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= -0.98 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-5.1!) USER MOD Single : A 18 THR OG1 : rot 170:sc= 0 USER MOD Single : A 23 THR OG1 : rot 171:sc= -0.531 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.664 USER MOD Single : A 28 CYS SG : rot -151:sc= -7.01! USER MOD Single : A 35 CYS SG : rot -9:sc= -8.9! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= 0.0983 F(o=-2.2,f=0.098) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -165:sc= 0.225 USER MOD Single : A 59 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.46) USER MOD Single : A 62 MET CE :methyl -123:sc= -5.37! (180deg=-9.11!) USER MOD Single : A 67 GLN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 71 SER OG : rot -54:sc= 1.21 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.894 -1.488 -11.537 1.00 0.00 N ATOM 77 CA MET A 4 -2.796 -2.064 -10.768 1.00 0.00 C ATOM 78 C MET A 4 -3.271 -2.453 -9.374 1.00 0.00 C ATOM 79 O MET A 4 -4.467 -2.410 -9.084 1.00 0.00 O ATOM 80 CB MET A 4 -1.629 -1.078 -10.674 1.00 0.00 C ATOM 81 CG MET A 4 -0.976 -0.782 -12.015 1.00 0.00 C ATOM 82 SD MET A 4 0.208 -2.051 -12.506 1.00 0.00 S ATOM 83 CE MET A 4 0.650 -1.486 -14.147 1.00 0.00 C ATOM 0 HA MET A 4 -2.450 -2.961 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.986 -0.145 -10.239 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.878 -1.480 -9.994 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.748 -0.696 -12.780 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.469 0.182 -11.963 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.378 -2.170 -14.584 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.241 -1.456 -14.774 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.083 -0.488 -14.084 1.00 0.00 H new ATOM 93 N PHE A 5 -2.337 -2.845 -8.514 1.00 0.00 N ATOM 94 CA PHE A 5 -2.686 -3.252 -7.160 1.00 0.00 C ATOM 95 C PHE A 5 -1.519 -3.074 -6.201 1.00 0.00 C ATOM 96 O PHE A 5 -0.370 -2.915 -6.615 1.00 0.00 O ATOM 97 CB PHE A 5 -3.133 -4.715 -7.157 1.00 0.00 C ATOM 98 CG PHE A 5 -2.038 -5.673 -7.535 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.428 -5.590 -8.777 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.616 -6.652 -6.649 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.418 -6.463 -9.127 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.606 -7.530 -6.995 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.006 -7.435 -8.236 1.00 0.00 C ATOM 0 H PHE A 5 -1.341 -2.889 -8.729 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.501 -2.613 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.504 -4.972 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.966 -4.834 -7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.747 -4.834 -9.479 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.082 -6.730 -5.678 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.050 -6.386 -10.097 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.286 -8.289 -6.296 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.784 -8.119 -8.509 1.00 0.00 H new ATOM 113 N LEU A 6 -1.833 -3.098 -4.912 1.00 0.00 N ATOM 114 CA LEU A 6 -0.826 -2.939 -3.873 1.00 0.00 C ATOM 115 C LEU A 6 -1.010 -3.983 -2.767 1.00 0.00 C ATOM 116 O LEU A 6 -2.136 -4.322 -2.397 1.00 0.00 O ATOM 117 CB LEU A 6 -0.874 -1.513 -3.310 1.00 0.00 C ATOM 118 CG LEU A 6 -1.082 -1.390 -1.800 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.482 -0.095 -1.290 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.561 -1.472 -1.465 1.00 0.00 C ATOM 0 H LEU A 6 -2.782 -3.227 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 6 0.159 -3.101 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.058 -1.011 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.677 -0.973 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.574 -2.218 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.638 -0.021 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.587 -0.080 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.963 0.749 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.695 -1.383 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.093 -0.662 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.958 -2.429 -1.802 1.00 0.00 H new ATOM 132 N THR A 7 0.108 -4.489 -2.249 1.00 0.00 N ATOM 133 CA THR A 7 0.081 -5.492 -1.185 1.00 0.00 C ATOM 134 C THR A 7 0.420 -4.863 0.163 1.00 0.00 C ATOM 135 O THR A 7 1.554 -4.442 0.404 1.00 0.00 O ATOM 136 CB THR A 7 1.052 -6.637 -1.481 1.00 0.00 C ATOM 137 OG1 THR A 7 0.770 -7.223 -2.740 1.00 0.00 O ATOM 138 CG2 THR A 7 1.005 -7.736 -0.437 1.00 0.00 C ATOM 0 H THR A 7 1.045 -4.221 -2.549 1.00 0.00 H new ATOM 0 HA THR A 7 -0.930 -5.896 -1.142 1.00 0.00 H new ATOM 0 HB THR A 7 2.046 -6.189 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.403 -7.951 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.715 -8.520 -0.701 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.266 -7.323 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.000 -8.156 -0.396 1.00 0.00 H new ATOM 146 N VAL A 8 -0.581 -4.807 1.036 1.00 0.00 N ATOM 147 CA VAL A 8 -0.421 -4.230 2.368 1.00 0.00 C ATOM 148 C VAL A 8 -0.027 -5.294 3.383 1.00 0.00 C ATOM 149 O VAL A 8 -0.222 -6.481 3.149 1.00 0.00 O ATOM 150 CB VAL A 8 -1.720 -3.542 2.831 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.454 -2.615 4.009 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.361 -2.779 1.678 1.00 0.00 C ATOM 0 H VAL A 8 -1.519 -5.157 0.843 1.00 0.00 H new ATOM 0 HA VAL A 8 0.374 -3.487 2.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.415 -4.314 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.386 -2.142 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.047 -3.191 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.738 -1.848 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.277 -2.300 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.669 -2.019 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.596 -3.471 0.870 1.00 0.00 H new ATOM 162 N TYR A 9 0.545 -4.860 4.500 1.00 0.00 N ATOM 163 CA TYR A 9 0.985 -5.777 5.544 1.00 0.00 C ATOM 164 C TYR A 9 0.107 -5.668 6.779 1.00 0.00 C ATOM 165 O TYR A 9 -0.074 -4.580 7.343 1.00 0.00 O ATOM 166 CB TYR A 9 2.451 -5.525 5.906 1.00 0.00 C ATOM 167 CG TYR A 9 3.425 -6.317 5.060 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.179 -6.541 3.712 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.589 -6.841 5.609 1.00 0.00 C ATOM 170 CE1 TYR A 9 4.062 -7.265 2.933 1.00 0.00 C ATOM 171 CE2 TYR A 9 5.478 -7.565 4.836 1.00 0.00 C ATOM 172 CZ TYR A 9 5.210 -7.775 3.500 1.00 0.00 C ATOM 173 OH TYR A 9 6.093 -8.495 2.730 1.00 0.00 O ATOM 0 H TYR A 9 0.715 -3.876 4.706 1.00 0.00 H new ATOM 0 HA TYR A 9 0.894 -6.791 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.667 -4.462 5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.606 -5.775 6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.281 -6.142 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.803 -6.680 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.854 -7.430 1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.379 -7.965 5.277 1.00 0.00 H new ATOM 0 HH TYR A 9 6.850 -8.782 3.282 1.00 0.00 H new ATOM 183 N LEU A 10 -0.433 -6.817 7.177 1.00 0.00 N ATOM 184 CA LEU A 10 -1.308 -6.912 8.335 1.00 0.00 C ATOM 185 C LEU A 10 -0.509 -7.133 9.613 1.00 0.00 C ATOM 186 O LEU A 10 0.432 -7.927 9.643 1.00 0.00 O ATOM 187 CB LEU A 10 -2.300 -8.066 8.149 1.00 0.00 C ATOM 188 CG LEU A 10 -3.727 -7.648 7.804 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.530 -8.842 7.315 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.396 -7.007 9.010 1.00 0.00 C ATOM 0 H LEU A 10 -0.274 -7.707 6.704 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.850 -5.970 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.929 -8.719 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.323 -8.655 9.066 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.688 -6.913 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.544 -8.524 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.059 -9.257 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.564 -9.602 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.413 -6.714 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.424 -7.721 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.831 -6.126 9.314 1.00 0.00 H new ATOM 241 N GLU A 14 6.161 -9.460 8.859 1.00 0.00 N ATOM 242 CA GLU A 14 6.783 -9.289 7.551 1.00 0.00 C ATOM 243 C GLU A 14 6.320 -10.364 6.567 1.00 0.00 C ATOM 244 O GLU A 14 6.837 -10.457 5.453 1.00 0.00 O ATOM 245 CB GLU A 14 8.309 -9.323 7.683 1.00 0.00 C ATOM 246 CG GLU A 14 8.962 -7.957 7.542 1.00 0.00 C ATOM 247 CD GLU A 14 9.682 -7.790 6.218 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.842 -8.239 6.112 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.085 -7.209 5.286 1.00 0.00 O ATOM 0 HA GLU A 14 6.476 -8.319 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.572 -9.744 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.716 -9.991 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.201 -7.183 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.670 -7.811 8.358 1.00 0.00 H new ATOM 256 N GLN A 15 5.350 -11.176 6.981 1.00 0.00 N ATOM 257 CA GLN A 15 4.834 -12.242 6.126 1.00 0.00 C ATOM 258 C GLN A 15 3.320 -12.175 5.997 1.00 0.00 C ATOM 259 O GLN A 15 2.746 -12.867 5.154 1.00 0.00 O ATOM 260 CB GLN A 15 5.258 -13.610 6.662 1.00 0.00 C ATOM 261 CG GLN A 15 6.550 -14.127 6.053 1.00 0.00 C ATOM 262 CD GLN A 15 6.312 -15.048 4.872 1.00 0.00 C ATOM 263 OE1 GLN A 15 5.390 -14.663 3.999 1.00 0.00 O flip ATOM 264 NE2 GLN A 15 6.949 -16.094 4.747 1.00 0.00 N flip ATOM 0 H GLN A 15 4.908 -11.117 7.898 1.00 0.00 H new ATOM 0 HA GLN A 15 5.260 -12.101 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.376 -13.547 7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.462 -14.329 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.160 -13.282 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.119 -14.660 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.649 -16.351 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.777 -16.704 3.948 1.00 0.00 H new ATOM 273 N HIS A 16 2.660 -11.326 6.784 1.00 0.00 N ATOM 274 CA HIS A 16 1.220 -11.209 6.649 1.00 0.00 C ATOM 275 C HIS A 16 0.927 -9.967 5.833 1.00 0.00 C ATOM 276 O HIS A 16 1.309 -8.857 6.203 1.00 0.00 O ATOM 277 CB HIS A 16 0.572 -11.086 8.030 1.00 0.00 C ATOM 278 CG HIS A 16 -0.900 -11.355 8.052 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.739 -11.066 6.998 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.687 -11.866 9.027 1.00 0.00 C ATOM 281 CE1 HIS A 16 -2.978 -11.384 7.326 1.00 0.00 C ATOM 282 NE2 HIS A 16 -2.975 -11.873 8.553 1.00 0.00 N ATOM 0 H HIS A 16 3.085 -10.731 7.495 1.00 0.00 H new ATOM 0 HA HIS A 16 0.815 -12.093 6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 16 1.065 -11.779 8.712 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.750 -10.081 8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.362 -12.206 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.848 -11.264 6.697 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.794 -12.202 9.064 1.00 0.00 H new ATOM 291 N PHE A 17 0.249 -10.167 4.722 1.00 0.00 N ATOM 292 CA PHE A 17 -0.100 -9.075 3.839 1.00 0.00 C ATOM 293 C PHE A 17 -1.455 -9.278 3.204 1.00 0.00 C ATOM 294 O PHE A 17 -1.936 -10.405 3.084 1.00 0.00 O ATOM 295 CB PHE A 17 0.951 -8.900 2.757 1.00 0.00 C ATOM 296 CG PHE A 17 1.325 -10.185 2.103 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.557 -10.691 1.064 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.445 -10.887 2.526 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.909 -11.882 0.458 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.797 -12.075 1.930 1.00 0.00 C ATOM 301 CZ PHE A 17 2.029 -12.578 0.891 1.00 0.00 C ATOM 0 H PHE A 17 -0.073 -11.083 4.408 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.142 -8.172 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.577 -8.209 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.842 -8.446 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.317 -10.153 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.047 -10.496 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.312 -12.272 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.669 -12.614 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.302 -13.510 0.419 1.00 0.00 H new ATOM 311 N THR A 18 -2.031 -8.194 2.730 1.00 0.00 N ATOM 312 CA THR A 18 -3.288 -8.270 2.028 1.00 0.00 C ATOM 313 C THR A 18 -3.208 -7.411 0.776 1.00 0.00 C ATOM 314 O THR A 18 -3.083 -6.189 0.854 1.00 0.00 O ATOM 315 CB THR A 18 -4.449 -7.826 2.918 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.687 -8.012 2.257 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.363 -6.371 3.330 1.00 0.00 C ATOM 0 H THR A 18 -1.648 -7.253 2.819 1.00 0.00 H new ATOM 0 HA THR A 18 -3.476 -9.306 1.748 1.00 0.00 H new ATOM 0 HB THR A 18 -4.382 -8.446 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.421 -7.877 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.216 -6.120 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.440 -6.204 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.370 -5.740 2.441 1.00 0.00 H new ATOM 325 N GLU A 19 -3.257 -8.062 -0.375 1.00 0.00 N ATOM 326 CA GLU A 19 -3.166 -7.362 -1.646 1.00 0.00 C ATOM 327 C GLU A 19 -4.543 -7.039 -2.194 1.00 0.00 C ATOM 328 O GLU A 19 -5.519 -7.734 -1.910 1.00 0.00 O ATOM 329 CB GLU A 19 -2.370 -8.187 -2.658 1.00 0.00 C ATOM 330 CG GLU A 19 -2.646 -9.682 -2.593 1.00 0.00 C ATOM 331 CD GLU A 19 -2.103 -10.428 -3.797 1.00 0.00 C ATOM 332 OE1 GLU A 19 -0.884 -10.332 -4.056 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.896 -11.110 -4.479 1.00 0.00 O ATOM 0 H GLU A 19 -3.359 -9.074 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.643 -6.422 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.598 -7.829 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.306 -8.017 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.201 -10.091 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.721 -9.847 -2.523 1.00 0.00 H new ATOM 340 N VAL A 20 -4.617 -5.968 -2.972 1.00 0.00 N ATOM 341 CA VAL A 20 -5.886 -5.543 -3.548 1.00 0.00 C ATOM 342 C VAL A 20 -5.690 -4.689 -4.801 1.00 0.00 C ATOM 343 O VAL A 20 -4.821 -3.814 -4.841 1.00 0.00 O ATOM 344 CB VAL A 20 -6.709 -4.740 -2.522 1.00 0.00 C ATOM 345 CG1 VAL A 20 -5.966 -3.477 -2.108 1.00 0.00 C ATOM 346 CG2 VAL A 20 -8.085 -4.404 -3.080 1.00 0.00 C ATOM 0 H VAL A 20 -3.820 -5.381 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.422 -6.451 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.847 -5.358 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.564 -2.924 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.010 -3.748 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.791 -2.854 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.649 -3.837 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.975 -3.808 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.618 -5.326 -3.314 1.00 0.00 H new ATOM 356 N PRO A 21 -6.514 -4.928 -5.842 1.00 0.00 N ATOM 357 CA PRO A 21 -6.454 -4.181 -7.092 1.00 0.00 C ATOM 358 C PRO A 21 -7.325 -2.933 -7.041 1.00 0.00 C ATOM 359 O PRO A 21 -8.471 -2.986 -6.597 1.00 0.00 O ATOM 360 CB PRO A 21 -7.011 -5.184 -8.094 1.00 0.00 C ATOM 361 CG PRO A 21 -8.033 -5.950 -7.321 1.00 0.00 C ATOM 362 CD PRO A 21 -7.584 -5.945 -5.877 1.00 0.00 C ATOM 0 HA PRO A 21 -5.453 -3.822 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.456 -4.682 -8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.229 -5.839 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.017 -5.492 -7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.117 -6.970 -7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.402 -5.687 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.215 -6.924 -5.570 1.00 0.00 H new ATOM 370 N VAL A 22 -6.776 -1.809 -7.483 1.00 0.00 N ATOM 371 CA VAL A 22 -7.517 -0.555 -7.465 1.00 0.00 C ATOM 372 C VAL A 22 -7.011 0.408 -8.533 1.00 0.00 C ATOM 373 O VAL A 22 -5.869 0.314 -8.983 1.00 0.00 O ATOM 374 CB VAL A 22 -7.446 0.131 -6.067 1.00 0.00 C ATOM 375 CG1 VAL A 22 -6.722 -0.753 -5.057 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.778 1.503 -6.141 1.00 0.00 C ATOM 0 H VAL A 22 -5.829 -1.740 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.556 -0.802 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.473 0.275 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.688 -0.249 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.254 -1.699 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.706 -0.944 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.748 1.947 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.762 1.393 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.347 2.149 -6.810 1.00 0.00 H new ATOM 386 N THR A 23 -7.863 1.355 -8.899 1.00 0.00 N ATOM 387 CA THR A 23 -7.504 2.372 -9.875 1.00 0.00 C ATOM 388 C THR A 23 -7.066 3.622 -9.127 1.00 0.00 C ATOM 389 O THR A 23 -7.305 3.733 -7.927 1.00 0.00 O ATOM 390 CB THR A 23 -8.691 2.685 -10.788 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.916 2.504 -10.099 1.00 0.00 O ATOM 392 CG2 THR A 23 -8.731 1.823 -12.031 1.00 0.00 C ATOM 0 H THR A 23 -8.811 1.440 -8.533 1.00 0.00 H new ATOM 0 HA THR A 23 -6.690 2.009 -10.502 1.00 0.00 H new ATOM 0 HB THR A 23 -8.559 3.724 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.653 2.846 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.596 2.096 -12.635 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.821 1.978 -12.610 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.805 0.774 -11.744 1.00 0.00 H new ATOM 400 N PRO A 24 -6.418 4.584 -9.793 1.00 0.00 N ATOM 401 CA PRO A 24 -5.969 5.801 -9.122 1.00 0.00 C ATOM 402 C PRO A 24 -7.131 6.703 -8.721 1.00 0.00 C ATOM 403 O PRO A 24 -7.207 7.865 -9.118 1.00 0.00 O ATOM 404 CB PRO A 24 -5.070 6.470 -10.152 1.00 0.00 C ATOM 405 CG PRO A 24 -5.551 5.963 -11.471 1.00 0.00 C ATOM 406 CD PRO A 24 -6.068 4.569 -11.225 1.00 0.00 C ATOM 0 HA PRO A 24 -5.455 5.589 -8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.145 7.556 -10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.023 6.214 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.337 6.604 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.743 5.955 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.934 4.345 -11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.313 3.815 -11.446 1.00 0.00 H new ATOM 414 N GLU A 25 -8.024 6.146 -7.909 1.00 0.00 N ATOM 415 CA GLU A 25 -9.186 6.859 -7.406 1.00 0.00 C ATOM 416 C GLU A 25 -9.271 6.662 -5.899 1.00 0.00 C ATOM 417 O GLU A 25 -9.457 7.616 -5.142 1.00 0.00 O ATOM 418 CB GLU A 25 -10.464 6.352 -8.079 1.00 0.00 C ATOM 419 CG GLU A 25 -10.747 4.883 -7.819 1.00 0.00 C ATOM 420 CD GLU A 25 -11.915 4.361 -8.631 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.023 3.127 -8.791 1.00 0.00 O ATOM 422 OE2 GLU A 25 -12.723 5.187 -9.107 1.00 0.00 O ATOM 0 H GLU A 25 -7.959 5.182 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.084 7.920 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.309 6.944 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.387 6.514 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.857 4.299 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.954 4.739 -6.758 1.00 0.00 H new ATOM 429 N THR A 26 -9.097 5.413 -5.470 1.00 0.00 N ATOM 430 CA THR A 26 -9.114 5.083 -4.054 1.00 0.00 C ATOM 431 C THR A 26 -7.721 5.260 -3.476 1.00 0.00 C ATOM 432 O THR A 26 -6.727 5.078 -4.180 1.00 0.00 O ATOM 433 CB THR A 26 -9.590 3.651 -3.828 1.00 0.00 C ATOM 434 OG1 THR A 26 -8.968 2.761 -4.740 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.088 3.489 -3.968 1.00 0.00 C ATOM 0 H THR A 26 -8.943 4.615 -6.087 1.00 0.00 H new ATOM 0 HA THR A 26 -9.810 5.754 -3.552 1.00 0.00 H new ATOM 0 HB THR A 26 -9.312 3.414 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.495 1.937 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.359 2.448 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.592 4.121 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.393 3.781 -4.973 1.00 0.00 H new ATOM 443 N ILE A 27 -7.636 5.610 -2.199 1.00 0.00 N ATOM 444 CA ILE A 27 -6.326 5.794 -1.576 1.00 0.00 C ATOM 445 C ILE A 27 -6.254 5.217 -0.162 1.00 0.00 C ATOM 446 O ILE A 27 -7.062 5.550 0.704 1.00 0.00 O ATOM 447 CB ILE A 27 -6.010 7.302 -1.492 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.924 7.994 -0.465 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.161 7.957 -2.858 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.388 7.616 -0.559 1.00 0.00 C ATOM 0 H ILE A 27 -8.435 5.770 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.604 5.263 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.976 7.414 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.566 7.757 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.834 9.073 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.934 9.020 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.473 7.491 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.184 7.830 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.952 8.153 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.769 7.880 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.497 6.543 -0.403 1.00 0.00 H new ATOM 462 N CYS A 28 -5.241 4.383 0.069 1.00 0.00 N ATOM 463 CA CYS A 28 -4.983 3.766 1.375 1.00 0.00 C ATOM 464 C CYS A 28 -6.276 3.385 2.093 1.00 0.00 C ATOM 465 O CYS A 28 -6.297 3.228 3.315 1.00 0.00 O ATOM 466 CB CYS A 28 -4.118 4.658 2.256 1.00 0.00 C ATOM 467 SG CYS A 28 -3.249 3.764 3.567 1.00 0.00 S ATOM 0 H CYS A 28 -4.569 4.113 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.431 2.846 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.386 5.170 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.746 5.426 2.707 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.061 4.555 4.581 1.00 0.00 H new ATOM 473 N ARG A 29 -7.335 3.202 1.327 1.00 0.00 N ATOM 474 CA ARG A 29 -8.619 2.810 1.881 1.00 0.00 C ATOM 475 C ARG A 29 -8.617 1.311 2.009 1.00 0.00 C ATOM 476 O ARG A 29 -8.979 0.749 3.041 1.00 0.00 O ATOM 477 CB ARG A 29 -9.765 3.269 0.979 1.00 0.00 C ATOM 478 CG ARG A 29 -10.182 4.712 1.208 1.00 0.00 C ATOM 479 CD ARG A 29 -10.980 5.256 0.033 1.00 0.00 C ATOM 480 NE ARG A 29 -12.287 5.763 0.446 1.00 0.00 N ATOM 481 CZ ARG A 29 -12.478 6.958 1.002 1.00 0.00 C ATOM 482 NH1 ARG A 29 -11.449 7.767 1.218 1.00 0.00 N ATOM 483 NH2 ARG A 29 -13.699 7.342 1.343 1.00 0.00 N ATOM 0 H ARG A 29 -7.332 3.319 0.314 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.768 3.278 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.467 3.147 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.626 2.621 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.780 4.779 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.296 5.327 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.417 6.055 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.114 4.469 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.101 5.166 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.507 7.475 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.600 8.681 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.493 6.722 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.846 8.257 1.769 1.00 0.00 H new ATOM 497 N ASP A 30 -8.150 0.677 0.949 1.00 0.00 N ATOM 498 CA ASP A 30 -8.028 -0.766 0.921 1.00 0.00 C ATOM 499 C ASP A 30 -6.861 -1.186 1.808 1.00 0.00 C ATOM 500 O ASP A 30 -6.871 -2.262 2.403 1.00 0.00 O ATOM 501 CB ASP A 30 -7.813 -1.261 -0.510 1.00 0.00 C ATOM 502 CG ASP A 30 -9.117 -1.452 -1.259 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.318 -0.768 -2.285 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.938 -2.284 -0.820 1.00 0.00 O ATOM 0 H ASP A 30 -7.848 1.143 0.093 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.949 -1.211 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.189 -0.547 -1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.269 -2.205 -0.487 1.00 0.00 H new ATOM 509 N VAL A 31 -5.856 -0.310 1.900 1.00 0.00 N ATOM 510 CA VAL A 31 -4.684 -0.572 2.723 1.00 0.00 C ATOM 511 C VAL A 31 -5.060 -0.578 4.203 1.00 0.00 C ATOM 512 O VAL A 31 -4.759 -1.531 4.924 1.00 0.00 O ATOM 513 CB VAL A 31 -3.582 0.487 2.468 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.379 0.286 3.383 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.146 0.472 1.011 1.00 0.00 C ATOM 0 H VAL A 31 -5.836 0.586 1.412 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.296 -1.553 2.450 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.013 1.462 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.630 1.049 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.695 0.366 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.951 -0.701 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.372 1.223 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.752 -0.513 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.001 0.694 0.373 1.00 0.00 H new ATOM 525 N VAL A 32 -5.725 0.484 4.651 1.00 0.00 N ATOM 526 CA VAL A 32 -6.139 0.584 6.047 1.00 0.00 C ATOM 527 C VAL A 32 -7.307 -0.352 6.353 1.00 0.00 C ATOM 528 O VAL A 32 -7.279 -1.088 7.338 1.00 0.00 O ATOM 529 CB VAL A 32 -6.522 2.029 6.419 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.048 2.098 7.847 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.324 2.951 6.245 1.00 0.00 C ATOM 0 H VAL A 32 -5.987 1.282 4.072 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.283 0.283 6.651 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.317 2.359 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.312 3.128 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.931 1.465 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.278 1.750 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.607 3.969 6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.512 2.619 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.993 2.926 5.207 1.00 0.00 H new ATOM 541 N ASP A 33 -8.336 -0.317 5.510 1.00 0.00 N ATOM 542 CA ASP A 33 -9.512 -1.159 5.705 1.00 0.00 C ATOM 543 C ASP A 33 -9.134 -2.635 5.790 1.00 0.00 C ATOM 544 O ASP A 33 -9.666 -3.372 6.621 1.00 0.00 O ATOM 545 CB ASP A 33 -10.520 -0.949 4.574 1.00 0.00 C ATOM 546 CG ASP A 33 -11.161 0.425 4.619 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.265 0.584 4.055 1.00 0.00 O ATOM 548 OD2 ASP A 33 -10.560 1.342 5.217 1.00 0.00 O ATOM 0 H ASP A 33 -8.379 0.284 4.687 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.968 -0.866 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.019 -1.082 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.296 -1.711 4.637 1.00 0.00 H new ATOM 553 N LEU A 34 -8.223 -3.068 4.923 1.00 0.00 N ATOM 554 CA LEU A 34 -7.796 -4.464 4.910 1.00 0.00 C ATOM 555 C LEU A 34 -6.828 -4.762 6.050 1.00 0.00 C ATOM 556 O LEU A 34 -6.840 -5.858 6.610 1.00 0.00 O ATOM 557 CB LEU A 34 -7.144 -4.809 3.570 1.00 0.00 C ATOM 558 CG LEU A 34 -8.066 -4.708 2.353 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.263 -4.812 1.066 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.135 -5.789 2.405 1.00 0.00 C ATOM 0 H LEU A 34 -7.769 -2.478 4.226 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.683 -5.082 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.292 -4.146 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.752 -5.824 3.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.558 -3.736 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.935 -4.738 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.534 -4.003 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.744 -5.770 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.782 -5.703 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.660 -6.770 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.730 -5.670 3.311 1.00 0.00 H new ATOM 572 N CYS A 35 -5.983 -3.791 6.388 1.00 0.00 N ATOM 573 CA CYS A 35 -5.011 -3.973 7.453 1.00 0.00 C ATOM 574 C CYS A 35 -5.348 -3.123 8.674 1.00 0.00 C ATOM 575 O CYS A 35 -4.466 -2.527 9.292 1.00 0.00 O ATOM 576 CB CYS A 35 -3.614 -3.632 6.948 1.00 0.00 C ATOM 577 SG CYS A 35 -2.974 -4.785 5.712 1.00 0.00 S ATOM 0 H CYS A 35 -5.955 -2.875 5.940 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.042 -5.019 7.757 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.629 -2.629 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.929 -3.607 7.795 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.766 -5.812 5.625 1.00 0.00 H new ATOM 583 N LYS A 36 -6.625 -3.084 9.021 1.00 0.00 N ATOM 584 CA LYS A 36 -7.080 -2.320 10.179 1.00 0.00 C ATOM 585 C LYS A 36 -7.147 -3.207 11.418 1.00 0.00 C ATOM 586 O LYS A 36 -6.994 -4.425 11.329 1.00 0.00 O ATOM 587 CB LYS A 36 -8.452 -1.699 9.909 1.00 0.00 C ATOM 588 CG LYS A 36 -8.534 -0.227 10.281 1.00 0.00 C ATOM 589 CD LYS A 36 -9.974 0.256 10.324 1.00 0.00 C ATOM 590 CE LYS A 36 -10.625 0.183 8.954 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.686 1.215 8.788 1.00 0.00 N ATOM 0 H LYS A 36 -7.367 -3.572 8.519 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.361 -1.521 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.692 -1.813 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.208 -2.250 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.067 -0.070 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.972 0.364 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.541 -0.350 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.004 1.283 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.865 0.316 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.056 -0.808 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.106 1.132 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.424 1.073 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.270 2.162 8.901 1.00 0.00 H new ATOM 679 N CYS A 43 -4.311 6.505 11.463 1.00 0.00 N ATOM 680 CA CYS A 43 -3.251 5.583 11.068 1.00 0.00 C ATOM 681 C CYS A 43 -2.679 5.959 9.705 1.00 0.00 C ATOM 682 O CYS A 43 -3.322 6.656 8.920 1.00 0.00 O ATOM 683 CB CYS A 43 -3.784 4.149 11.033 1.00 0.00 C ATOM 684 SG CYS A 43 -4.412 3.556 12.620 1.00 0.00 S ATOM 0 HA CYS A 43 -2.452 5.650 11.806 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.582 4.087 10.293 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.987 3.485 10.699 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.842 2.336 12.488 1.00 0.00 H new ATOM 690 N HIS A 44 -1.465 5.489 9.431 1.00 0.00 N ATOM 691 CA HIS A 44 -0.800 5.771 8.163 1.00 0.00 C ATOM 692 C HIS A 44 -0.225 4.490 7.560 1.00 0.00 C ATOM 693 O HIS A 44 0.011 3.511 8.273 1.00 0.00 O ATOM 694 CB HIS A 44 0.298 6.829 8.362 1.00 0.00 C ATOM 695 CG HIS A 44 1.694 6.279 8.396 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.592 6.078 7.401 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.313 5.862 9.556 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.723 5.550 7.974 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.529 5.430 9.274 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.921 4.910 10.071 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.535 6.169 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.229 7.561 7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.108 7.361 9.294 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.454 6.281 6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.872 5.885 10.542 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.625 5.277 7.446 1.00 0.00 H new ATOM 708 N LEU A 45 0.001 4.498 6.250 1.00 0.00 N ATOM 709 CA LEU A 45 0.550 3.335 5.570 1.00 0.00 C ATOM 710 C LEU A 45 2.014 3.587 5.224 1.00 0.00 C ATOM 711 O LEU A 45 2.400 4.717 4.951 1.00 0.00 O ATOM 712 CB LEU A 45 -0.282 3.023 4.320 1.00 0.00 C ATOM 713 CG LEU A 45 0.385 2.120 3.282 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.525 0.711 3.824 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.407 2.120 1.979 1.00 0.00 C ATOM 0 H LEU A 45 -0.187 5.295 5.642 1.00 0.00 H new ATOM 0 HA LEU A 45 0.504 2.466 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.214 2.554 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.546 3.965 3.838 1.00 0.00 H new ATOM 0 HG LEU A 45 1.381 2.511 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.001 0.079 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.136 0.727 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.462 0.313 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.085 1.471 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.417 1.754 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.456 3.134 1.583 1.00 0.00 H new ATOM 727 N ALA A 46 2.834 2.542 5.265 1.00 0.00 N ATOM 728 CA ALA A 46 4.262 2.681 4.981 1.00 0.00 C ATOM 729 C ALA A 46 4.664 1.999 3.676 1.00 0.00 C ATOM 730 O ALA A 46 4.022 1.039 3.240 1.00 0.00 O ATOM 731 CB ALA A 46 5.081 2.123 6.136 1.00 0.00 C ATOM 0 H ALA A 46 2.538 1.592 5.491 1.00 0.00 H new ATOM 0 HA ALA A 46 4.467 3.745 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.143 2.231 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.843 2.670 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.845 1.068 6.273 1.00 0.00 H new ATOM 737 N GLU A 47 5.741 2.500 3.062 1.00 0.00 N ATOM 738 CA GLU A 47 6.246 1.930 1.816 1.00 0.00 C ATOM 739 C GLU A 47 7.740 1.615 1.929 1.00 0.00 C ATOM 740 O GLU A 47 8.568 2.520 1.984 1.00 0.00 O ATOM 741 CB GLU A 47 6.023 2.913 0.670 1.00 0.00 C ATOM 742 CG GLU A 47 6.371 4.351 1.017 1.00 0.00 C ATOM 743 CD GLU A 47 6.177 5.297 -0.152 1.00 0.00 C ATOM 744 OE1 GLU A 47 7.149 5.987 -0.524 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.054 5.347 -0.695 1.00 0.00 O ATOM 0 H GLU A 47 6.276 3.296 3.409 1.00 0.00 H new ATOM 0 HA GLU A 47 5.705 1.004 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.622 2.601 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.978 2.866 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.752 4.679 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.408 4.400 1.351 1.00 0.00 H new ATOM 752 N VAL A 48 8.074 0.325 1.934 1.00 0.00 N ATOM 753 CA VAL A 48 9.464 -0.118 2.007 1.00 0.00 C ATOM 754 C VAL A 48 9.811 -1.032 0.843 1.00 0.00 C ATOM 755 O VAL A 48 9.198 -2.093 0.684 1.00 0.00 O ATOM 756 CB VAL A 48 9.788 -0.842 3.328 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.296 -0.994 3.492 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.181 -0.099 4.511 1.00 0.00 C ATOM 0 H VAL A 48 7.395 -0.435 1.888 1.00 0.00 H new ATOM 0 HA VAL A 48 10.069 0.787 1.958 1.00 0.00 H new ATOM 0 HB VAL A 48 9.346 -1.838 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.510 -1.507 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.696 -1.575 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.762 -0.009 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.421 -0.627 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.588 0.911 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.099 -0.049 4.393 1.00 0.00 H new ATOM 768 N TRP A 49 10.785 -0.647 0.033 1.00 0.00 N ATOM 769 CA TRP A 49 11.178 -1.488 -1.084 1.00 0.00 C ATOM 770 C TRP A 49 12.676 -1.400 -1.377 1.00 0.00 C ATOM 771 O TRP A 49 13.201 -0.323 -1.658 1.00 0.00 O ATOM 772 CB TRP A 49 10.329 -1.162 -2.310 1.00 0.00 C ATOM 773 CG TRP A 49 11.094 -0.803 -3.536 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.700 -1.643 -4.420 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.312 0.509 -4.008 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.290 -0.915 -5.424 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.066 0.420 -5.187 1.00 0.00 C ATOM 778 CE3 TRP A 49 10.932 1.749 -3.530 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.454 1.550 -5.903 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.312 2.877 -4.232 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.069 2.771 -5.410 1.00 0.00 C ATOM 0 H TRP A 49 11.308 0.224 0.125 1.00 0.00 H new ATOM 0 HA TRP A 49 10.991 -2.526 -0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.698 -2.022 -2.534 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.664 -0.335 -2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.714 -2.720 -4.343 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.808 -1.301 -6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.349 1.835 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.035 1.468 -6.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.023 3.853 -3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.354 3.669 -5.939 1.00 0.00 H new ATOM 792 N CYS A 50 13.350 -2.547 -1.324 1.00 0.00 N ATOM 793 CA CYS A 50 14.785 -2.622 -1.597 1.00 0.00 C ATOM 794 C CYS A 50 15.552 -1.474 -0.940 1.00 0.00 C ATOM 795 O CYS A 50 16.248 -0.714 -1.615 1.00 0.00 O ATOM 796 CB CYS A 50 15.032 -2.618 -3.106 1.00 0.00 C ATOM 797 SG CYS A 50 16.674 -3.203 -3.587 1.00 0.00 S ATOM 0 H CYS A 50 12.922 -3.444 -1.093 1.00 0.00 H new ATOM 0 HA CYS A 50 15.153 -3.554 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.280 -3.243 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.894 -1.605 -3.483 1.00 0.00 H new ATOM 0 HG CYS A 50 16.786 -3.164 -4.882 1.00 0.00 H new ATOM 803 N GLY A 51 15.427 -1.356 0.377 1.00 0.00 N ATOM 804 CA GLY A 51 16.122 -0.303 1.094 1.00 0.00 C ATOM 805 C GLY A 51 15.434 1.047 0.984 1.00 0.00 C ATOM 806 O GLY A 51 15.904 2.033 1.553 1.00 0.00 O ATOM 0 H GLY A 51 14.858 -1.969 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.202 -0.579 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.138 -0.219 0.709 1.00 0.00 H new ATOM 810 N SER A 52 14.318 1.096 0.263 1.00 0.00 N ATOM 811 CA SER A 52 13.574 2.338 0.103 1.00 0.00 C ATOM 812 C SER A 52 12.356 2.337 1.012 1.00 0.00 C ATOM 813 O SER A 52 11.311 1.798 0.657 1.00 0.00 O ATOM 814 CB SER A 52 13.136 2.516 -1.355 1.00 0.00 C ATOM 815 OG SER A 52 13.374 3.840 -1.802 1.00 0.00 O ATOM 0 H SER A 52 13.911 0.293 -0.217 1.00 0.00 H new ATOM 0 HA SER A 52 14.224 3.169 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.676 1.812 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.076 2.282 -1.451 1.00 0.00 H new ATOM 0 HG SER A 52 12.874 4.001 -2.630 1.00 0.00 H new ATOM 821 N GLU A 53 12.499 2.937 2.187 1.00 0.00 N ATOM 822 CA GLU A 53 11.407 2.992 3.148 1.00 0.00 C ATOM 823 C GLU A 53 10.974 4.431 3.412 1.00 0.00 C ATOM 824 O GLU A 53 11.734 5.227 3.964 1.00 0.00 O ATOM 825 CB GLU A 53 11.826 2.329 4.462 1.00 0.00 C ATOM 826 CG GLU A 53 13.127 2.874 5.029 1.00 0.00 C ATOM 827 CD GLU A 53 13.053 3.120 6.524 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.331 2.370 7.214 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.715 4.063 7.004 1.00 0.00 O ATOM 0 H GLU A 53 13.358 3.391 2.496 1.00 0.00 H new ATOM 0 HA GLU A 53 10.561 2.452 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.033 2.465 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.930 1.256 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.933 2.171 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.377 3.806 4.523 1.00 0.00 H new ATOM 836 N ARG A 54 9.747 4.760 3.020 1.00 0.00 N ATOM 837 CA ARG A 54 9.214 6.102 3.218 1.00 0.00 C ATOM 838 C ARG A 54 7.789 6.042 3.769 1.00 0.00 C ATOM 839 O ARG A 54 7.070 5.072 3.538 1.00 0.00 O ATOM 840 CB ARG A 54 9.229 6.885 1.902 1.00 0.00 C ATOM 841 CG ARG A 54 10.565 6.841 1.177 1.00 0.00 C ATOM 842 CD ARG A 54 11.241 8.203 1.161 1.00 0.00 C ATOM 843 NE ARG A 54 12.679 8.101 1.400 1.00 0.00 N ATOM 844 CZ ARG A 54 13.555 9.051 1.079 1.00 0.00 C ATOM 845 NH1 ARG A 54 13.147 10.176 0.506 1.00 0.00 N ATOM 846 NH2 ARG A 54 14.846 8.875 1.333 1.00 0.00 N ATOM 0 H ARG A 54 9.103 4.114 2.563 1.00 0.00 H new ATOM 0 HA ARG A 54 9.848 6.614 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.456 6.487 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.971 7.924 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.219 6.116 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.413 6.498 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.066 8.684 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.791 8.841 1.922 1.00 0.00 H new ATOM 0 HE ARG A 54 13.033 7.251 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.156 10.318 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.824 10.899 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.166 8.013 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.518 9.602 1.087 1.00 0.00 H new ATOM 860 N PRO A 55 7.359 7.080 4.508 1.00 0.00 N ATOM 861 CA PRO A 55 6.014 7.136 5.086 1.00 0.00 C ATOM 862 C PRO A 55 4.956 7.456 4.033 1.00 0.00 C ATOM 863 O PRO A 55 5.076 8.440 3.303 1.00 0.00 O ATOM 864 CB PRO A 55 6.099 8.273 6.120 1.00 0.00 C ATOM 865 CG PRO A 55 7.534 8.697 6.155 1.00 0.00 C ATOM 866 CD PRO A 55 8.134 8.278 4.844 1.00 0.00 C ATOM 0 HA PRO A 55 5.720 6.180 5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.454 9.105 5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.769 7.932 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.617 9.775 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.057 8.228 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.032 9.053 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.198 8.060 4.936 1.00 0.00 H new ATOM 874 N VAL A 56 3.921 6.624 3.958 1.00 0.00 N ATOM 875 CA VAL A 56 2.850 6.830 2.991 1.00 0.00 C ATOM 876 C VAL A 56 1.579 7.342 3.668 1.00 0.00 C ATOM 877 O VAL A 56 1.106 6.780 4.666 1.00 0.00 O ATOM 878 CB VAL A 56 2.509 5.549 2.170 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.432 4.374 2.505 1.00 0.00 C ATOM 880 CG2 VAL A 56 1.041 5.161 2.358 1.00 0.00 C ATOM 0 H VAL A 56 3.802 5.804 4.553 1.00 0.00 H new ATOM 0 HA VAL A 56 3.228 7.581 2.297 1.00 0.00 H new ATOM 0 HB VAL A 56 2.676 5.790 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.151 3.508 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.464 4.648 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.339 4.128 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.824 4.265 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.849 4.965 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.403 5.977 2.019 1.00 0.00 H new ATOM 890 N ALA A 57 1.017 8.395 3.090 1.00 0.00 N ATOM 891 CA ALA A 57 -0.210 8.987 3.596 1.00 0.00 C ATOM 892 C ALA A 57 -1.408 8.160 3.161 1.00 0.00 C ATOM 893 O ALA A 57 -1.430 7.620 2.054 1.00 0.00 O ATOM 894 CB ALA A 57 -0.343 10.407 3.086 1.00 0.00 C ATOM 0 H ALA A 57 1.396 8.858 2.264 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.174 9.003 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.265 10.846 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.508 10.997 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.369 10.401 1.996 1.00 0.00 H new ATOM 900 N ASP A 58 -2.400 8.046 4.033 1.00 0.00 N ATOM 901 CA ASP A 58 -3.578 7.260 3.711 1.00 0.00 C ATOM 902 C ASP A 58 -4.358 7.849 2.543 1.00 0.00 C ATOM 903 O ASP A 58 -5.245 7.198 1.997 1.00 0.00 O ATOM 904 CB ASP A 58 -4.504 7.118 4.917 1.00 0.00 C ATOM 905 CG ASP A 58 -3.753 6.792 6.193 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.930 5.673 6.717 1.00 0.00 O ATOM 907 OD2 ASP A 58 -2.988 7.658 6.667 1.00 0.00 O ATOM 0 H ASP A 58 -2.412 8.482 4.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.215 6.274 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.061 8.045 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.235 6.334 4.719 1.00 0.00 H new ATOM 912 N ASN A 59 -4.045 9.080 2.165 1.00 0.00 N ATOM 913 CA ASN A 59 -4.753 9.720 1.067 1.00 0.00 C ATOM 914 C ASN A 59 -4.020 9.551 -0.264 1.00 0.00 C ATOM 915 O ASN A 59 -4.356 10.211 -1.248 1.00 0.00 O ATOM 916 CB ASN A 59 -4.964 11.206 1.366 1.00 0.00 C ATOM 917 CG ASN A 59 -6.402 11.523 1.728 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.098 10.707 2.331 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.856 12.715 1.358 1.00 0.00 N ATOM 0 H ASN A 59 -3.316 9.649 2.596 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.721 9.228 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.311 11.505 2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.673 11.794 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.816 12.984 1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.244 13.361 0.859 1.00 0.00 H new ATOM 926 N GLU A 60 -3.024 8.668 -0.301 1.00 0.00 N ATOM 927 CA GLU A 60 -2.267 8.432 -1.524 1.00 0.00 C ATOM 928 C GLU A 60 -2.903 7.312 -2.350 1.00 0.00 C ATOM 929 O GLU A 60 -3.073 6.192 -1.866 1.00 0.00 O ATOM 930 CB GLU A 60 -0.817 8.086 -1.189 1.00 0.00 C ATOM 931 CG GLU A 60 -0.221 8.936 -0.076 1.00 0.00 C ATOM 932 CD GLU A 60 0.876 9.858 -0.571 1.00 0.00 C ATOM 933 OE1 GLU A 60 0.691 10.482 -1.636 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.920 9.958 0.109 1.00 0.00 O ATOM 0 H GLU A 60 -2.725 8.108 0.498 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.283 9.345 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.762 7.036 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.209 8.202 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.010 9.531 0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.180 8.283 0.699 1.00 0.00 H new ATOM 941 N ARG A 61 -3.269 7.628 -3.592 1.00 0.00 N ATOM 942 CA ARG A 61 -3.907 6.652 -4.480 1.00 0.00 C ATOM 943 C ARG A 61 -2.917 5.593 -4.957 1.00 0.00 C ATOM 944 O ARG A 61 -1.816 5.915 -5.410 1.00 0.00 O ATOM 945 CB ARG A 61 -4.561 7.342 -5.685 1.00 0.00 C ATOM 946 CG ARG A 61 -3.787 8.539 -6.219 1.00 0.00 C ATOM 947 CD ARG A 61 -4.555 9.836 -6.018 1.00 0.00 C ATOM 948 NE ARG A 61 -3.795 10.999 -6.473 1.00 0.00 N ATOM 949 CZ ARG A 61 -2.915 11.655 -5.720 1.00 0.00 C ATOM 950 NH1 ARG A 61 -2.678 11.271 -4.472 1.00 0.00 N ATOM 951 NH2 ARG A 61 -2.269 12.702 -6.216 1.00 0.00 N ATOM 0 H ARG A 61 -3.136 8.550 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.684 6.154 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.678 6.613 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.562 7.668 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.823 8.604 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.583 8.397 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.500 9.786 -6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.799 9.953 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.949 11.328 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.172 10.468 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.002 11.779 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.447 13.004 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.595 13.205 -5.639 1.00 0.00 H new ATOM 965 N MET A 62 -3.343 4.327 -4.857 1.00 0.00 N ATOM 966 CA MET A 62 -2.536 3.169 -5.265 1.00 0.00 C ATOM 967 C MET A 62 -1.468 3.559 -6.276 1.00 0.00 C ATOM 968 O MET A 62 -0.309 3.779 -5.922 1.00 0.00 O ATOM 969 CB MET A 62 -3.442 2.083 -5.848 1.00 0.00 C ATOM 970 CG MET A 62 -3.806 0.998 -4.847 1.00 0.00 C ATOM 971 SD MET A 62 -4.599 1.653 -3.366 1.00 0.00 S ATOM 972 CE MET A 62 -3.177 1.971 -2.325 1.00 0.00 C ATOM 0 H MET A 62 -4.261 4.076 -4.489 1.00 0.00 H new ATOM 0 HA MET A 62 -2.030 2.783 -4.380 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.356 2.545 -6.221 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.944 1.626 -6.703 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.473 0.279 -5.323 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.905 0.456 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.283 1.426 -1.387 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.272 1.642 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.109 3.039 -2.118 1.00 0.00 H new ATOM 982 N PHE A 63 -1.876 3.656 -7.532 1.00 0.00 N ATOM 983 CA PHE A 63 -0.978 4.026 -8.619 1.00 0.00 C ATOM 984 C PHE A 63 -0.019 5.140 -8.232 1.00 0.00 C ATOM 985 O PHE A 63 1.189 5.014 -8.406 1.00 0.00 O ATOM 986 CB PHE A 63 -1.792 4.501 -9.814 1.00 0.00 C ATOM 987 CG PHE A 63 -2.246 3.396 -10.698 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.379 2.672 -10.387 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.539 3.086 -11.839 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.805 1.648 -11.204 1.00 0.00 C ATOM 991 CE2 PHE A 63 -1.955 2.061 -12.667 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.091 1.340 -12.349 1.00 0.00 C ATOM 0 H PHE A 63 -2.836 3.481 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.394 3.138 -8.861 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.663 5.050 -9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.192 5.200 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.937 2.911 -9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.652 3.649 -12.089 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.693 1.087 -10.952 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.395 1.824 -13.559 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.421 0.538 -12.993 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.559 6.240 -7.723 1.00 0.00 N ATOM 1003 CA ASP A 64 0.270 7.375 -7.352 1.00 0.00 C ATOM 1004 C ASP A 64 1.439 6.926 -6.495 1.00 0.00 C ATOM 1005 O ASP A 64 2.586 7.308 -6.730 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.551 8.429 -6.614 1.00 0.00 C ATOM 1007 CG ASP A 64 0.114 9.792 -6.618 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.531 10.251 -5.533 1.00 0.00 O ATOM 1009 OD2 ASP A 64 0.219 10.399 -7.704 1.00 0.00 O ATOM 0 H ASP A 64 -1.558 6.368 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 64 0.660 7.821 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.535 8.507 -7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.707 8.108 -5.584 1.00 0.00 H new ATOM 1014 N VAL A 65 1.138 6.086 -5.520 1.00 0.00 N ATOM 1015 CA VAL A 65 2.157 5.546 -4.640 1.00 0.00 C ATOM 1016 C VAL A 65 2.891 4.411 -5.335 1.00 0.00 C ATOM 1017 O VAL A 65 4.044 4.122 -5.033 1.00 0.00 O ATOM 1018 CB VAL A 65 1.542 5.005 -3.335 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.630 4.631 -2.341 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.584 6.019 -2.735 1.00 0.00 C ATOM 0 H VAL A 65 0.192 5.763 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 65 2.847 6.355 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 65 0.977 4.103 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.173 4.252 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.269 3.861 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.229 5.512 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.160 5.618 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.121 6.942 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.218 6.226 -3.444 1.00 0.00 H new ATOM 1030 N LEU A 66 2.191 3.767 -6.262 1.00 0.00 N ATOM 1031 CA LEU A 66 2.730 2.641 -7.005 1.00 0.00 C ATOM 1032 C LEU A 66 3.618 3.087 -8.169 1.00 0.00 C ATOM 1033 O LEU A 66 4.196 2.256 -8.869 1.00 0.00 O ATOM 1034 CB LEU A 66 1.563 1.782 -7.499 1.00 0.00 C ATOM 1035 CG LEU A 66 1.229 0.578 -6.611 1.00 0.00 C ATOM 1036 CD1 LEU A 66 0.139 -0.273 -7.241 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.473 -0.256 -6.340 1.00 0.00 C ATOM 0 H LEU A 66 1.235 4.013 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 66 3.370 2.056 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.677 2.411 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.794 1.423 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 66 0.858 0.955 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.081 -1.121 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.762 0.327 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.476 -0.636 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.212 -1.105 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.881 -0.618 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.219 0.357 -5.834 1.00 0.00 H new ATOM 1049 N GLN A 67 3.728 4.396 -8.368 1.00 0.00 N ATOM 1050 CA GLN A 67 4.551 4.941 -9.441 1.00 0.00 C ATOM 1051 C GLN A 67 5.830 5.566 -8.885 1.00 0.00 C ATOM 1052 O GLN A 67 6.801 5.768 -9.615 1.00 0.00 O ATOM 1053 CB GLN A 67 3.762 5.982 -10.238 1.00 0.00 C ATOM 1054 CG GLN A 67 3.185 5.443 -11.536 1.00 0.00 C ATOM 1055 CD GLN A 67 2.141 6.364 -12.137 1.00 0.00 C ATOM 1056 OE1 GLN A 67 2.465 7.430 -12.661 1.00 0.00 O ATOM 1057 NE2 GLN A 67 0.881 5.955 -12.066 1.00 0.00 N ATOM 0 H GLN A 67 3.257 5.100 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 67 4.829 4.122 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.949 6.362 -9.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.414 6.826 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.991 5.296 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.739 4.465 -11.353 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.658 5.064 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.135 6.532 -12.455 1.00 0.00 H new ATOM 1066 N ARG A 68 5.826 5.873 -7.589 1.00 0.00 N ATOM 1067 CA ARG A 68 6.985 6.476 -6.941 1.00 0.00 C ATOM 1068 C ARG A 68 8.093 5.448 -6.719 1.00 0.00 C ATOM 1069 O ARG A 68 9.264 5.806 -6.601 1.00 0.00 O ATOM 1070 CB ARG A 68 6.580 7.100 -5.604 1.00 0.00 C ATOM 1071 CG ARG A 68 6.099 6.084 -4.579 1.00 0.00 C ATOM 1072 CD ARG A 68 6.750 6.305 -3.223 1.00 0.00 C ATOM 1073 NE ARG A 68 6.091 7.366 -2.463 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.548 8.614 -2.366 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.668 8.975 -2.982 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.880 9.508 -1.650 1.00 0.00 N ATOM 0 H ARG A 68 5.032 5.713 -6.969 1.00 0.00 H new ATOM 0 HA ARG A 68 7.368 7.255 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.431 7.643 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.790 7.830 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.016 6.153 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.323 5.077 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.719 5.378 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.801 6.559 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 68 5.225 7.136 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.187 8.294 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.009 9.933 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.018 9.240 -1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.228 10.464 -1.574 1.00 0.00 H new ATOM 1090 N PHE A 69 7.720 4.171 -6.665 1.00 0.00 N ATOM 1091 CA PHE A 69 8.692 3.102 -6.458 1.00 0.00 C ATOM 1092 C PHE A 69 9.509 2.854 -7.725 1.00 0.00 C ATOM 1093 O PHE A 69 9.509 1.749 -8.268 1.00 0.00 O ATOM 1094 CB PHE A 69 7.989 1.808 -6.039 1.00 0.00 C ATOM 1095 CG PHE A 69 7.233 1.905 -4.744 1.00 0.00 C ATOM 1096 CD1 PHE A 69 5.886 2.213 -4.736 1.00 0.00 C ATOM 1097 CD2 PHE A 69 7.868 1.669 -3.536 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.186 2.287 -3.548 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.176 1.741 -2.342 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.829 2.052 -2.352 1.00 0.00 C ATOM 0 H PHE A 69 6.756 3.853 -6.761 1.00 0.00 H new ATOM 0 HA PHE A 69 9.366 3.416 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.298 1.512 -6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.733 1.016 -5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.375 2.398 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.920 1.425 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.134 2.529 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.684 1.556 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.281 2.111 -1.423 1.00 0.00 H new ATOM 1110 N GLY A 70 10.203 3.887 -8.193 1.00 0.00 N ATOM 1111 CA GLY A 70 11.012 3.757 -9.394 1.00 0.00 C ATOM 1112 C GLY A 70 10.253 3.123 -10.546 1.00 0.00 C ATOM 1113 O GLY A 70 9.161 3.568 -10.898 1.00 0.00 O ATOM 0 H GLY A 70 10.220 4.812 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.367 4.742 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.893 3.156 -9.170 1.00 0.00 H new ATOM 1117 N SER A 71 10.834 2.082 -11.131 1.00 0.00 N ATOM 1118 CA SER A 71 10.208 1.384 -12.248 1.00 0.00 C ATOM 1119 C SER A 71 9.900 -0.063 -11.878 1.00 0.00 C ATOM 1120 O SER A 71 9.934 -0.953 -12.729 1.00 0.00 O ATOM 1121 CB SER A 71 11.118 1.426 -13.477 1.00 0.00 C ATOM 1122 OG SER A 71 10.589 0.640 -14.531 1.00 0.00 O ATOM 0 H SER A 71 11.738 1.702 -10.850 1.00 0.00 H new ATOM 0 HA SER A 71 9.271 1.889 -12.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.235 2.457 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.111 1.062 -13.211 1.00 0.00 H new ATOM 0 HG SER A 71 10.414 -0.268 -14.206 1.00 0.00 H new ATOM 1128 N GLN A 72 9.599 -0.290 -10.604 1.00 0.00 N ATOM 1129 CA GLN A 72 9.285 -1.628 -10.119 1.00 0.00 C ATOM 1130 C GLN A 72 8.113 -1.589 -9.144 1.00 0.00 C ATOM 1131 O GLN A 72 8.303 -1.517 -7.929 1.00 0.00 O ATOM 1132 CB GLN A 72 10.509 -2.247 -9.443 1.00 0.00 C ATOM 1133 CG GLN A 72 11.753 -2.242 -10.317 1.00 0.00 C ATOM 1134 CD GLN A 72 12.977 -2.763 -9.589 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.363 -3.921 -9.750 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.595 -1.907 -8.783 1.00 0.00 N ATOM 0 H GLN A 72 9.566 0.436 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 72 9.003 -2.243 -10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 72 10.720 -1.703 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.277 -3.274 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.574 -2.852 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.945 -1.227 -10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.240 -0.956 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.425 -2.200 -8.267 1.00 0.00 H new ATOM 1145 N ARG A 73 6.900 -1.632 -9.685 1.00 0.00 N ATOM 1146 CA ARG A 73 5.693 -1.597 -8.867 1.00 0.00 C ATOM 1147 C ARG A 73 5.530 -2.885 -8.063 1.00 0.00 C ATOM 1148 O ARG A 73 4.919 -2.885 -6.994 1.00 0.00 O ATOM 1149 CB ARG A 73 4.463 -1.375 -9.750 1.00 0.00 C ATOM 1150 CG ARG A 73 4.383 -2.325 -10.935 1.00 0.00 C ATOM 1151 CD ARG A 73 4.685 -1.616 -12.247 1.00 0.00 C ATOM 1152 NE ARG A 73 3.929 -0.373 -12.386 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.252 0.601 -13.234 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.312 0.479 -14.023 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.512 1.700 -13.295 1.00 0.00 N ATOM 0 H ARG A 73 6.727 -1.691 -10.688 1.00 0.00 H new ATOM 0 HA ARG A 73 5.788 -0.768 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.565 -1.489 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.471 -0.349 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.088 -3.144 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.387 -2.766 -10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.752 -1.400 -12.305 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.449 -2.279 -13.080 1.00 0.00 H new ATOM 0 HE ARG A 73 3.105 -0.244 -11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.884 -0.364 -13.982 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.555 1.229 -14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.695 1.799 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.760 2.446 -13.945 1.00 0.00 H new ATOM 1169 N ASN A 74 6.079 -3.981 -8.581 1.00 0.00 N ATOM 1170 CA ASN A 74 5.989 -5.272 -7.907 1.00 0.00 C ATOM 1171 C ASN A 74 7.251 -5.552 -7.093 1.00 0.00 C ATOM 1172 O ASN A 74 7.673 -6.701 -6.955 1.00 0.00 O ATOM 1173 CB ASN A 74 5.765 -6.388 -8.931 1.00 0.00 C ATOM 1174 CG ASN A 74 4.328 -6.873 -8.952 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.806 -7.345 -7.942 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.681 -6.757 -10.106 1.00 0.00 N ATOM 0 H ASN A 74 6.590 -4.000 -9.464 1.00 0.00 H new ATOM 0 HA ASN A 74 5.141 -5.241 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.039 -6.028 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.425 -7.225 -8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.712 -7.065 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.154 -6.360 -10.918 1.00 0.00 H new ATOM 1183 N GLU A 75 7.849 -4.493 -6.557 1.00 0.00 N ATOM 1184 CA GLU A 75 9.064 -4.615 -5.756 1.00 0.00 C ATOM 1185 C GLU A 75 8.931 -3.878 -4.426 1.00 0.00 C ATOM 1186 O GLU A 75 9.893 -3.789 -3.663 1.00 0.00 O ATOM 1187 CB GLU A 75 10.253 -4.039 -6.524 1.00 0.00 C ATOM 1188 CG GLU A 75 11.601 -4.521 -6.014 1.00 0.00 C ATOM 1189 CD GLU A 75 12.062 -5.790 -6.703 1.00 0.00 C ATOM 1190 OE1 GLU A 75 13.244 -5.852 -7.102 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.244 -6.722 -6.841 1.00 0.00 O ATOM 0 H GLU A 75 7.511 -3.536 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 75 9.222 -5.674 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.157 -4.304 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.220 -2.951 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.344 -3.738 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.538 -4.697 -4.940 1.00 0.00 H new ATOM 1198 N VAL A 76 7.747 -3.334 -4.161 1.00 0.00 N ATOM 1199 CA VAL A 76 7.506 -2.582 -2.935 1.00 0.00 C ATOM 1200 C VAL A 76 6.642 -3.354 -1.950 1.00 0.00 C ATOM 1201 O VAL A 76 5.880 -4.242 -2.329 1.00 0.00 O ATOM 1202 CB VAL A 76 6.828 -1.222 -3.229 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.267 -1.193 -4.644 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.740 -0.892 -2.199 1.00 0.00 C ATOM 0 H VAL A 76 6.939 -3.400 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 76 8.486 -2.413 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 76 7.594 -0.451 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.795 -0.228 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.076 -1.344 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.528 -1.986 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.289 0.070 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.974 -1.667 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.183 -0.845 -1.204 1.00 0.00 H new ATOM 1214 N ARG A 77 6.738 -2.962 -0.688 1.00 0.00 N ATOM 1215 CA ARG A 77 5.939 -3.560 0.362 1.00 0.00 C ATOM 1216 C ARG A 77 5.110 -2.476 1.039 1.00 0.00 C ATOM 1217 O ARG A 77 5.625 -1.409 1.356 1.00 0.00 O ATOM 1218 CB ARG A 77 6.834 -4.262 1.385 1.00 0.00 C ATOM 1219 CG ARG A 77 7.494 -5.525 0.851 1.00 0.00 C ATOM 1220 CD ARG A 77 8.987 -5.332 0.631 1.00 0.00 C ATOM 1221 NE ARG A 77 9.363 -5.538 -0.766 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.303 -6.715 -1.384 1.00 0.00 C ATOM 1223 NH1 ARG A 77 8.882 -7.793 -0.735 1.00 0.00 N ATOM 1224 NH2 ARG A 77 9.664 -6.816 -2.657 1.00 0.00 N ATOM 0 H ARG A 77 7.368 -2.226 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 77 5.275 -4.306 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.608 -3.569 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.239 -4.516 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.333 -6.344 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.022 -5.812 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.272 -4.326 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.540 -6.028 1.262 1.00 0.00 H new ATOM 0 HE ARG A 77 9.691 -4.732 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.602 -7.722 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.838 -8.692 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.988 -5.991 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.618 -7.718 -3.130 1.00 0.00 H new ATOM 1238 N PHE A 78 3.829 -2.746 1.253 1.00 0.00 N ATOM 1239 CA PHE A 78 2.953 -1.793 1.905 1.00 0.00 C ATOM 1240 C PHE A 78 2.606 -2.337 3.278 1.00 0.00 C ATOM 1241 O PHE A 78 2.447 -3.541 3.436 1.00 0.00 O ATOM 1242 CB PHE A 78 1.720 -1.541 1.047 1.00 0.00 C ATOM 1243 CG PHE A 78 2.071 -1.079 -0.336 1.00 0.00 C ATOM 1244 CD1 PHE A 78 1.993 -1.947 -1.412 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.485 0.223 -0.558 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.322 -1.525 -2.685 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.814 0.653 -1.830 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.732 -0.223 -2.893 1.00 0.00 C ATOM 0 H PHE A 78 3.377 -3.619 0.983 1.00 0.00 H new ATOM 0 HA PHE A 78 3.445 -0.828 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.132 -2.456 0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.092 -0.792 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.671 -2.966 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.552 0.911 0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.259 -2.212 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.134 1.672 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.989 0.110 -3.888 1.00 0.00 H new ATOM 1258 N PHE A 79 2.576 -1.474 4.282 1.00 0.00 N ATOM 1259 CA PHE A 79 2.333 -1.930 5.653 1.00 0.00 C ATOM 1260 C PHE A 79 1.467 -0.955 6.439 1.00 0.00 C ATOM 1261 O PHE A 79 1.602 0.261 6.308 1.00 0.00 O ATOM 1262 CB PHE A 79 3.685 -2.143 6.354 1.00 0.00 C ATOM 1263 CG PHE A 79 4.839 -2.093 5.388 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.086 -0.935 4.673 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.632 -3.203 5.154 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.100 -0.874 3.744 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.659 -3.150 4.232 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.893 -1.986 3.526 1.00 0.00 C ATOM 0 H PHE A 79 2.714 -0.468 4.183 1.00 0.00 H new ATOM 0 HA PHE A 79 1.782 -2.870 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.820 -1.379 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.681 -3.107 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.472 -0.063 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.446 -4.118 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.275 0.036 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.279 -4.018 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.695 -1.944 2.804 1.00 0.00 H new ATOM 1278 N LEU A 80 0.574 -1.501 7.260 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.318 -0.674 8.065 1.00 0.00 C ATOM 1280 C LEU A 80 0.273 -0.407 9.445 1.00 0.00 C ATOM 1281 O LEU A 80 0.556 -1.336 10.202 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.685 -1.350 8.196 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.891 -0.456 7.892 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.173 0.475 9.060 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.662 0.339 6.612 1.00 0.00 C ATOM 0 H LEU A 80 0.450 -2.506 7.385 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.440 0.284 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.713 -2.209 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.786 -1.735 9.211 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.763 -1.094 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.033 1.102 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.386 -0.114 9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.303 1.106 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.530 0.968 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.778 0.967 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.514 -0.348 5.779 1.00 0.00 H new ATOM 1297 N ARG A 81 0.457 0.872 9.765 1.00 0.00 N ATOM 1298 CA ARG A 81 1.014 1.266 11.054 1.00 0.00 C ATOM 1299 C ARG A 81 -0.026 1.996 11.898 1.00 0.00 C ATOM 1300 O ARG A 81 -0.599 2.996 11.465 1.00 0.00 O ATOM 1301 CB ARG A 81 2.241 2.158 10.851 1.00 0.00 C ATOM 1302 CG ARG A 81 3.453 1.411 10.318 1.00 0.00 C ATOM 1303 CD ARG A 81 4.582 2.365 9.962 1.00 0.00 C ATOM 1304 NE ARG A 81 5.842 1.663 9.734 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.882 2.195 9.096 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.816 3.434 8.624 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.991 1.487 8.930 1.00 0.00 N ATOM 0 H ARG A 81 0.228 1.652 9.149 1.00 0.00 H new ATOM 0 HA ARG A 81 1.314 0.362 11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.986 2.961 10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.501 2.626 11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.800 0.698 11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.169 0.836 9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.313 2.927 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.711 3.089 10.766 1.00 0.00 H new ATOM 0 HE ARG A 81 5.930 0.709 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.966 3.983 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.616 3.837 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.047 0.535 9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.788 1.895 8.441 1.00 0.00 H new