USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc= 0.552 K(o=0.55,f=-0.4) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00376 USER MOD Single : A -3 HIS : no HE2:sc= -2.55 K(o=-2.6,f=-5.6!) USER MOD Single : A -5 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.094) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.019 (180deg=-0.229) USER MOD Single : A 12 THR OG1 : rot -128:sc= 0.547 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.76 X(o=-2.8,f=-3.2!) USER MOD Single : A 20 GLN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.79) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0351 K(o=-0.035,f=-1.6) USER MOD Single : A 32 SER OG : rot 16:sc= 0.303 USER MOD Single : A 35 SER OG : rot 100:sc= -3.03! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.5!) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 64:sc= 0.0568 USER MOD Single : A -17 ASN : amide:sc= 0.183 K(o=0.18,f=-2.5!) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -14.740 -33.622 59.993 1.00 0.00 N ATOM 2 CA MET A -18 -14.653 -33.651 58.510 1.00 0.00 C ATOM 3 C MET A -18 -13.884 -32.446 57.979 1.00 0.00 C ATOM 4 O MET A -18 -14.006 -31.339 58.502 1.00 0.00 O ATOM 5 CB MET A -18 -16.075 -33.668 57.941 1.00 0.00 C ATOM 6 CG MET A -18 -16.330 -34.816 56.978 1.00 0.00 C ATOM 7 SD MET A -18 -15.970 -34.382 55.266 1.00 0.00 S ATOM 8 CE MET A -18 -17.625 -34.171 54.614 1.00 0.00 C ATOM 0 H1 MET A -18 -15.268 -34.454 60.326 1.00 0.00 H new ATOM 0 H2 MET A -18 -13.782 -33.636 60.397 1.00 0.00 H new ATOM 0 H3 MET A -18 -15.231 -32.756 60.295 1.00 0.00 H new ATOM 0 HA MET A -18 -14.113 -34.545 58.198 1.00 0.00 H new ATOM 0 HB2 MET A -18 -16.786 -33.730 58.764 1.00 0.00 H new ATOM 0 HB3 MET A -18 -16.264 -32.725 57.428 1.00 0.00 H new ATOM 0 HG2 MET A -18 -15.719 -35.671 57.268 1.00 0.00 H new ATOM 0 HG3 MET A -18 -17.372 -35.127 57.058 1.00 0.00 H new ATOM 0 HE1 MET A -18 -17.569 -33.900 53.560 1.00 0.00 H new ATOM 0 HE2 MET A -18 -18.179 -35.104 54.720 1.00 0.00 H new ATOM 0 HE3 MET A -18 -18.135 -33.381 55.165 1.00 0.00 H new ATOM 20 N ASN A -17 -13.091 -32.669 56.936 1.00 0.00 N ATOM 21 CA ASN A -17 -12.302 -31.602 56.333 1.00 0.00 C ATOM 22 C ASN A -17 -13.096 -30.883 55.247 1.00 0.00 C ATOM 23 O ASN A -17 -13.371 -31.449 54.189 1.00 0.00 O ATOM 24 CB ASN A -17 -11.006 -32.165 55.746 1.00 0.00 C ATOM 25 CG ASN A -17 -11.253 -33.347 54.830 1.00 0.00 C ATOM 26 OD1 ASN A -17 -11.622 -34.431 55.281 1.00 0.00 O ATOM 27 ND2 ASN A -17 -11.048 -33.143 53.533 1.00 0.00 N ATOM 0 H ASN A -17 -12.978 -33.580 56.491 1.00 0.00 H new ATOM 0 HA ASN A -17 -12.056 -30.882 57.114 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -10.490 -31.381 55.192 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -10.345 -32.469 56.557 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -11.197 -33.902 52.868 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -10.742 -32.228 53.203 1.00 0.00 H new ATOM 34 N SER A -16 -13.462 -29.634 55.516 1.00 0.00 N ATOM 35 CA SER A -16 -14.226 -28.839 54.562 1.00 0.00 C ATOM 36 C SER A -16 -13.298 -28.114 53.592 1.00 0.00 C ATOM 37 O SER A -16 -13.188 -26.886 53.615 1.00 0.00 O ATOM 38 CB SER A -16 -15.108 -27.829 55.298 1.00 0.00 C ATOM 39 OG SER A -16 -14.565 -27.506 56.567 1.00 0.00 O ATOM 0 H SER A -16 -13.242 -29.151 56.387 1.00 0.00 H new ATOM 0 HA SER A -16 -14.862 -29.515 53.990 1.00 0.00 H new ATOM 0 HB2 SER A -16 -15.206 -26.923 54.700 1.00 0.00 H new ATOM 0 HB3 SER A -16 -16.110 -28.239 55.422 1.00 0.00 H new ATOM 0 HG SER A -16 -13.699 -27.062 56.449 1.00 0.00 H new ATOM 45 N VAL A -15 -12.642 -28.880 52.729 1.00 0.00 N ATOM 46 CA VAL A -15 -11.727 -28.311 51.750 1.00 0.00 C ATOM 47 C VAL A -15 -12.429 -28.104 50.417 1.00 0.00 C ATOM 48 O VAL A -15 -12.053 -27.235 49.633 1.00 0.00 O ATOM 49 CB VAL A -15 -10.495 -29.210 51.541 1.00 0.00 C ATOM 50 CG1 VAL A -15 -9.496 -28.546 50.605 1.00 0.00 C ATOM 51 CG2 VAL A -15 -9.846 -29.544 52.876 1.00 0.00 C ATOM 0 H VAL A -15 -12.727 -29.896 52.688 1.00 0.00 H new ATOM 0 HA VAL A -15 -11.395 -27.349 52.140 1.00 0.00 H new ATOM 0 HB VAL A -15 -10.824 -30.141 51.078 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -8.633 -29.199 50.471 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -9.967 -28.365 49.639 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -9.171 -27.598 51.033 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -8.977 -30.180 52.709 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -9.533 -28.624 53.369 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -10.563 -30.068 53.508 1.00 0.00 H new ATOM 61 N LYS A -14 -13.472 -28.886 50.183 1.00 0.00 N ATOM 62 CA LYS A -14 -14.251 -28.766 48.961 1.00 0.00 C ATOM 63 C LYS A -14 -15.290 -27.668 49.131 1.00 0.00 C ATOM 64 O LYS A -14 -15.618 -26.952 48.184 1.00 0.00 O ATOM 65 CB LYS A -14 -14.930 -30.094 48.618 1.00 0.00 C ATOM 66 CG LYS A -14 -15.449 -30.160 47.191 1.00 0.00 C ATOM 67 CD LYS A -14 -14.484 -30.904 46.281 1.00 0.00 C ATOM 68 CE LYS A -14 -13.330 -30.015 45.847 1.00 0.00 C ATOM 69 NZ LYS A -14 -12.355 -30.747 44.992 1.00 0.00 N ATOM 0 H LYS A -14 -13.798 -29.610 50.823 1.00 0.00 H new ATOM 0 HA LYS A -14 -13.584 -28.508 48.139 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -14.221 -30.907 48.776 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -15.760 -30.257 49.306 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -16.419 -30.657 47.178 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -15.603 -29.150 46.812 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -14.095 -31.780 46.800 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -15.017 -31.265 45.402 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -13.719 -29.156 45.300 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -12.820 -29.627 46.728 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -11.584 -30.105 44.718 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -11.964 -31.552 45.522 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -12.835 -31.096 44.138 1.00 0.00 H new ATOM 83 N GLU A -13 -15.789 -27.532 50.356 1.00 0.00 N ATOM 84 CA GLU A -13 -16.773 -26.513 50.672 1.00 0.00 C ATOM 85 C GLU A -13 -16.087 -25.167 50.842 1.00 0.00 C ATOM 86 O GLU A -13 -16.618 -24.129 50.451 1.00 0.00 O ATOM 87 CB GLU A -13 -17.543 -26.882 51.941 1.00 0.00 C ATOM 88 CG GLU A -13 -18.881 -27.549 51.669 1.00 0.00 C ATOM 89 CD GLU A -13 -18.857 -29.039 51.945 1.00 0.00 C ATOM 90 OE1 GLU A -13 -18.225 -29.449 52.942 1.00 0.00 O ATOM 91 OE2 GLU A -13 -19.470 -29.799 51.165 1.00 0.00 O ATOM 0 H GLU A -13 -15.524 -28.120 51.146 1.00 0.00 H new ATOM 0 HA GLU A -13 -17.485 -26.447 49.849 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -16.930 -27.550 52.546 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -17.709 -25.980 52.530 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -19.648 -27.081 52.286 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -19.162 -27.380 50.629 1.00 0.00 H new ATOM 98 N LEU A -12 -14.895 -25.202 51.424 1.00 0.00 N ATOM 99 CA LEU A -12 -14.117 -23.991 51.643 1.00 0.00 C ATOM 100 C LEU A -12 -13.483 -23.514 50.340 1.00 0.00 C ATOM 101 O LEU A -12 -13.174 -22.332 50.185 1.00 0.00 O ATOM 102 CB LEU A -12 -13.035 -24.233 52.696 1.00 0.00 C ATOM 103 CG LEU A -12 -12.275 -22.983 53.143 1.00 0.00 C ATOM 104 CD1 LEU A -12 -11.934 -23.065 54.623 1.00 0.00 C ATOM 105 CD2 LEU A -12 -11.013 -22.800 52.313 1.00 0.00 C ATOM 0 H LEU A -12 -14.446 -26.057 51.753 1.00 0.00 H new ATOM 0 HA LEU A -12 -14.792 -23.215 52.005 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -13.497 -24.691 53.571 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -12.319 -24.953 52.300 1.00 0.00 H new ATOM 0 HG LEU A -12 -12.918 -22.117 52.987 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -11.394 -22.167 54.922 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -12.853 -23.146 55.204 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -11.311 -23.941 54.805 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -10.485 -21.906 52.645 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -10.367 -23.669 52.436 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -11.281 -22.694 51.262 1.00 0.00 H new ATOM 117 N ASN A -11 -13.292 -24.440 49.405 1.00 0.00 N ATOM 118 CA ASN A -11 -12.697 -24.114 48.117 1.00 0.00 C ATOM 119 C ASN A -11 -13.669 -23.317 47.252 1.00 0.00 C ATOM 120 O ASN A -11 -13.259 -22.564 46.369 1.00 0.00 O ATOM 121 CB ASN A -11 -12.272 -25.390 47.385 1.00 0.00 C ATOM 122 CG ASN A -11 -10.783 -25.654 47.502 1.00 0.00 C ATOM 123 OD1 ASN A -11 -10.362 -26.746 47.883 1.00 0.00 O ATOM 124 ND2 ASN A -11 -9.977 -24.651 47.171 1.00 0.00 N ATOM 0 H ASN A -11 -13.542 -25.423 49.517 1.00 0.00 H new ATOM 0 HA ASN A -11 -11.815 -23.500 48.301 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -12.822 -26.239 47.791 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -12.542 -25.309 46.332 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -8.966 -24.770 47.228 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -10.370 -23.762 46.860 1.00 0.00 H new ATOM 131 N VAL A -10 -14.959 -23.489 47.516 1.00 0.00 N ATOM 132 CA VAL A -10 -15.993 -22.788 46.765 1.00 0.00 C ATOM 133 C VAL A -10 -16.026 -21.308 47.130 1.00 0.00 C ATOM 134 O VAL A -10 -16.100 -20.444 46.256 1.00 0.00 O ATOM 135 CB VAL A -10 -17.384 -23.398 47.022 1.00 0.00 C ATOM 136 CG1 VAL A -10 -18.416 -22.789 46.086 1.00 0.00 C ATOM 137 CG2 VAL A -10 -17.340 -24.911 46.869 1.00 0.00 C ATOM 0 H VAL A -10 -15.314 -24.108 48.245 1.00 0.00 H new ATOM 0 HA VAL A -10 -15.746 -22.895 45.709 1.00 0.00 H new ATOM 0 HB VAL A -10 -17.678 -23.168 48.046 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -19.392 -23.232 46.283 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -18.467 -21.713 46.251 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -18.130 -22.985 45.052 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -18.331 -25.324 47.054 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -17.024 -25.165 45.857 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -16.633 -25.329 47.586 1.00 0.00 H new ATOM 147 N LYS A -9 -15.970 -21.023 48.426 1.00 0.00 N ATOM 148 CA LYS A -9 -15.993 -19.647 48.907 1.00 0.00 C ATOM 149 C LYS A -9 -14.796 -18.862 48.378 1.00 0.00 C ATOM 150 O LYS A -9 -14.867 -17.645 48.209 1.00 0.00 O ATOM 151 CB LYS A -9 -15.997 -19.620 50.437 1.00 0.00 C ATOM 152 CG LYS A -9 -17.392 -19.630 51.041 1.00 0.00 C ATOM 153 CD LYS A -9 -17.354 -19.961 52.524 1.00 0.00 C ATOM 154 CE LYS A -9 -18.681 -19.649 53.199 1.00 0.00 C ATOM 155 NZ LYS A -9 -18.492 -19.082 54.562 1.00 0.00 N ATOM 0 H LYS A -9 -15.908 -21.726 49.162 1.00 0.00 H new ATOM 0 HA LYS A -9 -16.904 -19.176 48.538 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -15.443 -20.482 50.809 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -15.469 -18.730 50.778 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -17.859 -18.656 50.896 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -18.010 -20.361 50.520 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -17.117 -21.017 52.656 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -16.558 -19.393 53.004 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -19.242 -18.943 52.587 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -19.278 -20.559 53.264 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -19.420 -18.883 54.987 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -17.979 -19.766 55.154 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -17.945 -18.200 54.498 1.00 0.00 H new ATOM 169 N GLU A -8 -13.697 -19.565 48.119 1.00 0.00 N ATOM 170 CA GLU A -8 -12.487 -18.930 47.610 1.00 0.00 C ATOM 171 C GLU A -8 -12.750 -18.247 46.276 1.00 0.00 C ATOM 172 O GLU A -8 -12.342 -17.107 46.054 1.00 0.00 O ATOM 173 CB GLU A -8 -11.367 -19.962 47.458 1.00 0.00 C ATOM 174 CG GLU A -8 -9.983 -19.345 47.345 1.00 0.00 C ATOM 175 CD GLU A -8 -8.916 -20.366 47.002 1.00 0.00 C ATOM 176 OE1 GLU A -8 -9.099 -21.107 46.014 1.00 0.00 O ATOM 177 OE2 GLU A -8 -7.898 -20.425 47.723 1.00 0.00 O ATOM 0 H GLU A -8 -13.620 -20.573 48.253 1.00 0.00 H new ATOM 0 HA GLU A -8 -12.176 -18.172 48.329 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -11.386 -20.636 48.315 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -11.559 -20.567 46.572 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -9.997 -18.568 46.580 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -9.727 -18.860 48.287 1.00 0.00 H new ATOM 184 N MET A -7 -13.436 -18.955 45.398 1.00 0.00 N ATOM 185 CA MET A -7 -13.765 -18.434 44.078 1.00 0.00 C ATOM 186 C MET A -7 -14.910 -17.428 44.161 1.00 0.00 C ATOM 187 O MET A -7 -15.015 -16.518 43.333 1.00 0.00 O ATOM 188 CB MET A -7 -14.137 -19.576 43.131 1.00 0.00 C ATOM 189 CG MET A -7 -15.402 -20.319 43.533 1.00 0.00 C ATOM 190 SD MET A -7 -16.384 -20.836 42.112 1.00 0.00 S ATOM 191 CE MET A -7 -17.611 -19.532 42.056 1.00 0.00 C ATOM 0 H MET A -7 -13.780 -19.899 45.574 1.00 0.00 H new ATOM 0 HA MET A -7 -12.885 -17.924 43.687 1.00 0.00 H new ATOM 0 HB2 MET A -7 -14.266 -19.175 42.126 1.00 0.00 H new ATOM 0 HB3 MET A -7 -13.309 -20.284 43.087 1.00 0.00 H new ATOM 0 HG2 MET A -7 -15.132 -21.196 44.122 1.00 0.00 H new ATOM 0 HG3 MET A -7 -16.007 -19.678 44.174 1.00 0.00 H new ATOM 0 HE1 MET A -7 -18.295 -19.711 41.226 1.00 0.00 H new ATOM 0 HE2 MET A -7 -18.171 -19.519 42.991 1.00 0.00 H new ATOM 0 HE3 MET A -7 -17.115 -18.571 41.917 1.00 0.00 H new ATOM 201 N LYS A -6 -15.768 -17.599 45.165 1.00 0.00 N ATOM 202 CA LYS A -6 -16.911 -16.713 45.362 1.00 0.00 C ATOM 203 C LYS A -6 -16.471 -15.256 45.435 1.00 0.00 C ATOM 204 O LYS A -6 -16.978 -14.412 44.696 1.00 0.00 O ATOM 205 CB LYS A -6 -17.667 -17.098 46.635 1.00 0.00 C ATOM 206 CG LYS A -6 -18.584 -18.299 46.457 1.00 0.00 C ATOM 207 CD LYS A -6 -19.995 -18.002 46.940 1.00 0.00 C ATOM 208 CE LYS A -6 -20.877 -17.501 45.808 1.00 0.00 C ATOM 209 NZ LYS A -6 -22.309 -17.847 46.024 1.00 0.00 N ATOM 0 H LYS A -6 -15.692 -18.346 45.856 1.00 0.00 H new ATOM 0 HA LYS A -6 -17.575 -16.825 44.505 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -16.947 -17.315 47.424 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -18.259 -16.245 46.969 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -18.611 -18.584 45.405 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -18.182 -19.149 47.007 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -20.431 -18.904 47.370 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -19.960 -17.255 47.733 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -20.774 -16.419 45.719 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -20.538 -17.932 44.866 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -22.877 -17.488 45.230 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -22.411 -18.880 46.083 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -22.641 -17.415 46.910 1.00 0.00 H new ATOM 223 N GLN A -5 -15.527 -14.958 46.325 1.00 0.00 N ATOM 224 CA GLN A -5 -15.040 -13.594 46.467 1.00 0.00 C ATOM 225 C GLN A -5 -13.933 -13.292 45.460 1.00 0.00 C ATOM 226 O GLN A -5 -13.209 -12.306 45.592 1.00 0.00 O ATOM 227 CB GLN A -5 -14.498 -13.391 47.871 1.00 0.00 C ATOM 228 CG GLN A -5 -15.570 -13.382 48.948 1.00 0.00 C ATOM 229 CD GLN A -5 -16.502 -12.191 48.834 1.00 0.00 C ATOM 230 OE1 GLN A -5 -16.237 -11.125 49.389 1.00 0.00 O ATOM 231 NE2 GLN A -5 -17.603 -12.368 48.112 1.00 0.00 N ATOM 0 H GLN A -5 -15.090 -15.635 46.950 1.00 0.00 H new ATOM 0 HA GLN A -5 -15.874 -12.918 46.280 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -13.782 -14.182 48.092 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -13.953 -12.448 47.907 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -16.152 -14.301 48.884 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -15.094 -13.374 49.929 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -17.783 -13.269 47.669 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -18.268 -11.603 48.001 1.00 0.00 H new ATOM 240 N LEU A -4 -13.832 -14.132 44.442 1.00 0.00 N ATOM 241 CA LEU A -4 -12.847 -13.952 43.386 1.00 0.00 C ATOM 242 C LEU A -4 -13.437 -13.115 42.267 1.00 0.00 C ATOM 243 O LEU A -4 -13.029 -11.979 42.030 1.00 0.00 O ATOM 244 CB LEU A -4 -12.381 -15.307 42.847 1.00 0.00 C ATOM 245 CG LEU A -4 -10.881 -15.411 42.563 1.00 0.00 C ATOM 246 CD1 LEU A -4 -10.422 -14.264 41.675 1.00 0.00 C ATOM 247 CD2 LEU A -4 -10.094 -15.428 43.865 1.00 0.00 C ATOM 0 H LEU A -4 -14.426 -14.953 44.324 1.00 0.00 H new ATOM 0 HA LEU A -4 -11.982 -13.433 43.800 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -12.653 -16.080 43.566 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -12.925 -15.521 41.927 1.00 0.00 H new ATOM 0 HG LEU A -4 -10.695 -16.346 42.035 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -9.353 -14.356 41.485 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -10.963 -14.297 40.729 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -10.621 -13.316 42.174 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -9.029 -15.502 43.645 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -10.287 -14.509 44.419 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -10.401 -16.285 44.465 1.00 0.00 H new ATOM 259 N HIS A -3 -14.414 -13.703 41.592 1.00 0.00 N ATOM 260 CA HIS A -3 -15.109 -13.049 40.487 1.00 0.00 C ATOM 261 C HIS A -3 -14.123 -12.384 39.532 1.00 0.00 C ATOM 262 O HIS A -3 -14.418 -11.348 38.936 1.00 0.00 O ATOM 263 CB HIS A -3 -16.108 -12.024 41.028 1.00 0.00 C ATOM 264 CG HIS A -3 -15.465 -10.839 41.681 1.00 0.00 C ATOM 265 ND1 HIS A -3 -14.891 -9.805 40.970 1.00 0.00 N ATOM 266 CD2 HIS A -3 -15.307 -10.525 42.990 1.00 0.00 C ATOM 267 CE1 HIS A -3 -14.409 -8.908 41.812 1.00 0.00 C ATOM 268 NE2 HIS A -3 -14.648 -9.321 43.042 1.00 0.00 N ATOM 0 H HIS A -3 -14.749 -14.645 41.793 1.00 0.00 H new ATOM 0 HA HIS A -3 -15.652 -13.810 39.927 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -16.739 -11.678 40.209 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -16.762 -12.514 41.749 1.00 0.00 H new ATOM 0 HD1 HIS A -3 -14.846 -9.743 39.953 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -15.637 -11.112 43.834 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -13.905 -7.992 41.540 1.00 0.00 H new ATOM 277 N GLY A -2 -12.952 -12.993 39.394 1.00 0.00 N ATOM 278 CA GLY A -2 -11.934 -12.452 38.510 1.00 0.00 C ATOM 279 C GLY A -2 -11.911 -13.143 37.160 1.00 0.00 C ATOM 280 O GLY A -2 -11.242 -14.162 36.989 1.00 0.00 O ATOM 0 H GLY A -2 -12.688 -13.851 39.877 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.111 -11.386 38.366 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.957 -12.552 38.982 1.00 0.00 H new ATOM 284 N GLY A -1 -12.643 -12.585 36.201 1.00 0.00 N ATOM 285 CA GLY A -1 -12.689 -13.166 34.872 1.00 0.00 C ATOM 286 C GLY A -1 -11.522 -12.734 34.007 1.00 0.00 C ATOM 287 O GLY A -1 -11.538 -11.648 33.427 1.00 0.00 O ATOM 0 H GLY A -1 -13.204 -11.742 36.320 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -12.693 -14.253 34.954 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -13.622 -12.880 34.386 1.00 0.00 H new ATOM 291 N VAL A 1 -10.504 -13.585 33.922 1.00 0.00 N ATOM 292 CA VAL A 1 -9.322 -13.286 33.122 1.00 0.00 C ATOM 293 C VAL A 1 -8.632 -14.566 32.662 1.00 0.00 C ATOM 294 O VAL A 1 -7.820 -15.139 33.388 1.00 0.00 O ATOM 295 CB VAL A 1 -8.314 -12.427 33.909 1.00 0.00 C ATOM 296 CG1 VAL A 1 -8.840 -11.010 34.084 1.00 0.00 C ATOM 297 CG2 VAL A 1 -8.012 -13.062 35.258 1.00 0.00 C ATOM 0 H VAL A 1 -10.474 -14.487 34.397 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.662 -12.726 32.251 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.386 -12.376 33.340 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -8.114 -10.419 34.642 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.000 -10.558 33.105 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -9.783 -11.037 34.630 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.298 -12.442 35.800 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.933 -13.145 35.835 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -7.588 -14.055 35.106 1.00 0.00 H new ATOM 307 N ASN A 2 -8.961 -15.009 31.453 1.00 0.00 N ATOM 308 CA ASN A 2 -8.372 -16.222 30.897 1.00 0.00 C ATOM 309 C ASN A 2 -7.939 -16.005 29.450 1.00 0.00 C ATOM 310 O ASN A 2 -8.592 -16.477 28.518 1.00 0.00 O ATOM 311 CB ASN A 2 -9.368 -17.379 30.976 1.00 0.00 C ATOM 312 CG ASN A 2 -8.734 -18.714 30.633 1.00 0.00 C ATOM 313 OD1 ASN A 2 -8.444 -19.521 31.515 1.00 0.00 O ATOM 314 ND2 ASN A 2 -8.515 -18.950 29.345 1.00 0.00 N ATOM 0 H ASN A 2 -9.632 -14.546 30.840 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.489 -16.470 31.487 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.786 -17.426 31.981 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.197 -17.188 30.295 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.090 -19.830 29.053 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.772 -18.251 28.648 1.00 0.00 H new ATOM 321 N TYR A 3 -6.834 -15.290 29.269 1.00 0.00 N ATOM 322 CA TYR A 3 -6.314 -15.013 27.935 1.00 0.00 C ATOM 323 C TYR A 3 -7.331 -14.235 27.105 1.00 0.00 C ATOM 324 O TYR A 3 -8.022 -14.802 26.258 1.00 0.00 O ATOM 325 CB TYR A 3 -5.947 -16.320 27.228 1.00 0.00 C ATOM 326 CG TYR A 3 -4.632 -16.259 26.482 1.00 0.00 C ATOM 327 CD1 TYR A 3 -4.395 -15.272 25.534 1.00 0.00 C ATOM 328 CD2 TYR A 3 -3.630 -17.189 26.727 1.00 0.00 C ATOM 329 CE1 TYR A 3 -3.194 -15.212 24.851 1.00 0.00 C ATOM 330 CE2 TYR A 3 -2.427 -17.136 26.049 1.00 0.00 C ATOM 331 CZ TYR A 3 -2.214 -16.146 25.112 1.00 0.00 C ATOM 332 OH TYR A 3 -1.018 -16.092 24.435 1.00 0.00 O ATOM 0 H TYR A 3 -6.282 -14.892 30.028 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.418 -14.402 28.039 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.899 -17.121 27.966 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.741 -16.579 26.527 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.161 -14.539 25.327 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.794 -17.966 27.459 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.025 -14.438 24.117 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.657 -17.866 26.252 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.437 -16.821 24.738 1.00 0.00 H new ATOM 342 N GLY A 4 -7.419 -12.932 27.354 1.00 0.00 N ATOM 343 CA GLY A 4 -8.354 -12.098 26.623 1.00 0.00 C ATOM 344 C GLY A 4 -8.303 -10.647 27.061 1.00 0.00 C ATOM 345 O GLY A 4 -9.337 -9.985 27.163 1.00 0.00 O ATOM 0 H GLY A 4 -6.859 -12.439 28.050 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.135 -12.160 25.557 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.365 -12.481 26.764 1.00 0.00 H new ATOM 349 N ASN A 5 -7.098 -10.151 27.321 1.00 0.00 N ATOM 350 CA ASN A 5 -6.916 -8.769 27.751 1.00 0.00 C ATOM 351 C ASN A 5 -7.182 -7.795 26.606 1.00 0.00 C ATOM 352 O ASN A 5 -7.444 -6.613 26.833 1.00 0.00 O ATOM 353 CB ASN A 5 -5.499 -8.565 28.292 1.00 0.00 C ATOM 354 CG ASN A 5 -5.440 -8.650 29.805 1.00 0.00 C ATOM 355 OD1 ASN A 5 -6.129 -9.464 30.420 1.00 0.00 O ATOM 356 ND2 ASN A 5 -4.613 -7.807 30.413 1.00 0.00 N ATOM 0 H ASN A 5 -6.233 -10.685 27.242 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.636 -8.567 28.544 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.837 -9.317 27.862 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.127 -7.592 27.971 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.530 -7.818 31.430 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.061 -7.149 29.863 1.00 0.00 H new ATOM 363 N GLY A 6 -7.113 -8.296 25.377 1.00 0.00 N ATOM 364 CA GLY A 6 -7.350 -7.455 24.219 1.00 0.00 C ATOM 365 C GLY A 6 -6.124 -6.654 23.823 1.00 0.00 C ATOM 366 O GLY A 6 -6.008 -5.477 24.162 1.00 0.00 O ATOM 0 H GLY A 6 -6.897 -9.270 25.163 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.661 -8.077 23.380 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.173 -6.773 24.432 1.00 0.00 H new ATOM 370 N VAL A 7 -5.208 -7.295 23.104 1.00 0.00 N ATOM 371 CA VAL A 7 -3.985 -6.636 22.663 1.00 0.00 C ATOM 372 C VAL A 7 -4.301 -5.423 21.787 1.00 0.00 C ATOM 373 O VAL A 7 -5.420 -4.910 21.799 1.00 0.00 O ATOM 374 CB VAL A 7 -3.061 -7.623 21.905 1.00 0.00 C ATOM 375 CG1 VAL A 7 -3.401 -7.687 20.420 1.00 0.00 C ATOM 376 CG2 VAL A 7 -1.595 -7.261 22.113 1.00 0.00 C ATOM 0 H VAL A 7 -5.290 -8.270 22.815 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.458 -6.290 23.552 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.231 -8.616 22.321 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.732 -8.389 19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.432 -8.019 20.297 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.283 -6.698 19.977 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.965 -7.967 21.572 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.413 -6.253 21.740 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.357 -7.303 23.176 1.00 0.00 H new ATOM 386 N SER A 8 -3.309 -4.973 21.030 1.00 0.00 N ATOM 387 CA SER A 8 -3.476 -3.825 20.147 1.00 0.00 C ATOM 388 C SER A 8 -4.431 -4.154 19.002 1.00 0.00 C ATOM 389 O SER A 8 -5.151 -5.152 19.050 1.00 0.00 O ATOM 390 CB SER A 8 -2.121 -3.385 19.588 1.00 0.00 C ATOM 391 OG SER A 8 -1.116 -3.439 20.585 1.00 0.00 O ATOM 0 H SER A 8 -2.377 -5.387 21.010 1.00 0.00 H new ATOM 0 HA SER A 8 -3.904 -3.008 20.729 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.843 -4.027 18.752 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.197 -2.370 19.199 1.00 0.00 H new ATOM 0 HG SER A 8 -0.260 -3.155 20.202 1.00 0.00 H new ATOM 397 N CYS A 9 -4.429 -3.312 17.972 1.00 0.00 N ATOM 398 CA CYS A 9 -5.290 -3.514 16.813 1.00 0.00 C ATOM 399 C CYS A 9 -6.743 -3.741 17.240 1.00 0.00 C ATOM 400 O CYS A 9 -7.164 -3.269 18.296 1.00 0.00 O ATOM 401 CB CYS A 9 -4.776 -4.697 15.988 1.00 0.00 C ATOM 402 SG CYS A 9 -4.891 -4.449 14.186 1.00 0.00 S ATOM 0 H CYS A 9 -3.839 -2.482 17.918 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.264 -2.615 16.198 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.736 -4.887 16.253 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.342 -5.589 16.259 1.00 0.00 H new ATOM 407 N SER A 10 -7.508 -4.459 16.415 1.00 0.00 N ATOM 408 CA SER A 10 -8.916 -4.743 16.707 1.00 0.00 C ATOM 409 C SER A 10 -9.790 -3.520 16.455 1.00 0.00 C ATOM 410 O SER A 10 -10.918 -3.432 16.943 1.00 0.00 O ATOM 411 CB SER A 10 -9.071 -5.173 18.158 1.00 0.00 C ATOM 412 OG SER A 10 -10.125 -6.108 18.310 1.00 0.00 O ATOM 0 H SER A 10 -7.175 -4.856 15.536 1.00 0.00 H new ATOM 0 HA SER A 10 -9.237 -5.546 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.138 -5.613 18.510 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.265 -4.299 18.779 1.00 0.00 H new ATOM 0 HG SER A 10 -10.199 -6.367 19.252 1.00 0.00 H new ATOM 418 N LYS A 11 -9.261 -2.589 15.687 1.00 0.00 N ATOM 419 CA LYS A 11 -9.975 -1.362 15.344 1.00 0.00 C ATOM 420 C LYS A 11 -9.544 -0.855 13.975 1.00 0.00 C ATOM 421 O LYS A 11 -10.361 -0.400 13.176 1.00 0.00 O ATOM 422 CB LYS A 11 -9.724 -0.285 16.402 1.00 0.00 C ATOM 423 CG LYS A 11 -10.447 -0.539 17.716 1.00 0.00 C ATOM 424 CD LYS A 11 -9.487 -0.992 18.804 1.00 0.00 C ATOM 425 CE LYS A 11 -10.204 -1.201 20.128 1.00 0.00 C ATOM 426 NZ LYS A 11 -10.772 0.068 20.660 1.00 0.00 N ATOM 0 H LYS A 11 -8.328 -2.655 15.281 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.041 -1.586 15.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.653 -0.219 16.594 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.037 0.681 16.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.955 0.371 18.034 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.215 -1.298 17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.003 -1.920 18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.700 -0.248 18.929 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.004 -1.929 19.996 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.508 -1.620 20.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.039 -0.062 21.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.061 0.824 20.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.613 0.330 20.107 1.00 0.00 H new ATOM 440 N THR A 12 -8.251 -0.950 13.720 1.00 0.00 N ATOM 441 CA THR A 12 -7.672 -0.520 12.459 1.00 0.00 C ATOM 442 C THR A 12 -6.424 -1.346 12.149 1.00 0.00 C ATOM 443 O THR A 12 -6.296 -2.476 12.616 1.00 0.00 O ATOM 444 CB THR A 12 -7.340 0.964 12.511 1.00 0.00 C ATOM 445 OG1 THR A 12 -6.834 1.416 11.267 1.00 0.00 O ATOM 446 CG2 THR A 12 -6.325 1.269 13.564 1.00 0.00 C ATOM 0 H THR A 12 -7.572 -1.328 14.381 1.00 0.00 H new ATOM 0 HA THR A 12 -8.398 -0.678 11.661 1.00 0.00 H new ATOM 0 HB THR A 12 -8.271 1.479 12.747 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.987 1.887 11.410 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.116 2.339 13.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.711 0.971 14.539 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.407 0.720 13.354 1.00 0.00 H new ATOM 454 N LYS A 13 -5.502 -0.788 11.369 1.00 0.00 N ATOM 455 CA LYS A 13 -4.274 -1.497 11.026 1.00 0.00 C ATOM 456 C LYS A 13 -3.523 -1.913 12.289 1.00 0.00 C ATOM 457 O LYS A 13 -3.594 -1.234 13.313 1.00 0.00 O ATOM 458 CB LYS A 13 -3.379 -0.619 10.150 1.00 0.00 C ATOM 459 CG LYS A 13 -3.871 -0.488 8.718 1.00 0.00 C ATOM 460 CD LYS A 13 -5.046 0.472 8.618 1.00 0.00 C ATOM 461 CE LYS A 13 -5.334 0.851 7.174 1.00 0.00 C ATOM 462 NZ LYS A 13 -4.502 2.001 6.726 1.00 0.00 N ATOM 0 H LYS A 13 -5.581 0.145 10.966 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.542 -2.394 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.311 0.374 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.371 -1.035 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.058 -0.136 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.167 -1.468 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.931 0.013 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.833 1.371 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.145 -0.007 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.389 1.103 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.728 2.228 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.701 2.827 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.495 1.752 6.803 1.00 0.00 H new ATOM 476 N CYS A 14 -2.808 -3.031 12.214 1.00 0.00 N ATOM 477 CA CYS A 14 -2.050 -3.528 13.360 1.00 0.00 C ATOM 478 C CYS A 14 -0.624 -2.979 13.361 1.00 0.00 C ATOM 479 O CYS A 14 0.267 -3.549 13.992 1.00 0.00 O ATOM 480 CB CYS A 14 -2.015 -5.060 13.355 1.00 0.00 C ATOM 481 SG CYS A 14 -3.654 -5.861 13.411 1.00 0.00 S ATOM 0 H CYS A 14 -2.737 -3.609 11.376 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.552 -3.183 14.264 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.493 -5.395 12.459 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.431 -5.399 14.210 1.00 0.00 H new ATOM 486 N SER A 15 -0.410 -1.871 12.655 1.00 0.00 N ATOM 487 CA SER A 15 0.909 -1.254 12.583 1.00 0.00 C ATOM 488 C SER A 15 0.803 0.193 12.111 1.00 0.00 C ATOM 489 O SER A 15 1.157 0.515 10.976 1.00 0.00 O ATOM 490 CB SER A 15 1.816 -2.048 11.640 1.00 0.00 C ATOM 491 OG SER A 15 1.078 -2.587 10.556 1.00 0.00 O ATOM 0 H SER A 15 -1.133 -1.384 12.126 1.00 0.00 H new ATOM 0 HA SER A 15 1.344 -1.261 13.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.606 -1.401 11.260 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.301 -2.854 12.190 1.00 0.00 H new ATOM 0 HG SER A 15 1.680 -3.088 9.967 1.00 0.00 H new ATOM 497 N VAL A 16 0.313 1.061 12.989 1.00 0.00 N ATOM 498 CA VAL A 16 0.158 2.473 12.662 1.00 0.00 C ATOM 499 C VAL A 16 1.271 3.310 13.285 1.00 0.00 C ATOM 500 O VAL A 16 1.572 3.177 14.471 1.00 0.00 O ATOM 501 CB VAL A 16 -1.202 3.014 13.138 1.00 0.00 C ATOM 502 CG1 VAL A 16 -1.430 4.423 12.611 1.00 0.00 C ATOM 503 CG2 VAL A 16 -2.326 2.086 12.704 1.00 0.00 C ATOM 0 H VAL A 16 0.016 0.811 13.932 1.00 0.00 H new ATOM 0 HA VAL A 16 0.213 2.552 11.576 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.196 3.055 14.227 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.396 4.789 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.641 5.080 12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.416 4.410 11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.280 2.484 13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.336 2.011 11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.168 1.097 13.135 1.00 0.00 H new ATOM 513 N ASN A 17 1.876 4.173 12.476 1.00 0.00 N ATOM 514 CA ASN A 17 2.956 5.035 12.942 1.00 0.00 C ATOM 515 C ASN A 17 3.407 5.980 11.832 1.00 0.00 C ATOM 516 O ASN A 17 4.222 5.614 10.985 1.00 0.00 O ATOM 517 CB ASN A 17 4.139 4.194 13.426 1.00 0.00 C ATOM 518 CG ASN A 17 4.134 4.003 14.930 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.882 2.906 15.428 1.00 0.00 O ATOM 520 ND2 ASN A 17 4.416 5.074 15.663 1.00 0.00 N ATOM 0 H ASN A 17 1.636 4.294 11.492 1.00 0.00 H new ATOM 0 HA ASN A 17 2.582 5.630 13.775 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.112 3.219 12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.070 4.675 13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.430 5.006 16.681 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.619 5.964 15.208 1.00 0.00 H new ATOM 527 N TRP A 18 2.867 7.193 11.839 1.00 0.00 N ATOM 528 CA TRP A 18 3.207 8.190 10.830 1.00 0.00 C ATOM 529 C TRP A 18 4.695 8.535 10.863 1.00 0.00 C ATOM 530 O TRP A 18 5.233 9.078 9.900 1.00 0.00 O ATOM 531 CB TRP A 18 2.373 9.456 11.033 1.00 0.00 C ATOM 532 CG TRP A 18 0.947 9.302 10.602 1.00 0.00 C ATOM 533 CD1 TRP A 18 0.442 9.510 9.351 1.00 0.00 C ATOM 534 CD2 TRP A 18 -0.159 8.904 11.420 1.00 0.00 C ATOM 535 NE1 TRP A 18 -0.910 9.268 9.341 1.00 0.00 N ATOM 536 CE2 TRP A 18 -1.303 8.895 10.600 1.00 0.00 C ATOM 537 CE3 TRP A 18 -0.294 8.556 12.768 1.00 0.00 C ATOM 538 CZ2 TRP A 18 -2.563 8.550 11.083 1.00 0.00 C ATOM 539 CZ3 TRP A 18 -1.544 8.214 13.246 1.00 0.00 C ATOM 540 CH2 TRP A 18 -2.664 8.212 12.405 1.00 0.00 C ATOM 0 H TRP A 18 2.191 7.511 12.533 1.00 0.00 H new ATOM 0 HA TRP A 18 2.981 7.763 9.853 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.399 9.735 12.087 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.827 10.275 10.476 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.021 9.820 8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.522 9.352 8.529 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.564 8.555 13.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.429 8.549 10.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.660 7.944 14.285 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.628 7.938 12.808 1.00 0.00 H new ATOM 551 N GLY A 19 5.355 8.216 11.973 1.00 0.00 N ATOM 552 CA GLY A 19 6.773 8.499 12.098 1.00 0.00 C ATOM 553 C GLY A 19 7.615 7.240 12.044 1.00 0.00 C ATOM 554 O GLY A 19 8.552 7.138 11.247 1.00 0.00 O ATOM 0 H GLY A 19 4.934 7.767 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.079 9.173 11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.957 9.017 13.039 1.00 0.00 H new ATOM 558 N GLN A 20 7.276 6.271 12.887 1.00 0.00 N ATOM 559 CA GLN A 20 8.004 5.011 12.924 1.00 0.00 C ATOM 560 C GLN A 20 8.043 4.380 11.540 1.00 0.00 C ATOM 561 O GLN A 20 9.113 4.228 10.954 1.00 0.00 O ATOM 562 CB GLN A 20 7.365 4.051 13.929 1.00 0.00 C ATOM 563 CG GLN A 20 8.367 3.403 14.871 1.00 0.00 C ATOM 564 CD GLN A 20 8.842 2.052 14.378 1.00 0.00 C ATOM 565 OE1 GLN A 20 10.031 1.853 14.126 1.00 0.00 O ATOM 566 NE2 GLN A 20 7.913 1.112 14.237 1.00 0.00 N ATOM 0 H GLN A 20 6.504 6.335 13.551 1.00 0.00 H new ATOM 0 HA GLN A 20 9.027 5.214 13.243 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.624 4.593 14.517 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.832 3.271 13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.226 4.064 14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.912 3.287 15.855 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.939 1.320 14.457 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.174 0.182 13.908 1.00 0.00 H new ATOM 575 N ALA A 21 6.875 4.018 11.010 1.00 0.00 N ATOM 576 CA ALA A 21 6.824 3.417 9.686 1.00 0.00 C ATOM 577 C ALA A 21 7.270 4.379 8.606 1.00 0.00 C ATOM 578 O ALA A 21 7.451 4.001 7.449 1.00 0.00 O ATOM 579 CB ALA A 21 5.465 2.828 9.374 1.00 0.00 C ATOM 0 H ALA A 21 5.971 4.129 11.469 1.00 0.00 H new ATOM 0 HA ALA A 21 7.535 2.591 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.478 2.392 8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.227 2.055 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.710 3.613 9.417 1.00 0.00 H new ATOM 585 N PHE A 22 7.494 5.605 9.007 1.00 0.00 N ATOM 586 CA PHE A 22 7.984 6.626 8.099 1.00 0.00 C ATOM 587 C PHE A 22 9.401 6.246 7.722 1.00 0.00 C ATOM 588 O PHE A 22 9.808 6.334 6.565 1.00 0.00 O ATOM 589 CB PHE A 22 7.954 8.009 8.752 1.00 0.00 C ATOM 590 CG PHE A 22 7.812 9.136 7.767 1.00 0.00 C ATOM 591 CD1 PHE A 22 6.882 9.064 6.741 1.00 0.00 C ATOM 592 CD2 PHE A 22 8.608 10.265 7.867 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.750 10.097 5.834 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.481 11.303 6.962 1.00 0.00 C ATOM 595 CZ PHE A 22 7.551 11.218 5.944 1.00 0.00 C ATOM 0 H PHE A 22 7.345 5.928 9.963 1.00 0.00 H new ATOM 0 HA PHE A 22 7.348 6.681 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.126 8.050 9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.870 8.151 9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.254 8.190 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.337 10.336 8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.022 10.029 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.108 12.178 7.051 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.450 12.026 5.235 1.00 0.00 H new ATOM 605 N GLN A 23 10.123 5.768 8.730 1.00 0.00 N ATOM 606 CA GLN A 23 11.483 5.299 8.550 1.00 0.00 C ATOM 607 C GLN A 23 11.455 3.907 7.917 1.00 0.00 C ATOM 608 O GLN A 23 12.410 3.487 7.264 1.00 0.00 O ATOM 609 CB GLN A 23 12.203 5.253 9.902 1.00 0.00 C ATOM 610 CG GLN A 23 13.164 6.410 10.119 1.00 0.00 C ATOM 611 CD GLN A 23 14.334 6.385 9.155 1.00 0.00 C ATOM 612 OE1 GLN A 23 14.763 5.321 8.707 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.859 7.562 8.830 1.00 0.00 N ATOM 0 H GLN A 23 9.780 5.697 9.688 1.00 0.00 H new ATOM 0 HA GLN A 23 12.022 5.982 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.460 5.254 10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.753 4.315 9.980 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.625 7.351 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.540 6.378 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.472 8.419 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.649 7.608 8.186 1.00 0.00 H new ATOM 622 N GLU A 24 10.337 3.200 8.118 1.00 0.00 N ATOM 623 CA GLU A 24 10.156 1.862 7.577 1.00 0.00 C ATOM 624 C GLU A 24 9.840 1.908 6.086 1.00 0.00 C ATOM 625 O GLU A 24 10.329 1.084 5.312 1.00 0.00 O ATOM 626 CB GLU A 24 9.035 1.131 8.319 1.00 0.00 C ATOM 627 CG GLU A 24 9.304 0.956 9.805 1.00 0.00 C ATOM 628 CD GLU A 24 10.323 -0.129 10.088 1.00 0.00 C ATOM 629 OE1 GLU A 24 11.274 -0.274 9.292 1.00 0.00 O ATOM 630 OE2 GLU A 24 10.171 -0.835 11.108 1.00 0.00 O ATOM 0 H GLU A 24 9.542 3.542 8.657 1.00 0.00 H new ATOM 0 HA GLU A 24 11.091 1.320 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.104 1.683 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.890 0.150 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.658 1.900 10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.371 0.715 10.314 1.00 0.00 H new ATOM 637 N ARG A 25 9.015 2.872 5.690 1.00 0.00 N ATOM 638 CA ARG A 25 8.625 3.024 4.291 1.00 0.00 C ATOM 639 C ARG A 25 9.847 3.119 3.386 1.00 0.00 C ATOM 640 O ARG A 25 9.809 2.704 2.227 1.00 0.00 O ATOM 641 CB ARG A 25 7.744 4.262 4.115 1.00 0.00 C ATOM 642 CG ARG A 25 6.294 4.035 4.510 1.00 0.00 C ATOM 643 CD ARG A 25 5.337 4.559 3.450 1.00 0.00 C ATOM 644 NE ARG A 25 5.298 3.694 2.273 1.00 0.00 N ATOM 645 CZ ARG A 25 4.338 3.736 1.352 1.00 0.00 C ATOM 646 NH1 ARG A 25 3.336 4.599 1.468 1.00 0.00 N ATOM 647 NH2 ARG A 25 4.379 2.916 0.312 1.00 0.00 N ATOM 0 H ARG A 25 8.603 3.561 6.319 1.00 0.00 H new ATOM 0 HA ARG A 25 8.057 2.139 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.152 5.077 4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.783 4.581 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.120 2.970 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.093 4.531 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.336 4.640 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.640 5.563 3.152 1.00 0.00 H new ATOM 0 HE ARG A 25 6.051 3.018 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.299 5.234 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.603 4.627 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.147 2.251 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.643 2.949 -0.393 1.00 0.00 H new ATOM 661 N TYR A 26 10.928 3.662 3.924 1.00 0.00 N ATOM 662 CA TYR A 26 12.165 3.807 3.170 1.00 0.00 C ATOM 663 C TYR A 26 12.774 2.441 2.876 1.00 0.00 C ATOM 664 O TYR A 26 13.112 2.132 1.733 1.00 0.00 O ATOM 665 CB TYR A 26 13.163 4.674 3.941 1.00 0.00 C ATOM 666 CG TYR A 26 13.131 6.133 3.543 1.00 0.00 C ATOM 667 CD1 TYR A 26 12.058 6.944 3.890 1.00 0.00 C ATOM 668 CD2 TYR A 26 14.174 6.698 2.821 1.00 0.00 C ATOM 669 CE1 TYR A 26 12.025 8.277 3.528 1.00 0.00 C ATOM 670 CE2 TYR A 26 14.149 8.031 2.455 1.00 0.00 C ATOM 671 CZ TYR A 26 13.073 8.816 2.811 1.00 0.00 C ATOM 672 OH TYR A 26 13.044 10.144 2.449 1.00 0.00 O ATOM 0 H TYR A 26 10.974 4.010 4.882 1.00 0.00 H new ATOM 0 HA TYR A 26 11.934 4.297 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.954 4.592 5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.169 4.285 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.236 6.526 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.019 6.086 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.183 8.894 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.968 8.455 1.893 1.00 0.00 H new ATOM 0 HH TYR A 26 13.858 10.365 1.950 1.00 0.00 H new ATOM 682 N THR A 27 12.903 1.625 3.916 1.00 0.00 N ATOM 683 CA THR A 27 13.463 0.287 3.774 1.00 0.00 C ATOM 684 C THR A 27 12.486 -0.628 3.044 1.00 0.00 C ATOM 685 O THR A 27 12.893 -1.518 2.297 1.00 0.00 O ATOM 686 CB THR A 27 13.800 -0.297 5.147 1.00 0.00 C ATOM 687 OG1 THR A 27 14.509 0.645 5.932 1.00 0.00 O ATOM 688 CG2 THR A 27 14.636 -1.555 5.074 1.00 0.00 C ATOM 0 H THR A 27 12.627 1.867 4.868 1.00 0.00 H new ATOM 0 HA THR A 27 14.378 0.360 3.187 1.00 0.00 H new ATOM 0 HB THR A 27 12.839 -0.545 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.714 0.254 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.839 -1.916 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.095 -2.320 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.578 -1.337 4.570 1.00 0.00 H new ATOM 696 N ALA A 28 11.195 -0.399 3.263 1.00 0.00 N ATOM 697 CA ALA A 28 10.159 -1.200 2.625 1.00 0.00 C ATOM 698 C ALA A 28 10.186 -1.019 1.112 1.00 0.00 C ATOM 699 O ALA A 28 9.916 -1.954 0.358 1.00 0.00 O ATOM 700 CB ALA A 28 8.790 -0.829 3.178 1.00 0.00 C ATOM 0 H ALA A 28 10.842 0.335 3.878 1.00 0.00 H new ATOM 0 HA ALA A 28 10.355 -2.249 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.025 -1.435 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.770 -1.012 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.593 0.226 2.985 1.00 0.00 H new ATOM 706 N GLY A 29 10.517 0.192 0.674 1.00 0.00 N ATOM 707 CA GLY A 29 10.577 0.476 -0.747 1.00 0.00 C ATOM 708 C GLY A 29 11.750 -0.206 -1.422 1.00 0.00 C ATOM 709 O GLY A 29 11.588 -0.860 -2.452 1.00 0.00 O ATOM 0 H GLY A 29 10.745 0.981 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.650 0.151 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.651 1.553 -0.897 1.00 0.00 H new ATOM 713 N ILE A 30 12.936 -0.053 -0.840 1.00 0.00 N ATOM 714 CA ILE A 30 14.140 -0.661 -1.393 1.00 0.00 C ATOM 715 C ILE A 30 14.020 -2.181 -1.423 1.00 0.00 C ATOM 716 O ILE A 30 14.516 -2.835 -2.339 1.00 0.00 O ATOM 717 CB ILE A 30 15.391 -0.265 -0.587 1.00 0.00 C ATOM 718 CG1 ILE A 30 15.465 1.257 -0.441 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.649 -0.803 -1.258 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.743 1.744 0.205 1.00 0.00 C ATOM 0 H ILE A 30 13.088 0.486 0.013 1.00 0.00 H new ATOM 0 HA ILE A 30 14.246 -0.289 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 30 15.321 -0.705 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 15.370 1.713 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.616 1.598 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.524 -0.514 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.594 -1.890 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.730 -0.390 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 30 16.724 2.832 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.831 1.318 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.596 1.434 -0.398 1.00 0.00 H new ATOM 732 N ASN A 31 13.352 -2.737 -0.416 1.00 0.00 N ATOM 733 CA ASN A 31 13.161 -4.182 -0.330 1.00 0.00 C ATOM 734 C ASN A 31 12.485 -4.709 -1.590 1.00 0.00 C ATOM 735 O ASN A 31 13.052 -5.527 -2.314 1.00 0.00 O ATOM 736 CB ASN A 31 12.323 -4.536 0.901 1.00 0.00 C ATOM 737 CG ASN A 31 12.447 -5.999 1.282 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.966 -6.810 0.518 1.00 0.00 O ATOM 739 ND2 ASN A 31 11.967 -6.342 2.473 1.00 0.00 N ATOM 0 H ASN A 31 12.934 -2.210 0.351 1.00 0.00 H new ATOM 0 HA ASN A 31 14.140 -4.652 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.636 -3.916 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.277 -4.302 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.021 -7.312 2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.544 -5.636 3.075 1.00 0.00 H new ATOM 746 N SER A 32 11.276 -4.224 -1.855 1.00 0.00 N ATOM 747 CA SER A 32 10.532 -4.638 -3.038 1.00 0.00 C ATOM 748 C SER A 32 11.309 -4.282 -4.298 1.00 0.00 C ATOM 749 O SER A 32 11.267 -5.002 -5.296 1.00 0.00 O ATOM 750 CB SER A 32 9.157 -3.969 -3.064 1.00 0.00 C ATOM 751 OG SER A 32 9.255 -2.589 -2.756 1.00 0.00 O ATOM 0 H SER A 32 10.792 -3.545 -1.267 1.00 0.00 H new ATOM 0 HA SER A 32 10.394 -5.719 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.707 -4.094 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.497 -4.459 -2.348 1.00 0.00 H new ATOM 0 HG SER A 32 10.188 -2.301 -2.839 1.00 0.00 H new ATOM 757 N PHE A 33 12.028 -3.165 -4.237 1.00 0.00 N ATOM 758 CA PHE A 33 12.831 -2.702 -5.361 1.00 0.00 C ATOM 759 C PHE A 33 13.887 -3.744 -5.721 1.00 0.00 C ATOM 760 O PHE A 33 13.960 -4.204 -6.862 1.00 0.00 O ATOM 761 CB PHE A 33 13.484 -1.355 -5.011 1.00 0.00 C ATOM 762 CG PHE A 33 14.838 -1.138 -5.629 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.972 -0.948 -6.995 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.977 -1.124 -4.839 1.00 0.00 C ATOM 765 CE1 PHE A 33 16.215 -0.747 -7.562 1.00 0.00 C ATOM 766 CE2 PHE A 33 17.223 -0.924 -5.400 1.00 0.00 C ATOM 767 CZ PHE A 33 17.343 -0.735 -6.763 1.00 0.00 C ATOM 0 H PHE A 33 12.070 -2.562 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 33 12.188 -2.561 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.821 -0.551 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.577 -1.282 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.094 -0.957 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.889 -1.271 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.306 -0.599 -8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.103 -0.915 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.316 -0.578 -7.204 1.00 0.00 H new ATOM 777 N VAL A 34 14.700 -4.117 -4.737 1.00 0.00 N ATOM 778 CA VAL A 34 15.749 -5.109 -4.944 1.00 0.00 C ATOM 779 C VAL A 34 15.169 -6.397 -5.516 1.00 0.00 C ATOM 780 O VAL A 34 15.389 -6.715 -6.677 1.00 0.00 O ATOM 781 CB VAL A 34 16.499 -5.418 -3.633 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.638 -6.396 -3.882 1.00 0.00 C ATOM 783 CG2 VAL A 34 17.020 -4.134 -3.004 1.00 0.00 C ATOM 0 H VAL A 34 14.652 -3.747 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 34 16.457 -4.687 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 34 15.800 -5.883 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.154 -6.600 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.237 -7.326 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.340 -5.963 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.547 -4.370 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.703 -3.641 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.183 -3.470 -2.786 1.00 0.00 H new ATOM 793 N SER A 35 14.440 -7.143 -4.693 1.00 0.00 N ATOM 794 CA SER A 35 13.855 -8.399 -5.115 1.00 0.00 C ATOM 795 C SER A 35 13.134 -8.284 -6.434 1.00 0.00 C ATOM 796 O SER A 35 13.473 -8.994 -7.381 1.00 0.00 O ATOM 797 CB SER A 35 12.894 -8.919 -4.040 1.00 0.00 C ATOM 798 OG SER A 35 12.516 -10.261 -4.282 1.00 0.00 O ATOM 0 H SER A 35 14.242 -6.892 -3.724 1.00 0.00 H new ATOM 0 HA SER A 35 14.674 -9.105 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.368 -8.845 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.004 -8.290 -4.012 1.00 0.00 H new ATOM 0 HG SER A 35 13.045 -10.858 -3.712 1.00 0.00 H new ATOM 804 N GLY A 36 12.165 -7.394 -6.520 1.00 0.00 N ATOM 805 CA GLY A 36 11.462 -7.230 -7.779 1.00 0.00 C ATOM 806 C GLY A 36 12.415 -7.460 -8.933 1.00 0.00 C ATOM 807 O GLY A 36 12.112 -8.181 -9.884 1.00 0.00 O ATOM 0 H GLY A 36 11.853 -6.790 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.631 -7.933 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.037 -6.228 -7.841 1.00 0.00 H new ATOM 811 N VAL A 37 13.596 -6.860 -8.807 1.00 0.00 N ATOM 812 CA VAL A 37 14.652 -6.996 -9.781 1.00 0.00 C ATOM 813 C VAL A 37 15.597 -8.160 -9.454 1.00 0.00 C ATOM 814 O VAL A 37 15.660 -9.154 -10.178 1.00 0.00 O ATOM 815 CB VAL A 37 15.475 -5.697 -9.886 1.00 0.00 C ATOM 816 CG1 VAL A 37 16.506 -5.797 -11.001 1.00 0.00 C ATOM 817 CG2 VAL A 37 14.558 -4.502 -10.104 1.00 0.00 C ATOM 0 H VAL A 37 13.839 -6.263 -8.016 1.00 0.00 H new ATOM 0 HA VAL A 37 14.166 -7.204 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 37 16.009 -5.554 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.074 -4.868 -11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.184 -6.626 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.999 -5.969 -11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.156 -3.593 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.994 -4.640 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.867 -4.416 -9.266 1.00 0.00 H new ATOM 827 N ALA A 38 16.366 -7.986 -8.374 1.00 0.00 N ATOM 828 CA ALA A 38 17.362 -8.953 -7.939 1.00 0.00 C ATOM 829 C ALA A 38 16.814 -10.093 -7.095 1.00 0.00 C ATOM 830 O ALA A 38 16.730 -11.241 -7.532 1.00 0.00 O ATOM 831 CB ALA A 38 18.464 -8.239 -7.161 1.00 0.00 C ATOM 0 H ALA A 38 16.309 -7.161 -7.777 1.00 0.00 H new ATOM 0 HA ALA A 38 17.747 -9.409 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.209 -8.965 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.938 -7.495 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.033 -7.746 -6.289 1.00 0.00 H new ATOM 837 N SER A 39 16.516 -9.751 -5.849 1.00 0.00 N ATOM 838 CA SER A 39 16.050 -10.695 -4.847 1.00 0.00 C ATOM 839 C SER A 39 14.713 -11.360 -5.189 1.00 0.00 C ATOM 840 O SER A 39 14.170 -12.115 -4.383 1.00 0.00 O ATOM 841 CB SER A 39 15.985 -9.974 -3.507 1.00 0.00 C ATOM 842 OG SER A 39 16.560 -10.759 -2.476 1.00 0.00 O ATOM 0 H SER A 39 16.593 -8.795 -5.502 1.00 0.00 H new ATOM 0 HA SER A 39 16.762 -11.519 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.509 -9.021 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.947 -9.750 -3.261 1.00 0.00 H new ATOM 0 HG SER A 39 16.507 -10.273 -1.627 1.00 0.00 H new ATOM 848 N GLY A 40 14.182 -11.087 -6.380 1.00 0.00 N ATOM 849 CA GLY A 40 12.918 -11.679 -6.784 1.00 0.00 C ATOM 850 C GLY A 40 12.927 -13.192 -6.692 1.00 0.00 C ATOM 851 O GLY A 40 11.933 -13.802 -6.298 1.00 0.00 O ATOM 0 H GLY A 40 14.605 -10.467 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.119 -11.285 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.693 -11.382 -7.808 1.00 0.00 H new ATOM 855 N ALA A 41 14.053 -13.799 -7.055 1.00 0.00 N ATOM 856 CA ALA A 41 14.188 -15.250 -7.010 1.00 0.00 C ATOM 857 C ALA A 41 13.107 -15.932 -7.843 1.00 0.00 C ATOM 858 O ALA A 41 12.618 -17.004 -7.485 1.00 0.00 O ATOM 859 CB ALA A 41 14.135 -15.737 -5.571 1.00 0.00 C ATOM 0 H ALA A 41 14.885 -13.308 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 41 15.155 -15.514 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 41 14.237 -16.822 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.949 -15.285 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.181 -15.453 -5.126 1.00 0.00 H new ATOM 865 N GLY A 42 12.738 -15.304 -8.955 1.00 0.00 N ATOM 866 CA GLY A 42 11.719 -15.867 -9.820 1.00 0.00 C ATOM 867 C GLY A 42 10.330 -15.358 -9.488 1.00 0.00 C ATOM 868 O GLY A 42 9.579 -14.955 -10.377 1.00 0.00 O ATOM 0 H GLY A 42 13.127 -14.416 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.953 -15.625 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.734 -16.954 -9.735 1.00 0.00 H new ATOM 872 N SER A 43 9.988 -15.373 -8.202 1.00 0.00 N ATOM 873 CA SER A 43 8.682 -14.907 -7.747 1.00 0.00 C ATOM 874 C SER A 43 7.555 -15.535 -8.566 1.00 0.00 C ATOM 875 O SER A 43 6.728 -14.831 -9.145 1.00 0.00 O ATOM 876 CB SER A 43 8.610 -13.383 -7.835 1.00 0.00 C ATOM 877 OG SER A 43 7.673 -12.861 -6.908 1.00 0.00 O ATOM 0 H SER A 43 10.599 -15.704 -7.455 1.00 0.00 H new ATOM 0 HA SER A 43 8.555 -15.213 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.594 -12.958 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.329 -13.087 -8.846 1.00 0.00 H new ATOM 0 HG SER A 43 7.647 -11.884 -6.984 1.00 0.00 H new ATOM 883 N ILE A 44 7.529 -16.865 -8.605 1.00 0.00 N ATOM 884 CA ILE A 44 6.507 -17.594 -9.346 1.00 0.00 C ATOM 885 C ILE A 44 6.309 -17.010 -10.746 1.00 0.00 C ATOM 886 O ILE A 44 5.292 -16.378 -11.029 1.00 0.00 O ATOM 887 CB ILE A 44 5.165 -17.580 -8.587 1.00 0.00 C ATOM 888 CG1 ILE A 44 5.321 -18.254 -7.223 1.00 0.00 C ATOM 889 CG2 ILE A 44 4.074 -18.265 -9.400 1.00 0.00 C ATOM 890 CD1 ILE A 44 5.736 -17.302 -6.123 1.00 0.00 C ATOM 0 H ILE A 44 8.207 -17.460 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 44 6.852 -18.623 -9.445 1.00 0.00 H new ATOM 0 HB ILE A 44 4.869 -16.542 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.376 -18.724 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.062 -19.050 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.137 -18.242 -8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.945 -17.744 -10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.358 -19.300 -9.591 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.827 -17.848 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.696 -16.851 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.984 -16.520 -6.016 1.00 0.00 H new ATOM 902 N GLY A 45 7.292 -17.226 -11.614 1.00 0.00 N ATOM 903 CA GLY A 45 7.209 -16.716 -12.970 1.00 0.00 C ATOM 904 C GLY A 45 6.053 -17.315 -13.746 1.00 0.00 C ATOM 905 O GLY A 45 5.494 -16.671 -14.634 1.00 0.00 O ATOM 0 H GLY A 45 8.144 -17.745 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.100 -15.632 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.142 -16.928 -13.492 1.00 0.00 H new ATOM 909 N ARG A 46 5.694 -18.550 -13.412 1.00 0.00 N ATOM 910 CA ARG A 46 4.598 -19.235 -14.086 1.00 0.00 C ATOM 911 C ARG A 46 3.298 -19.081 -13.302 1.00 0.00 C ATOM 912 O ARG A 46 3.202 -18.131 -12.497 1.00 0.00 O ATOM 913 CB ARG A 46 4.928 -20.719 -14.262 1.00 0.00 C ATOM 914 CG ARG A 46 5.360 -21.403 -12.974 1.00 0.00 C ATOM 915 CD ARG A 46 4.562 -22.672 -12.719 1.00 0.00 C ATOM 916 NE ARG A 46 3.220 -22.383 -12.220 1.00 0.00 N ATOM 917 CZ ARG A 46 2.245 -23.288 -12.146 1.00 0.00 C ATOM 918 NH1 ARG A 46 2.459 -24.538 -12.539 1.00 0.00 N ATOM 919 NH2 ARG A 46 1.053 -22.941 -11.679 1.00 0.00 N ATOM 920 OXT ARG A 46 2.387 -19.912 -13.500 1.00 0.00 O ATOM 0 H ARG A 46 6.146 -19.097 -12.679 1.00 0.00 H new ATOM 0 HA ARG A 46 4.466 -18.780 -15.068 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.053 -21.233 -14.661 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.722 -20.821 -15.002 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.421 -21.645 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.232 -20.717 -12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.490 -23.247 -13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.091 -23.294 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 46 3.017 -21.433 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.374 -24.810 -12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.709 -25.227 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.883 -21.982 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.306 -23.633 -11.622 1.00 0.00 H new TER 934 ARG A 46