USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 Set 1.1: A 48 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= -3.84! C(o=-3.8!,f=-12!) USER MOD Set 2.1: A 22 THR OG1 : rot -58:sc= 0.0811 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.562 K(o=0.64,f=-4.6!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.255 USER MOD Set 3.2: A 9 THR OG1 : rot -75:sc= -0.046 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.0955) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0872 (180deg=0.0605) USER MOD Single : A 2 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 2.21 (180deg=1.62) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.087 (180deg=-1.08) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 0.0961 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.6!) USER MOD Single : A 41 GLN : amide:sc= -13.3! C(o=-13!,f=-20!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 57 SER OG : rot -18:sc= 0.221! USER MOD Single : A 59 TYR OH : rot -41:sc= 0.384! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 0.811 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.050 -19.840 -1.342 1.00 0.00 N ATOM 2 CA MET A 1 3.849 -19.425 -2.525 1.00 0.00 C ATOM 3 C MET A 1 4.542 -18.088 -2.280 1.00 0.00 C ATOM 4 O MET A 1 4.306 -17.431 -1.266 1.00 0.00 O ATOM 5 CB MET A 1 2.915 -19.324 -3.732 1.00 0.00 C ATOM 6 CG MET A 1 1.902 -18.195 -3.622 1.00 0.00 C ATOM 7 SD MET A 1 1.385 -17.567 -5.231 1.00 0.00 S ATOM 8 CE MET A 1 -0.232 -16.907 -4.832 1.00 0.00 C ATOM 0 H1 MET A 1 3.521 -20.636 -0.867 1.00 0.00 H new ATOM 0 H2 MET A 1 2.969 -19.042 -0.681 1.00 0.00 H new ATOM 0 H3 MET A 1 2.101 -20.133 -1.650 1.00 0.00 H new ATOM 0 HA MET A 1 4.625 -20.167 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.512 -19.179 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.383 -20.268 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.027 -18.549 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.333 -17.381 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.591 -16.298 -5.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.927 -17.728 -4.657 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.163 -16.292 -3.935 1.00 0.00 H new ATOM 20 N GLN A 2 5.397 -17.690 -3.217 1.00 0.00 N ATOM 21 CA GLN A 2 6.123 -16.429 -3.104 1.00 0.00 C ATOM 22 C GLN A 2 5.498 -15.358 -3.992 1.00 0.00 C ATOM 23 O GLN A 2 4.961 -15.659 -5.058 1.00 0.00 O ATOM 24 CB GLN A 2 7.592 -16.628 -3.482 1.00 0.00 C ATOM 25 CG GLN A 2 8.560 -16.296 -2.359 1.00 0.00 C ATOM 26 CD GLN A 2 9.017 -17.527 -1.601 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.202 -17.682 -1.303 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.078 -18.411 -1.285 1.00 0.00 N ATOM 0 H GLN A 2 5.604 -18.222 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 2 6.062 -16.095 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.743 -17.664 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.824 -16.005 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.429 -15.785 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.083 -15.603 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.108 -18.242 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.327 -19.259 -0.775 1.00 0.00 H new ATOM 37 N LEU A 3 5.575 -14.109 -3.547 1.00 0.00 N ATOM 38 CA LEU A 3 5.017 -12.994 -4.303 1.00 0.00 C ATOM 39 C LEU A 3 5.952 -11.789 -4.268 1.00 0.00 C ATOM 40 O LEU A 3 6.395 -11.365 -3.201 1.00 0.00 O ATOM 41 CB LEU A 3 3.646 -12.606 -3.742 1.00 0.00 C ATOM 42 CG LEU A 3 2.522 -13.599 -4.038 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.435 -13.509 -2.978 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.942 -13.350 -5.422 1.00 0.00 C ATOM 0 H LEU A 3 6.018 -13.843 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 3 4.903 -13.312 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.732 -12.489 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.367 -11.633 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 3 2.938 -14.606 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.644 -14.223 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.860 -13.738 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.021 -12.501 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.143 -14.066 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.542 -12.337 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.725 -13.468 -6.171 1.00 0.00 H new ATOM 56 N PHE A 4 6.249 -11.241 -5.444 1.00 0.00 N ATOM 57 CA PHE A 4 7.131 -10.085 -5.546 1.00 0.00 C ATOM 58 C PHE A 4 6.329 -8.787 -5.529 1.00 0.00 C ATOM 59 O PHE A 4 5.265 -8.696 -6.142 1.00 0.00 O ATOM 60 CB PHE A 4 7.968 -10.162 -6.825 1.00 0.00 C ATOM 61 CG PHE A 4 8.684 -11.471 -6.997 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.821 -12.349 -5.928 1.00 0.00 C ATOM 63 CD2 PHE A 4 9.223 -11.826 -8.230 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.481 -13.558 -6.085 1.00 0.00 C ATOM 65 CE2 PHE A 4 9.884 -13.033 -8.392 1.00 0.00 C ATOM 66 CZ PHE A 4 10.014 -13.899 -7.318 1.00 0.00 C ATOM 0 H PHE A 4 5.892 -11.579 -6.337 1.00 0.00 H new ATOM 0 HA PHE A 4 7.798 -10.093 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.319 -9.997 -7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.700 -9.355 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.409 -12.086 -4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.125 -11.154 -9.069 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.580 -14.233 -5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.297 -13.298 -9.354 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.531 -14.839 -7.442 1.00 0.00 H new ATOM 76 N VAL A 5 6.847 -7.787 -4.824 1.00 0.00 N ATOM 77 CA VAL A 5 6.178 -6.494 -4.727 1.00 0.00 C ATOM 78 C VAL A 5 7.170 -5.350 -4.906 1.00 0.00 C ATOM 79 O VAL A 5 8.318 -5.435 -4.469 1.00 0.00 O ATOM 80 CB VAL A 5 5.463 -6.332 -3.373 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.443 -5.207 -3.440 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.801 -7.638 -2.960 1.00 0.00 C ATOM 0 H VAL A 5 7.727 -7.846 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 5 5.437 -6.459 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 5 6.206 -6.073 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.948 -5.107 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.947 -4.273 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.702 -5.433 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.301 -7.505 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.069 -7.929 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.558 -8.417 -2.869 1.00 0.00 H new ATOM 92 N LYS A 6 6.721 -4.279 -5.552 1.00 0.00 N ATOM 93 CA LYS A 6 7.571 -3.118 -5.789 1.00 0.00 C ATOM 94 C LYS A 6 6.866 -1.832 -5.373 1.00 0.00 C ATOM 95 O LYS A 6 5.636 -1.758 -5.370 1.00 0.00 O ATOM 96 CB LYS A 6 7.966 -3.043 -7.265 1.00 0.00 C ATOM 97 CG LYS A 6 6.780 -2.911 -8.207 1.00 0.00 C ATOM 98 CD LYS A 6 7.009 -3.672 -9.502 1.00 0.00 C ATOM 99 CE LYS A 6 8.034 -2.977 -10.383 1.00 0.00 C ATOM 100 NZ LYS A 6 8.558 -3.880 -11.446 1.00 0.00 N ATOM 0 H LYS A 6 5.774 -4.191 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 6 8.471 -3.228 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.632 -2.193 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.530 -3.938 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.882 -3.287 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.606 -1.858 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.348 -4.683 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.067 -3.765 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.581 -2.099 -10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.861 -2.623 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.254 -3.368 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.013 -4.706 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.773 -4.198 -12.050 1.00 0.00 H new ATOM 114 N THR A 7 7.652 -0.820 -5.021 1.00 0.00 N ATOM 115 CA THR A 7 7.106 0.466 -4.602 1.00 0.00 C ATOM 116 C THR A 7 7.526 1.575 -5.559 1.00 0.00 C ATOM 117 O THR A 7 7.844 1.318 -6.721 1.00 0.00 O ATOM 118 CB THR A 7 7.566 0.801 -3.182 1.00 0.00 C ATOM 119 OG1 THR A 7 8.930 1.185 -3.175 1.00 0.00 O ATOM 120 CG2 THR A 7 7.409 -0.352 -2.214 1.00 0.00 C ATOM 0 H THR A 7 8.671 -0.866 -5.018 1.00 0.00 H new ATOM 0 HA THR A 7 6.019 0.392 -4.617 1.00 0.00 H new ATOM 0 HB THR A 7 6.923 1.618 -2.855 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.206 1.397 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.754 -0.047 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.359 -0.641 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.001 -1.200 -2.559 1.00 0.00 H new ATOM 128 N LEU A 8 7.528 2.808 -5.065 1.00 0.00 N ATOM 129 CA LEU A 8 7.912 3.957 -5.876 1.00 0.00 C ATOM 130 C LEU A 8 9.421 4.171 -5.835 1.00 0.00 C ATOM 131 O LEU A 8 9.921 5.223 -6.233 1.00 0.00 O ATOM 132 CB LEU A 8 7.193 5.217 -5.389 1.00 0.00 C ATOM 133 CG LEU A 8 5.666 5.129 -5.377 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.099 5.866 -4.173 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.090 5.689 -6.669 1.00 0.00 C ATOM 0 H LEU A 8 7.268 3.037 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 8 7.619 3.756 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.536 5.445 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.488 6.053 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 8 5.381 4.080 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.011 5.793 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.486 5.419 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.392 6.915 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.003 5.618 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.383 6.733 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.471 5.117 -7.515 1.00 0.00 H new ATOM 147 N THR A 9 10.143 3.164 -5.352 1.00 0.00 N ATOM 148 CA THR A 9 11.596 3.240 -5.258 1.00 0.00 C ATOM 149 C THR A 9 12.256 2.167 -6.119 1.00 0.00 C ATOM 150 O THR A 9 13.473 2.165 -6.299 1.00 0.00 O ATOM 151 CB THR A 9 12.041 3.088 -3.804 1.00 0.00 C ATOM 152 OG1 THR A 9 12.173 1.720 -3.460 1.00 0.00 O ATOM 153 CG2 THR A 9 11.084 3.720 -2.815 1.00 0.00 C ATOM 0 H THR A 9 9.745 2.286 -5.020 1.00 0.00 H new ATOM 0 HA THR A 9 11.908 4.217 -5.627 1.00 0.00 H new ATOM 0 HB THR A 9 12.998 3.606 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.284 1.327 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.460 3.576 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.999 4.787 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.104 3.253 -2.908 1.00 0.00 H new ATOM 161 N GLY A 10 11.444 1.255 -6.647 1.00 0.00 N ATOM 162 CA GLY A 10 11.970 0.189 -7.480 1.00 0.00 C ATOM 163 C GLY A 10 12.494 -0.979 -6.668 1.00 0.00 C ATOM 164 O GLY A 10 13.160 -1.866 -7.201 1.00 0.00 O ATOM 0 H GLY A 10 10.433 1.236 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.187 -0.162 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.773 0.582 -8.104 1.00 0.00 H new ATOM 168 N LYS A 11 12.193 -0.980 -5.373 1.00 0.00 N ATOM 169 CA LYS A 11 12.638 -2.048 -4.485 1.00 0.00 C ATOM 170 C LYS A 11 11.717 -3.259 -4.588 1.00 0.00 C ATOM 171 O LYS A 11 10.500 -3.141 -4.438 1.00 0.00 O ATOM 172 CB LYS A 11 12.687 -1.551 -3.040 1.00 0.00 C ATOM 173 CG LYS A 11 13.488 -2.452 -2.113 1.00 0.00 C ATOM 174 CD LYS A 11 12.959 -2.399 -0.689 1.00 0.00 C ATOM 175 CE LYS A 11 14.078 -2.154 0.312 1.00 0.00 C ATOM 176 NZ LYS A 11 15.029 -3.298 0.373 1.00 0.00 N ATOM 0 H LYS A 11 11.643 -0.253 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 11 13.640 -2.349 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.119 -0.550 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.669 -1.465 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.449 -3.478 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.535 -2.149 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.215 -1.607 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.456 -3.336 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.618 -1.247 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.650 -1.984 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.776 -3.092 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.519 -4.158 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.457 -3.444 -0.564 1.00 0.00 H new ATOM 190 N THR A 12 12.303 -4.424 -4.846 1.00 0.00 N ATOM 191 CA THR A 12 11.534 -5.657 -4.969 1.00 0.00 C ATOM 192 C THR A 12 11.488 -6.404 -3.640 1.00 0.00 C ATOM 193 O THR A 12 12.520 -6.639 -3.012 1.00 0.00 O ATOM 194 CB THR A 12 12.139 -6.552 -6.051 1.00 0.00 C ATOM 195 OG1 THR A 12 12.676 -5.773 -7.105 1.00 0.00 O ATOM 196 CG2 THR A 12 11.141 -7.516 -6.657 1.00 0.00 C ATOM 0 H THR A 12 13.308 -4.540 -4.974 1.00 0.00 H new ATOM 0 HA THR A 12 10.515 -5.395 -5.252 1.00 0.00 H new ATOM 0 HB THR A 12 12.917 -7.126 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.060 -6.364 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.635 -8.121 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.744 -8.166 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.325 -6.956 -7.113 1.00 0.00 H new ATOM 204 N LEU A 13 10.284 -6.776 -3.218 1.00 0.00 N ATOM 205 CA LEU A 13 10.102 -7.497 -1.963 1.00 0.00 C ATOM 206 C LEU A 13 9.642 -8.928 -2.222 1.00 0.00 C ATOM 207 O LEU A 13 9.105 -9.236 -3.286 1.00 0.00 O ATOM 208 CB LEU A 13 9.085 -6.774 -1.079 1.00 0.00 C ATOM 209 CG LEU A 13 9.647 -6.214 0.229 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.775 -4.701 0.151 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.767 -6.619 1.403 1.00 0.00 C ATOM 0 H LEU A 13 9.420 -6.590 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 13 11.062 -7.530 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.648 -5.954 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.276 -7.465 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 13 10.641 -6.633 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.176 -4.321 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.447 -4.434 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.794 -4.262 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.181 -6.212 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.760 -6.229 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.729 -7.706 1.471 1.00 0.00 H new ATOM 223 N THR A 14 9.855 -9.798 -1.241 1.00 0.00 N ATOM 224 CA THR A 14 9.463 -11.198 -1.364 1.00 0.00 C ATOM 225 C THR A 14 8.717 -11.667 -0.118 1.00 0.00 C ATOM 226 O THR A 14 9.289 -11.738 0.970 1.00 0.00 O ATOM 227 CB THR A 14 10.694 -12.076 -1.595 1.00 0.00 C ATOM 228 OG1 THR A 14 11.465 -11.583 -2.676 1.00 0.00 O ATOM 229 CG2 THR A 14 10.353 -13.519 -1.895 1.00 0.00 C ATOM 0 H THR A 14 10.296 -9.559 -0.353 1.00 0.00 H new ATOM 0 HA THR A 14 8.795 -11.287 -2.221 1.00 0.00 H new ATOM 0 HB THR A 14 11.254 -12.039 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.249 -12.157 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.271 -14.086 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.800 -13.944 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.741 -13.569 -2.796 1.00 0.00 H new ATOM 237 N VAL A 15 7.439 -11.988 -0.286 1.00 0.00 N ATOM 238 CA VAL A 15 6.614 -12.451 0.825 1.00 0.00 C ATOM 239 C VAL A 15 6.016 -13.822 0.528 1.00 0.00 C ATOM 240 O VAL A 15 5.892 -14.218 -0.631 1.00 0.00 O ATOM 241 CB VAL A 15 5.474 -11.462 1.132 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.019 -10.054 1.310 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.423 -11.501 0.032 1.00 0.00 C ATOM 0 H VAL A 15 6.951 -11.936 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 15 7.266 -12.520 1.696 1.00 0.00 H new ATOM 0 HB VAL A 15 5.000 -11.762 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.198 -9.371 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.729 -10.041 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.521 -9.740 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.625 -10.796 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.881 -11.228 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.009 -12.507 -0.040 1.00 0.00 H new ATOM 253 N GLU A 16 5.644 -14.540 1.582 1.00 0.00 N ATOM 254 CA GLU A 16 5.058 -15.866 1.434 1.00 0.00 C ATOM 255 C GLU A 16 3.582 -15.855 1.821 1.00 0.00 C ATOM 256 O GLU A 16 3.239 -15.744 2.999 1.00 0.00 O ATOM 257 CB GLU A 16 5.814 -16.879 2.296 1.00 0.00 C ATOM 258 CG GLU A 16 6.691 -17.826 1.493 1.00 0.00 C ATOM 259 CD GLU A 16 6.002 -19.143 1.194 1.00 0.00 C ATOM 260 OE1 GLU A 16 4.981 -19.442 1.848 1.00 0.00 O ATOM 261 OE2 GLU A 16 6.484 -19.877 0.306 1.00 0.00 O ATOM 0 H GLU A 16 5.738 -14.226 2.548 1.00 0.00 H new ATOM 0 HA GLU A 16 5.139 -16.157 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.435 -16.342 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.095 -17.462 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.974 -17.347 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.612 -18.018 2.044 1.00 0.00 H new ATOM 268 N LEU A 17 2.712 -15.969 0.822 1.00 0.00 N ATOM 269 CA LEU A 17 1.273 -15.971 1.060 1.00 0.00 C ATOM 270 C LEU A 17 0.580 -17.017 0.193 1.00 0.00 C ATOM 271 O LEU A 17 1.006 -17.289 -0.930 1.00 0.00 O ATOM 272 CB LEU A 17 0.686 -14.587 0.778 1.00 0.00 C ATOM 273 CG LEU A 17 -0.037 -13.938 1.960 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.906 -13.791 3.145 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.609 -12.588 1.559 1.00 0.00 C ATOM 0 H LEU A 17 2.978 -16.061 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 17 1.103 -16.223 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.491 -13.926 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.012 -14.668 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.863 -14.585 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.375 -13.328 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.267 -14.774 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.752 -13.166 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.120 -12.141 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.199 -11.932 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.317 -12.721 0.741 1.00 0.00 H new ATOM 287 N GLU A 18 -0.492 -17.599 0.721 1.00 0.00 N ATOM 288 CA GLU A 18 -1.246 -18.616 -0.003 1.00 0.00 C ATOM 289 C GLU A 18 -2.386 -17.985 -0.795 1.00 0.00 C ATOM 290 O GLU A 18 -2.852 -16.892 -0.472 1.00 0.00 O ATOM 291 CB GLU A 18 -1.803 -19.657 0.969 1.00 0.00 C ATOM 292 CG GLU A 18 -0.739 -20.311 1.836 1.00 0.00 C ATOM 293 CD GLU A 18 -0.186 -21.582 1.222 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.941 -22.272 0.504 1.00 0.00 O ATOM 295 OE2 GLU A 18 1.002 -21.886 1.456 1.00 0.00 O ATOM 0 H GLU A 18 -0.858 -17.383 1.648 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.568 -19.107 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.543 -19.181 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.323 -20.429 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.076 -19.606 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.162 -20.539 2.814 1.00 0.00 H new ATOM 302 N PRO A 19 -2.853 -18.675 -1.846 1.00 0.00 N ATOM 303 CA PRO A 19 -3.948 -18.187 -2.691 1.00 0.00 C ATOM 304 C PRO A 19 -5.252 -18.045 -1.913 1.00 0.00 C ATOM 305 O PRO A 19 -6.201 -17.419 -2.383 1.00 0.00 O ATOM 306 CB PRO A 19 -4.082 -19.265 -3.772 1.00 0.00 C ATOM 307 CG PRO A 19 -3.453 -20.482 -3.185 1.00 0.00 C ATOM 308 CD PRO A 19 -2.353 -19.986 -2.291 1.00 0.00 C ATOM 0 HA PRO A 19 -3.742 -17.195 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.127 -19.444 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.579 -18.966 -4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.181 -21.065 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.059 -21.133 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.182 -20.659 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.408 -19.897 -2.826 1.00 0.00 H new ATOM 316 N SER A 20 -5.288 -18.631 -0.721 1.00 0.00 N ATOM 317 CA SER A 20 -6.475 -18.569 0.125 1.00 0.00 C ATOM 318 C SER A 20 -6.478 -17.294 0.961 1.00 0.00 C ATOM 319 O SER A 20 -7.536 -16.770 1.307 1.00 0.00 O ATOM 320 CB SER A 20 -6.539 -19.793 1.041 1.00 0.00 C ATOM 321 OG SER A 20 -5.370 -19.899 1.835 1.00 0.00 O ATOM 0 H SER A 20 -4.510 -19.154 -0.319 1.00 0.00 H new ATOM 0 HA SER A 20 -7.353 -18.562 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.415 -19.723 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.657 -20.695 0.440 1.00 0.00 H new ATOM 0 HG SER A 20 -5.437 -20.688 2.412 1.00 0.00 H new ATOM 327 N ASP A 21 -5.286 -16.798 1.280 1.00 0.00 N ATOM 328 CA ASP A 21 -5.153 -15.582 2.074 1.00 0.00 C ATOM 329 C ASP A 21 -5.883 -14.420 1.410 1.00 0.00 C ATOM 330 O ASP A 21 -6.134 -14.440 0.205 1.00 0.00 O ATOM 331 CB ASP A 21 -3.676 -15.231 2.266 1.00 0.00 C ATOM 332 CG ASP A 21 -3.008 -16.100 3.313 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.302 -15.917 4.513 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.190 -16.964 2.933 1.00 0.00 O ATOM 0 H ASP A 21 -4.400 -17.219 1.001 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.604 -15.762 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.152 -15.343 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.589 -14.184 2.557 1.00 0.00 H new ATOM 339 N THR A 22 -6.225 -13.410 2.202 1.00 0.00 N ATOM 340 CA THR A 22 -6.930 -12.242 1.687 1.00 0.00 C ATOM 341 C THR A 22 -6.024 -11.015 1.673 1.00 0.00 C ATOM 342 O THR A 22 -5.016 -10.962 2.381 1.00 0.00 O ATOM 343 CB THR A 22 -8.175 -11.961 2.529 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.846 -11.194 3.673 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.874 -13.218 3.002 1.00 0.00 C ATOM 0 H THR A 22 -6.026 -13.376 3.202 1.00 0.00 H new ATOM 0 HA THR A 22 -7.232 -12.457 0.662 1.00 0.00 H new ATOM 0 HB THR A 22 -8.851 -11.415 1.871 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.178 -11.673 4.207 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.749 -12.947 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.187 -13.807 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.190 -13.806 3.614 1.00 0.00 H new ATOM 353 N VAL A 23 -6.392 -10.028 0.862 1.00 0.00 N ATOM 354 CA VAL A 23 -5.617 -8.800 0.753 1.00 0.00 C ATOM 355 C VAL A 23 -5.210 -8.289 2.130 1.00 0.00 C ATOM 356 O VAL A 23 -4.049 -7.946 2.358 1.00 0.00 O ATOM 357 CB VAL A 23 -6.410 -7.700 0.023 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.621 -6.400 -0.001 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.763 -8.145 -1.388 1.00 0.00 C ATOM 0 H VAL A 23 -7.223 -10.056 0.271 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.723 -9.036 0.175 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.338 -7.524 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.197 -5.634 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.424 -6.075 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.676 -6.558 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.323 -7.356 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.848 -8.350 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.371 -9.049 -1.343 1.00 0.00 H new ATOM 369 N GLU A 24 -6.170 -8.247 3.049 1.00 0.00 N ATOM 370 CA GLU A 24 -5.906 -7.783 4.404 1.00 0.00 C ATOM 371 C GLU A 24 -4.636 -8.423 4.949 1.00 0.00 C ATOM 372 O GLU A 24 -3.756 -7.737 5.470 1.00 0.00 O ATOM 373 CB GLU A 24 -7.088 -8.106 5.319 1.00 0.00 C ATOM 374 CG GLU A 24 -7.117 -7.273 6.591 1.00 0.00 C ATOM 375 CD GLU A 24 -7.390 -8.107 7.828 1.00 0.00 C ATOM 376 OE1 GLU A 24 -6.447 -8.757 8.326 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.546 -8.107 8.300 1.00 0.00 O ATOM 0 H GLU A 24 -7.136 -8.528 2.879 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.769 -6.702 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.016 -7.948 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.052 -9.162 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.162 -6.760 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.884 -6.503 6.500 1.00 0.00 H new ATOM 384 N ASN A 25 -4.543 -9.742 4.819 1.00 0.00 N ATOM 385 CA ASN A 25 -3.377 -10.474 5.292 1.00 0.00 C ATOM 386 C ASN A 25 -2.112 -9.951 4.622 1.00 0.00 C ATOM 387 O ASN A 25 -1.122 -9.646 5.289 1.00 0.00 O ATOM 388 CB ASN A 25 -3.538 -11.969 5.014 1.00 0.00 C ATOM 389 CG ASN A 25 -4.716 -12.571 5.756 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.673 -13.045 5.145 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.650 -12.553 7.083 1.00 0.00 N ATOM 0 H ASN A 25 -5.262 -10.325 4.390 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.290 -10.324 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.668 -12.125 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.625 -12.490 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.413 -12.943 7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.837 -12.150 7.548 1.00 0.00 H new ATOM 398 N LEU A 26 -2.152 -9.843 3.297 1.00 0.00 N ATOM 399 CA LEU A 26 -1.010 -9.348 2.540 1.00 0.00 C ATOM 400 C LEU A 26 -0.494 -8.047 3.144 1.00 0.00 C ATOM 401 O LEU A 26 0.700 -7.901 3.408 1.00 0.00 O ATOM 402 CB LEU A 26 -1.393 -9.129 1.075 1.00 0.00 C ATOM 403 CG LEU A 26 -0.377 -8.337 0.251 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.029 -8.866 0.487 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.729 -8.397 -1.227 1.00 0.00 C ATOM 0 H LEU A 26 -2.961 -10.091 2.728 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.218 -10.096 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.540 -10.101 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.351 -8.609 1.040 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.410 -7.296 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.739 -8.291 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.280 -8.772 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.077 -9.915 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.004 -7.828 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.724 -9.435 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.720 -7.971 -1.383 1.00 0.00 H new ATOM 417 N LYS A 27 -1.407 -7.105 3.371 1.00 0.00 N ATOM 418 CA LYS A 27 -1.045 -5.820 3.955 1.00 0.00 C ATOM 419 C LYS A 27 -0.302 -6.028 5.268 1.00 0.00 C ATOM 420 O LYS A 27 0.704 -5.368 5.538 1.00 0.00 O ATOM 421 CB LYS A 27 -2.297 -4.971 4.188 1.00 0.00 C ATOM 422 CG LYS A 27 -3.326 -5.089 3.075 1.00 0.00 C ATOM 423 CD LYS A 27 -3.900 -3.734 2.700 1.00 0.00 C ATOM 424 CE LYS A 27 -3.450 -3.302 1.313 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.130 -2.054 0.872 1.00 0.00 N ATOM 0 H LYS A 27 -2.399 -7.209 3.159 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.390 -5.295 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.757 -5.268 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.004 -3.926 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.865 -5.545 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.132 -5.751 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.989 -3.777 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.588 -2.990 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.371 -3.147 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.657 -4.100 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.617 -1.645 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.106 -2.273 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.144 -1.370 1.656 1.00 0.00 H new ATOM 439 N ALA A 28 -0.797 -6.959 6.079 1.00 0.00 N ATOM 440 CA ALA A 28 -0.173 -7.263 7.358 1.00 0.00 C ATOM 441 C ALA A 28 1.304 -7.581 7.161 1.00 0.00 C ATOM 442 O ALA A 28 2.156 -7.119 7.918 1.00 0.00 O ATOM 443 CB ALA A 28 -0.884 -8.426 8.032 1.00 0.00 C ATOM 0 H ALA A 28 -1.627 -7.514 5.871 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.256 -6.389 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.405 -8.641 8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.929 -8.165 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.828 -9.307 7.392 1.00 0.00 H new ATOM 449 N LYS A 29 1.599 -8.366 6.128 1.00 0.00 N ATOM 450 CA LYS A 29 2.973 -8.735 5.821 1.00 0.00 C ATOM 451 C LYS A 29 3.795 -7.490 5.511 1.00 0.00 C ATOM 452 O LYS A 29 4.950 -7.377 5.922 1.00 0.00 O ATOM 453 CB LYS A 29 3.014 -9.702 4.637 1.00 0.00 C ATOM 454 CG LYS A 29 1.944 -10.781 4.693 1.00 0.00 C ATOM 455 CD LYS A 29 1.933 -11.483 6.040 1.00 0.00 C ATOM 456 CE LYS A 29 2.821 -12.716 6.033 1.00 0.00 C ATOM 457 NZ LYS A 29 4.267 -12.360 6.028 1.00 0.00 N ATOM 0 H LYS A 29 0.904 -8.757 5.492 1.00 0.00 H new ATOM 0 HA LYS A 29 3.402 -9.232 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.899 -9.136 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.995 -10.176 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.967 -10.336 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.119 -11.511 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.272 -10.794 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.912 -11.770 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.601 -13.327 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.593 -13.322 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.815 -13.126 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.588 -12.224 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.410 -11.480 6.564 1.00 0.00 H new ATOM 471 N ILE A 30 3.185 -6.554 4.790 1.00 0.00 N ATOM 472 CA ILE A 30 3.855 -5.310 4.431 1.00 0.00 C ATOM 473 C ILE A 30 4.126 -4.470 5.674 1.00 0.00 C ATOM 474 O ILE A 30 5.017 -3.620 5.683 1.00 0.00 O ATOM 475 CB ILE A 30 3.016 -4.482 3.438 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.502 -5.373 2.305 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.839 -3.330 2.882 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.814 -4.606 1.197 1.00 0.00 C ATOM 0 H ILE A 30 2.229 -6.634 4.444 1.00 0.00 H new ATOM 0 HA ILE A 30 4.798 -5.578 3.955 1.00 0.00 H new ATOM 0 HB ILE A 30 2.158 -4.067 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.339 -5.931 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.806 -6.104 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.233 -2.754 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.161 -2.685 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.714 -3.724 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.476 -5.301 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.957 -4.070 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.513 -3.894 0.759 1.00 0.00 H new ATOM 490 N GLN A 31 3.350 -4.719 6.724 1.00 0.00 N ATOM 491 CA GLN A 31 3.502 -3.992 7.979 1.00 0.00 C ATOM 492 C GLN A 31 4.522 -4.681 8.881 1.00 0.00 C ATOM 493 O GLN A 31 5.213 -4.031 9.665 1.00 0.00 O ATOM 494 CB GLN A 31 2.154 -3.889 8.696 1.00 0.00 C ATOM 495 CG GLN A 31 2.214 -3.102 9.995 1.00 0.00 C ATOM 496 CD GLN A 31 0.840 -2.701 10.496 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.163 -3.340 10.175 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.786 -1.638 11.290 1.00 0.00 N ATOM 0 H GLN A 31 2.609 -5.420 6.730 1.00 0.00 H new ATOM 0 HA GLN A 31 3.862 -2.988 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.432 -3.418 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.786 -4.893 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.714 -3.701 10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.818 -2.207 9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.641 -1.137 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.111 -1.322 11.659 1.00 0.00 H new ATOM 507 N ASP A 32 4.608 -6.002 8.767 1.00 0.00 N ATOM 508 CA ASP A 32 5.537 -6.781 9.569 1.00 0.00 C ATOM 509 C ASP A 32 6.936 -6.767 8.954 1.00 0.00 C ATOM 510 O ASP A 32 7.906 -7.192 9.582 1.00 0.00 O ATOM 511 CB ASP A 32 5.011 -8.217 9.716 1.00 0.00 C ATOM 512 CG ASP A 32 5.742 -9.226 8.846 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.714 -9.072 7.606 1.00 0.00 O ATOM 514 OD2 ASP A 32 6.342 -10.167 9.406 1.00 0.00 O ATOM 0 H ASP A 32 4.042 -6.555 8.123 1.00 0.00 H new ATOM 0 HA ASP A 32 5.613 -6.332 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.096 -8.521 10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.951 -8.234 9.464 1.00 0.00 H new ATOM 519 N LYS A 33 7.031 -6.279 7.720 1.00 0.00 N ATOM 520 CA LYS A 33 8.309 -6.214 7.020 1.00 0.00 C ATOM 521 C LYS A 33 8.731 -4.768 6.779 1.00 0.00 C ATOM 522 O LYS A 33 9.758 -4.317 7.288 1.00 0.00 O ATOM 523 CB LYS A 33 8.221 -6.956 5.685 1.00 0.00 C ATOM 524 CG LYS A 33 8.497 -8.446 5.795 1.00 0.00 C ATOM 525 CD LYS A 33 8.509 -9.113 4.430 1.00 0.00 C ATOM 526 CE LYS A 33 8.585 -10.627 4.549 1.00 0.00 C ATOM 527 NZ LYS A 33 9.904 -11.155 4.108 1.00 0.00 N ATOM 0 H LYS A 33 6.239 -5.923 7.185 1.00 0.00 H new ATOM 0 HA LYS A 33 9.060 -6.692 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.227 -6.810 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.932 -6.514 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.457 -8.604 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.737 -8.912 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.610 -8.835 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.360 -8.749 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.405 -10.919 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.795 -11.078 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.132 -12.014 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.865 -11.383 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.638 -10.437 4.274 1.00 0.00 H new ATOM 541 N GLU A 34 7.936 -4.046 5.997 1.00 0.00 N ATOM 542 CA GLU A 34 8.229 -2.653 5.684 1.00 0.00 C ATOM 543 C GLU A 34 7.597 -1.716 6.708 1.00 0.00 C ATOM 544 O GLU A 34 8.019 -0.569 6.858 1.00 0.00 O ATOM 545 CB GLU A 34 7.724 -2.308 4.282 1.00 0.00 C ATOM 546 CG GLU A 34 8.529 -2.957 3.167 1.00 0.00 C ATOM 547 CD GLU A 34 9.985 -3.156 3.538 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.766 -2.188 3.420 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.346 -4.280 3.947 1.00 0.00 O ATOM 0 H GLU A 34 7.082 -4.403 5.568 1.00 0.00 H new ATOM 0 HA GLU A 34 9.310 -2.521 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.683 -2.617 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.747 -1.226 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.086 -3.922 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.467 -2.338 2.272 1.00 0.00 H new ATOM 556 N GLY A 35 6.583 -2.209 7.411 1.00 0.00 N ATOM 557 CA GLY A 35 5.913 -1.400 8.412 1.00 0.00 C ATOM 558 C GLY A 35 5.032 -0.331 7.799 1.00 0.00 C ATOM 559 O GLY A 35 5.029 0.815 8.249 1.00 0.00 O ATOM 0 H GLY A 35 6.213 -3.154 7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.307 -2.044 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.659 -0.929 9.052 1.00 0.00 H new ATOM 563 N ILE A 36 4.281 -0.704 6.767 1.00 0.00 N ATOM 564 CA ILE A 36 3.393 0.234 6.092 1.00 0.00 C ATOM 565 C ILE A 36 1.930 -0.119 6.338 1.00 0.00 C ATOM 566 O ILE A 36 1.529 -1.275 6.203 1.00 0.00 O ATOM 567 CB ILE A 36 3.655 0.264 4.575 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.125 0.587 4.299 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.746 1.280 3.900 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.635 0.021 2.992 1.00 0.00 C ATOM 0 H ILE A 36 4.270 -1.648 6.381 1.00 0.00 H new ATOM 0 HA ILE A 36 3.600 1.220 6.508 1.00 0.00 H new ATOM 0 HB ILE A 36 3.434 -0.720 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.255 1.669 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.733 0.198 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.943 1.289 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.705 1.009 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.938 2.270 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.684 0.290 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.537 -1.065 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.052 0.429 2.167 1.00 0.00 H new ATOM 582 N PRO A 37 1.115 0.880 6.706 1.00 0.00 N ATOM 583 CA PRO A 37 -0.313 0.683 6.974 1.00 0.00 C ATOM 584 C PRO A 37 -1.048 0.080 5.783 1.00 0.00 C ATOM 585 O PRO A 37 -0.703 0.340 4.630 1.00 0.00 O ATOM 586 CB PRO A 37 -0.827 2.098 7.258 1.00 0.00 C ATOM 587 CG PRO A 37 0.382 2.870 7.665 1.00 0.00 C ATOM 588 CD PRO A 37 1.524 2.282 6.889 1.00 0.00 C ATOM 0 HA PRO A 37 -0.478 -0.015 7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.295 2.533 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.578 2.095 8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.262 3.930 7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.555 2.788 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.666 2.789 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.465 2.360 7.434 1.00 0.00 H new ATOM 596 N PRO A 38 -2.075 -0.739 6.051 1.00 0.00 N ATOM 597 CA PRO A 38 -2.869 -1.390 5.002 1.00 0.00 C ATOM 598 C PRO A 38 -3.511 -0.384 4.051 1.00 0.00 C ATOM 599 O PRO A 38 -3.416 -0.520 2.832 1.00 0.00 O ATOM 600 CB PRO A 38 -3.949 -2.149 5.783 1.00 0.00 C ATOM 601 CG PRO A 38 -3.391 -2.311 7.155 1.00 0.00 C ATOM 602 CD PRO A 38 -2.540 -1.098 7.400 1.00 0.00 C ATOM 0 HA PRO A 38 -2.254 -2.030 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.887 -1.593 5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.160 -3.116 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.188 -2.384 7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.801 -3.224 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.111 -0.290 7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.707 -1.318 8.068 1.00 0.00 H new ATOM 610 N ASP A 39 -4.168 0.623 4.619 1.00 0.00 N ATOM 611 CA ASP A 39 -4.831 1.651 3.822 1.00 0.00 C ATOM 612 C ASP A 39 -3.814 2.570 3.153 1.00 0.00 C ATOM 613 O ASP A 39 -4.182 3.464 2.390 1.00 0.00 O ATOM 614 CB ASP A 39 -5.778 2.472 4.699 1.00 0.00 C ATOM 615 CG ASP A 39 -7.173 2.568 4.113 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.304 2.473 2.874 1.00 0.00 O ATOM 617 OD2 ASP A 39 -8.134 2.738 4.892 1.00 0.00 O ATOM 0 H ASP A 39 -4.256 0.749 5.627 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.406 1.152 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.834 2.021 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.371 3.475 4.828 1.00 0.00 H new ATOM 622 N GLN A 40 -2.535 2.350 3.442 1.00 0.00 N ATOM 623 CA GLN A 40 -1.472 3.163 2.863 1.00 0.00 C ATOM 624 C GLN A 40 -0.741 2.404 1.761 1.00 0.00 C ATOM 625 O GLN A 40 0.309 2.838 1.287 1.00 0.00 O ATOM 626 CB GLN A 40 -0.480 3.592 3.946 1.00 0.00 C ATOM 627 CG GLN A 40 -0.956 4.773 4.776 1.00 0.00 C ATOM 628 CD GLN A 40 0.073 5.885 4.850 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.610 6.318 3.831 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.352 6.352 6.062 1.00 0.00 N ATOM 0 H GLN A 40 -2.210 1.617 4.073 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.929 4.051 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.290 2.747 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.469 3.848 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.879 5.165 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.191 4.433 5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.118 5.963 6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.036 7.100 6.175 1.00 0.00 H new ATOM 639 N GLN A 41 -1.301 1.269 1.356 1.00 0.00 N ATOM 640 CA GLN A 41 -0.699 0.453 0.307 1.00 0.00 C ATOM 641 C GLN A 41 -1.691 0.203 -0.824 1.00 0.00 C ATOM 642 O GLN A 41 -2.763 -0.361 -0.610 1.00 0.00 O ATOM 643 CB GLN A 41 -0.213 -0.881 0.879 1.00 0.00 C ATOM 644 CG GLN A 41 -0.269 -0.956 2.397 1.00 0.00 C ATOM 645 CD GLN A 41 -0.275 -2.383 2.909 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.447 -3.330 2.142 1.00 0.00 O ATOM 647 NE2 GLN A 41 -0.087 -2.545 4.214 1.00 0.00 N ATOM 0 H GLN A 41 -2.169 0.893 1.737 1.00 0.00 H new ATOM 0 HA GLN A 41 0.155 0.998 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.818 -1.686 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.813 -1.053 0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.587 -0.427 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.164 -0.443 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.052 -1.732 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.081 -3.482 4.616 1.00 0.00 H new ATOM 656 N ARG A 42 -1.324 0.627 -2.029 1.00 0.00 N ATOM 657 CA ARG A 42 -2.179 0.449 -3.196 1.00 0.00 C ATOM 658 C ARG A 42 -1.615 -0.622 -4.124 1.00 0.00 C ATOM 659 O ARG A 42 -0.676 -0.371 -4.879 1.00 0.00 O ATOM 660 CB ARG A 42 -2.327 1.770 -3.953 1.00 0.00 C ATOM 661 CG ARG A 42 -3.725 2.005 -4.499 1.00 0.00 C ATOM 662 CD ARG A 42 -3.969 3.475 -4.800 1.00 0.00 C ATOM 663 NE ARG A 42 -4.316 3.696 -6.202 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.823 4.834 -6.666 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.041 5.849 -5.843 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.111 4.956 -7.955 1.00 0.00 N ATOM 0 H ARG A 42 -0.439 1.097 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.161 0.125 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.063 2.592 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.616 1.787 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.865 1.419 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.462 1.654 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.773 3.847 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.076 4.049 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.160 2.934 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.820 5.758 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.430 6.721 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.944 4.176 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.500 5.829 -8.310 1.00 0.00 H new ATOM 680 N LEU A 43 -2.193 -1.816 -4.062 1.00 0.00 N ATOM 681 CA LEU A 43 -1.748 -2.926 -4.895 1.00 0.00 C ATOM 682 C LEU A 43 -2.498 -2.947 -6.223 1.00 0.00 C ATOM 683 O LEU A 43 -3.655 -3.360 -6.288 1.00 0.00 O ATOM 684 CB LEU A 43 -1.948 -4.254 -4.162 1.00 0.00 C ATOM 685 CG LEU A 43 -1.523 -4.254 -2.693 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.154 -5.659 -2.243 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.356 -3.301 -2.478 1.00 0.00 C ATOM 0 H LEU A 43 -2.972 -2.040 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.686 -2.789 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.001 -4.528 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.388 -5.029 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.365 -3.912 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.854 -5.639 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.015 -6.317 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.328 -6.030 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.066 -3.313 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.488 -3.615 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.654 -2.291 -2.761 1.00 0.00 H new ATOM 699 N ILE A 44 -1.828 -2.500 -7.280 1.00 0.00 N ATOM 700 CA ILE A 44 -2.429 -2.468 -8.608 1.00 0.00 C ATOM 701 C ILE A 44 -1.837 -3.553 -9.501 1.00 0.00 C ATOM 702 O ILE A 44 -0.919 -3.298 -10.280 1.00 0.00 O ATOM 703 CB ILE A 44 -2.229 -1.097 -9.282 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.785 0.018 -8.395 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.896 -1.078 -10.650 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.589 1.404 -8.972 1.00 0.00 C ATOM 0 H ILE A 44 -0.869 -2.155 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.496 -2.647 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.161 -0.927 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.850 -0.153 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.304 -0.032 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.746 -0.103 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.456 -1.851 -11.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.964 -1.266 -10.537 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.007 2.144 -8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.524 1.595 -9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.094 1.472 -9.935 1.00 0.00 H new ATOM 718 N PHE A 45 -2.368 -4.765 -9.381 1.00 0.00 N ATOM 719 CA PHE A 45 -1.893 -5.891 -10.176 1.00 0.00 C ATOM 720 C PHE A 45 -2.538 -5.894 -11.559 1.00 0.00 C ATOM 721 O PHE A 45 -3.762 -5.955 -11.683 1.00 0.00 O ATOM 722 CB PHE A 45 -2.189 -7.210 -9.459 1.00 0.00 C ATOM 723 CG PHE A 45 -1.566 -8.407 -10.117 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.242 -8.370 -10.546 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.300 -9.571 -10.309 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.335 -9.475 -11.153 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.727 -10.679 -10.915 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.408 -10.630 -11.338 1.00 0.00 C ATOM 0 H PHE A 45 -3.128 -4.993 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.815 -5.786 -10.299 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.831 -7.143 -8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.268 -7.353 -9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.341 -7.472 -10.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.329 -9.613 -9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.363 -9.436 -11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.308 -11.579 -11.057 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.040 -11.491 -11.811 1.00 0.00 H new ATOM 738 N ALA A 46 -1.707 -5.830 -12.594 1.00 0.00 N ATOM 739 CA ALA A 46 -2.195 -5.827 -13.968 1.00 0.00 C ATOM 740 C ALA A 46 -3.025 -4.580 -14.254 1.00 0.00 C ATOM 741 O ALA A 46 -3.693 -4.490 -15.284 1.00 0.00 O ATOM 742 CB ALA A 46 -3.015 -7.081 -14.239 1.00 0.00 C ATOM 0 H ALA A 46 -0.692 -5.779 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.332 -5.818 -14.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.373 -7.066 -15.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.393 -7.963 -14.084 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.866 -7.113 -13.559 1.00 0.00 H new ATOM 748 N GLY A 47 -2.978 -3.621 -13.336 1.00 0.00 N ATOM 749 CA GLY A 47 -3.729 -2.392 -13.508 1.00 0.00 C ATOM 750 C GLY A 47 -4.927 -2.313 -12.582 1.00 0.00 C ATOM 751 O GLY A 47 -5.469 -1.232 -12.349 1.00 0.00 O ATOM 0 H GLY A 47 -2.433 -3.673 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.074 -1.540 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.067 -2.317 -14.542 1.00 0.00 H new ATOM 755 N LYS A 48 -5.341 -3.460 -12.054 1.00 0.00 N ATOM 756 CA LYS A 48 -6.482 -3.517 -11.148 1.00 0.00 C ATOM 757 C LYS A 48 -6.026 -3.426 -9.696 1.00 0.00 C ATOM 758 O LYS A 48 -5.034 -4.041 -9.305 1.00 0.00 O ATOM 759 CB LYS A 48 -7.270 -4.810 -11.368 1.00 0.00 C ATOM 760 CG LYS A 48 -7.413 -5.193 -12.832 1.00 0.00 C ATOM 761 CD LYS A 48 -6.893 -6.598 -13.094 1.00 0.00 C ATOM 762 CE LYS A 48 -8.012 -7.624 -13.037 1.00 0.00 C ATOM 763 NZ LYS A 48 -7.510 -8.972 -12.647 1.00 0.00 N ATOM 0 H LYS A 48 -4.903 -4.363 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.128 -2.666 -11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.776 -5.622 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.263 -4.700 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.461 -5.131 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.867 -4.481 -13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.414 -6.634 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.130 -6.848 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.768 -7.297 -12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.498 -7.685 -14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.294 -9.536 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.117 -9.451 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.768 -8.871 -11.925 1.00 0.00 H new ATOM 777 N GLN A 49 -6.757 -2.652 -8.900 1.00 0.00 N ATOM 778 CA GLN A 49 -6.427 -2.477 -7.490 1.00 0.00 C ATOM 779 C GLN A 49 -7.114 -3.537 -6.634 1.00 0.00 C ATOM 780 O GLN A 49 -8.329 -3.724 -6.716 1.00 0.00 O ATOM 781 CB GLN A 49 -6.837 -1.081 -7.021 1.00 0.00 C ATOM 782 CG GLN A 49 -6.355 -0.744 -5.620 1.00 0.00 C ATOM 783 CD GLN A 49 -7.014 0.502 -5.060 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.751 1.615 -5.515 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.877 0.320 -4.068 1.00 0.00 N ATOM 0 H GLN A 49 -7.582 -2.136 -9.207 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.349 -2.589 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.443 -0.342 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.924 -1.001 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.557 -1.586 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.274 -0.603 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.065 -0.621 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.352 1.121 -3.652 1.00 0.00 H new ATOM 794 N LEU A 50 -6.330 -4.227 -5.811 1.00 0.00 N ATOM 795 CA LEU A 50 -6.863 -5.267 -4.940 1.00 0.00 C ATOM 796 C LEU A 50 -7.716 -4.661 -3.831 1.00 0.00 C ATOM 797 O LEU A 50 -7.366 -3.629 -3.258 1.00 0.00 O ATOM 798 CB LEU A 50 -5.724 -6.087 -4.332 1.00 0.00 C ATOM 799 CG LEU A 50 -4.682 -6.589 -5.332 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.357 -6.854 -4.633 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.178 -7.845 -6.032 1.00 0.00 C ATOM 0 H LEU A 50 -5.323 -4.084 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.492 -5.923 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.220 -5.479 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.151 -6.946 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.525 -5.816 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.627 -7.211 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.995 -5.932 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.498 -7.609 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.424 -8.189 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.364 -8.624 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.102 -7.623 -6.565 1.00 0.00 H new ATOM 813 N GLU A 51 -8.838 -5.308 -3.532 1.00 0.00 N ATOM 814 CA GLU A 51 -9.742 -4.833 -2.492 1.00 0.00 C ATOM 815 C GLU A 51 -9.494 -5.572 -1.179 1.00 0.00 C ATOM 816 O GLU A 51 -9.433 -6.800 -1.149 1.00 0.00 O ATOM 817 CB GLU A 51 -11.196 -5.015 -2.927 1.00 0.00 C ATOM 818 CG GLU A 51 -11.702 -3.902 -3.831 1.00 0.00 C ATOM 819 CD GLU A 51 -10.707 -3.530 -4.911 1.00 0.00 C ATOM 820 OE1 GLU A 51 -10.314 -4.424 -5.690 1.00 0.00 O ATOM 821 OE2 GLU A 51 -10.319 -2.344 -4.978 1.00 0.00 O ATOM 0 H GLU A 51 -9.143 -6.164 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.549 -3.772 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.295 -5.968 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.828 -5.068 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.637 -4.214 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.924 -3.022 -3.228 1.00 0.00 H new ATOM 828 N ASP A 52 -9.354 -4.814 -0.097 1.00 0.00 N ATOM 829 CA ASP A 52 -9.114 -5.396 1.218 1.00 0.00 C ATOM 830 C ASP A 52 -10.268 -6.302 1.632 1.00 0.00 C ATOM 831 O ASP A 52 -11.334 -5.827 2.024 1.00 0.00 O ATOM 832 CB ASP A 52 -8.918 -4.294 2.260 1.00 0.00 C ATOM 833 CG ASP A 52 -7.544 -4.340 2.900 1.00 0.00 C ATOM 834 OD1 ASP A 52 -6.864 -5.380 2.773 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.148 -3.337 3.529 1.00 0.00 O ATOM 0 H ASP A 52 -9.403 -3.795 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.207 -5.997 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.064 -3.322 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.680 -4.390 3.034 1.00 0.00 H new ATOM 840 N GLY A 53 -10.047 -7.610 1.545 1.00 0.00 N ATOM 841 CA GLY A 53 -11.078 -8.561 1.917 1.00 0.00 C ATOM 842 C GLY A 53 -11.214 -9.690 0.914 1.00 0.00 C ATOM 843 O GLY A 53 -11.931 -10.661 1.157 1.00 0.00 O ATOM 0 H GLY A 53 -9.174 -8.028 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.848 -8.976 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.032 -8.042 2.006 1.00 0.00 H new ATOM 847 N ARG A 54 -10.524 -9.563 -0.215 1.00 0.00 N ATOM 848 CA ARG A 54 -10.572 -10.582 -1.258 1.00 0.00 C ATOM 849 C ARG A 54 -9.351 -11.494 -1.188 1.00 0.00 C ATOM 850 O ARG A 54 -8.285 -11.085 -0.729 1.00 0.00 O ATOM 851 CB ARG A 54 -10.653 -9.924 -2.637 1.00 0.00 C ATOM 852 CG ARG A 54 -11.865 -9.025 -2.810 1.00 0.00 C ATOM 853 CD ARG A 54 -13.153 -9.750 -2.457 1.00 0.00 C ATOM 854 NE ARG A 54 -14.165 -9.607 -3.499 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.855 -8.491 -3.708 1.00 0.00 C ATOM 856 NH1 ARG A 54 -14.644 -7.427 -2.946 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.758 -8.438 -4.678 1.00 0.00 N ATOM 0 H ARG A 54 -9.926 -8.766 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.463 -11.188 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.749 -9.338 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.675 -10.701 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.758 -8.143 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.915 -8.674 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.942 -10.808 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.543 -9.359 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.353 -10.409 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.951 -7.464 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.174 -6.571 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.924 -9.255 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.286 -7.580 -4.836 1.00 0.00 H new ATOM 871 N THR A 55 -9.515 -12.731 -1.647 1.00 0.00 N ATOM 872 CA THR A 55 -8.426 -13.700 -1.636 1.00 0.00 C ATOM 873 C THR A 55 -7.625 -13.635 -2.933 1.00 0.00 C ATOM 874 O THR A 55 -8.178 -13.382 -4.003 1.00 0.00 O ATOM 875 CB THR A 55 -8.974 -15.113 -1.431 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.599 -15.584 -2.612 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.986 -15.205 -0.309 1.00 0.00 C ATOM 0 H THR A 55 -10.391 -13.085 -2.031 1.00 0.00 H new ATOM 0 HA THR A 55 -7.762 -13.452 -0.808 1.00 0.00 H new ATOM 0 HB THR A 55 -8.109 -15.724 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.942 -16.490 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.335 -16.234 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.521 -14.894 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.832 -14.553 -0.528 1.00 0.00 H new ATOM 885 N LEU A 56 -6.320 -13.866 -2.828 1.00 0.00 N ATOM 886 CA LEU A 56 -5.442 -13.834 -3.992 1.00 0.00 C ATOM 887 C LEU A 56 -6.006 -14.690 -5.122 1.00 0.00 C ATOM 888 O LEU A 56 -5.868 -14.353 -6.298 1.00 0.00 O ATOM 889 CB LEU A 56 -4.043 -14.326 -3.616 1.00 0.00 C ATOM 890 CG LEU A 56 -3.461 -13.713 -2.341 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.949 -13.880 -2.312 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.839 -12.243 -2.237 1.00 0.00 C ATOM 0 H LEU A 56 -5.848 -14.077 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.377 -12.802 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.075 -15.409 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.366 -14.115 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.881 -14.237 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.552 -13.438 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.699 -14.941 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.511 -13.381 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.417 -11.822 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.447 -11.705 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.925 -12.147 -2.212 1.00 0.00 H new ATOM 904 N SER A 57 -6.641 -15.798 -4.756 1.00 0.00 N ATOM 905 CA SER A 57 -7.225 -16.705 -5.737 1.00 0.00 C ATOM 906 C SER A 57 -8.472 -16.096 -6.367 1.00 0.00 C ATOM 907 O SER A 57 -8.981 -16.597 -7.370 1.00 0.00 O ATOM 908 CB SER A 57 -7.572 -18.042 -5.080 1.00 0.00 C ATOM 909 OG SER A 57 -8.408 -18.821 -5.918 1.00 0.00 O ATOM 0 H SER A 57 -6.764 -16.090 -3.786 1.00 0.00 H new ATOM 0 HA SER A 57 -6.489 -16.873 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.656 -18.592 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.071 -17.864 -4.128 1.00 0.00 H new ATOM 0 HG SER A 57 -8.815 -18.246 -6.600 1.00 0.00 H new ATOM 915 N ASP A 58 -8.963 -15.014 -5.772 1.00 0.00 N ATOM 916 CA ASP A 58 -10.154 -14.339 -6.275 1.00 0.00 C ATOM 917 C ASP A 58 -9.796 -13.337 -7.370 1.00 0.00 C ATOM 918 O ASP A 58 -10.679 -12.747 -7.994 1.00 0.00 O ATOM 919 CB ASP A 58 -10.880 -13.626 -5.133 1.00 0.00 C ATOM 920 CG ASP A 58 -11.532 -14.595 -4.168 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.893 -15.710 -4.599 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.682 -14.240 -2.979 1.00 0.00 O ATOM 0 H ASP A 58 -8.555 -14.586 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.814 -15.094 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.172 -12.999 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.640 -12.963 -5.547 1.00 0.00 H new ATOM 927 N TYR A 59 -8.501 -13.149 -7.598 1.00 0.00 N ATOM 928 CA TYR A 59 -8.033 -12.217 -8.618 1.00 0.00 C ATOM 929 C TYR A 59 -7.334 -12.956 -9.754 1.00 0.00 C ATOM 930 O TYR A 59 -7.915 -13.172 -10.817 1.00 0.00 O ATOM 931 CB TYR A 59 -7.085 -11.188 -8.001 1.00 0.00 C ATOM 932 CG TYR A 59 -7.793 -9.990 -7.409 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.370 -9.022 -8.229 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.887 -9.826 -6.028 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.020 -7.923 -7.690 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.536 -8.731 -5.480 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.101 -7.783 -6.315 1.00 0.00 C ATOM 938 OH TYR A 59 -9.746 -6.694 -5.776 1.00 0.00 O ATOM 0 H TYR A 59 -7.757 -13.629 -7.091 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.901 -11.701 -9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.494 -11.671 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.387 -10.846 -8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.310 -9.130 -9.302 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.447 -10.564 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.461 -7.180 -8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.600 -8.618 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.518 -5.891 -6.290 1.00 0.00 H new ATOM 948 N ASN A 60 -6.082 -13.339 -9.524 1.00 0.00 N ATOM 949 CA ASN A 60 -5.303 -14.053 -10.531 1.00 0.00 C ATOM 950 C ASN A 60 -3.815 -14.015 -10.195 1.00 0.00 C ATOM 951 O ASN A 60 -2.976 -13.830 -11.075 1.00 0.00 O ATOM 952 CB ASN A 60 -5.541 -13.442 -11.912 1.00 0.00 C ATOM 953 CG ASN A 60 -5.493 -11.927 -11.891 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.554 -11.308 -10.829 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.383 -11.321 -13.066 1.00 0.00 N ATOM 0 H ASN A 60 -5.585 -13.167 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.628 -15.093 -10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.789 -13.817 -12.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.511 -13.767 -12.287 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.346 -10.303 -13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.336 -11.873 -13.922 1.00 0.00 H new ATOM 962 N LEU A 61 -3.497 -14.191 -8.917 1.00 0.00 N ATOM 963 CA LEU A 61 -2.111 -14.175 -8.465 1.00 0.00 C ATOM 964 C LEU A 61 -1.459 -15.543 -8.648 1.00 0.00 C ATOM 965 O LEU A 61 -1.909 -16.537 -8.079 1.00 0.00 O ATOM 966 CB LEU A 61 -2.036 -13.757 -6.996 1.00 0.00 C ATOM 967 CG LEU A 61 -2.231 -12.262 -6.739 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.899 -11.531 -6.807 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.217 -11.674 -7.736 1.00 0.00 C ATOM 0 H LEU A 61 -4.180 -14.346 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.568 -13.450 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.793 -14.308 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.066 -14.055 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.640 -12.135 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.057 -10.469 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.224 -11.934 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.460 -11.665 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.343 -10.610 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.837 -11.812 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.178 -12.178 -7.637 1.00 0.00 H new ATOM 981 N GLN A 62 -0.395 -15.583 -9.442 1.00 0.00 N ATOM 982 CA GLN A 62 0.322 -16.826 -9.697 1.00 0.00 C ATOM 983 C GLN A 62 1.578 -16.914 -8.836 1.00 0.00 C ATOM 984 O GLN A 62 1.903 -15.981 -8.101 1.00 0.00 O ATOM 985 CB GLN A 62 0.697 -16.930 -11.178 1.00 0.00 C ATOM 986 CG GLN A 62 -0.502 -16.927 -12.112 1.00 0.00 C ATOM 987 CD GLN A 62 -0.120 -16.651 -13.552 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.172 -17.540 -14.402 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.269 -15.412 -13.834 1.00 0.00 N ATOM 0 H GLN A 62 -0.010 -14.768 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.336 -17.656 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.351 -16.098 -11.438 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.268 -17.845 -11.336 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.006 -17.892 -12.053 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.215 -16.173 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.297 -14.706 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.539 -15.167 -14.786 1.00 0.00 H new ATOM 998 N LYS A 63 2.278 -18.039 -8.929 1.00 0.00 N ATOM 999 CA LYS A 63 3.498 -18.244 -8.155 1.00 0.00 C ATOM 1000 C LYS A 63 4.568 -17.233 -8.554 1.00 0.00 C ATOM 1001 O LYS A 63 5.019 -17.210 -9.699 1.00 0.00 O ATOM 1002 CB LYS A 63 4.023 -19.666 -8.355 1.00 0.00 C ATOM 1003 CG LYS A 63 4.208 -20.434 -7.057 1.00 0.00 C ATOM 1004 CD LYS A 63 4.851 -21.790 -7.298 1.00 0.00 C ATOM 1005 CE LYS A 63 6.219 -21.883 -6.642 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.881 -23.187 -6.918 1.00 0.00 N ATOM 0 H LYS A 63 2.023 -18.822 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 63 3.259 -18.099 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.331 -20.213 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.977 -19.622 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.828 -19.853 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.241 -20.570 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.204 -22.575 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.948 -21.962 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.851 -21.072 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.115 -21.750 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.811 -23.210 -6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.291 -23.961 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.004 -23.303 -7.944 1.00 0.00 H new ATOM 1020 N GLU A 64 4.970 -16.398 -7.602 1.00 0.00 N ATOM 1021 CA GLU A 64 5.988 -15.384 -7.856 1.00 0.00 C ATOM 1022 C GLU A 64 5.519 -14.398 -8.922 1.00 0.00 C ATOM 1023 O GLU A 64 5.943 -14.466 -10.075 1.00 0.00 O ATOM 1024 CB GLU A 64 7.297 -16.045 -8.294 1.00 0.00 C ATOM 1025 CG GLU A 64 7.788 -17.114 -7.332 1.00 0.00 C ATOM 1026 CD GLU A 64 8.960 -17.902 -7.886 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.772 -18.616 -8.894 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.065 -17.804 -7.312 1.00 0.00 O ATOM 0 H GLU A 64 4.607 -16.403 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 64 6.159 -14.835 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.158 -16.490 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.065 -15.279 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.081 -16.645 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.970 -17.798 -7.105 1.00 0.00 H new ATOM 1035 N SER A 65 4.640 -13.482 -8.526 1.00 0.00 N ATOM 1036 CA SER A 65 4.112 -12.481 -9.446 1.00 0.00 C ATOM 1037 C SER A 65 4.674 -11.100 -9.124 1.00 0.00 C ATOM 1038 O SER A 65 5.523 -10.955 -8.245 1.00 0.00 O ATOM 1039 CB SER A 65 2.584 -12.453 -9.378 1.00 0.00 C ATOM 1040 OG SER A 65 2.048 -13.764 -9.375 1.00 0.00 O ATOM 0 H SER A 65 4.279 -13.413 -7.575 1.00 0.00 H new ATOM 0 HA SER A 65 4.418 -12.752 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.267 -11.925 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.189 -11.898 -10.229 1.00 0.00 H new ATOM 0 HG SER A 65 2.261 -14.203 -8.525 1.00 0.00 H new ATOM 1046 N THR A 66 4.192 -10.088 -9.839 1.00 0.00 N ATOM 1047 CA THR A 66 4.647 -8.719 -9.629 1.00 0.00 C ATOM 1048 C THR A 66 3.463 -7.775 -9.442 1.00 0.00 C ATOM 1049 O THR A 66 2.497 -7.815 -10.205 1.00 0.00 O ATOM 1050 CB THR A 66 5.502 -8.256 -10.810 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.720 -8.976 -10.859 1.00 0.00 O ATOM 1052 CG2 THR A 66 5.842 -6.782 -10.761 1.00 0.00 C ATOM 0 H THR A 66 3.487 -10.191 -10.569 1.00 0.00 H new ATOM 0 HA THR A 66 5.252 -8.699 -8.722 1.00 0.00 H new ATOM 0 HB THR A 66 4.896 -8.443 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.252 -8.667 -11.622 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.450 -6.520 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.923 -6.196 -10.772 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.399 -6.567 -9.849 1.00 0.00 H new ATOM 1060 N ILE A 67 3.545 -6.926 -8.422 1.00 0.00 N ATOM 1061 CA ILE A 67 2.481 -5.971 -8.135 1.00 0.00 C ATOM 1062 C ILE A 67 3.053 -4.597 -7.803 1.00 0.00 C ATOM 1063 O ILE A 67 4.054 -4.484 -7.096 1.00 0.00 O ATOM 1064 CB ILE A 67 1.598 -6.449 -6.965 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.771 -7.666 -7.385 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.688 -5.325 -6.488 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.478 -8.984 -7.161 1.00 0.00 C ATOM 0 H ILE A 67 4.337 -6.880 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 67 1.868 -5.897 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 67 2.247 -6.739 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.167 -7.667 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.516 -7.575 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.072 -5.681 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.294 -4.484 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.045 -5.005 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.833 -9.802 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.402 -9.004 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.709 -9.097 -6.102 1.00 0.00 H new ATOM 1079 N HIS A 68 2.410 -3.555 -8.320 1.00 0.00 N ATOM 1080 CA HIS A 68 2.853 -2.186 -8.079 1.00 0.00 C ATOM 1081 C HIS A 68 2.188 -1.610 -6.835 1.00 0.00 C ATOM 1082 O HIS A 68 0.978 -1.385 -6.813 1.00 0.00 O ATOM 1083 CB HIS A 68 2.541 -1.308 -9.293 1.00 0.00 C ATOM 1084 CG HIS A 68 3.146 -1.811 -10.566 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.308 -1.023 -11.687 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.630 -3.032 -10.895 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.864 -1.738 -12.649 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.070 -2.960 -12.193 1.00 0.00 N ATOM 0 H HIS A 68 1.580 -3.632 -8.909 1.00 0.00 H new ATOM 0 HA HIS A 68 3.931 -2.201 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.460 -1.242 -9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.903 -0.297 -9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.664 -3.901 -10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.108 -1.383 -13.639 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.488 -3.726 -12.720 1.00 0.00 H new ATOM 1097 N LEU A 69 2.987 -1.371 -5.799 1.00 0.00 N ATOM 1098 CA LEU A 69 2.473 -0.820 -4.550 1.00 0.00 C ATOM 1099 C LEU A 69 2.720 0.683 -4.476 1.00 0.00 C ATOM 1100 O LEU A 69 3.846 1.127 -4.254 1.00 0.00 O ATOM 1101 CB LEU A 69 3.127 -1.515 -3.353 1.00 0.00 C ATOM 1102 CG LEU A 69 2.772 -0.923 -1.988 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.131 -1.896 -0.874 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.480 0.408 -1.785 1.00 0.00 C ATOM 0 H LEU A 69 3.991 -1.550 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 69 1.398 -0.996 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.840 -2.567 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.209 -1.478 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 69 1.696 -0.749 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.871 -1.458 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.578 -2.825 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.201 -2.103 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.216 0.815 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.558 0.258 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.173 1.106 -2.564 1.00 0.00 H new ATOM 1116 N VAL A 70 1.659 1.461 -4.661 1.00 0.00 N ATOM 1117 CA VAL A 70 1.760 2.915 -4.614 1.00 0.00 C ATOM 1118 C VAL A 70 1.027 3.477 -3.401 1.00 0.00 C ATOM 1119 O VAL A 70 -0.030 2.976 -3.015 1.00 0.00 O ATOM 1120 CB VAL A 70 1.188 3.560 -5.890 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.018 3.173 -7.103 1.00 0.00 C ATOM 1122 CG2 VAL A 70 -0.268 3.165 -6.082 1.00 0.00 C ATOM 0 H VAL A 70 0.719 1.109 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 70 2.820 3.156 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 70 1.234 4.643 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.598 3.638 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.044 3.513 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.008 2.089 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.655 3.630 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.342 2.081 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.852 3.500 -5.225 1.00 0.00 H new ATOM 1132 N LEU A 71 1.594 4.520 -2.804 1.00 0.00 N ATOM 1133 CA LEU A 71 0.993 5.151 -1.634 1.00 0.00 C ATOM 1134 C LEU A 71 -0.333 5.814 -1.992 1.00 0.00 C ATOM 1135 O LEU A 71 -0.503 6.328 -3.099 1.00 0.00 O ATOM 1136 CB LEU A 71 1.950 6.185 -1.039 1.00 0.00 C ATOM 1137 CG LEU A 71 2.037 6.180 0.488 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.477 6.370 0.939 1.00 0.00 C ATOM 1139 CD2 LEU A 71 1.143 7.261 1.076 1.00 0.00 C ATOM 0 H LEU A 71 2.468 4.946 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 71 0.801 4.375 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.946 6.012 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.639 7.177 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 71 1.689 5.213 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.521 6.364 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.091 5.559 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.852 7.323 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.217 7.243 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.460 8.236 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.110 7.080 0.780 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.269 5.799 -1.049 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.580 6.400 -1.264 1.00 0.00 C ATOM 1153 C ARG A 72 -2.447 7.840 -1.747 1.00 0.00 C ATOM 1154 O ARG A 72 -1.888 8.688 -1.051 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.401 6.356 0.027 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.844 5.929 -0.184 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.811 6.863 0.527 1.00 0.00 C ATOM 1158 NE ARG A 72 -5.214 7.468 1.713 1.00 0.00 N ATOM 1159 CZ ARG A 72 -5.189 6.885 2.906 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -5.724 5.681 3.069 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -4.628 7.502 3.937 1.00 0.00 N ATOM 0 H ARG A 72 -1.144 5.377 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.094 5.825 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.926 5.668 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.387 7.342 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.068 5.915 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.981 4.912 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.128 7.648 -0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.705 6.310 0.813 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.792 8.392 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.155 5.203 2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.704 5.234 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.214 8.426 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.610 7.052 4.852 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.963 8.110 -2.941 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.902 9.449 -3.516 1.00 0.00 C ATOM 1177 C LEU A 73 -4.153 10.248 -3.167 1.00 0.00 C ATOM 1178 O LEU A 73 -5.267 9.728 -3.211 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.739 9.367 -5.035 1.00 0.00 C ATOM 1180 CG LEU A 73 -1.454 9.992 -5.581 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -1.500 11.507 -5.449 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -0.238 9.428 -4.862 1.00 0.00 C ATOM 0 H LEU A 73 -3.428 7.419 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.038 9.961 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.771 8.319 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.592 9.858 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.372 9.742 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.578 11.935 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.349 11.896 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.606 11.778 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.667 9.884 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.312 9.646 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.196 8.349 -5.010 1.00 0.00 H new ATOM 1194 N ARG A 74 -3.960 11.516 -2.821 1.00 0.00 N ATOM 1195 CA ARG A 74 -5.071 12.391 -2.464 1.00 0.00 C ATOM 1196 C ARG A 74 -6.288 12.111 -3.339 1.00 0.00 C ATOM 1197 O ARG A 74 -6.157 11.694 -4.490 1.00 0.00 O ATOM 1198 CB ARG A 74 -4.656 13.857 -2.600 1.00 0.00 C ATOM 1199 CG ARG A 74 -3.296 14.161 -1.993 1.00 0.00 C ATOM 1200 CD ARG A 74 -2.217 14.251 -3.061 1.00 0.00 C ATOM 1201 NE ARG A 74 -1.860 15.634 -3.363 1.00 0.00 N ATOM 1202 CZ ARG A 74 -1.238 16.007 -4.476 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -0.908 15.104 -5.389 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -0.945 17.285 -4.678 1.00 0.00 N ATOM 0 H ARG A 74 -3.043 11.961 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.339 12.191 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.642 14.126 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.407 14.485 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.344 15.101 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.035 13.384 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.330 13.712 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.565 13.760 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.102 16.354 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.132 14.120 -5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.430 15.393 -6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.197 17.983 -3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.467 17.570 -5.533 1.00 0.00 H new ATOM 1218 N GLY A 75 -7.474 12.346 -2.786 1.00 0.00 N ATOM 1219 CA GLY A 75 -8.697 12.113 -3.530 1.00 0.00 C ATOM 1220 C GLY A 75 -9.671 11.223 -2.783 1.00 0.00 C ATOM 1221 O GLY A 75 -10.711 11.685 -2.314 1.00 0.00 O ATOM 0 H GLY A 75 -7.609 12.693 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.175 13.069 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.453 11.655 -4.489 1.00 0.00 H new ATOM 1225 N GLY A 76 -9.331 9.943 -2.671 1.00 0.00 N ATOM 1226 CA GLY A 76 -10.194 9.007 -1.973 1.00 0.00 C ATOM 1227 C GLY A 76 -9.930 7.568 -2.370 1.00 0.00 C ATOM 1228 O GLY A 76 -10.015 7.260 -3.578 1.00 0.00 O ATOM 1229 OXT GLY A 76 -9.637 6.749 -1.474 1.00 0.00 O ATOM 0 H GLY A 76 -8.475 9.538 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.049 9.116 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.235 9.253 -2.181 1.00 0.00 H new TER 1233 GLY A 76