 -8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.583 -5.542 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.256 -5.035 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.455 -6.561 -7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.498 -5.245 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.400 -6.540 -5.069 1.00 0.00 H new ATOM 370 N VAL A 22 -6.769 -1.470 -7.028 1.00 0.00 N ATOM 371 CA VAL A 22 -7.416 -0.166 -6.934 1.00 0.00 C ATOM 372 C VAL A 22 -7.245 0.652 -8.208 1.00 0.00 C ATOM 373 O VAL A 22 -6.251 0.521 -8.924 1.00 0.00 O ATOM 374 CB VAL A 22 -6.856 0.647 -5.730 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.490 0.118 -5.316 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.759 2.133 -6.054 1.00 0.00 C ATOM 0 H VAL A 22 -5.846 -1.459 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.479 -0.358 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.554 0.525 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.115 0.699 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.578 -0.929 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.797 0.205 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.364 2.669 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.094 2.277 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.749 2.518 -6.298 1.00 0.00 H new ATOM 386 N THR A 23 -8.207 1.534 -8.444 1.00 0.00 N ATOM 387 CA THR A 23 -8.167 2.433 -9.583 1.00 0.00 C ATOM 388 C THR A 23 -7.772 3.812 -9.075 1.00 0.00 C ATOM 389 O THR A 23 -7.773 4.040 -7.867 1.00 0.00 O ATOM 390 CB THR A 23 -9.525 2.484 -10.285 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.557 2.060 -9.412 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.588 1.617 -11.524 1.00 0.00 C ATOM 0 H THR A 23 -9.031 1.644 -7.853 1.00 0.00 H new ATOM 0 HA THR A 23 -7.440 2.078 -10.314 1.00 0.00 H new ATOM 0 HB THR A 23 -9.660 3.525 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.418 2.101 -9.879 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.577 1.698 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.835 1.949 -12.239 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.397 0.579 -11.252 1.00 0.00 H new ATOM 400 N PRO A 24 -7.425 4.754 -9.958 1.00 0.00 N ATOM 401 CA PRO A 24 -7.026 6.091 -9.525 1.00 0.00 C ATOM 402 C PRO A 24 -8.200 6.888 -8.962 1.00 0.00 C ATOM 403 O PRO A 24 -8.584 7.926 -9.501 1.00 0.00 O ATOM 404 CB PRO A 24 -6.466 6.725 -10.787 1.00 0.00 C ATOM 405 CG PRO A 24 -7.130 6.004 -11.912 1.00 0.00 C ATOM 406 CD PRO A 24 -7.394 4.604 -11.422 1.00 0.00 C ATOM 0 HA PRO A 24 -6.302 6.065 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.682 7.793 -10.821 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.382 6.617 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.059 6.498 -12.195 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.493 5.992 -12.796 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.337 4.215 -11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.612 3.914 -11.739 1.00 0.00 H new ATOM 414 N GLU A 25 -8.755 6.381 -7.864 1.00 0.00 N ATOM 415 CA GLU A 25 -9.882 7.014 -7.192 1.00 0.00 C ATOM 416 C GLU A 25 -9.815 6.744 -5.692 1.00 0.00 C ATOM 417 O GLU A 25 -9.838 7.672 -4.884 1.00 0.00 O ATOM 418 CB GLU A 25 -11.205 6.498 -7.762 1.00 0.00 C ATOM 419 CG GLU A 25 -11.602 7.161 -9.071 1.00 0.00 C ATOM 420 CD GLU A 25 -11.386 6.258 -10.271 1.00 0.00 C ATOM 421 OE1 GLU A 25 -11.756 5.068 -10.192 1.00 0.00 O ATOM 422 OE2 GLU A 25 -10.849 6.742 -11.289 1.00 0.00 O ATOM 0 H GLU A 25 -8.435 5.521 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.829 8.089 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.129 5.422 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.995 6.659 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.652 7.451 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.024 8.076 -9.201 1.00 0.00 H new ATOM 429 N THR A 26 -9.713 5.466 -5.326 1.00 0.00 N ATOM 430 CA THR A 26 -9.621 5.084 -3.921 1.00 0.00 C ATOM 431 C THR A 26 -8.178 5.150 -3.451 1.00 0.00 C ATOM 432 O THR A 26 -7.255 4.903 -4.226 1.00 0.00 O ATOM 433 CB THR A 26 -10.170 3.683 -3.690 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.662 2.774 -4.649 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.679 3.624 -3.744 1.00 0.00 C ATOM 0 H THR A 26 -9.692 4.684 -5.980 1.00 0.00 H new ATOM 0 HA THR A 26 -10.223 5.788 -3.347 1.00 0.00 H new ATOM 0 HB THR A 26 -9.846 3.406 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.028 1.881 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.009 2.600 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.096 4.274 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.021 3.956 -4.724 1.00 0.00 H new ATOM 443 N ILE A 27 -7.981 5.488 -2.183 1.00 0.00 N ATOM 444 CA ILE A 27 -6.627 5.583 -1.646 1.00 0.00 C ATOM 445 C ILE A 27 -6.497 5.000 -0.238 1.00 0.00 C ATOM 446 O ILE A 27 -7.231 5.367 0.676 1.00 0.00 O ATOM 447 CB ILE A 27 -6.200 7.062 -1.594 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.411 7.958 -1.288 1.00 0.00 C ATOM 449 CG2 ILE A 27 -5.566 7.463 -2.910 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.209 7.525 -0.070 1.00 0.00 C ATOM 0 H ILE A 27 -8.725 5.698 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.987 5.001 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.468 7.190 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.064 8.980 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.070 7.969 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.267 8.510 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.689 6.843 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.285 7.325 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.046 8.208 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.588 6.515 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.567 7.542 0.811 1.00 0.00 H new ATOM 462 N CYS A 28 -5.517 4.120 -0.063 1.00 0.00 N ATOM 463 CA CYS A 28 -5.229 3.511 1.238 1.00 0.00 C ATOM 464 C CYS A 28 -6.506 3.184 2.016 1.00 0.00 C ATOM 465 O CYS A 28 -6.482 3.064 3.241 1.00 0.00 O ATOM 466 CB CYS A 28 -4.322 4.418 2.060 1.00 0.00 C ATOM 467 SG CYS A 28 -3.445 3.579 3.401 1.00 0.00 S ATOM 0 H CYS A 28 -4.900 3.807 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.714 2.569 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.591 4.879 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.921 5.224 2.483 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.472 4.321 4.468 1.00 0.00 H new ATOM 473 N ARG A 29 -7.609 3.015 1.299 1.00 0.00 N ATOM 474 CA ARG A 29 -8.879 2.682 1.924 1.00 0.00 C ATOM 475 C ARG A 29 -8.928 1.187 2.093 1.00 0.00 C ATOM 476 O ARG A 29 -9.323 0.664 3.133 1.00 0.00 O ATOM 477 CB ARG A 29 -10.052 3.166 1.067 1.00 0.00 C ATOM 478 CG ARG A 29 -11.207 3.728 1.879 1.00 0.00 C ATOM 479 CD ARG A 29 -10.882 5.109 2.424 1.00 0.00 C ATOM 480 NE ARG A 29 -11.630 5.405 3.644 1.00 0.00 N ATOM 481 CZ ARG A 29 -11.293 6.360 4.507 1.00 0.00 C ATOM 482 NH1 ARG A 29 -10.221 7.113 4.290 1.00 0.00 N ATOM 483 NH2 ARG A 29 -12.028 6.562 5.592 1.00 0.00 N ATOM 0 H ARG A 29 -7.648 3.103 0.284 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.962 3.176 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.696 3.932 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.415 2.336 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.100 3.782 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.435 3.054 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.813 5.176 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.110 5.860 1.668 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.459 4.847 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.651 6.961 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.968 7.844 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.851 5.985 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.770 7.294 6.254 1.00 0.00 H new ATOM 497 N ASP A 30 -8.463 0.513 1.058 1.00 0.00 N ATOM 498 CA ASP A 30 -8.381 -0.935 1.067 1.00 0.00 C ATOM 499 C ASP A 30 -7.166 -1.358 1.886 1.00 0.00 C ATOM 500 O ASP A 30 -7.138 -2.437 2.475 1.00 0.00 O ATOM 501 CB ASP A 30 -8.275 -1.479 -0.357 1.00 0.00 C ATOM 502 CG ASP A 30 -9.633 -1.748 -0.974 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.246 -2.781 -0.630 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.084 -0.928 -1.801 1.00 0.00 O ATOM 0 H ASP A 30 -8.135 0.948 0.196 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.287 -1.343 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.732 -0.765 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.693 -2.401 -0.349 1.00 0.00 H new ATOM 509 N VAL A 31 -6.166 -0.475 1.927 1.00 0.00 N ATOM 510 CA VAL A 31 -4.946 -0.720 2.680 1.00 0.00 C ATOM 511 C VAL A 31 -5.238 -0.706 4.180 1.00 0.00 C ATOM 512 O VAL A 31 -4.902 -1.650 4.897 1.00 0.00 O ATOM 513 CB VAL A 31 -3.885 0.353 2.341 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.625 0.200 3.188 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.542 0.305 0.861 1.00 0.00 C ATOM 0 H VAL A 31 -6.183 0.422 1.441 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.559 -1.701 2.405 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.316 1.326 2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.908 0.974 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.882 0.297 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.184 -0.781 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.794 1.065 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.146 -0.679 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.440 0.494 0.273 1.00 0.00 H new ATOM 525 N VAL A 32 -5.880 0.363 4.646 1.00 0.00 N ATOM 526 CA VAL A 32 -6.224 0.485 6.058 1.00 0.00 C ATOM 527 C VAL A 32 -7.375 -0.446 6.427 1.00 0.00 C ATOM 528 O VAL A 32 -7.330 -1.128 7.451 1.00 0.00 O ATOM 529 CB VAL A 32 -6.608 1.931 6.424 1.00 0.00 C ATOM 530 CG1 VAL A 32 -6.958 2.028 7.901 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.473 2.883 6.075 1.00 0.00 C ATOM 0 H VAL A 32 -6.171 1.152 4.069 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.336 0.202 6.623 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.486 2.217 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.227 3.056 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.800 1.371 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.098 1.727 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.758 3.901 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.578 2.601 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.269 2.829 5.006 1.00 0.00 H new ATOM 541 N ASP A 33 -8.406 -0.463 5.591 1.00 0.00 N ATOM 542 CA ASP A 33 -9.574 -1.303 5.833 1.00 0.00 C ATOM 543 C ASP A 33 -9.193 -2.777 5.928 1.00 0.00 C ATOM 544 O ASP A 33 -9.746 -3.515 6.743 1.00 0.00 O ATOM 545 CB ASP A 33 -10.608 -1.106 4.725 1.00 0.00 C ATOM 546 CG ASP A 33 -11.895 -1.862 4.993 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.919 -1.208 5.281 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.878 -3.108 4.915 1.00 0.00 O ATOM 0 H ASP A 33 -8.458 0.095 4.739 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.005 -1.002 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.829 -0.043 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.187 -1.437 3.776 1.00 0.00 H new ATOM 553 N LEU A 34 -8.257 -3.208 5.087 1.00 0.00 N ATOM 554 CA LEU A 34 -7.827 -4.601 5.087 1.00 0.00 C ATOM 555 C LEU A 34 -6.843 -4.881 6.220 1.00 0.00 C ATOM 556 O LEU A 34 -6.855 -5.965 6.803 1.00 0.00 O ATOM 557 CB LEU A 34 -7.198 -4.966 3.742 1.00 0.00 C ATOM 558 CG LEU A 34 -8.160 -4.954 2.552 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.390 -4.994 1.241 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.129 -6.124 2.641 1.00 0.00 C ATOM 0 H LEU A 34 -7.785 -2.617 4.402 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.710 -5.220 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.384 -4.271 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.756 -5.959 3.822 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.734 -4.028 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.091 -4.985 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.737 -4.124 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.789 -5.902 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.806 -6.101 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.571 -7.060 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.705 -6.050 3.563 1.00 0.00 H new ATOM 572 N CYS A 35 -5.995 -3.905 6.535 1.00 0.00 N ATOM 573 CA CYS A 35 -5.018 -4.068 7.602 1.00 0.00 C ATOM 574 C CYS A 35 -5.401 -3.251 8.827 1.00 0.00 C ATOM 575 O CYS A 35 -4.544 -2.714 9.528 1.00 0.00 O ATOM 576 CB CYS A 35 -3.627 -3.666 7.122 1.00 0.00 C ATOM 577 SG CYS A 35 -2.855 -4.855 6.001 1.00 0.00 S ATOM 0 H CYS A 35 -5.966 -2.999 6.068 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.005 -5.121 7.882 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.694 -2.701 6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.981 -3.530 7.990 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.611 -5.907 5.897 1.00 0.00 H new ATOM 583 N LYS A 36 -6.695 -3.173 9.077 1.00 0.00 N ATOM 584 CA LYS A 36 -7.214 -2.429 10.220 1.00 0.00 C ATOM 585 C LYS A 36 -7.362 -3.340 11.436 1.00 0.00 C ATOM 586 O LYS A 36 -7.504 -4.555 11.300 1.00 0.00 O ATOM 587 CB LYS A 36 -8.562 -1.794 9.870 1.00 0.00 C ATOM 588 CG LYS A 36 -8.570 -0.279 9.994 1.00 0.00 C ATOM 589 CD LYS A 36 -9.979 0.257 10.186 1.00 0.00 C ATOM 590 CE LYS A 36 -10.837 0.018 8.954 1.00 0.00 C ATOM 591 NZ LYS A 36 -12.197 0.607 9.102 1.00 0.00 N ATOM 0 H LYS A 36 -7.412 -3.617 8.503 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.504 -1.639 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.830 -2.068 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.330 -2.208 10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.947 0.021 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.130 0.163 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.438 -0.224 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.937 1.325 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.347 0.450 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.923 -1.054 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.751 0.423 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.674 0.177 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.117 1.633 9.249 1.00 0.00 H new ATOM 679 N CYS A 43 -4.196 6.605 11.450 1.00 0.00 N ATOM 680 CA CYS A 43 -3.109 5.715 11.061 1.00 0.00 C ATOM 681 C CYS A 43 -2.663 5.991 9.627 1.00 0.00 C ATOM 682 O CYS A 43 -3.418 6.546 8.829 1.00 0.00 O ATOM 683 CB CYS A 43 -3.542 4.254 11.202 1.00 0.00 C ATOM 684 SG CYS A 43 -4.880 3.768 10.090 1.00 0.00 S ATOM 0 HA CYS A 43 -2.265 5.902 11.725 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.681 3.612 11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.857 4.078 12.230 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.172 2.516 10.284 1.00 0.00 H new ATOM 690 N HIS A 44 -1.433 5.602 9.310 1.00 0.00 N ATOM 691 CA HIS A 44 -0.883 5.808 7.976 1.00 0.00 C ATOM 692 C HIS A 44 -0.297 4.510 7.423 1.00 0.00 C ATOM 693 O HIS A 44 0.041 3.594 8.179 1.00 0.00 O ATOM 694 CB HIS A 44 0.178 6.921 7.996 1.00 0.00 C ATOM 695 CG HIS A 44 1.595 6.430 8.035 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.492 6.229 7.039 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.240 6.083 9.204 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.648 5.771 7.620 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.471 5.692 8.926 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.797 5.141 9.961 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.693 6.119 7.317 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.048 7.546 7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.003 7.557 8.864 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.337 6.388 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.806 6.124 10.192 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.556 5.516 7.094 1.00 0.00 H new ATOM 708 N LEU A 45 -0.176 4.437 6.101 1.00 0.00 N ATOM 709 CA LEU A 45 0.373 3.259 5.455 1.00 0.00 C ATOM 710 C LEU A 45 1.837 3.503 5.106 1.00 0.00 C ATOM 711 O LEU A 45 2.229 4.633 4.845 1.00 0.00 O ATOM 712 CB LEU A 45 -0.452 2.919 4.209 1.00 0.00 C ATOM 713 CG LEU A 45 0.243 2.044 3.164 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.297 0.603 3.638 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.472 2.141 1.826 1.00 0.00 C ATOM 0 H LEU A 45 -0.452 5.181 5.460 1.00 0.00 H new ATOM 0 HA LEU A 45 0.323 2.407 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.364 2.415 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.753 3.851 3.731 1.00 0.00 H new ATOM 0 HG LEU A 45 1.263 2.404 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.794 -0.009 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.852 0.549 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.716 0.233 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.037 1.512 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.503 1.805 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.463 3.176 1.483 1.00 0.00 H new ATOM 727 N ALA A 46 2.644 2.449 5.131 1.00 0.00 N ATOM 728 CA ALA A 46 4.071 2.572 4.840 1.00 0.00 C ATOM 729 C ALA A 46 4.447 1.877 3.533 1.00 0.00 C ATOM 730 O ALA A 46 3.790 0.918 3.118 1.00 0.00 O ATOM 731 CB ALA A 46 4.888 2.002 5.990 1.00 0.00 C ATOM 0 H ALA A 46 2.338 1.501 5.349 1.00 0.00 H new ATOM 0 HA ALA A 46 4.295 3.632 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.950 2.098 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.660 2.550 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.640 0.949 6.126 1.00 0.00 H new ATOM 737 N GLU A 47 5.519 2.355 2.897 1.00 0.00 N ATOM 738 CA GLU A 47 5.994 1.755 1.654 1.00 0.00 C ATOM 739 C GLU A 47 7.512 1.554 1.699 1.00 0.00 C ATOM 740 O GLU A 47 8.282 2.514 1.691 1.00 0.00 O ATOM 741 CB GLU A 47 5.600 2.621 0.460 1.00 0.00 C ATOM 742 CG GLU A 47 6.434 3.883 0.292 1.00 0.00 C ATOM 743 CD GLU A 47 5.621 5.053 -0.222 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.330 5.971 0.574 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.274 5.054 -1.422 1.00 0.00 O ATOM 0 H GLU A 47 6.069 3.150 3.221 1.00 0.00 H new ATOM 0 HA GLU A 47 5.524 0.778 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.681 2.024 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.552 2.904 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.881 4.149 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.254 3.683 -0.398 1.00 0.00 H new ATOM 752 N VAL A 48 7.928 0.290 1.742 1.00 0.00 N ATOM 753 CA VAL A 48 9.346 -0.062 1.781 1.00 0.00 C ATOM 754 C VAL A 48 9.718 -0.997 0.642 1.00 0.00 C ATOM 755 O VAL A 48 9.056 -2.015 0.433 1.00 0.00 O ATOM 756 CB VAL A 48 9.752 -0.711 3.119 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.268 -0.740 3.255 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.115 0.027 4.291 1.00 0.00 C ATOM 0 H VAL A 48 7.298 -0.512 1.751 1.00 0.00 H new ATOM 0 HA VAL A 48 9.891 0.876 1.673 1.00 0.00 H new ATOM 0 HB VAL A 48 9.387 -1.738 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.539 -1.201 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.696 -1.318 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.656 0.278 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.414 -0.447 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.445 1.066 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.030 -0.009 4.197 1.00 0.00 H new ATOM 768 N TRP A 49 10.778 -0.675 -0.083 1.00 0.00 N ATOM 769 CA TRP A 49 11.208 -1.530 -1.175 1.00 0.00 C ATOM 770 C TRP A 49 12.729 -1.535 -1.326 1.00 0.00 C ATOM 771 O TRP A 49 13.347 -0.492 -1.531 1.00 0.00 O ATOM 772 CB TRP A 49 10.506 -1.111 -2.468 1.00 0.00 C ATOM 773 CG TRP A 49 11.403 -0.607 -3.538 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.121 -1.331 -4.440 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.657 0.750 -3.810 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.807 -0.485 -5.274 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.542 0.812 -4.897 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.207 1.918 -3.222 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.991 2.024 -5.412 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.647 3.127 -3.727 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.535 3.173 -4.814 1.00 0.00 C ATOM 0 H TRP A 49 11.348 0.159 0.062 1.00 0.00 H new ATOM 0 HA TRP A 49 10.921 -2.556 -0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.950 -1.965 -2.854 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.777 -0.336 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.147 -2.409 -4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.412 -0.769 -6.044 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.525 1.886 -2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.672 2.060 -6.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.304 4.048 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.866 4.131 -5.187 1.00 0.00 H new ATOM 792 N CYS A 50 13.324 -2.721 -1.227 1.00 0.00 N ATOM 793 CA CYS A 50 14.771 -2.873 -1.358 1.00 0.00 C ATOM 794 C CYS A 50 15.516 -1.857 -0.495 1.00 0.00 C ATOM 795 O CYS A 50 16.533 -1.302 -0.911 1.00 0.00 O ATOM 796 CB CYS A 50 15.190 -2.720 -2.821 1.00 0.00 C ATOM 797 SG CYS A 50 16.594 -3.753 -3.298 1.00 0.00 S ATOM 0 H CYS A 50 12.825 -3.594 -1.056 1.00 0.00 H new ATOM 0 HA CYS A 50 15.034 -3.872 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.340 -2.964 -3.459 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.440 -1.676 -3.009 1.00 0.00 H new ATOM 0 HG CYS A 50 16.872 -3.555 -4.552 1.00 0.00 H new ATOM 803 N GLY A 51 15.004 -1.619 0.707 1.00 0.00 N ATOM 804 CA GLY A 51 15.636 -0.672 1.607 1.00 0.00 C ATOM 805 C GLY A 51 15.045 0.722 1.507 1.00 0.00 C ATOM 806 O GLY A 51 15.263 1.555 2.386 1.00 0.00 O ATOM 0 H GLY A 51 14.163 -2.064 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.537 -1.031 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.703 -0.626 1.387 1.00 0.00 H new ATOM 810 N SER A 52 14.295 0.980 0.438 1.00 0.00 N ATOM 811 CA SER A 52 13.678 2.287 0.244 1.00 0.00 C ATOM 812 C SER A 52 12.342 2.360 0.970 1.00 0.00 C ATOM 813 O SER A 52 11.316 1.934 0.442 1.00 0.00 O ATOM 814 CB SER A 52 13.475 2.572 -1.247 1.00 0.00 C ATOM 815 OG SER A 52 14.401 3.538 -1.711 1.00 0.00 O ATOM 0 H SER A 52 14.101 0.305 -0.302 1.00 0.00 H new ATOM 0 HA SER A 52 14.347 3.041 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.591 1.650 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.458 2.926 -1.418 1.00 0.00 H new ATOM 0 HG SER A 52 14.361 3.586 -2.689 1.00 0.00 H new ATOM 821 N GLU A 53 12.362 2.905 2.181 1.00 0.00 N ATOM 822 CA GLU A 53 11.150 3.034 2.977 1.00 0.00 C ATOM 823 C GLU A 53 10.684 4.485 3.022 1.00 0.00 C ATOM 824 O GLU A 53 11.485 5.397 3.224 1.00 0.00 O ATOM 825 CB GLU A 53 11.391 2.521 4.398 1.00 0.00 C ATOM 826 CG GLU A 53 12.518 3.242 5.121 1.00 0.00 C ATOM 827 CD GLU A 53 12.486 3.020 6.620 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.484 1.847 7.047 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.463 4.021 7.368 1.00 0.00 O ATOM 0 H GLU A 53 13.204 3.264 2.632 1.00 0.00 H new ATOM 0 HA GLU A 53 10.371 2.433 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.473 2.629 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.619 1.456 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.475 2.899 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.452 4.310 4.914 1.00 0.00 H new ATOM 836 N ARG A 54 9.386 4.694 2.833 1.00 0.00 N ATOM 837 CA ARG A 54 8.822 6.038 2.853 1.00 0.00 C ATOM 838 C ARG A 54 7.400 6.028 3.414 1.00 0.00 C ATOM 839 O ARG A 54 6.625 5.114 3.139 1.00 0.00 O ATOM 840 CB ARG A 54 8.822 6.631 1.443 1.00 0.00 C ATOM 841 CG ARG A 54 9.172 8.111 1.404 1.00 0.00 C ATOM 842 CD ARG A 54 8.128 8.915 0.644 1.00 0.00 C ATOM 843 NE ARG A 54 8.737 9.921 -0.222 1.00 0.00 N ATOM 844 CZ ARG A 54 8.081 10.970 -0.714 1.00 0.00 C ATOM 845 NH1 ARG A 54 6.798 11.154 -0.425 1.00 0.00 N ATOM 846 NH2 ARG A 54 8.709 11.837 -1.496 1.00 0.00 N ATOM 0 H ARG A 54 8.706 3.952 2.665 1.00 0.00 H new ATOM 0 HA ARG A 54 9.442 6.656 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.534 6.082 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.838 6.487 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.255 8.492 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.146 8.242 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.518 8.241 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.460 9.403 1.353 1.00 0.00 H new ATOM 0 HE ARG A 54 9.722 9.814 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.310 10.490 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.300 11.959 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.695 11.700 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.207 12.641 -1.873 1.00 0.00 H new ATOM 860 N PRO A 55 7.033 7.047 4.210 1.00 0.00 N ATOM 861 CA PRO A 55 5.695 7.141 4.799 1.00 0.00 C ATOM 862 C PRO A 55 4.628 7.426 3.747 1.00 0.00 C ATOM 863 O PRO A 55 4.689 8.436 3.047 1.00 0.00 O ATOM 864 CB PRO A 55 5.800 8.319 5.782 1.00 0.00 C ATOM 865 CG PRO A 55 7.257 8.626 5.893 1.00 0.00 C ATOM 866 CD PRO A 55 7.878 8.184 4.601 1.00 0.00 C ATOM 0 HA PRO A 55 5.398 6.206 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.245 9.183 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.380 8.057 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.419 9.691 6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.702 8.101 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.863 8.976 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.919 7.889 4.732 1.00 0.00 H new ATOM 874 N VAL A 56 3.647 6.534 3.641 1.00 0.00 N ATOM 875 CA VAL A 56 2.568 6.705 2.674 1.00 0.00 C ATOM 876 C VAL A 56 1.281 7.165 3.361 1.00 0.00 C ATOM 877 O VAL A 56 0.829 6.573 4.351 1.00 0.00 O ATOM 878 CB VAL A 56 2.289 5.420 1.837 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.200 4.261 2.245 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.818 5.018 1.930 1.00 0.00 C ATOM 0 H VAL A 56 3.577 5.690 4.210 1.00 0.00 H new ATOM 0 HA VAL A 56 2.906 7.476 1.982 1.00 0.00 H new ATOM 0 HB VAL A 56 2.515 5.656 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.971 3.386 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.241 4.546 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.038 4.024 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.648 4.119 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.560 4.821 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.195 5.827 1.548 1.00 0.00 H new ATOM 890 N ALA A 57 0.693 8.220 2.812 1.00 0.00 N ATOM 891 CA ALA A 57 -0.540 8.782 3.340 1.00 0.00 C ATOM 892 C ALA A 57 -1.744 7.959 2.910 1.00 0.00 C ATOM 893 O ALA A 57 -1.736 7.327 1.852 1.00 0.00 O ATOM 894 CB ALA A 57 -0.692 10.213 2.865 1.00 0.00 C ATOM 0 H ALA A 57 1.056 8.707 1.993 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.490 8.763 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.617 10.632 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.154 10.804 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.723 10.233 1.776 1.00 0.00 H new ATOM 900 N ASP A 58 -2.783 7.965 3.736 1.00 0.00 N ATOM 901 CA ASP A 58 -3.984 7.206 3.431 1.00 0.00 C ATOM 902 C ASP A 58 -4.664 7.704 2.157 1.00 0.00 C ATOM 903 O ASP A 58 -5.552 7.041 1.623 1.00 0.00 O ATOM 904 CB ASP A 58 -4.977 7.254 4.591 1.00 0.00 C ATOM 905 CG ASP A 58 -4.318 6.998 5.932 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.694 5.928 6.092 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.425 7.868 6.822 1.00 0.00 O ATOM 0 H ASP A 58 -2.817 8.483 4.614 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.669 6.175 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.462 8.230 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.759 6.512 4.427 1.00 0.00 H new ATOM 912 N ASN A 59 -4.259 8.874 1.674 1.00 0.00 N ATOM 913 CA ASN A 59 -4.861 9.434 0.471 1.00 0.00 C ATOM 914 C ASN A 59 -3.930 9.323 -0.736 1.00 0.00 C ATOM 915 O ASN A 59 -4.078 10.066 -1.706 1.00 0.00 O ATOM 916 CB ASN A 59 -5.246 10.896 0.700 1.00 0.00 C ATOM 917 CG ASN A 59 -4.082 11.733 1.191 1.00 0.00 C ATOM 918 OD1 ASN A 59 -3.146 12.015 0.443 1.00 0.00 O ATOM 919 ND2 ASN A 59 -4.135 12.135 2.456 1.00 0.00 N ATOM 0 H ASN A 59 -3.525 9.446 2.092 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.758 8.853 0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.626 11.318 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.057 10.945 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.380 12.701 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.931 11.878 3.040 1.00 0.00 H new ATOM 926 N GLU A 60 -2.977 8.395 -0.683 1.00 0.00 N ATOM 927 CA GLU A 60 -2.046 8.206 -1.792 1.00 0.00 C ATOM 928 C GLU A 60 -2.633 7.258 -2.841 1.00 0.00 C ATOM 929 O GLU A 60 -2.919 6.097 -2.552 1.00 0.00 O ATOM 930 CB GLU A 60 -0.712 7.667 -1.276 1.00 0.00 C ATOM 931 CG GLU A 60 0.025 8.636 -0.366 1.00 0.00 C ATOM 932 CD GLU A 60 1.530 8.468 -0.432 1.00 0.00 C ATOM 933 OE1 GLU A 60 2.248 9.469 -0.231 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.989 7.334 -0.683 1.00 0.00 O ATOM 0 H GLU A 60 -2.830 7.768 0.108 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.876 9.173 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.890 6.738 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.075 7.424 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.235 9.658 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.309 8.489 0.661 1.00 0.00 H new ATOM 941 N ARG A 61 -2.819 7.770 -4.058 1.00 0.00 N ATOM 942 CA ARG A 61 -3.382 6.983 -5.157 1.00 0.00 C ATOM 943 C ARG A 61 -2.550 5.731 -5.423 1.00 0.00 C ATOM 944 O ARG A 61 -1.327 5.801 -5.530 1.00 0.00 O ATOM 945 CB ARG A 61 -3.485 7.845 -6.418 1.00 0.00 C ATOM 946 CG ARG A 61 -4.916 8.099 -6.866 1.00 0.00 C ATOM 947 CD ARG A 61 -5.461 9.391 -6.278 1.00 0.00 C ATOM 948 NE ARG A 61 -6.918 9.370 -6.164 1.00 0.00 N ATOM 949 CZ ARG A 61 -7.667 10.464 -6.036 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.101 11.663 -5.999 1.00 0.00 N ATOM 951 NH2 ARG A 61 -8.986 10.357 -5.943 1.00 0.00 N ATOM 0 H ARG A 61 -2.587 8.731 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.382 6.658 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.995 8.801 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.941 7.357 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.955 8.148 -7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.548 7.264 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.023 9.554 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.159 10.230 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.388 8.465 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.087 11.751 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.680 12.497 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.426 9.437 -5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.560 11.194 -5.845 1.00 0.00 H new ATOM 965 N MET A 62 -3.230 4.583 -5.529 1.00 0.00 N ATOM 966 CA MET A 62 -2.564 3.293 -5.773 1.00 0.00 C ATOM 967 C MET A 62 -1.273 3.472 -6.565 1.00 0.00 C ATOM 968 O MET A 62 -0.181 3.515 -5.997 1.00 0.00 O ATOM 969 CB MET A 62 -3.513 2.297 -6.472 1.00 0.00 C ATOM 970 CG MET A 62 -4.061 2.721 -7.839 1.00 0.00 C ATOM 971 SD MET A 62 -4.957 4.286 -7.800 1.00 0.00 S ATOM 972 CE MET A 62 -3.746 5.428 -8.452 1.00 0.00 C ATOM 0 H MET A 62 -4.245 4.519 -5.450 1.00 0.00 H new ATOM 0 HA MET A 62 -2.298 2.874 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.985 1.351 -6.594 1.00 0.00 H new ATOM 0 HB3 MET A 62 -4.358 2.108 -5.809 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.234 2.802 -8.544 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.724 1.941 -8.214 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.241 6.353 -8.748 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.000 5.644 -7.687 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.258 4.984 -9.320 1.00 0.00 H new ATOM 982 N PHE A 63 -1.410 3.594 -7.868 1.00 0.00 N ATOM 983 CA PHE A 63 -0.264 3.786 -8.749 1.00 0.00 C ATOM 984 C PHE A 63 0.538 5.014 -8.353 1.00 0.00 C ATOM 985 O PHE A 63 1.761 5.028 -8.485 1.00 0.00 O ATOM 986 CB PHE A 63 -0.717 3.957 -10.199 1.00 0.00 C ATOM 987 CG PHE A 63 -1.888 3.112 -10.579 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.006 3.692 -11.147 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.869 1.745 -10.380 1.00 0.00 C ATOM 990 CE1 PHE A 63 -4.091 2.921 -11.509 1.00 0.00 C ATOM 991 CE2 PHE A 63 -2.951 0.967 -10.737 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.065 1.555 -11.303 1.00 0.00 C ATOM 0 H PHE A 63 -2.309 3.564 -8.349 1.00 0.00 H new ATOM 0 HA PHE A 63 0.361 2.898 -8.655 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.969 5.004 -10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.117 3.719 -10.859 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.031 4.759 -11.309 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.998 1.281 -9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.960 3.384 -11.953 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.927 -0.100 -10.574 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.914 0.949 -11.584 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.145 6.052 -7.872 1.00 0.00 N ATOM 1003 CA ASP A 64 0.542 7.274 -7.488 1.00 0.00 C ATOM 1004 C ASP A 64 1.661 6.954 -6.515 1.00 0.00 C ATOM 1005 O ASP A 64 2.732 7.559 -6.553 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.424 8.288 -6.874 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.227 9.027 -7.927 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.757 8.364 -8.843 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.326 10.269 -7.835 1.00 0.00 O ATOM 0 H ASP A 64 -1.157 6.068 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 64 0.965 7.722 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.105 7.774 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.138 9.007 -6.278 1.00 0.00 H new ATOM 1014 N VAL A 65 1.409 5.968 -5.666 1.00 0.00 N ATOM 1015 CA VAL A 65 2.397 5.525 -4.703 1.00 0.00 C ATOM 1016 C VAL A 65 3.407 4.626 -5.396 1.00 0.00 C ATOM 1017 O VAL A 65 4.589 4.620 -5.063 1.00 0.00 O ATOM 1018 CB VAL A 65 1.755 4.733 -3.544 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.692 4.684 -2.349 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.404 5.324 -3.155 1.00 0.00 C ATOM 0 H VAL A 65 0.525 5.461 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 65 2.878 6.413 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 65 1.583 3.712 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.223 4.122 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.624 4.197 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.903 5.698 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.024 4.745 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.537 6.358 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.268 5.291 -4.013 1.00 0.00 H new ATOM 1030 N LEU A 66 2.911 3.871 -6.373 1.00 0.00 N ATOM 1031 CA LEU A 66 3.730 2.947 -7.140 1.00 0.00 C ATOM 1032 C LEU A 66 4.619 3.682 -8.146 1.00 0.00 C ATOM 1033 O LEU A 66 5.471 3.072 -8.792 1.00 0.00 O ATOM 1034 CB LEU A 66 2.819 1.947 -7.856 1.00 0.00 C ATOM 1035 CG LEU A 66 3.029 0.484 -7.464 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.509 0.231 -6.056 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.345 -0.438 -8.461 1.00 0.00 C ATOM 0 H LEU A 66 1.930 3.885 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 66 4.392 2.417 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.782 2.216 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.972 2.045 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 66 4.098 0.272 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.666 -0.815 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.044 0.867 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.444 0.459 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.505 -1.475 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.276 -0.226 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.763 -0.274 -9.454 1.00 0.00 H new ATOM 1049 N GLN A 67 4.413 4.989 -8.279 1.00 0.00 N ATOM 1050 CA GLN A 67 5.194 5.795 -9.210 1.00 0.00 C ATOM 1051 C GLN A 67 6.408 6.421 -8.526 1.00 0.00 C ATOM 1052 O GLN A 67 7.360 6.827 -9.192 1.00 0.00 O ATOM 1053 CB GLN A 67 4.316 6.890 -9.821 1.00 0.00 C ATOM 1054 CG GLN A 67 3.943 6.631 -11.271 1.00 0.00 C ATOM 1055 CD GLN A 67 3.142 7.767 -11.877 1.00 0.00 C ATOM 1056 OE1 GLN A 67 3.473 8.272 -12.950 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.081 8.176 -11.191 1.00 0.00 N ATOM 0 H GLN A 67 3.712 5.512 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 67 5.556 5.137 -10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.404 6.985 -9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.839 7.844 -9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.851 6.479 -11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.365 5.709 -11.335 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.843 7.729 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.504 8.937 -11.550 1.00 0.00 H new ATOM 1066 N ARG A 68 6.372 6.509 -7.198 1.00 0.00 N ATOM 1067 CA ARG A 68 7.472 7.097 -6.448 1.00 0.00 C ATOM 1068 C ARG A 68 8.636 6.118 -6.312 1.00 0.00 C ATOM 1069 O ARG A 68 9.794 6.528 -6.236 1.00 0.00 O ATOM 1070 CB ARG A 68 6.990 7.545 -5.069 1.00 0.00 C ATOM 1071 CG ARG A 68 6.616 6.397 -4.145 1.00 0.00 C ATOM 1072 CD ARG A 68 7.306 6.520 -2.798 1.00 0.00 C ATOM 1073 NE ARG A 68 7.987 5.284 -2.414 1.00 0.00 N ATOM 1074 CZ ARG A 68 9.158 5.243 -1.778 1.00 0.00 C ATOM 1075 NH1 ARG A 68 9.788 6.364 -1.448 1.00 0.00 N ATOM 1076 NH2 ARG A 68 9.700 4.074 -1.468 1.00 0.00 N ATOM 0 H ARG A 68 5.595 6.181 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 68 7.829 7.967 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.772 8.139 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.125 8.197 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.536 6.381 -4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.890 5.450 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.029 7.335 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.570 6.780 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 68 7.538 4.398 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.377 7.268 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.683 6.321 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.221 3.208 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.596 4.040 -0.981 1.00 0.00 H new ATOM 1090 N PHE A 69 8.327 4.825 -6.286 1.00 0.00 N ATOM 1091 CA PHE A 69 9.360 3.802 -6.165 1.00 0.00 C ATOM 1092 C PHE A 69 10.250 3.796 -7.401 1.00 0.00 C ATOM 1093 O PHE A 69 11.457 3.571 -7.311 1.00 0.00 O ATOM 1094 CB PHE A 69 8.736 2.416 -5.980 1.00 0.00 C ATOM 1095 CG PHE A 69 7.786 2.314 -4.819 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.446 2.606 -4.981 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.232 1.905 -3.572 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.567 2.495 -3.923 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.361 1.795 -2.504 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.024 2.092 -2.688 1.00 0.00 C ATOM 0 H PHE A 69 7.376 4.462 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 69 9.962 4.038 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.206 2.145 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.534 1.686 -5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.082 2.925 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.277 1.668 -3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.521 2.724 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.722 1.480 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.335 2.008 -1.860 1.00 0.00 H new ATOM 1110 N GLY A 70 9.641 4.040 -8.557 1.00 0.00 N ATOM 1111 CA GLY A 70 10.382 4.055 -9.804 1.00 0.00 C ATOM 1112 C GLY A 70 9.860 3.031 -10.792 1.00 0.00 C ATOM 1113 O GLY A 70 8.658 2.772 -10.849 1.00 0.00 O ATOM 0 H GLY A 70 8.643 4.228 -8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.323 5.049 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.435 3.858 -9.602 1.00 0.00 H new ATOM 1117 N SER A 71 10.765 2.446 -11.571 1.00 0.00 N ATOM 1118 CA SER A 71 10.384 1.442 -12.558 1.00 0.00 C ATOM 1119 C SER A 71 9.978 0.138 -11.877 1.00 0.00 C ATOM 1120 O SER A 71 9.180 -0.631 -12.413 1.00 0.00 O ATOM 1121 CB SER A 71 11.539 1.188 -13.529 1.00 0.00 C ATOM 1122 OG SER A 71 11.931 2.384 -14.179 1.00 0.00 O ATOM 0 H SER A 71 11.764 2.649 -11.538 1.00 0.00 H new ATOM 0 HA SER A 71 9.528 1.821 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.388 0.769 -12.988 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.238 0.449 -14.271 1.00 0.00 H new ATOM 0 HG SER A 71 12.671 2.195 -14.793 1.00 0.00 H new ATOM 1128 N GLN A 72 10.533 -0.104 -10.694 1.00 0.00 N ATOM 1129 CA GLN A 72 10.229 -1.314 -9.940 1.00 0.00 C ATOM 1130 C GLN A 72 8.971 -1.129 -9.096 1.00 0.00 C ATOM 1131 O GLN A 72 9.043 -0.708 -7.942 1.00 0.00 O ATOM 1132 CB GLN A 72 11.410 -1.686 -9.040 1.00 0.00 C ATOM 1133 CG GLN A 72 12.392 -2.646 -9.692 1.00 0.00 C ATOM 1134 CD GLN A 72 13.483 -1.927 -10.463 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.342 -0.756 -10.814 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.578 -2.629 -10.731 1.00 0.00 N ATOM 0 H GLN A 72 11.196 0.522 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 72 10.051 -2.121 -10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.939 -0.777 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.030 -2.135 -8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.847 -3.272 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.852 -3.310 -10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.652 -3.598 -10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.345 -2.199 -11.248 1.00 0.00 H new ATOM 1145 N ARG A 73 7.820 -1.445 -9.681 1.00 0.00 N ATOM 1146 CA ARG A 73 6.545 -1.311 -8.982 1.00 0.00 C ATOM 1147 C ARG A 73 6.222 -2.570 -8.180 1.00 0.00 C ATOM 1148 O ARG A 73 5.506 -2.512 -7.180 1.00 0.00 O ATOM 1149 CB ARG A 73 5.416 -1.021 -9.975 1.00 0.00 C ATOM 1150 CG ARG A 73 5.478 -1.863 -11.241 1.00 0.00 C ATOM 1151 CD ARG A 73 6.068 -1.079 -12.404 1.00 0.00 C ATOM 1152 NE ARG A 73 5.053 -0.723 -13.393 1.00 0.00 N ATOM 1153 CZ ARG A 73 5.194 0.260 -14.281 1.00 0.00 C ATOM 1154 NH1 ARG A 73 6.304 0.986 -14.307 1.00 0.00 N ATOM 1155 NH2 ARG A 73 4.221 0.517 -15.143 1.00 0.00 N ATOM 0 H ARG A 73 7.743 -1.795 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 73 6.632 -0.474 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.459 -1.193 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.448 0.033 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.080 -2.753 -11.058 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.476 -2.204 -11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.541 -0.172 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.848 -1.671 -12.882 1.00 0.00 H new ATOM 0 HE ARG A 73 4.185 -1.259 -13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.055 0.793 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.406 1.737 -14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.365 -0.038 -15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.328 1.269 -15.823 1.00 0.00 H new ATOM 1169 N ASN A 74 6.754 -3.707 -8.622 1.00 0.00 N ATOM 1170 CA ASN A 74 6.520 -4.976 -7.940 1.00 0.00 C ATOM 1171 C ASN A 74 7.674 -5.307 -6.995 1.00 0.00 C ATOM 1172 O ASN A 74 7.976 -6.476 -6.754 1.00 0.00 O ATOM 1173 CB ASN A 74 6.336 -6.100 -8.962 1.00 0.00 C ATOM 1174 CG ASN A 74 4.907 -6.605 -9.015 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.079 -6.082 -9.761 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.612 -7.629 -8.222 1.00 0.00 N ATOM 0 H ASN A 74 7.349 -3.775 -9.448 1.00 0.00 H new ATOM 0 HA ASN A 74 5.609 -4.882 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.629 -5.742 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.002 -6.926 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.667 -8.013 -8.215 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.330 -8.031 -7.620 1.00 0.00 H new ATOM 1183 N GLU A 75 8.313 -4.270 -6.467 1.00 0.00 N ATOM 1184 CA GLU A 75 9.435 -4.444 -5.551 1.00 0.00 C ATOM 1185 C GLU A 75 9.153 -3.804 -4.192 1.00 0.00 C ATOM 1186 O GLU A 75 9.953 -3.928 -3.266 1.00 0.00 O ATOM 1187 CB GLU A 75 10.698 -3.811 -6.138 1.00 0.00 C ATOM 1188 CG GLU A 75 11.981 -4.518 -5.730 1.00 0.00 C ATOM 1189 CD GLU A 75 12.030 -5.955 -6.209 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.740 -6.767 -5.578 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.360 -6.270 -7.214 1.00 0.00 O ATOM 0 H GLU A 75 8.073 -3.297 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 75 9.579 -5.516 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.623 -3.812 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.752 -2.769 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.835 -3.975 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.074 -4.497 -4.644 1.00 0.00 H new ATOM 1198 N VAL A 76 8.025 -3.105 -4.088 1.00 0.00 N ATOM 1199 CA VAL A 76 7.654 -2.418 -2.851 1.00 0.00 C ATOM 1200 C VAL A 76 6.757 -3.272 -1.966 1.00 0.00 C ATOM 1201 O VAL A 76 6.163 -4.255 -2.410 1.00 0.00 O ATOM 1202 CB VAL A 76 6.958 -1.059 -3.137 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.645 -0.895 -4.619 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.696 -0.864 -2.291 1.00 0.00 C ATOM 0 H VAL A 76 7.351 -2.999 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 76 8.586 -2.233 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 76 7.665 -0.281 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.159 0.066 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.571 -0.937 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.982 -1.697 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.245 0.100 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.985 -1.660 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.959 -0.893 -1.234 1.00 0.00 H new ATOM 1214 N ARG A 77 6.649 -2.853 -0.713 1.00 0.00 N ATOM 1215 CA ARG A 77 5.813 -3.521 0.265 1.00 0.00 C ATOM 1216 C ARG A 77 4.926 -2.496 0.954 1.00 0.00 C ATOM 1217 O ARG A 77 5.381 -1.406 1.296 1.00 0.00 O ATOM 1218 CB ARG A 77 6.677 -4.251 1.296 1.00 0.00 C ATOM 1219 CG ARG A 77 7.332 -5.511 0.755 1.00 0.00 C ATOM 1220 CD ARG A 77 8.298 -6.116 1.762 1.00 0.00 C ATOM 1221 NE ARG A 77 9.571 -6.483 1.148 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.539 -5.612 0.868 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.382 -4.324 1.147 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.665 -6.031 0.309 1.00 0.00 N ATOM 0 H ARG A 77 7.142 -2.038 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 77 5.189 -4.257 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.452 -3.573 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.060 -4.512 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.564 -6.242 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.865 -5.278 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.476 -5.403 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.845 -6.999 2.213 1.00 0.00 H new ATOM 0 HE ARG A 77 9.728 -7.465 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.517 -3.997 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.126 -3.661 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.790 -7.020 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.407 -5.364 0.094 1.00 0.00 H new ATOM 1238 N PHE A 78 3.664 -2.850 1.160 1.00 0.00 N ATOM 1239 CA PHE A 78 2.723 -1.966 1.828 1.00 0.00 C ATOM 1240 C PHE A 78 2.490 -2.496 3.233 1.00 0.00 C ATOM 1241 O PHE A 78 2.376 -3.700 3.422 1.00 0.00 O ATOM 1242 CB PHE A 78 1.408 -1.884 1.050 1.00 0.00 C ATOM 1243 CG PHE A 78 1.495 -1.042 -0.192 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.601 -0.006 -0.404 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.470 -1.287 -1.145 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.678 0.771 -1.545 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.552 -0.514 -2.288 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.654 0.516 -2.488 1.00 0.00 C ATOM 0 H PHE A 78 3.270 -3.746 0.873 1.00 0.00 H new ATOM 0 HA PHE A 78 3.131 -0.957 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.095 -2.891 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.635 -1.477 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.165 0.197 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.174 -2.091 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.025 1.577 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.317 -0.715 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.715 1.121 -3.381 1.00 0.00 H new ATOM 1258 N PHE A 79 2.478 -1.613 4.219 1.00 0.00 N ATOM 1259 CA PHE A 79 2.309 -2.040 5.609 1.00 0.00 C ATOM 1260 C PHE A 79 1.444 -1.057 6.390 1.00 0.00 C ATOM 1261 O PHE A 79 1.510 0.152 6.173 1.00 0.00 O ATOM 1262 CB PHE A 79 3.686 -2.199 6.271 1.00 0.00 C ATOM 1263 CG PHE A 79 4.814 -2.125 5.280 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.634 -3.215 5.039 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.032 -0.960 4.572 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.649 -3.138 4.107 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.042 -0.872 3.638 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.852 -1.969 3.406 1.00 0.00 C ATOM 0 H PHE A 79 2.582 -0.606 4.091 1.00 0.00 H new ATOM 0 HA PHE A 79 1.796 -3.002 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.816 -1.421 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.727 -3.156 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.478 -4.133 5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.400 -0.103 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.284 -3.993 3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.200 0.046 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.644 -1.909 2.675 1.00 0.00 H new ATOM 1278 N LEU A 80 0.624 -1.583 7.296 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.260 -0.739 8.095 1.00 0.00 C ATOM 1280 C LEU A 80 0.393 -0.348 9.418 1.00 0.00 C ATOM 1281 O LEU A 80 0.747 -1.205 10.226 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.581 -1.467 8.355 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.845 -0.691 7.979 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.054 0.484 8.920 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.778 -0.217 6.535 1.00 0.00 C ATOM 0 H LEU A 80 0.553 -2.581 7.494 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.455 0.175 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.574 -2.406 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.633 -1.722 9.414 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.698 -1.363 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.958 1.022 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.156 0.118 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.198 1.156 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.687 0.332 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.914 0.435 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.685 -1.078 5.873 1.00 0.00 H new ATOM 1297 N ARG A 81 0.546 0.959 9.630 1.00 0.00 N ATOM 1298 CA ARG A 81 1.154 1.469 10.854 1.00 0.00 C ATOM 1299 C ARG A 81 0.127 2.216 11.700 1.00 0.00 C ATOM 1300 O ARG A 81 -0.433 3.224 11.268 1.00 0.00 O ATOM 1301 CB ARG A 81 2.326 2.394 10.520 1.00 0.00 C ATOM 1302 CG ARG A 81 3.486 1.684 9.842 1.00 0.00 C ATOM 1303 CD ARG A 81 4.396 1.010 10.856 1.00 0.00 C ATOM 1304 NE ARG A 81 5.583 1.811 11.145 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.567 1.414 11.949 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.511 0.228 12.543 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.611 2.204 12.158 1.00 0.00 N ATOM 0 H ARG A 81 0.257 1.681 8.970 1.00 0.00 H new ATOM 0 HA ARG A 81 1.524 0.619 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.972 3.196 9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.683 2.861 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.101 0.939 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.061 2.401 9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.843 0.835 11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.701 0.034 10.477 1.00 0.00 H new ATOM 0 HE ARG A 81 5.662 2.728 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.711 -0.385 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.268 -0.071 13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.660 3.116 11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.365 1.900 12.774 1.00 0.00 H new