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 143:sc= -0.307 (180deg=-0.676) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 18 THR OG1 : rot 150:sc=-0.000683 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -130:sc= -1.48 USER MOD Single : A 28 CYS SG : rot -173:sc= -6.66! USER MOD Single : A 35 CYS SG : rot 76:sc= -10.5! 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=0.000362 F(o=-1.8,f=0.00036) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 101:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 62 MET CE :methyl 145:sc= -10.9! (180deg=-13.6!) USER MOD Single : A 67 GLN : amide:sc= 0.0056 X(o=0.0056,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.21) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.716 -1.551 -11.694 1.00 0.00 N ATOM 77 CA MET A 4 -2.717 -2.261 -10.904 1.00 0.00 C ATOM 78 C MET A 4 -3.244 -2.540 -9.503 1.00 0.00 C ATOM 79 O MET A 4 -4.430 -2.357 -9.231 1.00 0.00 O ATOM 80 CB MET A 4 -1.418 -1.454 -10.821 1.00 0.00 C ATOM 81 CG MET A 4 -1.022 -0.788 -12.130 1.00 0.00 C ATOM 82 SD MET A 4 0.541 0.104 -12.009 1.00 0.00 S ATOM 83 CE MET A 4 1.190 -0.124 -13.662 1.00 0.00 C ATOM 0 HA MET A 4 -2.508 -3.210 -11.398 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.526 -0.688 -10.053 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.611 -2.114 -10.502 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.944 -1.546 -12.910 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.808 -0.097 -12.434 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.707 0.782 -13.978 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.889 -0.960 -13.666 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.370 -0.333 -14.349 1.00 0.00 H new ATOM 93 N PHE A 5 -2.363 -2.985 -8.616 1.00 0.00 N ATOM 94 CA PHE A 5 -2.757 -3.288 -7.246 1.00 0.00 C ATOM 95 C PHE A 5 -1.576 -3.185 -6.295 1.00 0.00 C ATOM 96 O PHE A 5 -0.420 -3.167 -6.717 1.00 0.00 O ATOM 97 CB PHE A 5 -3.363 -4.692 -7.171 1.00 0.00 C ATOM 98 CG PHE A 5 -2.374 -5.788 -7.452 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.980 -6.658 -6.448 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.839 -5.949 -8.720 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.071 -7.666 -6.702 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.929 -6.955 -8.982 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.545 -7.816 -7.971 1.00 0.00 C ATOM 0 H PHE A 5 -1.376 -3.143 -8.819 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.503 -2.554 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.788 -4.843 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.184 -4.763 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.389 -6.546 -5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.137 -5.280 -9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.772 -8.336 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.519 -7.068 -9.975 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.165 -8.605 -8.173 1.00 0.00 H new ATOM 113 N LEU A 6 -1.882 -3.108 -5.006 1.00 0.00 N ATOM 114 CA LEU A 6 -0.846 -2.995 -3.985 1.00 0.00 C ATOM 115 C LEU A 6 -1.070 -3.987 -2.840 1.00 0.00 C ATOM 116 O LEU A 6 -2.205 -4.236 -2.427 1.00 0.00 O ATOM 117 CB LEU A 6 -0.786 -1.554 -3.470 1.00 0.00 C ATOM 118 CG LEU A 6 -1.008 -1.371 -1.972 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.627 0.038 -1.552 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.454 -1.672 -1.620 1.00 0.00 C ATOM 0 H LEU A 6 -2.835 -3.122 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 6 0.113 -3.248 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.188 -1.137 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.534 -0.967 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.371 -2.069 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.790 0.155 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.424 0.214 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.241 0.758 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.603 -1.539 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.110 -0.993 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.689 -2.701 -1.894 1.00 0.00 H new ATOM 132 N THR A 7 0.028 -4.547 -2.335 1.00 0.00 N ATOM 133 CA THR A 7 -0.027 -5.510 -1.236 1.00 0.00 C ATOM 134 C THR A 7 0.302 -4.832 0.090 1.00 0.00 C ATOM 135 O THR A 7 1.401 -4.306 0.275 1.00 0.00 O ATOM 136 CB THR A 7 0.943 -6.669 -1.479 1.00 0.00 C ATOM 137 OG1 THR A 7 0.653 -7.316 -2.706 1.00 0.00 O ATOM 138 CG2 THR A 7 0.909 -7.720 -0.385 1.00 0.00 C ATOM 0 H THR A 7 0.971 -4.349 -2.671 1.00 0.00 H new ATOM 0 HA THR A 7 -1.042 -5.906 -1.189 1.00 0.00 H new ATOM 0 HB THR A 7 1.935 -6.217 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.284 -8.053 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.620 -8.512 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.177 -7.263 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.094 -8.141 -0.316 1.00 0.00 H new ATOM 146 N VAL A 8 -0.660 -4.843 1.006 1.00 0.00 N ATOM 147 CA VAL A 8 -0.482 -4.223 2.315 1.00 0.00 C ATOM 148 C VAL A 8 -0.123 -5.260 3.374 1.00 0.00 C ATOM 149 O VAL A 8 -0.331 -6.453 3.179 1.00 0.00 O ATOM 150 CB VAL A 8 -1.751 -3.470 2.751 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.436 -2.479 3.862 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.377 -2.763 1.559 1.00 0.00 C ATOM 0 H VAL A 8 -1.573 -5.275 0.866 1.00 0.00 H new ATOM 0 HA VAL A 8 0.339 -3.512 2.222 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.467 -4.194 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.348 -1.958 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.032 -3.013 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.703 -1.755 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.274 -2.234 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.665 -2.051 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.642 -3.497 0.798 1.00 0.00 H new ATOM 162 N TYR A 9 0.430 -4.795 4.487 1.00 0.00 N ATOM 163 CA TYR A 9 0.834 -5.678 5.570 1.00 0.00 C ATOM 164 C TYR A 9 -0.028 -5.472 6.801 1.00 0.00 C ATOM 165 O TYR A 9 -0.195 -4.343 7.289 1.00 0.00 O ATOM 166 CB TYR A 9 2.307 -5.469 5.914 1.00 0.00 C ATOM 167 CG TYR A 9 3.237 -6.339 5.103 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.278 -7.029 5.707 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.071 -6.468 3.731 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.132 -7.824 4.965 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.917 -7.261 2.981 1.00 0.00 C ATOM 172 CZ TYR A 9 4.947 -7.937 3.602 1.00 0.00 C ATOM 173 OH TYR A 9 5.794 -8.727 2.860 1.00 0.00 O ATOM 0 H TYR A 9 0.609 -3.806 4.662 1.00 0.00 H new ATOM 0 HA TYR A 9 0.696 -6.704 5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.566 -4.423 5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.459 -5.675 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.424 -6.944 6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.266 -5.939 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.939 -8.353 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.773 -7.351 1.914 1.00 0.00 H new ATOM 0 HH TYR A 9 5.526 -8.699 1.918 1.00 0.00 H new ATOM 183 N LEU A 10 -0.566 -6.584 7.291 1.00 0.00 N ATOM 184 CA LEU A 10 -1.421 -6.590 8.467 1.00 0.00 C ATOM 185 C LEU A 10 -0.594 -6.718 9.738 1.00 0.00 C ATOM 186 O LEU A 10 0.312 -7.548 9.821 1.00 0.00 O ATOM 187 CB LEU A 10 -2.412 -7.755 8.391 1.00 0.00 C ATOM 188 CG LEU A 10 -3.216 -7.850 7.097 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.445 -8.634 6.044 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.575 -8.489 7.357 1.00 0.00 C ATOM 0 H LEU A 10 -0.420 -7.507 6.881 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.965 -5.646 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.862 -8.686 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.108 -7.672 9.226 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.380 -6.841 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.034 -8.691 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.500 -8.132 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.248 -9.641 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.134 -8.548 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.434 -9.492 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.130 -7.884 8.074 1.00 0.00 H new ATOM 241 N GLU A 14 5.728 -9.664 8.995 1.00 0.00 N ATOM 242 CA GLU A 14 6.503 -9.525 7.766 1.00 0.00 C ATOM 243 C GLU A 14 6.053 -10.527 6.702 1.00 0.00 C ATOM 244 O GLU A 14 6.544 -10.502 5.573 1.00 0.00 O ATOM 245 CB GLU A 14 7.993 -9.713 8.059 1.00 0.00 C ATOM 246 CG GLU A 14 8.493 -8.880 9.228 1.00 0.00 C ATOM 247 CD GLU A 14 9.867 -9.311 9.705 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.938 -10.123 10.651 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.870 -8.836 9.132 1.00 0.00 O ATOM 0 HA GLU A 14 6.332 -8.521 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.184 -10.766 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.565 -9.454 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.527 -7.831 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.785 -8.957 10.053 1.00 0.00 H new ATOM 256 N GLN A 15 5.122 -11.407 7.062 1.00 0.00 N ATOM 257 CA GLN A 15 4.620 -12.411 6.127 1.00 0.00 C ATOM 258 C GLN A 15 3.112 -12.320 5.967 1.00 0.00 C ATOM 259 O GLN A 15 2.549 -12.966 5.082 1.00 0.00 O ATOM 260 CB GLN A 15 5.016 -13.814 6.586 1.00 0.00 C ATOM 261 CG GLN A 15 6.493 -14.124 6.395 1.00 0.00 C ATOM 262 CD GLN A 15 6.981 -15.229 7.311 1.00 0.00 C ATOM 263 OE1 GLN A 15 7.371 -16.303 6.854 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.961 -14.969 8.614 1.00 0.00 N ATOM 0 H GLN A 15 4.701 -11.446 7.990 1.00 0.00 H new ATOM 0 HA GLN A 15 5.073 -12.212 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.763 -13.927 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.426 -14.547 6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.669 -14.412 5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.076 -13.222 6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.629 -14.064 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.277 -15.674 9.280 1.00 0.00 H new ATOM 273 N HIS A 16 2.448 -11.497 6.778 1.00 0.00 N ATOM 274 CA HIS A 16 1.012 -11.353 6.620 1.00 0.00 C ATOM 275 C HIS A 16 0.748 -10.072 5.859 1.00 0.00 C ATOM 276 O HIS A 16 1.140 -8.984 6.282 1.00 0.00 O ATOM 277 CB HIS A 16 0.334 -11.291 7.991 1.00 0.00 C ATOM 278 CG HIS A 16 -1.161 -11.290 7.937 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.943 -10.918 9.009 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.019 -11.607 6.939 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.216 -11.004 8.674 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.290 -11.419 7.423 1.00 0.00 N ATOM 0 H HIS A 16 2.867 -10.941 7.523 1.00 0.00 H new ATOM 0 HA HIS A 16 0.609 -12.207 6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.664 -12.143 8.586 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.668 -10.392 8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.754 -11.944 5.948 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.055 -10.774 9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.152 -11.575 6.900 1.00 0.00 H new ATOM 291 N PHE A 17 0.083 -10.213 4.731 1.00 0.00 N ATOM 292 CA PHE A 17 -0.242 -9.083 3.889 1.00 0.00 C ATOM 293 C PHE A 17 -1.594 -9.253 3.240 1.00 0.00 C ATOM 294 O PHE A 17 -2.081 -10.373 3.077 1.00 0.00 O ATOM 295 CB PHE A 17 0.814 -8.898 2.813 1.00 0.00 C ATOM 296 CG PHE A 17 1.178 -10.180 2.144 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.396 -10.675 1.110 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.300 -10.893 2.550 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.733 -11.864 0.492 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.638 -12.079 1.938 1.00 0.00 C ATOM 301 CZ PHE A 17 1.855 -12.569 0.906 1.00 0.00 C ATOM 0 H PHE A 17 -0.246 -11.110 4.374 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.270 -8.199 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.448 -8.193 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.707 -8.457 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.478 -10.129 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.913 -10.513 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.123 -12.245 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.511 -12.626 2.262 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.117 -13.499 0.424 1.00 0.00 H new ATOM 311 N THR A 18 -2.164 -8.153 2.807 1.00 0.00 N ATOM 312 CA THR A 18 -3.421 -8.201 2.099 1.00 0.00 C ATOM 313 C THR A 18 -3.322 -7.344 0.847 1.00 0.00 C ATOM 314 O THR A 18 -3.176 -6.124 0.924 1.00 0.00 O ATOM 315 CB THR A 18 -4.572 -7.732 2.987 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.793 -7.732 2.269 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.366 -6.339 3.542 1.00 0.00 C ATOM 0 H THR A 18 -1.779 -7.217 2.932 1.00 0.00 H new ATOM 0 HA THR A 18 -3.629 -9.233 1.816 1.00 0.00 H new ATOM 0 HB THR A 18 -4.604 -8.438 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.535 -7.907 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.218 -6.065 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.457 -6.317 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.274 -5.630 2.720 1.00 0.00 H new ATOM 325 N GLU A 19 -3.386 -7.994 -0.305 1.00 0.00 N ATOM 326 CA GLU A 19 -3.284 -7.295 -1.576 1.00 0.00 C ATOM 327 C GLU A 19 -4.657 -6.946 -2.118 1.00 0.00 C ATOM 328 O GLU A 19 -5.643 -7.626 -1.833 1.00 0.00 O ATOM 329 CB GLU A 19 -2.506 -8.130 -2.592 1.00 0.00 C ATOM 330 CG GLU A 19 -2.807 -9.619 -2.529 1.00 0.00 C ATOM 331 CD GLU A 19 -2.202 -10.385 -3.690 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.961 -10.789 -4.595 1.00 0.00 O ATOM 333 OE2 GLU A 19 -0.967 -10.579 -3.695 1.00 0.00 O ATOM 0 H GLU A 19 -3.508 -9.003 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.741 -6.366 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.731 -7.766 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.439 -7.978 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.424 -10.024 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.887 -9.768 -2.523 1.00 0.00 H new ATOM 340 N VAL A 20 -4.716 -5.868 -2.886 1.00 0.00 N ATOM 341 CA VAL A 20 -5.980 -5.418 -3.449 1.00 0.00 C ATOM 342 C VAL A 20 -5.786 -4.552 -4.696 1.00 0.00 C ATOM 343 O VAL A 20 -4.905 -3.689 -4.734 1.00 0.00 O ATOM 344 CB VAL A 20 -6.775 -4.608 -2.408 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.019 -3.341 -2.024 1.00 0.00 C ATOM 346 CG2 VAL A 20 -8.165 -4.278 -2.934 1.00 0.00 C ATOM 0 H VAL A 20 -3.910 -5.293 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.530 -6.315 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.890 -5.216 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.596 -2.782 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.052 -3.609 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.868 -2.725 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.711 -3.706 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.078 -3.690 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.702 -5.202 -3.147 1.00 0.00 H new ATOM 356 N PRO A 21 -6.633 -4.759 -5.725 1.00 0.00 N ATOM 357 CA PRO A 21 -6.586 -3.989 -6.959 1.00 0.00 C ATOM 358 C PRO A 21 -7.449 -2.739 -6.861 1.00 0.00 C ATOM 359 O PRO A 21 -8.513 -2.762 -6.242 1.00 0.00 O ATOM 360 CB PRO A 21 -7.165 -4.966 -7.975 1.00 0.00 C ATOM 361 CG PRO A 21 -8.171 -5.757 -7.203 1.00 0.00 C ATOM 362 CD PRO A 21 -7.726 -5.748 -5.756 1.00 0.00 C ATOM 0 HA PRO A 21 -5.587 -3.633 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.629 -4.441 -8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.391 -5.609 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.165 -5.320 -7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.232 -6.777 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.540 -5.464 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.383 -6.732 -5.438 1.00 0.00 H new ATOM 370 N VAL A 22 -6.987 -1.646 -7.452 1.00 0.00 N ATOM 371 CA VAL A 22 -7.733 -0.396 -7.398 1.00 0.00 C ATOM 372 C VAL A 22 -7.429 0.512 -8.573 1.00 0.00 C ATOM 373 O VAL A 22 -6.342 0.472 -9.146 1.00 0.00 O ATOM 374 CB VAL A 22 -7.397 0.404 -6.126 1.00 0.00 C ATOM 375 CG1 VAL A 22 -8.119 -0.151 -4.909 1.00 0.00 C ATOM 376 CG2 VAL A 22 -5.891 0.438 -5.907 1.00 0.00 C ATOM 0 H VAL A 22 -6.109 -1.598 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.783 -0.690 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.748 1.426 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.857 0.439 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.196 -0.102 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.822 -1.188 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.667 1.007 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.516 -0.580 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.409 0.911 -6.763 1.00 0.00 H new ATOM 386 N THR A 23 -8.382 1.380 -8.872 1.00 0.00 N ATOM 387 CA THR A 23 -8.217 2.371 -9.917 1.00 0.00 C ATOM 388 C THR A 23 -7.659 3.621 -9.253 1.00 0.00 C ATOM 389 O THR A 23 -7.628 3.692 -8.023 1.00 0.00 O ATOM 390 CB THR A 23 -9.554 2.670 -10.603 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.320 3.582 -9.836 1.00 0.00 O ATOM 392 CG2 THR A 23 -10.402 1.436 -10.827 1.00 0.00 C ATOM 0 H THR A 23 -9.285 1.416 -8.399 1.00 0.00 H new ATOM 0 HA THR A 23 -7.541 2.008 -10.691 1.00 0.00 H new ATOM 0 HB THR A 23 -9.291 3.092 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.169 3.761 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.334 1.719 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.860 0.732 -11.458 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.623 0.968 -9.868 1.00 0.00 H new ATOM 400 N PRO A 24 -7.208 4.627 -10.007 1.00 0.00 N ATOM 401 CA PRO A 24 -6.667 5.832 -9.394 1.00 0.00 C ATOM 402 C PRO A 24 -7.764 6.713 -8.807 1.00 0.00 C ATOM 403 O PRO A 24 -7.854 7.906 -9.098 1.00 0.00 O ATOM 404 CB PRO A 24 -5.935 6.521 -10.534 1.00 0.00 C ATOM 405 CG PRO A 24 -6.618 6.052 -11.778 1.00 0.00 C ATOM 406 CD PRO A 24 -7.190 4.685 -11.478 1.00 0.00 C ATOM 0 HA PRO A 24 -6.013 5.613 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.990 7.605 -10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.878 6.255 -10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.407 6.745 -12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.914 6.002 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.190 4.570 -11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.574 3.892 -11.902 1.00 0.00 H new ATOM 414 N GLU A 25 -8.587 6.097 -7.962 1.00 0.00 N ATOM 415 CA GLU A 25 -9.682 6.779 -7.291 1.00 0.00 C ATOM 416 C GLU A 25 -9.621 6.477 -5.800 1.00 0.00 C ATOM 417 O GLU A 25 -9.718 7.376 -4.966 1.00 0.00 O ATOM 418 CB GLU A 25 -11.027 6.336 -7.869 1.00 0.00 C ATOM 419 CG GLU A 25 -12.028 7.470 -8.021 1.00 0.00 C ATOM 420 CD GLU A 25 -13.464 6.984 -8.028 1.00 0.00 C ATOM 421 OE1 GLU A 25 -14.241 7.417 -7.151 1.00 0.00 O ATOM 422 OE2 GLU A 25 -13.810 6.170 -8.909 1.00 0.00 O ATOM 0 H GLU A 25 -8.510 5.108 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.585 7.853 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.861 5.877 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.455 5.569 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.893 8.180 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.825 8.006 -8.948 1.00 0.00 H new ATOM 429 N THR A 26 -9.427 5.198 -5.473 1.00 0.00 N ATOM 430 CA THR A 26 -9.317 4.778 -4.084 1.00 0.00 C ATOM 431 C THR A 26 -7.888 4.945 -3.604 1.00 0.00 C ATOM 432 O THR A 26 -6.940 4.715 -4.355 1.00 0.00 O ATOM 433 CB THR A 26 -9.741 3.331 -3.897 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.184 2.507 -4.906 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.242 3.137 -3.911 1.00 0.00 C ATOM 0 H THR A 26 -9.344 4.441 -6.152 1.00 0.00 H new ATOM 0 HA THR A 26 -9.986 5.408 -3.498 1.00 0.00 H new ATOM 0 HB THR A 26 -9.368 3.048 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.889 1.956 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.474 2.081 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.691 3.716 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.644 3.474 -4.867 1.00 0.00 H new ATOM 443 N ILE A 27 -7.735 5.334 -2.351 1.00 0.00 N ATOM 444 CA ILE A 27 -6.400 5.514 -1.787 1.00 0.00 C ATOM 445 C ILE A 27 -6.301 4.990 -0.356 1.00 0.00 C ATOM 446 O ILE A 27 -7.078 5.379 0.513 1.00 0.00 O ATOM 447 CB ILE A 27 -6.046 7.015 -1.776 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.920 7.774 -0.761 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.211 7.611 -3.167 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.395 7.430 -0.810 1.00 0.00 C ATOM 0 H ILE A 27 -8.503 5.530 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.708 4.948 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.003 7.117 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.547 7.570 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.805 8.844 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.957 8.671 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.550 7.096 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.244 7.493 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.930 8.013 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.790 7.661 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.528 6.368 -0.606 1.00 0.00 H new ATOM 462 N CYS A 28 -5.307 4.142 -0.113 1.00 0.00 N ATOM 463 CA CYS A 28 -5.046 3.577 1.214 1.00 0.00 C ATOM 464 C CYS A 28 -6.342 3.256 1.961 1.00 0.00 C ATOM 465 O CYS A 28 -6.354 3.152 3.188 1.00 0.00 O ATOM 466 CB CYS A 28 -4.151 4.486 2.047 1.00 0.00 C ATOM 467 SG CYS A 28 -3.394 3.668 3.473 1.00 0.00 S ATOM 0 H CYS A 28 -4.656 3.824 -0.830 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.514 2.639 1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.362 4.886 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.738 5.335 2.397 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.776 4.550 4.201 1.00 0.00 H new ATOM 473 N ARG A 29 -7.418 3.066 1.213 1.00 0.00 N ATOM 474 CA ARG A 29 -8.705 2.726 1.793 1.00 0.00 C ATOM 475 C ARG A 29 -8.727 1.237 1.995 1.00 0.00 C ATOM 476 O ARG A 29 -9.073 0.730 3.061 1.00 0.00 O ATOM 477 CB ARG A 29 -9.848 3.154 0.871 1.00 0.00 C ATOM 478 CG ARG A 29 -10.105 4.651 0.876 1.00 0.00 C ATOM 479 CD ARG A 29 -11.054 5.047 1.993 1.00 0.00 C ATOM 480 NE ARG A 29 -12.377 5.401 1.486 1.00 0.00 N ATOM 481 CZ ARG A 29 -12.625 6.489 0.761 1.00 0.00 C ATOM 482 NH1 ARG A 29 -11.647 7.336 0.466 1.00 0.00 N ATOM 483 NH2 ARG A 29 -13.856 6.731 0.328 1.00 0.00 N ATOM 0 H ARG A 29 -7.423 3.143 0.196 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.841 3.247 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.621 2.836 -0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.759 2.636 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.161 5.183 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.524 4.953 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.145 4.223 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.637 5.892 2.540 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.156 4.778 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.699 7.155 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.843 8.168 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.612 6.083 0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.046 7.565 -0.228 1.00 0.00 H new ATOM 497 N ASP A 30 -8.292 0.548 0.956 1.00 0.00 N ATOM 498 CA ASP A 30 -8.189 -0.897 0.992 1.00 0.00 C ATOM 499 C ASP A 30 -6.993 -1.283 1.854 1.00 0.00 C ATOM 500 O ASP A 30 -6.992 -2.323 2.513 1.00 0.00 O ATOM 501 CB ASP A 30 -8.027 -1.458 -0.419 1.00 0.00 C ATOM 502 CG ASP A 30 -9.353 -1.593 -1.142 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.227 -2.333 -0.645 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.517 -0.957 -2.205 1.00 0.00 O ATOM 0 H ASP A 30 -8.003 0.970 0.073 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.101 -1.316 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.368 -0.807 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.544 -2.434 -0.366 1.00 0.00 H new ATOM 509 N VAL A 31 -5.980 -0.415 1.854 1.00 0.00 N ATOM 510 CA VAL A 31 -4.775 -0.631 2.642 1.00 0.00 C ATOM 511 C VAL A 31 -5.110 -0.608 4.133 1.00 0.00 C ATOM 512 O VAL A 31 -4.775 -1.538 4.871 1.00 0.00 O ATOM 513 CB VAL A 31 -3.718 0.460 2.334 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.476 0.321 3.205 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.333 0.442 0.863 1.00 0.00 C ATOM 0 H VAL A 31 -5.975 0.449 1.312 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.365 -1.606 2.377 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.178 1.420 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.765 1.107 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.756 0.409 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.017 -0.652 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.590 1.216 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.916 -0.532 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.217 0.629 0.253 1.00 0.00 H new ATOM 525 N VAL A 32 -5.782 0.455 4.566 1.00 0.00 N ATOM 526 CA VAL A 32 -6.168 0.593 5.966 1.00 0.00 C ATOM 527 C VAL A 32 -7.317 -0.345 6.330 1.00 0.00 C ATOM 528 O VAL A 32 -7.258 -1.052 7.335 1.00 0.00 O ATOM 529 CB VAL A 32 -6.559 2.045 6.302 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.029 2.153 7.746 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.384 2.979 6.047 1.00 0.00 C ATOM 0 H VAL A 32 -6.070 1.231 3.969 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.295 0.318 6.558 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.384 2.342 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.301 3.186 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.897 1.510 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.227 1.840 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.673 4.002 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.542 2.683 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.095 2.922 4.998 1.00 0.00 H new ATOM 541 N ASP A 33 -8.368 -0.335 5.515 1.00 0.00 N ATOM 542 CA ASP A 33 -9.536 -1.174 5.762 1.00 0.00 C ATOM 543 C ASP A 33 -9.164 -2.651 5.865 1.00 0.00 C ATOM 544 O ASP A 33 -9.771 -3.397 6.634 1.00 0.00 O ATOM 545 CB ASP A 33 -10.576 -0.980 4.656 1.00 0.00 C ATOM 546 CG ASP A 33 -11.220 0.392 4.705 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.413 0.500 4.347 1.00 0.00 O ATOM 548 OD2 ASP A 33 -10.535 1.357 5.101 1.00 0.00 O ATOM 0 H ASP A 33 -8.435 0.245 4.678 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.959 -0.866 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.101 -1.121 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.348 -1.744 4.748 1.00 0.00 H new ATOM 553 N LEU A 34 -8.178 -3.076 5.081 1.00 0.00 N ATOM 554 CA LEU A 34 -7.756 -4.472 5.090 1.00 0.00 C ATOM 555 C LEU A 34 -6.755 -4.749 6.209 1.00 0.00 C ATOM 556 O LEU A 34 -6.760 -5.829 6.798 1.00 0.00 O ATOM 557 CB LEU A 34 -7.148 -4.854 3.741 1.00 0.00 C ATOM 558 CG LEU A 34 -8.115 -4.802 2.556 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.350 -4.737 1.243 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.045 -6.006 2.576 1.00 0.00 C ATOM 0 H LEU A 34 -7.660 -2.479 4.436 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.642 -5.081 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.310 -4.188 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.742 -5.863 3.815 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.719 -3.899 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.055 -4.701 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.727 -3.843 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.719 -5.621 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.726 -5.954 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.457 -6.921 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.619 -6.007 3.502 1.00 0.00 H new ATOM 572 N CYS A 35 -5.894 -3.776 6.501 1.00 0.00 N ATOM 573 CA CYS A 35 -4.897 -3.941 7.547 1.00 0.00 C ATOM 574 C CYS A 35 -5.259 -3.141 8.788 1.00 0.00 C ATOM 575 O CYS A 35 -4.390 -2.604 9.473 1.00 0.00 O ATOM 576 CB CYS A 35 -3.524 -3.516 7.033 1.00 0.00 C ATOM 577 SG CYS A 35 -2.874 -4.570 5.718 1.00 0.00 S ATOM 0 H CYS A 35 -5.869 -2.872 6.029 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.869 -4.995 7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.586 -2.491 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.820 -3.515 7.865 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.483 -4.297 4.602 1.00 0.00 H new ATOM 583 N LYS A 36 -6.547 -3.077 9.071 1.00 0.00 N ATOM 584 CA LYS A 36 -7.039 -2.347 10.232 1.00 0.00 C ATOM 585 C LYS A 36 -7.146 -3.261 11.449 1.00 0.00 C ATOM 586 O LYS A 36 -6.992 -4.477 11.342 1.00 0.00 O ATOM 587 CB LYS A 36 -8.400 -1.721 9.927 1.00 0.00 C ATOM 588 CG LYS A 36 -8.451 -0.224 10.183 1.00 0.00 C ATOM 589 CD LYS A 36 -9.816 0.207 10.697 1.00 0.00 C ATOM 590 CE LYS A 36 -10.921 -0.162 9.721 1.00 0.00 C ATOM 591 NZ LYS A 36 -12.262 -0.143 10.366 1.00 0.00 N ATOM 0 H LYS A 36 -7.276 -3.522 8.513 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.325 -1.555 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.653 -1.912 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.161 -2.211 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.685 0.048 10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.222 0.312 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.008 -0.264 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.820 1.284 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.912 0.534 8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.729 -1.154 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.987 -0.400 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.280 -0.826 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.457 0.810 10.733 1.00 0.00 H new ATOM 679 N CYS A 43 -4.137 6.524 11.437 1.00 0.00 N ATOM 680 CA CYS A 43 -3.053 5.641 11.021 1.00 0.00 C ATOM 681 C CYS A 43 -2.519 6.039 9.649 1.00 0.00 C ATOM 682 O CYS A 43 -3.115 6.861 8.953 1.00 0.00 O ATOM 683 CB CYS A 43 -3.534 4.189 10.991 1.00 0.00 C ATOM 684 SG CYS A 43 -3.984 3.525 12.612 1.00 0.00 S ATOM 0 HA CYS A 43 -2.244 5.736 11.746 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.397 4.117 10.329 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.749 3.567 10.561 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.380 2.294 12.482 1.00 0.00 H new ATOM 690 N HIS A 44 -1.390 5.451 9.269 1.00 0.00 N ATOM 691 CA HIS A 44 -0.768 5.740 7.982 1.00 0.00 C ATOM 692 C HIS A 44 -0.204 4.463 7.357 1.00 0.00 C ATOM 693 O HIS A 44 0.067 3.485 8.060 1.00 0.00 O ATOM 694 CB HIS A 44 0.330 6.804 8.145 1.00 0.00 C ATOM 695 CG HIS A 44 1.729 6.265 8.133 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.606 6.101 7.113 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.377 5.823 9.267 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.754 5.569 7.646 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.591 5.411 8.946 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.886 4.769 9.836 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.529 6.136 7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.230 7.536 7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.167 7.334 9.083 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.444 6.330 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.958 5.815 10.262 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.646 5.320 7.091 1.00 0.00 H new ATOM 708 N LEU A 45 -0.020 4.479 6.039 1.00 0.00 N ATOM 709 CA LEU A 45 0.522 3.323 5.339 1.00 0.00 C ATOM 710 C LEU A 45 1.992 3.577 5.019 1.00 0.00 C ATOM 711 O LEU A 45 2.374 4.706 4.745 1.00 0.00 O ATOM 712 CB LEU A 45 -0.294 3.044 4.070 1.00 0.00 C ATOM 713 CG LEU A 45 0.424 2.249 2.975 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.775 0.859 3.468 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.430 2.172 1.715 1.00 0.00 C ATOM 0 H LEU A 45 -0.237 5.275 5.440 1.00 0.00 H new ATOM 0 HA LEU A 45 0.454 2.438 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.196 2.502 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.614 3.998 3.650 1.00 0.00 H new ATOM 0 HG LEU A 45 1.349 2.769 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.284 0.310 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.430 0.935 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.137 0.331 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.099 1.603 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.375 1.679 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.627 3.179 1.347 1.00 0.00 H new ATOM 727 N ALA A 46 2.819 2.539 5.083 1.00 0.00 N ATOM 728 CA ALA A 46 4.250 2.690 4.823 1.00 0.00 C ATOM 729 C ALA A 46 4.679 2.008 3.527 1.00 0.00 C ATOM 730 O ALA A 46 4.051 1.044 3.085 1.00 0.00 O ATOM 731 CB ALA A 46 5.052 2.143 5.993 1.00 0.00 C ATOM 0 H ALA A 46 2.527 1.589 5.311 1.00 0.00 H new ATOM 0 HA ALA A 46 4.449 3.755 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.117 2.260 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.793 2.690 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.822 1.086 6.129 1.00 0.00 H new ATOM 737 N GLU A 47 5.759 2.519 2.928 1.00 0.00 N ATOM 738 CA GLU A 47 6.286 1.957 1.687 1.00 0.00 C ATOM 739 C GLU A 47 7.757 1.571 1.846 1.00 0.00 C ATOM 740 O GLU A 47 8.622 2.435 1.960 1.00 0.00 O ATOM 741 CB GLU A 47 6.158 2.978 0.561 1.00 0.00 C ATOM 742 CG GLU A 47 6.540 4.392 0.969 1.00 0.00 C ATOM 743 CD GLU A 47 6.662 5.326 -0.219 1.00 0.00 C ATOM 744 OE1 GLU A 47 7.758 5.389 -0.814 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.662 5.995 -0.554 1.00 0.00 O ATOM 0 H GLU A 47 6.282 3.319 3.284 1.00 0.00 H new ATOM 0 HA GLU A 47 5.710 1.064 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.788 2.667 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.130 2.979 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.792 4.782 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.488 4.368 1.507 1.00 0.00 H new ATOM 752 N VAL A 48 8.036 0.271 1.826 1.00 0.00 N ATOM 753 CA VAL A 48 9.407 -0.224 1.943 1.00 0.00 C ATOM 754 C VAL A 48 9.777 -1.119 0.770 1.00 0.00 C ATOM 755 O VAL A 48 9.120 -2.136 0.537 1.00 0.00 O ATOM 756 CB VAL A 48 9.653 -0.992 3.261 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.147 -1.125 3.526 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.956 -0.307 4.431 1.00 0.00 C ATOM 0 H VAL A 48 7.332 -0.460 1.730 1.00 0.00 H new ATOM 0 HA VAL A 48 10.042 0.662 1.941 1.00 0.00 H new ATOM 0 HB VAL A 48 9.229 -1.991 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.304 -1.668 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.615 -1.669 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.592 -0.133 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.145 -0.868 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.341 0.707 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.883 -0.270 4.244 1.00 0.00 H new ATOM 768 N TRP A 49 10.829 -0.767 0.040 1.00 0.00 N ATOM 769 CA TRP A 49 11.255 -1.595 -1.079 1.00 0.00 C ATOM 770 C TRP A 49 12.773 -1.583 -1.256 1.00 0.00 C ATOM 771 O TRP A 49 13.374 -0.535 -1.486 1.00 0.00 O ATOM 772 CB TRP A 49 10.526 -1.179 -2.361 1.00 0.00 C ATOM 773 CG TRP A 49 11.408 -0.749 -3.482 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.101 -1.535 -4.351 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.663 0.589 -3.852 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.782 -0.748 -5.249 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.528 0.571 -4.955 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.234 1.797 -3.339 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.977 1.741 -5.561 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.672 2.966 -3.932 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.539 2.931 -5.035 1.00 0.00 C ATOM 0 H TRP A 49 11.392 0.069 0.199 1.00 0.00 H new ATOM 0 HA TRP A 49 10.982 -2.626 -0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.916 -2.016 -2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.844 -0.363 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.114 -2.615 -4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.376 -1.086 -6.006 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.568 1.828 -2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.643 1.714 -6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.343 3.918 -3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.868 3.859 -5.479 1.00 0.00 H new ATOM 792 N CYS A 50 13.381 -2.765 -1.159 1.00 0.00 N ATOM 793 CA CYS A 50 14.829 -2.912 -1.319 1.00 0.00 C ATOM 794 C CYS A 50 15.595 -1.826 -0.567 1.00 0.00 C ATOM 795 O CYS A 50 16.397 -1.098 -1.153 1.00 0.00 O ATOM 796 CB CYS A 50 15.200 -2.879 -2.804 1.00 0.00 C ATOM 797 SG CYS A 50 15.051 -4.477 -3.637 1.00 0.00 S ATOM 0 H CYS A 50 12.891 -3.639 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 50 15.112 -3.875 -0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.561 -2.156 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.226 -2.523 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 50 15.383 -4.347 -4.887 1.00 0.00 H new ATOM 803 N GLY A 51 15.348 -1.723 0.734 1.00 0.00 N ATOM 804 CA GLY A 51 16.027 -0.726 1.541 1.00 0.00 C ATOM 805 C GLY A 51 15.418 0.659 1.409 1.00 0.00 C ATOM 806 O GLY A 51 15.848 1.595 2.083 1.00 0.00 O ATOM 0 H GLY A 51 14.690 -2.312 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.998 -1.032 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.077 -0.685 1.250 1.00 0.00 H new ATOM 810 N SER A 52 14.416 0.795 0.545 1.00 0.00 N ATOM 811 CA SER A 52 13.755 2.076 0.341 1.00 0.00 C ATOM 812 C SER A 52 12.477 2.148 1.162 1.00 0.00 C ATOM 813 O SER A 52 11.427 1.675 0.730 1.00 0.00 O ATOM 814 CB SER A 52 13.426 2.279 -1.139 1.00 0.00 C ATOM 815 OG SER A 52 14.403 1.673 -1.967 1.00 0.00 O ATOM 0 H SER A 52 14.046 0.033 -0.024 1.00 0.00 H new ATOM 0 HA SER A 52 14.433 2.865 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.446 1.855 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.369 3.345 -1.359 1.00 0.00 H new ATOM 0 HG SER A 52 14.064 0.816 -2.299 1.00 0.00 H new ATOM 821 N GLU A 53 12.570 2.744 2.345 1.00 0.00 N ATOM 822 CA GLU A 53 11.416 2.871 3.222 1.00 0.00 C ATOM 823 C GLU A 53 10.987 4.333 3.343 1.00 0.00 C ATOM 824 O GLU A 53 11.807 5.208 3.626 1.00 0.00 O ATOM 825 CB GLU A 53 11.740 2.305 4.606 1.00 0.00 C ATOM 826 CG GLU A 53 10.598 2.438 5.602 1.00 0.00 C ATOM 827 CD GLU A 53 10.763 3.631 6.521 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.122 3.648 7.593 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.535 4.549 6.171 1.00 0.00 O ATOM 0 H GLU A 53 13.431 3.145 2.717 1.00 0.00 H new ATOM 0 HA GLU A 53 10.593 2.303 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.003 1.252 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.617 2.816 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.657 2.529 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.535 1.529 6.200 1.00 0.00 H new ATOM 836 N ARG A 54 9.701 4.592 3.127 1.00 0.00 N ATOM 837 CA ARG A 54 9.162 5.946 3.210 1.00 0.00 C ATOM 838 C ARG A 54 7.730 5.928 3.746 1.00 0.00 C ATOM 839 O ARG A 54 7.013 4.942 3.584 1.00 0.00 O ATOM 840 CB ARG A 54 9.186 6.616 1.833 1.00 0.00 C ATOM 841 CG ARG A 54 10.584 6.888 1.301 1.00 0.00 C ATOM 842 CD ARG A 54 10.629 6.782 -0.215 1.00 0.00 C ATOM 843 NE ARG A 54 11.610 7.695 -0.799 1.00 0.00 N ATOM 844 CZ ARG A 54 12.918 7.449 -0.844 1.00 0.00 C ATOM 845 NH1 ARG A 54 13.407 6.324 -0.337 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.739 8.331 -1.397 1.00 0.00 N ATOM 0 H ARG A 54 9.010 3.879 2.892 1.00 0.00 H new ATOM 0 HA ARG A 54 9.788 6.516 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.655 5.982 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.640 7.558 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.905 7.884 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.286 6.178 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.872 5.758 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.642 7.001 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 54 11.273 8.572 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.780 5.642 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.410 6.141 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.369 9.197 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.741 8.143 -1.432 1.00 0.00 H new ATOM 860 N PRO A 55 7.290 7.023 4.392 1.00 0.00 N ATOM 861 CA PRO A 55 5.940 7.128 4.946 1.00 0.00 C ATOM 862 C PRO A 55 4.906 7.451 3.870 1.00 0.00 C ATOM 863 O PRO A 55 5.031 8.446 3.157 1.00 0.00 O ATOM 864 CB PRO A 55 6.043 8.290 5.951 1.00 0.00 C ATOM 865 CG PRO A 55 7.473 8.738 5.929 1.00 0.00 C ATOM 866 CD PRO A 55 8.059 8.245 4.638 1.00 0.00 C ATOM 0 HA PRO A 55 5.613 6.191 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.376 9.105 5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.752 7.967 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.539 9.824 5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.019 8.333 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.938 8.970 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.126 8.043 4.727 1.00 0.00 H new ATOM 874 N VAL A 56 3.882 6.608 3.757 1.00 0.00 N ATOM 875 CA VAL A 56 2.832 6.813 2.767 1.00 0.00 C ATOM 876 C VAL A 56 1.543 7.323 3.412 1.00 0.00 C ATOM 877 O VAL A 56 1.053 6.767 4.407 1.00 0.00 O ATOM 878 CB VAL A 56 2.515 5.531 1.939 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.446 4.366 2.288 1.00 0.00 C ATOM 880 CG2 VAL A 56 1.047 5.130 2.103 1.00 0.00 C ATOM 0 H VAL A 56 3.759 5.779 4.338 1.00 0.00 H new ATOM 0 HA VAL A 56 3.223 7.567 2.084 1.00 0.00 H new ATOM 0 HB VAL A 56 2.694 5.773 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.184 3.497 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.478 4.651 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.340 4.119 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.847 4.233 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.840 4.930 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.407 5.941 1.755 1.00 0.00 H new ATOM 890 N ALA A 57 0.990 8.368 2.811 1.00 0.00 N ATOM 891 CA ALA A 57 -0.248 8.965 3.281 1.00 0.00 C ATOM 892 C ALA A 57 -1.439 8.132 2.834 1.00 0.00 C ATOM 893 O ALA A 57 -1.486 7.659 1.696 1.00 0.00 O ATOM 894 CB ALA A 57 -0.370 10.379 2.752 1.00 0.00 C ATOM 0 H ALA A 57 1.386 8.822 1.988 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.235 8.993 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.300 10.822 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.473 10.973 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.370 10.361 1.662 1.00 0.00 H new ATOM 900 N ASP A 58 -2.395 7.941 3.731 1.00 0.00 N ATOM 901 CA ASP A 58 -3.565 7.142 3.412 1.00 0.00 C ATOM 902 C ASP A 58 -4.375 7.732 2.263 1.00 0.00 C ATOM 903 O ASP A 58 -5.268 7.074 1.734 1.00 0.00 O ATOM 904 CB ASP A 58 -4.468 6.966 4.630 1.00 0.00 C ATOM 905 CG ASP A 58 -3.782 6.229 5.762 1.00 0.00 C ATOM 906 OD1 ASP A 58 -2.710 5.636 5.521 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.317 6.245 6.891 1.00 0.00 O ATOM 0 H ASP A 58 -2.383 8.325 4.676 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.189 6.168 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.792 7.945 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.365 6.420 4.337 1.00 0.00 H new ATOM 912 N ASN A 59 -4.087 8.967 1.883 1.00 0.00 N ATOM 913 CA ASN A 59 -4.828 9.599 0.801 1.00 0.00 C ATOM 914 C ASN A 59 -4.079 9.517 -0.530 1.00 0.00 C ATOM 915 O ASN A 59 -4.367 10.277 -1.454 1.00 0.00 O ATOM 916 CB ASN A 59 -5.127 11.060 1.144 1.00 0.00 C ATOM 917 CG ASN A 59 -6.447 11.529 0.566 1.00 0.00 C ATOM 918 OD1 ASN A 59 -6.487 12.434 -0.267 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.539 10.913 1.006 1.00 0.00 N ATOM 0 H ASN A 59 -3.357 9.545 2.300 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.765 9.054 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.144 11.180 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.323 11.691 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.456 11.186 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.460 10.167 1.698 1.00 0.00 H new ATOM 926 N GLU A 60 -3.121 8.598 -0.629 1.00 0.00 N ATOM 927 CA GLU A 60 -2.345 8.438 -1.856 1.00 0.00 C ATOM 928 C GLU A 60 -2.924 7.331 -2.741 1.00 0.00 C ATOM 929 O GLU A 60 -3.160 6.214 -2.278 1.00 0.00 O ATOM 930 CB GLU A 60 -0.889 8.129 -1.511 1.00 0.00 C ATOM 931 CG GLU A 60 -0.201 9.238 -0.731 1.00 0.00 C ATOM 932 CD GLU A 60 0.258 10.377 -1.619 1.00 0.00 C ATOM 933 OE1 GLU A 60 -0.505 11.355 -1.772 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.381 10.293 -2.160 1.00 0.00 O ATOM 0 H GLU A 60 -2.865 7.956 0.121 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.395 9.373 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.850 7.208 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.336 7.947 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.885 9.624 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.658 8.826 -0.202 1.00 0.00 H new ATOM 941 N ARG A 61 -3.147 7.648 -4.018 1.00 0.00 N ATOM 942 CA ARG A 61 -3.696 6.679 -4.970 1.00 0.00 C ATOM 943 C ARG A 61 -2.744 5.500 -5.139 1.00 0.00 C ATOM 944 O ARG A 61 -1.534 5.686 -5.257 1.00 0.00 O ATOM 945 CB ARG A 61 -3.962 7.350 -6.321 1.00 0.00 C ATOM 946 CG ARG A 61 -5.424 7.701 -6.553 1.00 0.00 C ATOM 947 CD ARG A 61 -5.594 9.158 -6.952 1.00 0.00 C ATOM 948 NE ARG A 61 -6.121 9.967 -5.856 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.027 11.294 -5.801 1.00 0.00 C ATOM 950 NH1 ARG A 61 -5.426 11.965 -6.776 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.535 11.952 -4.768 1.00 0.00 N ATOM 0 H ARG A 61 -2.956 8.567 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.642 6.305 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.364 8.259 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.626 6.687 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.833 7.059 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.995 7.503 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.633 9.561 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.267 9.224 -7.807 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.589 9.487 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.033 11.464 -7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.357 12.982 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.998 11.442 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.463 12.969 -4.726 1.00 0.00 H new ATOM 965 N MET A 62 -3.297 4.285 -5.152 1.00 0.00 N ATOM 966 CA MET A 62 -2.485 3.070 -5.292 1.00 0.00 C ATOM 967 C MET A 62 -1.290 3.312 -6.197 1.00 0.00 C ATOM 968 O MET A 62 -0.174 3.526 -5.720 1.00 0.00 O ATOM 969 CB MET A 62 -3.322 1.911 -5.815 1.00 0.00 C ATOM 970 CG MET A 62 -3.082 0.624 -5.044 1.00 0.00 C ATOM 971 SD MET A 62 -3.642 0.723 -3.333 1.00 0.00 S ATOM 972 CE MET A 62 -4.868 -0.583 -3.297 1.00 0.00 C ATOM 0 H MET A 62 -4.299 4.115 -5.068 1.00 0.00 H new ATOM 0 HA MET A 62 -2.114 2.805 -4.302 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.378 2.174 -5.756 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.093 1.748 -6.868 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.598 -0.196 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.018 0.388 -5.061 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.855 -1.068 -2.321 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.856 -0.160 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.640 -1.317 -4.070 1.00 0.00 H new ATOM 982 N PHE A 63 -1.523 3.301 -7.499 1.00 0.00 N ATOM 983 CA PHE A 63 -0.436 3.542 -8.445 1.00 0.00 C ATOM 984 C PHE A 63 0.301 4.832 -8.109 1.00 0.00 C ATOM 985 O PHE A 63 1.516 4.909 -8.257 1.00 0.00 O ATOM 986 CB PHE A 63 -0.933 3.648 -9.889 1.00 0.00 C ATOM 987 CG PHE A 63 -2.167 2.865 -10.199 1.00 0.00 C ATOM 988 CD1 PHE A 63 -2.358 1.599 -9.681 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.130 3.403 -11.029 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.495 0.879 -9.987 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.269 2.691 -11.340 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.452 1.425 -10.821 1.00 0.00 C ATOM 0 H PHE A 63 -2.435 3.132 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 63 0.232 2.685 -8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.122 4.697 -10.114 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.136 3.318 -10.555 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.611 1.169 -9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.990 4.392 -11.439 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.637 -0.109 -9.575 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.017 3.123 -11.989 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.341 0.863 -11.066 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.432 5.853 -7.655 1.00 0.00 N ATOM 1003 CA ASP A 64 0.193 7.128 -7.328 1.00 0.00 C ATOM 1004 C ASP A 64 1.374 6.907 -6.401 1.00 0.00 C ATOM 1005 O ASP A 64 2.439 7.500 -6.574 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.810 8.088 -6.688 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.449 9.016 -7.704 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.248 10.243 -7.595 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -2.150 8.513 -8.608 1.00 0.00 O ATOM 0 H ASP A 64 -1.441 5.819 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 64 0.546 7.580 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.588 7.514 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.306 8.681 -5.925 1.00 0.00 H new ATOM 1014 N VAL A 65 1.180 6.024 -5.436 1.00 0.00 N ATOM 1015 CA VAL A 65 2.229 5.685 -4.494 1.00 0.00 C ATOM 1016 C VAL A 65 3.200 4.710 -5.137 1.00 0.00 C ATOM 1017 O VAL A 65 4.381 4.680 -4.804 1.00 0.00 O ATOM 1018 CB VAL A 65 1.666 5.024 -3.217 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.658 5.147 -2.073 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.315 5.613 -2.833 1.00 0.00 C ATOM 0 H VAL A 65 0.301 5.528 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 65 2.728 6.615 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 65 1.512 3.966 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.245 4.676 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.591 4.653 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.851 6.200 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.051 5.125 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.423 6.682 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.395 5.455 -3.645 1.00 0.00 H new ATOM 1030 N LEU A 66 2.671 3.902 -6.052 1.00 0.00 N ATOM 1031 CA LEU A 66 3.453 2.887 -6.739 1.00 0.00 C ATOM 1032 C LEU A 66 4.234 3.455 -7.925 1.00 0.00 C ATOM 1033 O LEU A 66 4.940 2.722 -8.618 1.00 0.00 O ATOM 1034 CB LEU A 66 2.513 1.767 -7.188 1.00 0.00 C ATOM 1035 CG LEU A 66 2.560 0.511 -6.316 1.00 0.00 C ATOM 1036 CD1 LEU A 66 1.476 -0.475 -6.726 1.00 0.00 C ATOM 1037 CD2 LEU A 66 3.937 -0.132 -6.384 1.00 0.00 C ATOM 0 H LEU A 66 1.692 3.935 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 66 4.198 2.495 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.492 2.149 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.760 1.492 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 66 2.371 0.803 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.530 -1.360 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.498 -0.007 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.623 -0.765 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.953 -1.024 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.159 -0.408 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.687 0.575 -6.028 1.00 0.00 H new ATOM 1049 N GLN A 67 4.109 4.757 -8.155 1.00 0.00 N ATOM 1050 CA GLN A 67 4.807 5.409 -9.256 1.00 0.00 C ATOM 1051 C GLN A 67 6.084 6.090 -8.768 1.00 0.00 C ATOM 1052 O GLN A 67 7.016 6.305 -9.544 1.00 0.00 O ATOM 1053 CB GLN A 67 3.895 6.438 -9.928 1.00 0.00 C ATOM 1054 CG GLN A 67 4.097 6.538 -11.431 1.00 0.00 C ATOM 1055 CD GLN A 67 4.370 7.957 -11.892 1.00 0.00 C ATOM 1056 OE1 GLN A 67 3.506 8.609 -12.478 1.00 0.00 O ATOM 1057 NE2 GLN A 67 5.577 8.443 -11.626 1.00 0.00 N ATOM 0 H GLN A 67 3.531 5.382 -7.593 1.00 0.00 H new ATOM 0 HA GLN A 67 5.080 4.643 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.856 6.178 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.072 7.416 -9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.929 5.898 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.210 6.160 -11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.263 7.867 -11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.818 9.392 -11.910 1.00 0.00 H new ATOM 1066 N ARG A 68 6.122 6.430 -7.482 1.00 0.00 N ATOM 1067 CA ARG A 68 7.286 7.090 -6.904 1.00 0.00 C ATOM 1068 C ARG A 68 8.431 6.102 -6.696 1.00 0.00 C ATOM 1069 O ARG A 68 9.602 6.474 -6.765 1.00 0.00 O ATOM 1070 CB ARG A 68 6.921 7.751 -5.574 1.00 0.00 C ATOM 1071 CG ARG A 68 6.395 6.778 -4.533 1.00 0.00 C ATOM 1072 CD ARG A 68 7.317 6.703 -3.328 1.00 0.00 C ATOM 1073 NE ARG A 68 6.886 7.590 -2.249 1.00 0.00 N ATOM 1074 CZ ARG A 68 7.421 8.786 -2.005 1.00 0.00 C ATOM 1075 NH1 ARG A 68 8.406 9.255 -2.762 1.00 0.00 N ATOM 1076 NH2 ARG A 68 6.965 9.520 -0.999 1.00 0.00 N ATOM 0 H ARG A 68 5.362 6.259 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 68 7.616 7.857 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.801 8.255 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.168 8.519 -5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.400 7.088 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.293 5.788 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.351 5.677 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.330 6.967 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 68 6.128 7.274 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.761 8.698 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.808 10.172 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.207 9.169 -0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.373 10.436 -0.810 1.00 0.00 H new ATOM 1090 N PHE A 69 8.088 4.840 -6.451 1.00 0.00 N ATOM 1091 CA PHE A 69 9.096 3.805 -6.247 1.00 0.00 C ATOM 1092 C PHE A 69 10.014 3.708 -7.460 1.00 0.00 C ATOM 1093 O PHE A 69 11.178 3.325 -7.345 1.00 0.00 O ATOM 1094 CB PHE A 69 8.435 2.447 -5.996 1.00 0.00 C ATOM 1095 CG PHE A 69 7.611 2.379 -4.738 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.167 1.940 -3.548 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.275 2.733 -4.753 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.407 1.856 -2.395 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.510 2.654 -3.606 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.075 2.216 -2.430 1.00 0.00 C ATOM 0 H PHE A 69 7.124 4.511 -6.389 1.00 0.00 H new ATOM 0 HA PHE A 69 9.686 4.079 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.798 2.204 -6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.210 1.682 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.209 1.659 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.824 3.075 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.853 1.511 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.468 2.936 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.476 2.154 -1.534 1.00 0.00 H new ATOM 1110 N GLY A 70 9.479 4.054 -8.627 1.00 0.00 N ATOM 1111 CA GLY A 70 10.259 3.997 -9.850 1.00 0.00 C ATOM 1112 C GLY A 70 9.658 3.053 -10.871 1.00 0.00 C ATOM 1113 O GLY A 70 8.454 3.088 -11.126 1.00 0.00 O ATOM 0 H GLY A 70 8.518 4.373 -8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.330 4.996 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.275 3.677 -9.616 1.00 0.00 H new ATOM 1117 N SER A 71 10.496 2.203 -11.455 1.00 0.00 N ATOM 1118 CA SER A 71 10.039 1.242 -12.453 1.00 0.00 C ATOM 1119 C SER A 71 9.640 -0.076 -11.796 1.00 0.00 C ATOM 1120 O SER A 71 8.830 -0.829 -12.337 1.00 0.00 O ATOM 1121 CB SER A 71 11.133 0.995 -13.494 1.00 0.00 C ATOM 1122 OG SER A 71 11.021 1.903 -14.576 1.00 0.00 O ATOM 0 H SER A 71 11.495 2.160 -11.255 1.00 0.00 H new ATOM 0 HA SER A 71 9.163 1.661 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.113 1.099 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.063 -0.028 -13.864 1.00 0.00 H new ATOM 0 HG SER A 71 11.732 1.726 -15.227 1.00 0.00 H new ATOM 1128 N GLN A 72 10.212 -0.349 -10.627 1.00 0.00 N ATOM 1129 CA GLN A 72 9.917 -1.577 -9.898 1.00 0.00 C ATOM 1130 C GLN A 72 8.732 -1.382 -8.956 1.00 0.00 C ATOM 1131 O GLN A 72 8.908 -1.048 -7.785 1.00 0.00 O ATOM 1132 CB GLN A 72 11.148 -2.031 -9.109 1.00 0.00 C ATOM 1133 CG GLN A 72 11.556 -3.467 -9.391 1.00 0.00 C ATOM 1134 CD GLN A 72 12.015 -3.671 -10.822 1.00 0.00 C ATOM 1135 OE1 GLN A 72 11.243 -4.101 -11.678 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.280 -3.364 -11.087 1.00 0.00 N ATOM 0 H GLN A 72 10.883 0.265 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 72 9.654 -2.348 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.984 -1.372 -9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.947 -1.922 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.359 -3.753 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.714 -4.127 -9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.885 -3.010 -10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.646 -3.482 -12.032 1.00 0.00 H new ATOM 1145 N ARG A 73 7.527 -1.597 -9.475 1.00 0.00 N ATOM 1146 CA ARG A 73 6.315 -1.447 -8.675 1.00 0.00 C ATOM 1147 C ARG A 73 6.021 -2.721 -7.886 1.00 0.00 C ATOM 1148 O ARG A 73 5.356 -2.680 -6.851 1.00 0.00 O ATOM 1149 CB ARG A 73 5.121 -1.097 -9.566 1.00 0.00 C ATOM 1150 CG ARG A 73 5.003 -1.971 -10.805 1.00 0.00 C ATOM 1151 CD ARG A 73 5.268 -1.179 -12.076 1.00 0.00 C ATOM 1152 NE ARG A 73 4.311 -0.085 -12.246 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.651 1.198 -12.366 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.926 1.568 -12.347 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.707 2.119 -12.509 1.00 0.00 N ATOM 0 H ARG A 73 7.363 -1.875 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 73 6.479 -0.632 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.205 -1.186 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.203 -0.055 -9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.710 -2.798 -10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.005 -2.408 -10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.280 -0.775 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.215 -1.845 -12.937 1.00 0.00 H new ATOM 0 HE ARG A 73 3.319 -0.320 -12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.659 0.867 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.173 2.553 -12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.725 1.844 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.963 3.102 -12.601 1.00 0.00 H new ATOM 1169 N ASN A 74 6.525 -3.850 -8.376 1.00 0.00 N ATOM 1170 CA ASN A 74 6.318 -5.131 -7.710 1.00 0.00 C ATOM 1171 C ASN A 74 7.465 -5.446 -6.748 1.00 0.00 C ATOM 1172 O ASN A 74 7.637 -6.590 -6.328 1.00 0.00 O ATOM 1173 CB ASN A 74 6.182 -6.250 -8.744 1.00 0.00 C ATOM 1174 CG ASN A 74 4.737 -6.519 -9.117 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.933 -5.594 -9.240 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.399 -7.790 -9.297 1.00 0.00 N ATOM 0 H ASN A 74 7.079 -3.903 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 74 5.397 -5.063 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.742 -5.983 -9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.628 -7.163 -8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.440 -8.032 -9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.098 -8.524 -9.185 1.00 0.00 H new ATOM 1183 N GLU A 75 8.242 -4.423 -6.401 1.00 0.00 N ATOM 1184 CA GLU A 75 9.368 -4.586 -5.487 1.00 0.00 C ATOM 1185 C GLU A 75 9.091 -3.904 -4.149 1.00 0.00 C ATOM 1186 O GLU A 75 9.842 -4.075 -3.189 1.00 0.00 O ATOM 1187 CB GLU A 75 10.637 -3.993 -6.102 1.00 0.00 C ATOM 1188 CG GLU A 75 11.911 -4.701 -5.674 1.00 0.00 C ATOM 1189 CD GLU A 75 12.293 -5.831 -6.611 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.527 -6.813 -6.698 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.358 -5.732 -7.257 1.00 0.00 O ATOM 0 H GLU A 75 8.111 -3.470 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 75 9.507 -5.653 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.557 -4.033 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.706 -2.941 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.726 -3.979 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.781 -5.097 -4.667 1.00 0.00 H new ATOM 1198 N VAL A 76 8.016 -3.123 -4.100 1.00 0.00 N ATOM 1199 CA VAL A 76 7.643 -2.397 -2.887 1.00 0.00 C ATOM 1200 C VAL A 76 6.645 -3.178 -2.047 1.00 0.00 C ATOM 1201 O VAL A 76 5.908 -4.026 -2.551 1.00 0.00 O ATOM 1202 CB VAL A 76 7.041 -1.004 -3.206 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.711 -0.862 -4.685 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.808 -0.707 -2.344 1.00 0.00 C ATOM 0 H VAL A 76 7.385 -2.975 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 76 8.566 -2.266 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 76 7.805 -0.266 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.291 0.127 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.619 -0.987 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.986 -1.624 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.416 0.278 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.043 -1.461 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.087 -0.726 -1.291 1.00 0.00 H new ATOM 1214 N ARG A 77 6.601 -2.836 -0.770 1.00 0.00 N ATOM 1215 CA ARG A 77 5.667 -3.443 0.158 1.00 0.00 C ATOM 1216 C ARG A 77 4.907 -2.346 0.886 1.00 0.00 C ATOM 1217 O ARG A 77 5.468 -1.298 1.197 1.00 0.00 O ATOM 1218 CB ARG A 77 6.394 -4.346 1.153 1.00 0.00 C ATOM 1219 CG ARG A 77 6.570 -5.774 0.657 1.00 0.00 C ATOM 1220 CD ARG A 77 8.031 -6.106 0.397 1.00 0.00 C ATOM 1221 NE ARG A 77 8.204 -7.482 -0.059 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.337 -7.958 -0.570 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.400 -7.173 -0.690 1.00 0.00 N ATOM 1224 NH2 ARG A 77 9.407 -9.223 -0.962 1.00 0.00 N ATOM 0 H ARG A 77 7.210 -2.133 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 77 4.965 -4.065 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.374 -3.921 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.839 -4.361 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.165 -6.467 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.997 -5.914 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.431 -5.422 -0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.606 -5.951 1.310 1.00 0.00 H new ATOM 0 HE ARG A 77 7.409 -8.116 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.351 -6.199 -0.390 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.266 -7.543 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.593 -9.831 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.275 -9.588 -1.354 1.00 0.00 H new ATOM 1238 N PHE A 78 3.631 -2.584 1.146 1.00 0.00 N ATOM 1239 CA PHE A 78 2.805 -1.620 1.844 1.00 0.00 C ATOM 1240 C PHE A 78 2.462 -2.191 3.207 1.00 0.00 C ATOM 1241 O PHE A 78 2.223 -3.384 3.328 1.00 0.00 O ATOM 1242 CB PHE A 78 1.574 -1.282 1.010 1.00 0.00 C ATOM 1243 CG PHE A 78 1.937 -0.532 -0.238 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.047 0.849 -0.224 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.179 -1.208 -1.422 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.392 1.542 -1.370 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.523 -0.521 -2.571 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.629 0.855 -2.545 1.00 0.00 C ATOM 0 H PHE A 78 3.146 -3.441 0.881 1.00 0.00 H new ATOM 0 HA PHE A 78 3.336 -0.680 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.052 -2.201 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.884 -0.685 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.861 1.390 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.098 -2.285 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.476 2.618 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.709 -1.060 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.897 1.394 -3.442 1.00 0.00 H new ATOM 1258 N PHE A 79 2.538 -1.364 4.241 1.00 0.00 N ATOM 1259 CA PHE A 79 2.316 -1.841 5.607 1.00 0.00 C ATOM 1260 C PHE A 79 1.566 -0.818 6.448 1.00 0.00 C ATOM 1261 O PHE A 79 1.836 0.377 6.365 1.00 0.00 O ATOM 1262 CB PHE A 79 3.680 -2.162 6.241 1.00 0.00 C ATOM 1263 CG PHE A 79 4.800 -2.121 5.234 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.079 -0.945 4.558 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.532 -3.255 4.925 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.063 -0.892 3.598 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.528 -3.209 3.971 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.793 -2.029 3.308 1.00 0.00 C ATOM 0 H PHE A 79 2.749 -0.369 4.166 1.00 0.00 H new ATOM 0 HA PHE A 79 1.696 -2.737 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.885 -1.448 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.642 -3.150 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.514 -0.054 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.322 -4.183 5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.263 0.031 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.100 -4.097 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.572 -1.994 2.561 1.00 0.00 H new ATOM 1278 N LEU A 80 0.625 -1.285 7.265 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.137 -0.368 8.105 1.00 0.00 C ATOM 1280 C LEU A 80 0.496 -0.210 9.482 1.00 0.00 C ATOM 1281 O LEU A 80 0.799 -1.193 10.157 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.585 -0.831 8.241 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.616 0.263 7.981 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.683 0.580 6.496 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -3.980 -0.147 8.510 1.00 0.00 C ATOM 0 H LEU A 80 0.376 -2.269 7.362 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.124 0.606 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.759 -1.652 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.736 -1.226 9.246 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.308 1.164 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.422 1.362 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.707 0.922 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.968 -0.316 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.700 0.648 8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.304 -1.061 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.916 -0.322 9.584 1.00 0.00 H new ATOM 1297 N ARG A 81 0.688 1.043 9.892 1.00 0.00 N ATOM 1298 CA ARG A 81 1.281 1.339 11.191 1.00 0.00 C ATOM 1299 C ARG A 81 0.226 1.854 12.165 1.00 0.00 C ATOM 1300 O ARG A 81 -0.355 2.919 11.961 1.00 0.00 O ATOM 1301 CB ARG A 81 2.400 2.373 11.042 1.00 0.00 C ATOM 1302 CG ARG A 81 3.440 1.996 9.997 1.00 0.00 C ATOM 1303 CD ARG A 81 4.856 2.222 10.506 1.00 0.00 C ATOM 1304 NE ARG A 81 5.627 0.981 10.543 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.732 0.816 11.266 1.00 0.00 C ATOM 1306 NH1 ARG A 81 7.199 1.808 12.014 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.372 -0.345 11.242 1.00 0.00 N ATOM 0 H ARG A 81 0.441 1.867 9.343 1.00 0.00 H new ATOM 0 HA ARG A 81 1.700 0.415 11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.962 3.335 10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.894 2.503 12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.315 0.949 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.279 2.585 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.361 2.944 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.818 2.655 11.505 1.00 0.00 H new ATOM 0 HE ARG A 81 5.299 0.195 9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.710 2.703 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.046 1.675 12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.017 -1.111 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.219 -0.472 11.796 1.00 0.00 H new