USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.499 (180deg=-0.18) USER MOD Single : A 2 GLN : amide:sc= -2.78 X(o=-2.8,f=-2.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 120:sc= -0.988 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -119:sc= 0.23 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc=-0.00938 (180deg=-0.309) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.928 K(o=-0.93,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.31 USER MOD Single : A 60 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.6) USER MOD Single : A 62 GLN : amide:sc= -0.371 K(o=-0.37,f=-5.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 25:sc= -0.733 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.245 -5.348 5.339 1.00 0.00 N ATOM 2 CA MET A 1 -12.958 -4.761 6.636 1.00 0.00 C ATOM 3 C MET A 1 -12.137 -3.478 6.489 1.00 0.00 C ATOM 4 O MET A 1 -11.857 -3.042 5.373 1.00 0.00 O ATOM 5 CB MET A 1 -12.185 -5.766 7.493 1.00 0.00 C ATOM 6 CG MET A 1 -10.810 -6.057 6.891 1.00 0.00 C ATOM 7 SD MET A 1 -9.960 -7.283 7.869 1.00 0.00 S ATOM 8 CE MET A 1 -10.647 -8.772 7.165 1.00 0.00 C ATOM 0 H1 MET A 1 -14.274 -5.446 5.222 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.868 -4.734 4.589 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.799 -6.285 5.276 1.00 0.00 H new ATOM 0 HA MET A 1 -13.904 -4.512 7.117 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.068 -5.374 8.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.753 -6.692 7.575 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.921 -6.411 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.221 -5.141 6.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.220 -9.641 7.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.729 -8.772 7.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.412 -8.814 6.101 1.00 0.00 H new ATOM 18 N GLN A 2 -11.773 -2.911 7.630 1.00 0.00 N ATOM 19 CA GLN A 2 -10.990 -1.688 7.641 1.00 0.00 C ATOM 20 C GLN A 2 -9.501 -2.013 7.772 1.00 0.00 C ATOM 21 O GLN A 2 -9.134 -3.039 8.344 1.00 0.00 O ATOM 22 CB GLN A 2 -11.448 -0.754 8.763 1.00 0.00 C ATOM 23 CG GLN A 2 -10.568 0.496 8.829 1.00 0.00 C ATOM 24 CD GLN A 2 -11.062 1.458 9.911 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.481 2.573 9.643 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.992 0.968 11.146 1.00 0.00 N ATOM 0 H GLN A 2 -12.006 -3.276 8.553 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.147 -1.170 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.486 -0.464 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.411 -1.280 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.537 0.209 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.571 0.999 7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.631 0.027 11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.299 1.534 11.937 1.00 0.00 H new ATOM 35 N ILE A 3 -8.683 -1.120 7.235 1.00 0.00 N ATOM 36 CA ILE A 3 -7.242 -1.299 7.286 1.00 0.00 C ATOM 37 C ILE A 3 -6.573 0.052 7.549 1.00 0.00 C ATOM 38 O ILE A 3 -7.158 1.101 7.280 1.00 0.00 O ATOM 39 CB ILE A 3 -6.744 -1.993 6.017 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.234 -1.265 4.763 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.138 -3.472 6.011 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.075 -0.572 4.043 1.00 0.00 C ATOM 0 H ILE A 3 -8.991 -0.270 6.762 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.969 -1.957 8.111 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.655 -1.948 6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.712 -1.976 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.989 -0.528 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.772 -3.942 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.699 -3.969 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.224 -3.560 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.451 -0.062 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.614 0.155 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.334 -1.315 3.748 1.00 0.00 H new ATOM 54 N PHE A 4 -5.358 -0.017 8.072 1.00 0.00 N ATOM 55 CA PHE A 4 -4.604 1.187 8.376 1.00 0.00 C ATOM 56 C PHE A 4 -3.287 1.220 7.597 1.00 0.00 C ATOM 57 O PHE A 4 -2.350 0.493 7.923 1.00 0.00 O ATOM 58 CB PHE A 4 -4.296 1.157 9.873 1.00 0.00 C ATOM 59 CG PHE A 4 -5.454 1.623 10.757 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.668 1.015 10.665 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.271 2.646 11.635 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.743 1.448 11.486 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.346 3.080 12.454 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.559 2.471 12.363 1.00 0.00 C ATOM 0 H PHE A 4 -4.877 -0.889 8.293 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.183 2.068 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.022 0.141 10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.428 1.787 10.067 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.814 0.203 9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.307 3.128 11.709 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.706 0.965 11.414 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.201 3.894 13.149 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.376 2.800 12.988 1.00 0.00 H new ATOM 74 N VAL A 5 -3.259 2.071 6.582 1.00 0.00 N ATOM 75 CA VAL A 5 -2.073 2.210 5.754 1.00 0.00 C ATOM 76 C VAL A 5 -1.234 3.384 6.262 1.00 0.00 C ATOM 77 O VAL A 5 -1.768 4.321 6.855 1.00 0.00 O ATOM 78 CB VAL A 5 -2.475 2.354 4.284 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.007 3.759 3.997 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.304 2.011 3.360 1.00 0.00 C ATOM 0 H VAL A 5 -4.039 2.671 6.314 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.454 1.316 5.822 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.278 1.645 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.286 3.835 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.881 3.951 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.234 4.494 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.616 2.121 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.471 2.685 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.990 0.982 3.537 1.00 0.00 H new ATOM 90 N LYS A 6 0.064 3.295 6.012 1.00 0.00 N ATOM 91 CA LYS A 6 0.980 4.340 6.437 1.00 0.00 C ATOM 92 C LYS A 6 1.453 5.128 5.214 1.00 0.00 C ATOM 93 O LYS A 6 1.563 4.575 4.121 1.00 0.00 O ATOM 94 CB LYS A 6 2.123 3.745 7.264 1.00 0.00 C ATOM 95 CG LYS A 6 2.367 4.567 8.531 1.00 0.00 C ATOM 96 CD LYS A 6 3.602 4.064 9.282 1.00 0.00 C ATOM 97 CE LYS A 6 3.967 5.005 10.431 1.00 0.00 C ATOM 98 NZ LYS A 6 4.773 4.294 11.449 1.00 0.00 N ATOM 0 H LYS A 6 0.503 2.516 5.521 1.00 0.00 H new ATOM 0 HA LYS A 6 0.473 5.046 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.884 2.716 7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.033 3.715 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.499 5.616 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.493 4.509 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.412 3.064 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.443 3.983 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.527 5.858 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.059 5.399 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.012 4.948 12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.226 3.495 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.648 3.939 11.013 1.00 0.00 H new ATOM 112 N THR A 7 1.718 6.406 5.439 1.00 0.00 N ATOM 113 CA THR A 7 2.176 7.275 4.368 1.00 0.00 C ATOM 114 C THR A 7 3.670 7.569 4.522 1.00 0.00 C ATOM 115 O THR A 7 4.256 7.293 5.567 1.00 0.00 O ATOM 116 CB THR A 7 1.305 8.532 4.376 1.00 0.00 C ATOM 117 OG1 THR A 7 1.602 9.154 5.623 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.188 8.211 4.467 1.00 0.00 C ATOM 0 H THR A 7 1.624 6.861 6.347 1.00 0.00 H new ATOM 0 HA THR A 7 2.070 6.795 3.395 1.00 0.00 H new ATOM 0 HB THR A 7 1.497 9.111 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.968 10.049 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.760 9.139 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.483 7.605 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.386 7.660 5.387 1.00 0.00 H new ATOM 126 N LEU A 8 4.242 8.126 3.465 1.00 0.00 N ATOM 127 CA LEU A 8 5.656 8.461 3.469 1.00 0.00 C ATOM 128 C LEU A 8 5.921 9.524 4.537 1.00 0.00 C ATOM 129 O LEU A 8 7.067 9.753 4.919 1.00 0.00 O ATOM 130 CB LEU A 8 6.114 8.870 2.068 1.00 0.00 C ATOM 131 CG LEU A 8 5.704 10.270 1.610 1.00 0.00 C ATOM 132 CD1 LEU A 8 4.192 10.468 1.737 1.00 0.00 C ATOM 133 CD2 LEU A 8 6.489 11.346 2.364 1.00 0.00 C ATOM 0 H LEU A 8 3.752 8.354 2.600 1.00 0.00 H new ATOM 0 HA LEU A 8 6.253 7.588 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.201 8.800 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.722 8.146 1.354 1.00 0.00 H new ATOM 0 HG LEU A 8 5.954 10.370 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.927 11.472 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.676 9.733 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.894 10.340 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.178 12.332 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.294 11.257 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.555 11.216 2.178 1.00 0.00 H new ATOM 145 N THR A 9 4.841 10.146 4.988 1.00 0.00 N ATOM 146 CA THR A 9 4.942 11.179 6.004 1.00 0.00 C ATOM 147 C THR A 9 4.609 10.606 7.383 1.00 0.00 C ATOM 148 O THR A 9 4.198 11.339 8.282 1.00 0.00 O ATOM 149 CB THR A 9 4.031 12.338 5.592 1.00 0.00 C ATOM 150 OG1 THR A 9 4.771 13.019 4.582 1.00 0.00 O ATOM 151 CG2 THR A 9 3.870 13.379 6.702 1.00 0.00 C ATOM 0 H THR A 9 3.892 9.954 4.668 1.00 0.00 H new ATOM 0 HA THR A 9 5.961 11.558 6.082 1.00 0.00 H new ATOM 0 HB THR A 9 3.051 11.949 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.253 13.785 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.215 14.179 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.435 12.907 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.846 13.793 6.957 1.00 0.00 H new ATOM 159 N GLY A 10 4.800 9.301 7.508 1.00 0.00 N ATOM 160 CA GLY A 10 4.526 8.620 8.762 1.00 0.00 C ATOM 161 C GLY A 10 3.100 8.905 9.239 1.00 0.00 C ATOM 162 O GLY A 10 2.783 8.709 10.412 1.00 0.00 O ATOM 0 H GLY A 10 5.142 8.697 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.663 7.546 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.239 8.945 9.520 1.00 0.00 H new ATOM 166 N LYS A 11 2.278 9.363 8.307 1.00 0.00 N ATOM 167 CA LYS A 11 0.894 9.676 8.618 1.00 0.00 C ATOM 168 C LYS A 11 0.057 8.399 8.540 1.00 0.00 C ATOM 169 O LYS A 11 0.381 7.484 7.784 1.00 0.00 O ATOM 170 CB LYS A 11 0.383 10.801 7.714 1.00 0.00 C ATOM 171 CG LYS A 11 -0.882 11.438 8.294 1.00 0.00 C ATOM 172 CD LYS A 11 -0.846 12.961 8.147 1.00 0.00 C ATOM 173 CE LYS A 11 -1.215 13.646 9.464 1.00 0.00 C ATOM 174 NZ LYS A 11 -0.368 14.841 9.681 1.00 0.00 N ATOM 0 H LYS A 11 2.544 9.525 7.336 1.00 0.00 H new ATOM 0 HA LYS A 11 0.809 10.052 9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.157 11.560 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.173 10.407 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.760 11.041 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.977 11.173 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.150 13.277 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.539 13.271 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.266 13.935 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.089 12.948 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.631 15.295 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.632 14.556 9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.509 15.513 8.900 1.00 0.00 H new ATOM 188 N THR A 12 -1.005 8.376 9.335 1.00 0.00 N ATOM 189 CA THR A 12 -1.891 7.225 9.366 1.00 0.00 C ATOM 190 C THR A 12 -3.136 7.487 8.515 1.00 0.00 C ATOM 191 O THR A 12 -3.843 8.470 8.730 1.00 0.00 O ATOM 192 CB THR A 12 -2.210 6.914 10.830 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.035 6.266 11.310 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.306 5.857 10.978 1.00 0.00 C ATOM 0 H THR A 12 -1.271 9.136 9.961 1.00 0.00 H new ATOM 0 HA THR A 12 -1.415 6.347 8.928 1.00 0.00 H new ATOM 0 HB THR A 12 -2.517 7.828 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.154 6.030 12.254 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.494 5.673 12.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.221 6.212 10.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.985 4.931 10.500 1.00 0.00 H new ATOM 202 N ILE A 13 -3.365 6.590 7.567 1.00 0.00 N ATOM 203 CA ILE A 13 -4.512 6.712 6.684 1.00 0.00 C ATOM 204 C ILE A 13 -5.333 5.422 6.741 1.00 0.00 C ATOM 205 O ILE A 13 -4.867 4.366 6.319 1.00 0.00 O ATOM 206 CB ILE A 13 -4.062 7.092 5.271 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.539 8.530 5.231 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.185 6.861 4.258 1.00 0.00 C ATOM 209 CD1 ILE A 13 -4.568 9.504 5.811 1.00 0.00 C ATOM 0 H ILE A 13 -2.776 5.776 7.391 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.164 7.521 7.015 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.235 6.441 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.609 8.599 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.308 8.809 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.840 7.139 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.469 5.809 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.048 7.471 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.172 10.519 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.488 9.451 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.778 9.237 6.847 1.00 0.00 H new ATOM 221 N THR A 14 -6.542 5.552 7.268 1.00 0.00 N ATOM 222 CA THR A 14 -7.434 4.410 7.386 1.00 0.00 C ATOM 223 C THR A 14 -8.397 4.361 6.198 1.00 0.00 C ATOM 224 O THR A 14 -8.893 5.394 5.753 1.00 0.00 O ATOM 225 CB THR A 14 -8.141 4.500 8.739 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.119 4.925 9.638 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.561 3.130 9.273 1.00 0.00 C ATOM 0 H THR A 14 -6.925 6.430 7.618 1.00 0.00 H new ATOM 0 HA THR A 14 -6.881 3.471 7.355 1.00 0.00 H new ATOM 0 HB THR A 14 -9.020 5.138 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.987 4.243 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.058 3.251 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.246 2.659 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.679 2.502 9.397 1.00 0.00 H new ATOM 235 N LEU A 15 -8.633 3.148 5.720 1.00 0.00 N ATOM 236 CA LEU A 15 -9.529 2.950 4.592 1.00 0.00 C ATOM 237 C LEU A 15 -10.407 1.724 4.854 1.00 0.00 C ATOM 238 O LEU A 15 -9.912 0.681 5.277 1.00 0.00 O ATOM 239 CB LEU A 15 -8.736 2.872 3.286 1.00 0.00 C ATOM 240 CG LEU A 15 -9.259 3.730 2.131 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.735 3.436 1.856 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.010 5.216 2.397 1.00 0.00 C ATOM 0 H LEU A 15 -8.220 2.293 6.092 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.198 3.804 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.706 3.164 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.714 1.832 2.959 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.705 3.467 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.082 4.058 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.854 2.385 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.322 3.655 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.391 5.804 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.522 5.512 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.940 5.392 2.506 1.00 0.00 H new ATOM 254 N GLU A 16 -11.694 1.892 4.590 1.00 0.00 N ATOM 255 CA GLU A 16 -12.646 0.812 4.790 1.00 0.00 C ATOM 256 C GLU A 16 -12.980 0.144 3.455 1.00 0.00 C ATOM 257 O GLU A 16 -13.648 0.738 2.610 1.00 0.00 O ATOM 258 CB GLU A 16 -13.912 1.319 5.483 1.00 0.00 C ATOM 259 CG GLU A 16 -14.326 2.686 4.935 1.00 0.00 C ATOM 260 CD GLU A 16 -15.801 2.969 5.226 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.631 2.583 4.375 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.066 3.564 6.293 1.00 0.00 O ATOM 0 H GLU A 16 -12.100 2.759 4.239 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.189 0.067 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.722 0.604 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.739 1.391 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.707 3.464 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.151 2.719 3.860 1.00 0.00 H new ATOM 269 N VAL A 17 -12.501 -1.081 3.306 1.00 0.00 N ATOM 270 CA VAL A 17 -12.741 -1.837 2.089 1.00 0.00 C ATOM 271 C VAL A 17 -13.265 -3.227 2.450 1.00 0.00 C ATOM 272 O VAL A 17 -13.400 -3.557 3.628 1.00 0.00 O ATOM 273 CB VAL A 17 -11.468 -1.879 1.240 1.00 0.00 C ATOM 274 CG1 VAL A 17 -10.877 -0.479 1.066 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.439 -2.838 1.843 1.00 0.00 C ATOM 0 H VAL A 17 -11.947 -1.570 4.009 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.505 -1.351 1.482 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.737 -2.253 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.974 -0.538 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.605 0.164 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.631 -0.064 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.544 -2.849 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.178 -2.507 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.861 -3.842 1.890 1.00 0.00 H new ATOM 285 N GLU A 18 -13.547 -4.006 1.416 1.00 0.00 N ATOM 286 CA GLU A 18 -14.053 -5.354 1.610 1.00 0.00 C ATOM 287 C GLU A 18 -12.973 -6.382 1.269 1.00 0.00 C ATOM 288 O GLU A 18 -12.014 -6.069 0.566 1.00 0.00 O ATOM 289 CB GLU A 18 -15.317 -5.590 0.779 1.00 0.00 C ATOM 290 CG GLU A 18 -16.575 -5.292 1.597 1.00 0.00 C ATOM 291 CD GLU A 18 -17.260 -6.586 2.041 1.00 0.00 C ATOM 292 OE1 GLU A 18 -16.893 -7.080 3.129 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.136 -7.054 1.280 1.00 0.00 O ATOM 0 H GLU A 18 -13.435 -3.729 0.441 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.320 -5.473 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.297 -4.956 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.341 -6.623 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.312 -4.697 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.267 -4.696 1.002 1.00 0.00 H new ATOM 300 N PRO A 19 -13.170 -7.620 1.795 1.00 0.00 N ATOM 301 CA PRO A 19 -12.224 -8.696 1.553 1.00 0.00 C ATOM 302 C PRO A 19 -12.365 -9.241 0.131 1.00 0.00 C ATOM 303 O PRO A 19 -11.490 -9.958 -0.352 1.00 0.00 O ATOM 304 CB PRO A 19 -12.529 -9.735 2.621 1.00 0.00 C ATOM 305 CG PRO A 19 -13.926 -9.416 3.125 1.00 0.00 C ATOM 306 CD PRO A 19 -14.295 -8.027 2.632 1.00 0.00 C ATOM 0 HA PRO A 19 -11.187 -8.367 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.483 -10.743 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.801 -9.688 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.641 -10.153 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.957 -9.455 4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.226 -8.042 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.440 -7.337 3.463 1.00 0.00 H new ATOM 314 N SER A 20 -13.473 -8.881 -0.499 1.00 0.00 N ATOM 315 CA SER A 20 -13.741 -9.324 -1.857 1.00 0.00 C ATOM 316 C SER A 20 -13.149 -8.330 -2.858 1.00 0.00 C ATOM 317 O SER A 20 -12.852 -8.692 -3.996 1.00 0.00 O ATOM 318 CB SER A 20 -15.242 -9.489 -2.096 1.00 0.00 C ATOM 319 OG SER A 20 -15.548 -10.722 -2.741 1.00 0.00 O ATOM 0 H SER A 20 -14.197 -8.287 -0.094 1.00 0.00 H new ATOM 0 HA SER A 20 -13.270 -10.296 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.768 -9.438 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.605 -8.661 -2.705 1.00 0.00 H new ATOM 0 HG SER A 20 -16.517 -10.790 -2.874 1.00 0.00 H new ATOM 325 N ASP A 21 -12.995 -7.097 -2.399 1.00 0.00 N ATOM 326 CA ASP A 21 -12.443 -6.049 -3.241 1.00 0.00 C ATOM 327 C ASP A 21 -10.970 -6.349 -3.525 1.00 0.00 C ATOM 328 O ASP A 21 -10.267 -6.889 -2.671 1.00 0.00 O ATOM 329 CB ASP A 21 -12.522 -4.687 -2.546 1.00 0.00 C ATOM 330 CG ASP A 21 -13.888 -4.344 -1.948 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.846 -5.083 -2.262 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.942 -3.352 -1.190 1.00 0.00 O ATOM 0 H ASP A 21 -13.243 -6.800 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.022 -6.019 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.777 -4.658 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.252 -3.913 -3.265 1.00 0.00 H new ATOM 337 N THR A 22 -10.548 -5.989 -4.727 1.00 0.00 N ATOM 338 CA THR A 22 -9.171 -6.214 -5.135 1.00 0.00 C ATOM 339 C THR A 22 -8.284 -5.055 -4.677 1.00 0.00 C ATOM 340 O THR A 22 -8.780 -4.050 -4.171 1.00 0.00 O ATOM 341 CB THR A 22 -9.156 -6.431 -6.650 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.741 -5.242 -7.176 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.109 -7.542 -7.093 1.00 0.00 C ATOM 0 H THR A 22 -11.135 -5.543 -5.432 1.00 0.00 H new ATOM 0 HA THR A 22 -8.758 -7.105 -4.661 1.00 0.00 H new ATOM 0 HB THR A 22 -8.143 -6.673 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.769 -5.296 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.059 -7.654 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.821 -8.480 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.127 -7.285 -6.802 1.00 0.00 H new ATOM 351 N ILE A 23 -6.984 -5.233 -4.873 1.00 0.00 N ATOM 352 CA ILE A 23 -6.023 -4.215 -4.487 1.00 0.00 C ATOM 353 C ILE A 23 -6.286 -2.940 -5.291 1.00 0.00 C ATOM 354 O ILE A 23 -6.160 -1.835 -4.769 1.00 0.00 O ATOM 355 CB ILE A 23 -4.595 -4.747 -4.625 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.240 -5.672 -3.461 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.594 -3.599 -4.771 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.892 -4.868 -2.206 1.00 0.00 C ATOM 0 H ILE A 23 -6.575 -6.067 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.142 -3.958 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.539 -5.341 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.079 -6.336 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.396 -6.303 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.587 -4.005 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.837 -3.015 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.644 -2.958 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.644 -5.551 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.038 -4.223 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.747 -4.256 -1.917 1.00 0.00 H new ATOM 370 N GLU A 24 -6.646 -3.138 -6.552 1.00 0.00 N ATOM 371 CA GLU A 24 -6.927 -2.018 -7.434 1.00 0.00 C ATOM 372 C GLU A 24 -8.123 -1.220 -6.914 1.00 0.00 C ATOM 373 O GLU A 24 -8.146 0.006 -7.011 1.00 0.00 O ATOM 374 CB GLU A 24 -7.168 -2.497 -8.867 1.00 0.00 C ATOM 375 CG GLU A 24 -6.575 -1.516 -9.880 1.00 0.00 C ATOM 376 CD GLU A 24 -7.656 -0.980 -10.822 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.415 -1.820 -11.350 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.698 0.257 -10.991 1.00 0.00 O ATOM 0 H GLU A 24 -6.749 -4.057 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.056 -1.362 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.722 -3.482 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.238 -2.605 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.102 -0.687 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.796 -2.012 -10.459 1.00 0.00 H new ATOM 385 N ASN A 25 -9.089 -1.947 -6.371 1.00 0.00 N ATOM 386 CA ASN A 25 -10.286 -1.322 -5.835 1.00 0.00 C ATOM 387 C ASN A 25 -9.917 -0.502 -4.597 1.00 0.00 C ATOM 388 O ASN A 25 -10.351 0.640 -4.453 1.00 0.00 O ATOM 389 CB ASN A 25 -11.315 -2.373 -5.416 1.00 0.00 C ATOM 390 CG ASN A 25 -12.619 -2.207 -6.200 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.646 -1.815 -5.670 1.00 0.00 O ATOM 392 ND2 ASN A 25 -12.520 -2.526 -7.487 1.00 0.00 N ATOM 0 H ASN A 25 -9.067 -2.964 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.713 -0.689 -6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.910 -3.371 -5.584 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.515 -2.286 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.335 -2.449 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.629 -2.848 -7.866 1.00 0.00 H new ATOM 399 N VAL A 26 -9.119 -1.116 -3.735 1.00 0.00 N ATOM 400 CA VAL A 26 -8.687 -0.457 -2.515 1.00 0.00 C ATOM 401 C VAL A 26 -7.840 0.766 -2.873 1.00 0.00 C ATOM 402 O VAL A 26 -7.961 1.815 -2.244 1.00 0.00 O ATOM 403 CB VAL A 26 -7.950 -1.453 -1.616 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.461 -0.775 -0.334 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.834 -2.659 -1.295 1.00 0.00 C ATOM 0 H VAL A 26 -8.761 -2.063 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.547 -0.101 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.076 -1.813 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.941 -1.504 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.780 0.037 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.314 -0.374 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.287 -3.351 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.734 -2.323 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.112 -3.163 -2.221 1.00 0.00 H new ATOM 415 N LYS A 27 -7.000 0.589 -3.883 1.00 0.00 N ATOM 416 CA LYS A 27 -6.134 1.665 -4.333 1.00 0.00 C ATOM 417 C LYS A 27 -6.988 2.789 -4.924 1.00 0.00 C ATOM 418 O LYS A 27 -6.736 3.965 -4.666 1.00 0.00 O ATOM 419 CB LYS A 27 -5.070 1.130 -5.293 1.00 0.00 C ATOM 420 CG LYS A 27 -3.776 0.796 -4.549 1.00 0.00 C ATOM 421 CD LYS A 27 -3.260 -0.590 -4.941 1.00 0.00 C ATOM 422 CE LYS A 27 -2.269 -0.496 -6.103 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.241 -1.556 -5.994 1.00 0.00 N ATOM 0 H LYS A 27 -6.901 -0.284 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.586 2.090 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.445 0.238 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.868 1.871 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.019 1.547 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.951 0.832 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.777 -1.059 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.098 -1.228 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.800 -0.592 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.791 0.484 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.445 -1.334 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.901 -1.610 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.655 -2.470 -6.268 1.00 0.00 H new ATOM 437 N ALA A 28 -7.979 2.387 -5.705 1.00 0.00 N ATOM 438 CA ALA A 28 -8.871 3.346 -6.334 1.00 0.00 C ATOM 439 C ALA A 28 -9.570 4.172 -5.252 1.00 0.00 C ATOM 440 O ALA A 28 -9.776 5.373 -5.420 1.00 0.00 O ATOM 441 CB ALA A 28 -9.862 2.606 -7.235 1.00 0.00 C ATOM 0 H ALA A 28 -8.184 1.411 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.310 4.036 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.531 3.325 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.316 2.059 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.445 1.906 -6.637 1.00 0.00 H new ATOM 447 N LYS A 29 -9.917 3.495 -4.168 1.00 0.00 N ATOM 448 CA LYS A 29 -10.588 4.152 -3.059 1.00 0.00 C ATOM 449 C LYS A 29 -9.640 5.172 -2.426 1.00 0.00 C ATOM 450 O LYS A 29 -10.034 6.304 -2.153 1.00 0.00 O ATOM 451 CB LYS A 29 -11.127 3.116 -2.070 1.00 0.00 C ATOM 452 CG LYS A 29 -12.578 3.420 -1.692 1.00 0.00 C ATOM 453 CD LYS A 29 -13.155 2.320 -0.799 1.00 0.00 C ATOM 454 CE LYS A 29 -14.312 2.853 0.048 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.609 2.393 -0.498 1.00 0.00 N ATOM 0 H LYS A 29 -9.746 2.498 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.459 4.704 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.063 2.121 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.508 3.108 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.629 4.378 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.181 3.513 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.503 1.491 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.374 1.928 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.203 2.513 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.285 3.942 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.384 2.764 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.717 2.738 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.638 1.353 -0.494 1.00 0.00 H new ATOM 469 N ILE A 30 -8.408 4.733 -2.210 1.00 0.00 N ATOM 470 CA ILE A 30 -7.401 5.594 -1.614 1.00 0.00 C ATOM 471 C ILE A 30 -7.132 6.778 -2.545 1.00 0.00 C ATOM 472 O ILE A 30 -6.888 7.892 -2.085 1.00 0.00 O ATOM 473 CB ILE A 30 -6.148 4.789 -1.264 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.477 3.659 -0.285 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.041 5.703 -0.733 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.515 2.484 -0.463 1.00 0.00 C ATOM 0 H ILE A 30 -8.085 3.793 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.761 6.006 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.774 4.325 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.418 4.030 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.502 3.322 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.161 5.106 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.782 6.440 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.390 6.214 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.770 1.695 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.594 2.100 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.494 2.819 -0.280 1.00 0.00 H new ATOM 488 N GLN A 31 -7.186 6.496 -3.839 1.00 0.00 N ATOM 489 CA GLN A 31 -6.951 7.523 -4.839 1.00 0.00 C ATOM 490 C GLN A 31 -8.051 8.585 -4.778 1.00 0.00 C ATOM 491 O GLN A 31 -7.770 9.764 -4.572 1.00 0.00 O ATOM 492 CB GLN A 31 -6.855 6.913 -6.239 1.00 0.00 C ATOM 493 CG GLN A 31 -6.749 8.004 -7.306 1.00 0.00 C ATOM 494 CD GLN A 31 -7.738 7.754 -8.446 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.895 8.139 -8.395 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.222 7.088 -9.475 1.00 0.00 N ATOM 0 H GLN A 31 -7.389 5.571 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.997 8.003 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.985 6.258 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.732 6.295 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.945 8.977 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.733 8.034 -7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.245 6.794 -9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.803 6.871 -10.285 1.00 0.00 H new ATOM 505 N ASP A 32 -9.281 8.128 -4.962 1.00 0.00 N ATOM 506 CA ASP A 32 -10.425 9.023 -4.929 1.00 0.00 C ATOM 507 C ASP A 32 -10.391 9.841 -3.636 1.00 0.00 C ATOM 508 O ASP A 32 -10.824 10.992 -3.614 1.00 0.00 O ATOM 509 CB ASP A 32 -11.739 8.241 -4.960 1.00 0.00 C ATOM 510 CG ASP A 32 -12.818 8.824 -5.874 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.077 10.040 -5.741 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.360 8.041 -6.684 1.00 0.00 O ATOM 0 H ASP A 32 -9.510 7.149 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.371 9.670 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.529 7.220 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.135 8.185 -3.946 1.00 0.00 H new ATOM 517 N LYS A 33 -9.873 9.213 -2.590 1.00 0.00 N ATOM 518 CA LYS A 33 -9.778 9.868 -1.297 1.00 0.00 C ATOM 519 C LYS A 33 -8.547 10.778 -1.281 1.00 0.00 C ATOM 520 O LYS A 33 -8.671 11.996 -1.400 1.00 0.00 O ATOM 521 CB LYS A 33 -9.791 8.833 -0.170 1.00 0.00 C ATOM 522 CG LYS A 33 -10.911 9.127 0.830 1.00 0.00 C ATOM 523 CD LYS A 33 -12.074 8.147 0.654 1.00 0.00 C ATOM 524 CE LYS A 33 -13.403 8.893 0.516 1.00 0.00 C ATOM 525 NZ LYS A 33 -14.537 7.993 0.823 1.00 0.00 N ATOM 0 H LYS A 33 -9.515 8.258 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.648 10.503 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.925 7.836 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.830 8.837 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.523 9.058 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.267 10.148 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.905 7.531 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.118 7.472 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.418 9.749 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.504 9.283 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.431 8.515 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.531 7.189 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.447 7.641 1.798 1.00 0.00 H new ATOM 539 N GLU A 34 -7.390 10.152 -1.132 1.00 0.00 N ATOM 540 CA GLU A 34 -6.139 10.890 -1.099 1.00 0.00 C ATOM 541 C GLU A 34 -5.956 11.683 -2.394 1.00 0.00 C ATOM 542 O GLU A 34 -5.878 12.911 -2.369 1.00 0.00 O ATOM 543 CB GLU A 34 -4.954 9.952 -0.858 1.00 0.00 C ATOM 544 CG GLU A 34 -4.114 10.423 0.330 1.00 0.00 C ATOM 545 CD GLU A 34 -3.203 11.587 -0.070 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.668 12.420 -0.877 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.062 11.614 0.440 1.00 0.00 O ATOM 0 H GLU A 34 -7.292 9.142 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.177 11.594 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.318 8.941 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.333 9.908 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.770 10.733 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.511 9.596 0.704 1.00 0.00 H new ATOM 554 N GLY A 35 -5.891 10.950 -3.496 1.00 0.00 N ATOM 555 CA GLY A 35 -5.719 11.570 -4.799 1.00 0.00 C ATOM 556 C GLY A 35 -4.463 11.042 -5.495 1.00 0.00 C ATOM 557 O GLY A 35 -4.043 11.581 -6.518 1.00 0.00 O ATOM 0 H GLY A 35 -5.954 9.932 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.593 11.371 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.648 12.652 -4.685 1.00 0.00 H new ATOM 561 N ILE A 36 -3.897 9.996 -4.911 1.00 0.00 N ATOM 562 CA ILE A 36 -2.697 9.390 -5.463 1.00 0.00 C ATOM 563 C ILE A 36 -3.093 8.334 -6.497 1.00 0.00 C ATOM 564 O ILE A 36 -4.082 7.625 -6.318 1.00 0.00 O ATOM 565 CB ILE A 36 -1.805 8.850 -4.342 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.304 9.984 -3.446 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.656 8.016 -4.910 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.250 9.543 -1.982 1.00 0.00 C ATOM 0 H ILE A 36 -4.247 9.553 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.098 10.137 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.404 8.188 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.312 10.298 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.961 10.848 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.038 7.644 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.061 7.174 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.050 8.635 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.891 10.368 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.248 9.252 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.573 8.694 -1.882 1.00 0.00 H new ATOM 580 N PRO A 37 -2.278 8.260 -7.583 1.00 0.00 N ATOM 581 CA PRO A 37 -2.534 7.302 -8.646 1.00 0.00 C ATOM 582 C PRO A 37 -2.144 5.887 -8.214 1.00 0.00 C ATOM 583 O PRO A 37 -1.339 5.712 -7.300 1.00 0.00 O ATOM 584 CB PRO A 37 -1.726 7.805 -9.831 1.00 0.00 C ATOM 585 CG PRO A 37 -0.690 8.757 -9.257 1.00 0.00 C ATOM 586 CD PRO A 37 -1.098 9.083 -7.829 1.00 0.00 C ATOM 0 HA PRO A 37 -3.591 7.231 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.248 6.978 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.366 8.313 -10.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.300 8.301 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.634 9.666 -9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.299 8.849 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.324 10.143 -7.714 1.00 0.00 H new ATOM 594 N PRO A 38 -2.748 4.886 -8.909 1.00 0.00 N ATOM 595 CA PRO A 38 -2.472 3.493 -8.608 1.00 0.00 C ATOM 596 C PRO A 38 -1.098 3.078 -9.138 1.00 0.00 C ATOM 597 O PRO A 38 -0.478 2.155 -8.612 1.00 0.00 O ATOM 598 CB PRO A 38 -3.613 2.718 -9.245 1.00 0.00 C ATOM 599 CG PRO A 38 -4.231 3.656 -10.271 1.00 0.00 C ATOM 600 CD PRO A 38 -3.706 5.056 -9.997 1.00 0.00 C ATOM 0 HA PRO A 38 -2.425 3.297 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.250 1.806 -9.718 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.347 2.418 -8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.971 3.341 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.319 3.635 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.230 5.481 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.512 5.733 -9.713 1.00 0.00 H new ATOM 608 N ASP A 39 -0.661 3.782 -10.172 1.00 0.00 N ATOM 609 CA ASP A 39 0.628 3.498 -10.780 1.00 0.00 C ATOM 610 C ASP A 39 1.742 3.888 -9.807 1.00 0.00 C ATOM 611 O ASP A 39 2.751 3.193 -9.702 1.00 0.00 O ATOM 612 CB ASP A 39 0.820 4.305 -12.066 1.00 0.00 C ATOM 613 CG ASP A 39 0.180 3.693 -13.314 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.398 2.594 -13.175 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.284 4.340 -14.379 1.00 0.00 O ATOM 0 H ASP A 39 -1.177 4.549 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 39 0.664 2.434 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.407 5.303 -11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.888 4.426 -12.246 1.00 0.00 H new ATOM 620 N GLN A 40 1.522 5.000 -9.119 1.00 0.00 N ATOM 621 CA GLN A 40 2.495 5.490 -8.157 1.00 0.00 C ATOM 622 C GLN A 40 2.185 4.943 -6.763 1.00 0.00 C ATOM 623 O GLN A 40 2.830 5.322 -5.786 1.00 0.00 O ATOM 624 CB GLN A 40 2.535 7.019 -8.151 1.00 0.00 C ATOM 625 CG GLN A 40 3.975 7.528 -8.063 1.00 0.00 C ATOM 626 CD GLN A 40 4.258 8.566 -9.151 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.717 9.661 -9.157 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.132 8.164 -10.070 1.00 0.00 N ATOM 0 H GLN A 40 0.684 5.575 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 40 3.482 5.134 -8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.064 7.402 -9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.959 7.398 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.149 7.968 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.667 6.692 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.548 7.235 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.386 8.785 -10.838 1.00 0.00 H new ATOM 637 N GLN A 41 1.197 4.061 -6.714 1.00 0.00 N ATOM 638 CA GLN A 41 0.793 3.460 -5.454 1.00 0.00 C ATOM 639 C GLN A 41 1.524 2.132 -5.242 1.00 0.00 C ATOM 640 O GLN A 41 1.511 1.267 -6.118 1.00 0.00 O ATOM 641 CB GLN A 41 -0.723 3.266 -5.399 1.00 0.00 C ATOM 642 CG GLN A 41 -1.282 3.688 -4.039 1.00 0.00 C ATOM 643 CD GLN A 41 -2.695 4.258 -4.179 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.277 4.287 -5.251 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.211 4.708 -3.039 1.00 0.00 N ATOM 0 H GLN A 41 0.665 3.748 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 41 1.068 4.138 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.197 3.850 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.966 2.220 -5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.297 2.831 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.628 4.435 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.669 4.653 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.149 5.108 -3.027 1.00 0.00 H new ATOM 654 N ARG A 42 2.142 2.011 -4.077 1.00 0.00 N ATOM 655 CA ARG A 42 2.876 0.804 -3.740 1.00 0.00 C ATOM 656 C ARG A 42 2.529 0.351 -2.320 1.00 0.00 C ATOM 657 O ARG A 42 3.046 0.896 -1.347 1.00 0.00 O ATOM 658 CB ARG A 42 4.385 1.030 -3.841 1.00 0.00 C ATOM 659 CG ARG A 42 5.103 -0.245 -4.290 1.00 0.00 C ATOM 660 CD ARG A 42 6.603 -0.001 -4.456 1.00 0.00 C ATOM 661 NE ARG A 42 7.229 -1.147 -5.153 1.00 0.00 N ATOM 662 CZ ARG A 42 8.458 -1.122 -5.686 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.202 -0.010 -5.604 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.944 -2.208 -6.300 1.00 0.00 N ATOM 0 H ARG A 42 2.149 2.730 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 42 2.588 0.031 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.589 1.834 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.774 1.349 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.939 -1.036 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.681 -0.591 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.770 0.915 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.067 0.139 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 42 6.691 -2.010 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.833 0.817 -5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.138 0.009 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.379 -3.055 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.880 -2.189 -6.706 1.00 0.00 H new ATOM 678 N LEU A 43 1.655 -0.642 -2.247 1.00 0.00 N ATOM 679 CA LEU A 43 1.233 -1.174 -0.963 1.00 0.00 C ATOM 680 C LEU A 43 2.042 -2.433 -0.647 1.00 0.00 C ATOM 681 O LEU A 43 2.019 -3.398 -1.410 1.00 0.00 O ATOM 682 CB LEU A 43 -0.281 -1.396 -0.946 1.00 0.00 C ATOM 683 CG LEU A 43 -1.122 -0.343 -1.672 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.613 -0.544 -1.393 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.657 1.071 -1.316 1.00 0.00 C ATOM 0 H LEU A 43 1.228 -1.092 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 43 1.436 -0.456 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.491 -2.369 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.610 -1.442 0.092 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.976 -0.469 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.188 0.217 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.918 -1.532 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.797 -0.460 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.271 1.800 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.754 1.226 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.386 1.195 -1.608 1.00 0.00 H new ATOM 697 N ILE A 44 2.738 -2.383 0.480 1.00 0.00 N ATOM 698 CA ILE A 44 3.552 -3.509 0.906 1.00 0.00 C ATOM 699 C ILE A 44 2.902 -4.172 2.121 1.00 0.00 C ATOM 700 O ILE A 44 2.349 -3.492 2.983 1.00 0.00 O ATOM 701 CB ILE A 44 4.996 -3.063 1.149 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.507 -2.206 -0.011 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.904 -4.264 1.417 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.279 -2.906 -1.352 1.00 0.00 C ATOM 0 H ILE A 44 2.755 -1.581 1.110 1.00 0.00 H new ATOM 0 HA ILE A 44 3.602 -4.262 0.120 1.00 0.00 H new ATOM 0 HB ILE A 44 5.015 -2.440 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.997 -1.243 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.570 -2.004 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.924 -3.918 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.551 -4.798 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.886 -4.933 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.651 -2.275 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.810 -3.858 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.213 -3.084 -1.493 1.00 0.00 H new ATOM 716 N PHE A 45 2.990 -5.494 2.150 1.00 0.00 N ATOM 717 CA PHE A 45 2.416 -6.258 3.245 1.00 0.00 C ATOM 718 C PHE A 45 3.181 -7.565 3.461 1.00 0.00 C ATOM 719 O PHE A 45 3.225 -8.417 2.575 1.00 0.00 O ATOM 720 CB PHE A 45 0.973 -6.583 2.856 1.00 0.00 C ATOM 721 CG PHE A 45 0.027 -6.739 4.048 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.293 -7.664 5.011 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.079 -5.955 4.146 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.586 -7.808 6.118 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.958 -6.099 5.253 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.692 -7.023 6.215 1.00 0.00 C ATOM 0 H PHE A 45 3.450 -6.055 1.433 1.00 0.00 H new ATOM 0 HA PHE A 45 2.468 -5.681 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.596 -5.793 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.963 -7.505 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.171 -8.288 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.290 -5.222 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.376 -8.541 6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.836 -5.475 5.330 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.360 -7.133 7.057 1.00 0.00 H new ATOM 736 N ALA A 46 3.765 -7.683 4.645 1.00 0.00 N ATOM 737 CA ALA A 46 4.526 -8.873 4.988 1.00 0.00 C ATOM 738 C ALA A 46 5.648 -9.068 3.968 1.00 0.00 C ATOM 739 O ALA A 46 6.011 -10.199 3.647 1.00 0.00 O ATOM 740 CB ALA A 46 3.585 -10.078 5.058 1.00 0.00 C ATOM 0 H ALA A 46 3.727 -6.975 5.378 1.00 0.00 H new ATOM 0 HA ALA A 46 4.989 -8.763 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.155 -10.971 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.824 -9.902 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.104 -10.221 4.090 1.00 0.00 H new ATOM 746 N GLY A 47 6.167 -7.948 3.485 1.00 0.00 N ATOM 747 CA GLY A 47 7.240 -7.982 2.507 1.00 0.00 C ATOM 748 C GLY A 47 6.715 -8.386 1.128 1.00 0.00 C ATOM 749 O GLY A 47 7.481 -8.489 0.172 1.00 0.00 O ATOM 0 H GLY A 47 5.864 -7.012 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.713 -7.002 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.007 -8.687 2.828 1.00 0.00 H new ATOM 753 N LYS A 48 5.409 -8.606 1.070 1.00 0.00 N ATOM 754 CA LYS A 48 4.771 -8.997 -0.176 1.00 0.00 C ATOM 755 C LYS A 48 4.085 -7.779 -0.798 1.00 0.00 C ATOM 756 O LYS A 48 3.258 -7.133 -0.156 1.00 0.00 O ATOM 757 CB LYS A 48 3.831 -10.183 0.053 1.00 0.00 C ATOM 758 CG LYS A 48 3.097 -10.556 -1.236 1.00 0.00 C ATOM 759 CD LYS A 48 3.438 -11.984 -1.667 1.00 0.00 C ATOM 760 CE LYS A 48 3.174 -12.185 -3.161 1.00 0.00 C ATOM 761 NZ LYS A 48 3.818 -13.428 -3.639 1.00 0.00 N ATOM 0 H LYS A 48 4.776 -8.521 1.865 1.00 0.00 H new ATOM 0 HA LYS A 48 5.515 -9.343 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.401 -11.040 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.107 -9.934 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.021 -10.465 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.369 -9.858 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.485 -12.193 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.844 -12.693 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.100 -12.231 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.556 -11.332 -3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.629 -13.549 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.845 -13.369 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.434 -14.241 -3.116 1.00 0.00 H new ATOM 775 N GLN A 49 4.454 -7.502 -2.040 1.00 0.00 N ATOM 776 CA GLN A 49 3.885 -6.371 -2.755 1.00 0.00 C ATOM 777 C GLN A 49 2.505 -6.735 -3.309 1.00 0.00 C ATOM 778 O GLN A 49 2.361 -7.722 -4.029 1.00 0.00 O ATOM 779 CB GLN A 49 4.818 -5.904 -3.873 1.00 0.00 C ATOM 780 CG GLN A 49 5.102 -7.037 -4.860 1.00 0.00 C ATOM 781 CD GLN A 49 6.602 -7.158 -5.139 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.320 -7.904 -4.494 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.032 -6.387 -6.133 1.00 0.00 N ATOM 0 H GLN A 49 5.140 -8.041 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 49 3.768 -5.544 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.367 -5.063 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.755 -5.547 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.726 -7.978 -4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.569 -6.854 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.377 -5.785 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.017 -6.397 -6.397 1.00 0.00 H new ATOM 792 N LEU A 50 1.525 -5.918 -2.951 1.00 0.00 N ATOM 793 CA LEU A 50 0.162 -6.141 -3.402 1.00 0.00 C ATOM 794 C LEU A 50 0.016 -5.630 -4.836 1.00 0.00 C ATOM 795 O LEU A 50 -0.086 -4.425 -5.063 1.00 0.00 O ATOM 796 CB LEU A 50 -0.836 -5.520 -2.424 1.00 0.00 C ATOM 797 CG LEU A 50 -0.472 -5.623 -0.940 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.445 -4.814 -0.080 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.393 -7.085 -0.495 1.00 0.00 C ATOM 0 H LEU A 50 1.648 -5.100 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.065 -7.207 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.955 -4.466 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.806 -5.995 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 50 0.518 -5.190 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.164 -4.904 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.408 -3.766 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.457 -5.195 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.133 -7.130 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.359 -7.566 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.369 -7.602 -1.078 1.00 0.00 H new ATOM 811 N GLU A 51 0.009 -6.570 -5.770 1.00 0.00 N ATOM 812 CA GLU A 51 -0.124 -6.231 -7.175 1.00 0.00 C ATOM 813 C GLU A 51 -1.599 -6.196 -7.576 1.00 0.00 C ATOM 814 O GLU A 51 -2.367 -7.085 -7.211 1.00 0.00 O ATOM 815 CB GLU A 51 0.660 -7.209 -8.053 1.00 0.00 C ATOM 816 CG GLU A 51 0.960 -6.598 -9.423 1.00 0.00 C ATOM 817 CD GLU A 51 0.264 -7.383 -10.538 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.938 -7.114 -10.754 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.948 -8.232 -11.147 1.00 0.00 O ATOM 0 H GLU A 51 0.094 -7.568 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 51 0.298 -5.238 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.593 -7.479 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.089 -8.129 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.628 -5.560 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.036 -6.592 -9.595 1.00 0.00 H new ATOM 826 N ASP A 52 -1.953 -5.160 -8.323 1.00 0.00 N ATOM 827 CA ASP A 52 -3.323 -4.997 -8.777 1.00 0.00 C ATOM 828 C ASP A 52 -3.819 -6.318 -9.370 1.00 0.00 C ATOM 829 O ASP A 52 -3.392 -6.715 -10.453 1.00 0.00 O ATOM 830 CB ASP A 52 -3.420 -3.925 -9.863 1.00 0.00 C ATOM 831 CG ASP A 52 -2.336 -3.998 -10.942 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.191 -3.611 -10.622 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.678 -4.438 -12.061 1.00 0.00 O ATOM 0 H ASP A 52 -1.314 -4.425 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.929 -4.698 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.395 -4.003 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.375 -2.944 -9.390 1.00 0.00 H new ATOM 838 N GLY A 53 -4.714 -6.961 -8.634 1.00 0.00 N ATOM 839 CA GLY A 53 -5.272 -8.228 -9.074 1.00 0.00 C ATOM 840 C GLY A 53 -5.459 -9.184 -7.894 1.00 0.00 C ATOM 841 O GLY A 53 -6.202 -10.160 -7.992 1.00 0.00 O ATOM 0 H GLY A 53 -5.066 -6.628 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.231 -8.057 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.613 -8.682 -9.814 1.00 0.00 H new ATOM 845 N ARG A 54 -4.773 -8.870 -6.805 1.00 0.00 N ATOM 846 CA ARG A 54 -4.854 -9.689 -5.607 1.00 0.00 C ATOM 847 C ARG A 54 -5.872 -9.099 -4.629 1.00 0.00 C ATOM 848 O ARG A 54 -5.982 -7.880 -4.503 1.00 0.00 O ATOM 849 CB ARG A 54 -3.492 -9.790 -4.917 1.00 0.00 C ATOM 850 CG ARG A 54 -2.649 -10.911 -5.530 1.00 0.00 C ATOM 851 CD ARG A 54 -2.286 -11.962 -4.478 1.00 0.00 C ATOM 852 NE ARG A 54 -0.964 -12.550 -4.786 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.483 -13.660 -4.210 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.212 -14.307 -3.291 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.728 -14.122 -4.552 1.00 0.00 N ATOM 0 H ARG A 54 -4.158 -8.060 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.171 -10.688 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.963 -8.841 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.633 -9.976 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.200 -11.382 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.739 -10.493 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.269 -11.507 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.045 -12.744 -4.456 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.382 -12.081 -5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.133 -13.955 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.846 -15.152 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.283 -13.628 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.094 -14.967 -4.113 1.00 0.00 H new ATOM 869 N THR A 55 -6.589 -9.991 -3.961 1.00 0.00 N ATOM 870 CA THR A 55 -7.593 -9.574 -2.998 1.00 0.00 C ATOM 871 C THR A 55 -7.032 -9.650 -1.576 1.00 0.00 C ATOM 872 O THR A 55 -6.126 -10.435 -1.304 1.00 0.00 O ATOM 873 CB THR A 55 -8.837 -10.439 -3.207 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.318 -11.750 -3.412 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.561 -10.116 -4.516 1.00 0.00 C ATOM 0 H THR A 55 -6.494 -11.001 -4.068 1.00 0.00 H new ATOM 0 HA THR A 55 -7.875 -8.532 -3.147 1.00 0.00 H new ATOM 0 HB THR A 55 -9.521 -10.300 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.058 -12.376 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.436 -10.758 -4.616 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.875 -9.072 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.888 -10.288 -5.356 1.00 0.00 H new ATOM 883 N LEU A 56 -7.596 -8.823 -0.708 1.00 0.00 N ATOM 884 CA LEU A 56 -7.164 -8.787 0.680 1.00 0.00 C ATOM 885 C LEU A 56 -7.400 -10.157 1.319 1.00 0.00 C ATOM 886 O LEU A 56 -6.691 -10.542 2.248 1.00 0.00 O ATOM 887 CB LEU A 56 -7.845 -7.636 1.423 1.00 0.00 C ATOM 888 CG LEU A 56 -7.775 -6.265 0.747 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.025 -5.438 1.052 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.491 -5.529 1.134 1.00 0.00 C ATOM 0 H LEU A 56 -8.348 -8.173 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.094 -8.587 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.894 -7.894 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.397 -7.554 2.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.746 -6.417 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.949 -4.469 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.907 -5.963 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.111 -5.292 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.466 -4.558 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.464 -5.388 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.627 -6.117 0.823 1.00 0.00 H new ATOM 902 N SER A 57 -8.397 -10.855 0.796 1.00 0.00 N ATOM 903 CA SER A 57 -8.736 -12.173 1.303 1.00 0.00 C ATOM 904 C SER A 57 -7.565 -13.134 1.082 1.00 0.00 C ATOM 905 O SER A 57 -7.088 -13.765 2.026 1.00 0.00 O ATOM 906 CB SER A 57 -10.000 -12.714 0.633 1.00 0.00 C ATOM 907 OG SER A 57 -10.183 -14.105 0.884 1.00 0.00 O ATOM 0 H SER A 57 -8.982 -10.532 0.025 1.00 0.00 H new ATOM 0 HA SER A 57 -8.933 -12.088 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.867 -12.163 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.942 -12.544 -0.442 1.00 0.00 H new ATOM 0 HG SER A 57 -11.001 -14.412 0.441 1.00 0.00 H new ATOM 913 N ASP A 58 -7.136 -13.217 -0.168 1.00 0.00 N ATOM 914 CA ASP A 58 -6.031 -14.090 -0.524 1.00 0.00 C ATOM 915 C ASP A 58 -4.795 -13.701 0.290 1.00 0.00 C ATOM 916 O ASP A 58 -3.848 -14.478 0.399 1.00 0.00 O ATOM 917 CB ASP A 58 -5.680 -13.958 -2.007 1.00 0.00 C ATOM 918 CG ASP A 58 -5.142 -15.233 -2.660 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.921 -16.210 -2.725 1.00 0.00 O ATOM 920 OD2 ASP A 58 -3.966 -15.202 -3.081 1.00 0.00 O ATOM 0 H ASP A 58 -7.534 -12.694 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.332 -15.116 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.570 -13.638 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.937 -13.168 -2.120 1.00 0.00 H new ATOM 925 N TYR A 59 -4.845 -12.497 0.842 1.00 0.00 N ATOM 926 CA TYR A 59 -3.742 -11.995 1.642 1.00 0.00 C ATOM 927 C TYR A 59 -4.009 -12.202 3.135 1.00 0.00 C ATOM 928 O TYR A 59 -3.093 -12.114 3.951 1.00 0.00 O ATOM 929 CB TYR A 59 -3.660 -10.494 1.354 1.00 0.00 C ATOM 930 CG TYR A 59 -2.933 -10.150 0.053 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.781 -10.825 -0.294 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.430 -9.162 -0.773 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.097 -10.501 -1.519 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.746 -8.838 -1.999 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.614 -9.523 -2.311 1.00 0.00 C ATOM 936 OH TYR A 59 -0.968 -9.217 -3.467 1.00 0.00 O ATOM 0 H TYR A 59 -5.632 -11.855 0.751 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.819 -12.519 1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.670 -10.087 1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.152 -10.002 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.392 -11.597 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.331 -8.632 -0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.195 -11.022 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.124 -8.068 -2.655 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.512 -10.015 -3.808 1.00 0.00 H new ATOM 946 N ASN A 60 -5.268 -12.472 3.446 1.00 0.00 N ATOM 947 CA ASN A 60 -5.667 -12.691 4.825 1.00 0.00 C ATOM 948 C ASN A 60 -5.240 -11.491 5.674 1.00 0.00 C ATOM 949 O ASN A 60 -4.379 -11.616 6.542 1.00 0.00 O ATOM 950 CB ASN A 60 -4.997 -13.940 5.401 1.00 0.00 C ATOM 951 CG ASN A 60 -5.687 -14.389 6.691 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.561 -13.723 7.221 1.00 0.00 O ATOM 953 ND2 ASN A 60 -5.248 -15.552 7.163 1.00 0.00 N ATOM 0 H ASN A 60 -6.025 -12.544 2.766 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.749 -12.820 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.030 -14.746 4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.945 -13.734 5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.646 -15.938 8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.513 -16.058 6.669 1.00 0.00 H new ATOM 960 N ILE A 61 -5.863 -10.357 5.391 1.00 0.00 N ATOM 961 CA ILE A 61 -5.557 -9.135 6.117 1.00 0.00 C ATOM 962 C ILE A 61 -6.359 -9.107 7.418 1.00 0.00 C ATOM 963 O ILE A 61 -7.501 -9.564 7.459 1.00 0.00 O ATOM 964 CB ILE A 61 -5.785 -7.912 5.226 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.551 -7.618 4.371 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.208 -6.699 6.059 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.793 -7.998 2.909 1.00 0.00 C ATOM 0 H ILE A 61 -6.578 -10.258 4.670 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.503 -9.108 6.392 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.604 -8.135 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.301 -6.559 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.696 -8.172 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.364 -5.843 5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.135 -6.925 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.427 -6.464 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.900 -7.779 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.018 -9.062 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.633 -7.424 2.518 1.00 0.00 H new ATOM 979 N GLN A 62 -5.732 -8.564 8.452 1.00 0.00 N ATOM 980 CA GLN A 62 -6.373 -8.470 9.752 1.00 0.00 C ATOM 981 C GLN A 62 -7.028 -7.097 9.923 1.00 0.00 C ATOM 982 O GLN A 62 -6.587 -6.117 9.326 1.00 0.00 O ATOM 983 CB GLN A 62 -5.375 -8.744 10.877 1.00 0.00 C ATOM 984 CG GLN A 62 -4.348 -9.796 10.454 1.00 0.00 C ATOM 985 CD GLN A 62 -5.007 -11.165 10.273 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.931 -11.340 9.495 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.484 -12.123 11.032 1.00 0.00 N ATOM 0 H GLN A 62 -4.786 -8.185 8.415 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.151 -9.232 9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.864 -7.820 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.907 -9.086 11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.873 -9.491 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.561 -9.864 11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.711 -11.909 11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.856 -13.072 10.984 1.00 0.00 H new ATOM 996 N LYS A 63 -8.071 -7.071 10.740 1.00 0.00 N ATOM 997 CA LYS A 63 -8.790 -5.835 10.997 1.00 0.00 C ATOM 998 C LYS A 63 -7.792 -4.738 11.373 1.00 0.00 C ATOM 999 O LYS A 63 -6.967 -4.924 12.266 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.881 -6.058 12.046 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.354 -6.886 13.219 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.143 -8.188 13.372 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.739 -8.928 14.648 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.668 -10.049 14.914 1.00 0.00 N ATOM 0 H LYS A 63 -8.435 -7.887 11.233 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.307 -5.502 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.243 -5.096 12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.730 -6.567 11.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.299 -7.112 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.423 -6.305 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.211 -7.969 13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.968 -8.827 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.722 -9.307 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.741 -8.238 15.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.379 -10.540 15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.633 -9.680 15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.645 -10.716 14.116 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.901 -3.619 10.673 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.018 -2.491 10.921 1.00 0.00 C ATOM 1020 C GLU A 64 -5.556 -2.929 10.815 1.00 0.00 C ATOM 1021 O GLU A 64 -4.753 -2.645 11.702 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.304 -1.862 12.285 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.756 -1.388 12.377 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.609 -2.385 13.165 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.293 -2.584 14.358 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.559 -2.925 12.557 1.00 0.00 O ATOM 0 H GLU A 64 -8.587 -3.469 9.934 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.206 -1.733 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.104 -2.588 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.632 -1.020 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.794 -0.411 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.166 -1.265 11.375 1.00 0.00 H new ATOM 1033 N SER A 65 -5.254 -3.613 9.721 1.00 0.00 N ATOM 1034 CA SER A 65 -3.902 -4.092 9.487 1.00 0.00 C ATOM 1035 C SER A 65 -2.962 -2.909 9.244 1.00 0.00 C ATOM 1036 O SER A 65 -3.415 -1.782 9.051 1.00 0.00 O ATOM 1037 CB SER A 65 -3.858 -5.058 8.302 1.00 0.00 C ATOM 1038 OG SER A 65 -4.270 -6.372 8.667 1.00 0.00 O ATOM 0 H SER A 65 -5.922 -3.847 8.987 1.00 0.00 H new ATOM 0 HA SER A 65 -3.572 -4.633 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.502 -4.684 7.506 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.845 -5.094 7.902 1.00 0.00 H new ATOM 0 HG SER A 65 -4.852 -6.326 9.454 1.00 0.00 H new ATOM 1044 N THR A 66 -1.671 -3.207 9.264 1.00 0.00 N ATOM 1045 CA THR A 66 -0.664 -2.182 9.048 1.00 0.00 C ATOM 1046 C THR A 66 -0.040 -2.332 7.659 1.00 0.00 C ATOM 1047 O THR A 66 0.857 -3.151 7.463 1.00 0.00 O ATOM 1048 CB THR A 66 0.356 -2.275 10.185 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.292 -1.640 11.284 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.594 -1.412 9.933 1.00 0.00 C ATOM 0 H THR A 66 -1.299 -4.143 9.426 1.00 0.00 H new ATOM 0 HA THR A 66 -1.104 -1.185 9.067 1.00 0.00 H new ATOM 0 HB THR A 66 0.659 -3.314 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.298 -1.657 12.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.285 -1.514 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.084 -1.738 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.296 -0.368 9.834 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.539 -1.529 6.732 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.042 -1.562 5.366 1.00 0.00 C ATOM 1060 C LEU A 67 0.849 -0.342 5.123 1.00 0.00 C ATOM 1061 O LEU A 67 0.643 0.711 5.725 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.202 -1.684 4.376 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.098 -2.912 4.541 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.141 -2.687 5.637 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.742 -3.305 3.209 1.00 0.00 C ATOM 0 H LEU A 67 -1.283 -0.851 6.899 1.00 0.00 H new ATOM 0 HA LEU A 67 0.576 -2.446 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.822 -0.792 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.792 -1.691 3.366 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.475 -3.749 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.765 -3.576 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.638 -2.492 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.765 -1.832 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.374 -4.181 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.348 -2.478 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.963 -3.536 2.483 1.00 0.00 H new ATOM 1077 N HIS A 68 1.820 -0.524 4.240 1.00 0.00 N ATOM 1078 CA HIS A 68 2.743 0.548 3.910 1.00 0.00 C ATOM 1079 C HIS A 68 2.429 1.083 2.511 1.00 0.00 C ATOM 1080 O HIS A 68 2.571 0.367 1.522 1.00 0.00 O ATOM 1081 CB HIS A 68 4.192 0.082 4.054 1.00 0.00 C ATOM 1082 CG HIS A 68 5.062 1.018 4.858 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.816 0.598 5.940 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.290 2.357 4.727 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.464 1.645 6.430 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.136 2.734 5.677 1.00 0.00 N ATOM 0 H HIS A 68 1.987 -1.399 3.743 1.00 0.00 H new ATOM 0 HA HIS A 68 2.616 1.371 4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.201 -0.901 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.625 -0.037 3.061 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.855 3.001 3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.134 1.637 7.277 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.484 3.682 5.821 1.00 0.00 H new ATOM 1094 N LEU A 69 2.007 2.339 2.473 1.00 0.00 N ATOM 1095 CA LEU A 69 1.672 2.979 1.213 1.00 0.00 C ATOM 1096 C LEU A 69 2.859 3.820 0.741 1.00 0.00 C ATOM 1097 O LEU A 69 2.962 4.999 1.078 1.00 0.00 O ATOM 1098 CB LEU A 69 0.370 3.771 1.344 1.00 0.00 C ATOM 1099 CG LEU A 69 0.120 4.832 0.270 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.159 4.215 -1.130 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.191 5.577 0.530 1.00 0.00 C ATOM 0 H LEU A 69 1.890 2.930 3.296 1.00 0.00 H new ATOM 0 HA LEU A 69 1.486 2.230 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.463 3.068 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.361 4.260 2.318 1.00 0.00 H new ATOM 0 HG LEU A 69 0.924 5.566 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.022 4.990 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.137 3.767 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.611 3.448 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.345 6.325 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.020 4.869 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.144 6.068 1.502 1.00 0.00 H new ATOM 1113 N VAL A 70 3.727 3.182 -0.031 1.00 0.00 N ATOM 1114 CA VAL A 70 4.903 3.858 -0.552 1.00 0.00 C ATOM 1115 C VAL A 70 4.691 4.170 -2.035 1.00 0.00 C ATOM 1116 O VAL A 70 3.797 3.612 -2.669 1.00 0.00 O ATOM 1117 CB VAL A 70 6.151 3.011 -0.291 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.398 3.680 -0.874 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.325 2.736 1.203 1.00 0.00 C ATOM 0 H VAL A 70 3.639 2.204 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 70 5.057 4.807 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 70 6.017 2.053 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.271 3.058 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.276 3.801 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.536 4.658 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.219 2.132 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.426 3.681 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.454 2.199 1.578 1.00 0.00 H new ATOM 1129 N LEU A 71 5.529 5.061 -2.545 1.00 0.00 N ATOM 1130 CA LEU A 71 5.445 5.454 -3.941 1.00 0.00 C ATOM 1131 C LEU A 71 6.260 4.478 -4.792 1.00 0.00 C ATOM 1132 O LEU A 71 7.119 3.765 -4.273 1.00 0.00 O ATOM 1133 CB LEU A 71 5.863 6.916 -4.112 1.00 0.00 C ATOM 1134 CG LEU A 71 5.103 7.935 -3.260 1.00 0.00 C ATOM 1135 CD1 LEU A 71 6.032 9.052 -2.783 1.00 0.00 C ATOM 1136 CD2 LEU A 71 3.889 8.482 -4.012 1.00 0.00 C ATOM 0 H LEU A 71 6.269 5.522 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 71 4.414 5.398 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.925 6.999 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.743 7.187 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 71 4.729 7.426 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.467 9.763 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.836 8.625 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.456 9.565 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.367 9.204 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.219 8.970 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.215 7.662 -4.260 1.00 0.00 H new ATOM 1148 N ARG A 72 5.964 4.477 -6.082 1.00 0.00 N ATOM 1149 CA ARG A 72 6.658 3.600 -7.009 1.00 0.00 C ATOM 1150 C ARG A 72 7.859 4.322 -7.624 1.00 0.00 C ATOM 1151 O ARG A 72 7.853 5.545 -7.752 1.00 0.00 O ATOM 1152 CB ARG A 72 5.726 3.132 -8.128 1.00 0.00 C ATOM 1153 CG ARG A 72 4.635 2.208 -7.583 1.00 0.00 C ATOM 1154 CD ARG A 72 4.472 0.971 -8.468 1.00 0.00 C ATOM 1155 NE ARG A 72 3.344 0.145 -7.981 1.00 0.00 N ATOM 1156 CZ ARG A 72 2.988 -1.031 -8.516 1.00 0.00 C ATOM 1157 NH1 ARG A 72 3.669 -1.527 -9.558 1.00 0.00 N ATOM 1158 NH2 ARG A 72 1.951 -1.712 -8.008 1.00 0.00 N ATOM 0 H ARG A 72 5.252 5.070 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 72 7.000 2.730 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.268 3.996 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.302 2.609 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.886 1.902 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.690 2.748 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.293 1.273 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.391 0.386 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 72 2.804 0.493 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.459 -1.009 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.398 -2.422 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.433 -1.335 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.680 -2.607 -8.415 1.00 0.00 H new ATOM 1172 N LEU A 73 8.860 3.534 -7.986 1.00 0.00 N ATOM 1173 CA LEU A 73 10.066 4.081 -8.584 1.00 0.00 C ATOM 1174 C LEU A 73 9.778 4.475 -10.034 1.00 0.00 C ATOM 1175 O LEU A 73 9.794 5.656 -10.376 1.00 0.00 O ATOM 1176 CB LEU A 73 11.233 3.103 -8.432 1.00 0.00 C ATOM 1177 CG LEU A 73 11.991 3.165 -7.104 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.767 4.477 -6.977 1.00 0.00 C ATOM 1179 CD2 LEU A 73 11.047 2.941 -5.922 1.00 0.00 C ATOM 0 H LEU A 73 8.861 2.520 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 73 10.372 4.988 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.852 2.090 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.941 3.284 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 73 12.721 2.356 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.297 4.496 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.485 4.555 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.073 5.316 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.612 2.990 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.277 3.712 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.579 1.961 -6.011 1.00 0.00 H new ATOM 1191 N ARG A 74 9.520 3.462 -10.848 1.00 0.00 N ATOM 1192 CA ARG A 74 9.229 3.686 -12.254 1.00 0.00 C ATOM 1193 C ARG A 74 7.724 3.871 -12.461 1.00 0.00 C ATOM 1194 O ARG A 74 7.027 4.357 -11.572 1.00 0.00 O ATOM 1195 CB ARG A 74 9.714 2.515 -13.110 1.00 0.00 C ATOM 1196 CG ARG A 74 10.279 3.008 -14.444 1.00 0.00 C ATOM 1197 CD ARG A 74 9.646 2.258 -15.619 1.00 0.00 C ATOM 1198 NE ARG A 74 10.677 1.949 -16.635 1.00 0.00 N ATOM 1199 CZ ARG A 74 11.725 1.144 -16.421 1.00 0.00 C ATOM 1200 NH1 ARG A 74 11.890 0.562 -15.225 1.00 0.00 N ATOM 1201 NH2 ARG A 74 12.611 0.920 -17.402 1.00 0.00 N ATOM 0 H ARG A 74 9.506 2.483 -10.561 1.00 0.00 H new ATOM 0 HA ARG A 74 9.756 4.589 -12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.480 1.958 -12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.889 1.827 -13.293 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.094 4.077 -14.548 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.360 2.869 -14.459 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.183 1.336 -15.266 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.855 2.862 -16.063 1.00 0.00 H new ATOM 0 HE ARG A 74 10.583 2.376 -17.556 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.217 0.732 -14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.689 -0.051 -15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.487 1.363 -18.312 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.409 0.307 -17.238 1.00 0.00 H new ATOM 1215 N GLY A 75 7.268 3.474 -13.640 1.00 0.00 N ATOM 1216 CA GLY A 75 5.860 3.591 -13.975 1.00 0.00 C ATOM 1217 C GLY A 75 5.332 2.290 -14.583 1.00 0.00 C ATOM 1218 O GLY A 75 5.124 1.308 -13.873 1.00 0.00 O ATOM 0 H GLY A 75 7.849 3.071 -14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.289 3.837 -13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.717 4.410 -14.679 1.00 0.00 H new ATOM 1222 N GLY A 76 5.127 2.326 -15.891 1.00 0.00 N ATOM 1223 CA GLY A 76 4.627 1.162 -16.603 1.00 0.00 C ATOM 1224 C GLY A 76 5.442 0.902 -17.871 1.00 0.00 C ATOM 1225 O GLY A 76 6.670 0.836 -17.822 1.00 0.00 O ATOM 0 H GLY A 76 5.298 3.143 -16.477 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.670 0.288 -15.953 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.580 1.314 -16.864 1.00 0.00 H new TER 1229 GLY A 76