USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 441 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 10 SER OG : rot 180:sc= 0.294 USER MOD Set 1.2: A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= 0.601 (180deg=0.422) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 160:sc= -0.0394 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.19) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -167:sc= -0.0307 (180deg=-0.268) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.52 K(o=1.5,f=-2.4!) USER MOD Single : A 46 HIS : no HE2:sc= 0.815 K(o=0.82,f=-2.8!) USER MOD Single : A 50 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 52 MET CE :methyl 175:sc= 0 (180deg=-0.019) USER MOD Single : A 59 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00762 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.138 -6.311 7.486 1.00 10.00 N ATOM 2 CA MET A 1 12.948 -6.392 8.372 1.00 10.00 C ATOM 3 C MET A 1 12.007 -7.499 7.894 1.00 10.00 C ATOM 4 O MET A 1 11.662 -7.553 6.715 1.00 10.00 O ATOM 5 CB MET A 1 12.216 -5.036 8.451 1.00 10.00 C ATOM 6 CG MET A 1 11.027 -5.053 9.424 1.00 10.00 C ATOM 7 SD MET A 1 10.172 -3.460 9.577 1.00 10.00 S ATOM 8 CE MET A 1 8.832 -3.948 10.697 1.00 10.00 C ATOM 0 H1 MET A 1 14.769 -5.556 7.821 1.00 10.00 H new ATOM 0 H2 MET A 1 14.645 -7.219 7.502 1.00 10.00 H new ATOM 0 H3 MET A 1 13.833 -6.102 6.514 1.00 10.00 H new ATOM 0 HA MET A 1 13.287 -6.638 9.378 1.00 10.00 H new ATOM 0 HB2 MET A 1 12.922 -4.266 8.762 1.00 10.00 H new ATOM 0 HB3 MET A 1 11.862 -4.762 7.457 1.00 10.00 H new ATOM 0 HG2 MET A 1 10.312 -5.807 9.094 1.00 10.00 H new ATOM 0 HG3 MET A 1 11.381 -5.359 10.408 1.00 10.00 H new ATOM 0 HE1 MET A 1 8.199 -3.085 10.904 1.00 10.00 H new ATOM 0 HE2 MET A 1 8.236 -4.733 10.231 1.00 10.00 H new ATOM 0 HE3 MET A 1 9.255 -4.320 11.630 1.00 10.00 H new ATOM 20 N ASP A 2 11.572 -8.381 8.800 1.00 10.00 N ATOM 21 CA ASP A 2 10.644 -9.496 8.528 1.00 10.00 C ATOM 22 C ASP A 2 9.175 -9.022 8.401 1.00 10.00 C ATOM 23 O ASP A 2 8.305 -9.376 9.202 1.00 10.00 O ATOM 24 CB ASP A 2 10.841 -10.576 9.608 1.00 10.00 C ATOM 25 CG ASP A 2 10.043 -11.864 9.327 1.00 10.00 C ATOM 26 OD1 ASP A 2 10.007 -12.319 8.157 1.00 10.00 O ATOM 27 OD2 ASP A 2 9.490 -12.459 10.284 1.00 10.00 O ATOM 0 H ASP A 2 11.863 -8.341 9.777 1.00 10.00 H new ATOM 0 HA ASP A 2 10.876 -9.932 7.556 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.901 -10.821 9.680 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.541 -10.173 10.575 1.00 10.00 H new ATOM 32 N VAL A 3 8.906 -8.160 7.414 1.00 10.00 N ATOM 33 CA VAL A 3 7.584 -7.563 7.140 1.00 10.00 C ATOM 34 C VAL A 3 6.502 -8.599 6.791 1.00 10.00 C ATOM 35 O VAL A 3 6.778 -9.659 6.226 1.00 10.00 O ATOM 36 CB VAL A 3 7.663 -6.496 6.024 1.00 10.00 C ATOM 37 CG1 VAL A 3 8.515 -5.300 6.463 1.00 10.00 C ATOM 38 CG2 VAL A 3 8.219 -7.027 4.694 1.00 10.00 C ATOM 0 H VAL A 3 9.623 -7.845 6.760 1.00 10.00 H new ATOM 0 HA VAL A 3 7.286 -7.088 8.075 1.00 10.00 H new ATOM 0 HB VAL A 3 6.630 -6.192 5.854 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.553 -4.566 5.659 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.074 -4.845 7.350 1.00 10.00 H new ATOM 0 HG13 VAL A 3 9.525 -5.638 6.694 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.243 -6.220 3.962 1.00 10.00 H new ATOM 0 HG22 VAL A 3 9.229 -7.408 4.848 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.580 -7.830 4.327 1.00 10.00 H new ATOM 48 N GLU A 4 5.243 -8.266 7.085 1.00 10.00 N ATOM 49 CA GLU A 4 4.048 -9.085 6.816 1.00 10.00 C ATOM 50 C GLU A 4 3.342 -8.660 5.507 1.00 10.00 C ATOM 51 O GLU A 4 2.114 -8.726 5.381 1.00 10.00 O ATOM 52 CB GLU A 4 3.111 -8.994 8.035 1.00 10.00 C ATOM 53 CG GLU A 4 3.724 -9.576 9.318 1.00 10.00 C ATOM 54 CD GLU A 4 2.706 -9.542 10.474 1.00 10.00 C ATOM 55 OE1 GLU A 4 2.643 -8.525 11.208 1.00 10.00 O ATOM 56 OE2 GLU A 4 1.958 -10.533 10.660 1.00 10.00 O ATOM 0 H GLU A 4 5.013 -7.381 7.537 1.00 10.00 H new ATOM 0 HA GLU A 4 4.344 -10.123 6.667 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.850 -7.950 8.207 1.00 10.00 H new ATOM 0 HB3 GLU A 4 2.184 -9.522 7.812 1.00 10.00 H new ATOM 0 HG2 GLU A 4 4.045 -10.602 9.140 1.00 10.00 H new ATOM 0 HG3 GLU A 4 4.612 -9.007 9.593 1.00 10.00 H new ATOM 63 N PHE A 5 4.130 -8.177 4.541 1.00 10.00 N ATOM 64 CA PHE A 5 3.680 -7.658 3.245 1.00 10.00 C ATOM 65 C PHE A 5 2.908 -8.690 2.400 1.00 10.00 C ATOM 66 O PHE A 5 3.322 -9.847 2.265 1.00 10.00 O ATOM 67 CB PHE A 5 4.890 -7.109 2.475 1.00 10.00 C ATOM 68 CG PHE A 5 4.504 -6.253 1.283 1.00 10.00 C ATOM 69 CD1 PHE A 5 4.249 -6.842 0.028 1.00 10.00 C ATOM 70 CD2 PHE A 5 4.366 -4.860 1.440 1.00 10.00 C ATOM 71 CE1 PHE A 5 3.862 -6.041 -1.062 1.00 10.00 C ATOM 72 CE2 PHE A 5 3.982 -4.060 0.349 1.00 10.00 C ATOM 73 CZ PHE A 5 3.730 -4.651 -0.900 1.00 10.00 C ATOM 0 H PHE A 5 5.144 -8.135 4.646 1.00 10.00 H new ATOM 0 HA PHE A 5 2.967 -6.858 3.445 1.00 10.00 H new ATOM 0 HB2 PHE A 5 5.506 -6.519 3.153 1.00 10.00 H new ATOM 0 HB3 PHE A 5 5.502 -7.943 2.132 1.00 10.00 H new ATOM 0 HD1 PHE A 5 4.351 -7.910 -0.097 1.00 10.00 H new ATOM 0 HD2 PHE A 5 4.556 -4.405 2.401 1.00 10.00 H new ATOM 0 HE1 PHE A 5 3.666 -6.494 -2.023 1.00 10.00 H new ATOM 0 HE2 PHE A 5 3.881 -2.992 0.471 1.00 10.00 H new ATOM 0 HZ PHE A 5 3.434 -4.036 -1.737 1.00 10.00 H new ATOM 83 N LYS A 6 1.789 -8.240 1.820 1.00 10.00 N ATOM 84 CA LYS A 6 0.838 -8.978 0.968 1.00 10.00 C ATOM 85 C LYS A 6 -0.168 -7.997 0.343 1.00 10.00 C ATOM 86 O LYS A 6 -0.161 -6.812 0.687 1.00 10.00 O ATOM 87 CB LYS A 6 0.107 -10.045 1.818 1.00 10.00 C ATOM 88 CG LYS A 6 -0.620 -9.464 3.046 1.00 10.00 C ATOM 89 CD LYS A 6 -1.229 -10.566 3.925 1.00 10.00 C ATOM 90 CE LYS A 6 -1.663 -10.004 5.287 1.00 10.00 C ATOM 91 NZ LYS A 6 -0.499 -9.756 6.182 1.00 10.00 N ATOM 0 H LYS A 6 1.498 -7.270 1.942 1.00 10.00 H new ATOM 0 HA LYS A 6 1.376 -9.479 0.163 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -0.617 -10.564 1.190 1.00 10.00 H new ATOM 0 HB3 LYS A 6 0.830 -10.789 2.153 1.00 10.00 H new ATOM 0 HG2 LYS A 6 0.080 -8.874 3.637 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -1.407 -8.787 2.715 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -2.088 -11.007 3.419 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -0.501 -11.364 4.072 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -2.211 -9.074 5.138 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -2.347 -10.704 5.767 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -0.721 -8.975 6.832 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -0.293 -10.615 6.730 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 0.332 -9.504 5.609 1.00 10.00 H new ATOM 105 N CYS A 7 -1.071 -8.491 -0.508 1.00 10.00 N ATOM 106 CA CYS A 7 -2.176 -7.730 -1.114 1.00 10.00 C ATOM 107 C CYS A 7 -3.306 -7.444 -0.084 1.00 10.00 C ATOM 108 O CYS A 7 -4.481 -7.763 -0.280 1.00 10.00 O ATOM 109 CB CYS A 7 -2.642 -8.456 -2.390 1.00 10.00 C ATOM 110 SG CYS A 7 -3.721 -7.363 -3.370 1.00 10.00 S ATOM 0 H CYS A 7 -1.056 -9.466 -0.807 1.00 10.00 H new ATOM 0 HA CYS A 7 -1.833 -6.740 -1.416 1.00 10.00 H new ATOM 0 HB2 CYS A 7 -1.778 -8.756 -2.984 1.00 10.00 H new ATOM 0 HB3 CYS A 7 -3.178 -9.367 -2.125 1.00 10.00 H new ATOM 115 N THR A 8 -2.943 -6.857 1.063 1.00 10.00 N ATOM 116 CA THR A 8 -3.870 -6.479 2.148 1.00 10.00 C ATOM 117 C THR A 8 -4.874 -5.410 1.686 1.00 10.00 C ATOM 118 O THR A 8 -6.006 -5.343 2.173 1.00 10.00 O ATOM 119 CB THR A 8 -3.081 -6.031 3.393 1.00 10.00 C ATOM 120 OG1 THR A 8 -3.945 -5.875 4.496 1.00 10.00 O ATOM 121 CG2 THR A 8 -2.299 -4.726 3.212 1.00 10.00 C ATOM 0 H THR A 8 -1.972 -6.624 1.272 1.00 10.00 H new ATOM 0 HA THR A 8 -4.456 -7.357 2.421 1.00 10.00 H new ATOM 0 HB THR A 8 -2.354 -6.825 3.563 1.00 10.00 H new ATOM 0 HG1 THR A 8 -3.428 -5.592 5.279 1.00 10.00 H new ATOM 0 HG21 THR A 8 -1.774 -4.486 4.136 1.00 10.00 H new ATOM 0 HG22 THR A 8 -1.577 -4.844 2.404 1.00 10.00 H new ATOM 0 HG23 THR A 8 -2.990 -3.919 2.967 1.00 10.00 H new ATOM 129 N CYS A 9 -4.479 -4.615 0.684 1.00 10.00 N ATOM 130 CA CYS A 9 -5.280 -3.600 0.012 1.00 10.00 C ATOM 131 C CYS A 9 -6.480 -4.218 -0.750 1.00 10.00 C ATOM 132 O CYS A 9 -7.582 -3.660 -0.755 1.00 10.00 O ATOM 133 CB CYS A 9 -4.299 -2.810 -0.870 1.00 10.00 C ATOM 134 SG CYS A 9 -3.465 -3.877 -2.085 1.00 10.00 S ATOM 0 H CYS A 9 -3.535 -4.671 0.303 1.00 10.00 H new ATOM 0 HA CYS A 9 -5.762 -2.922 0.716 1.00 10.00 H new ATOM 0 HB2 CYS A 9 -4.837 -2.018 -1.391 1.00 10.00 H new ATOM 0 HB3 CYS A 9 -3.553 -2.327 -0.239 1.00 10.00 H new ATOM 139 N SER A 10 -6.279 -5.419 -1.300 1.00 10.00 N ATOM 140 CA SER A 10 -7.264 -6.261 -1.992 1.00 10.00 C ATOM 141 C SER A 10 -8.052 -5.569 -3.123 1.00 10.00 C ATOM 142 O SER A 10 -7.766 -4.443 -3.551 1.00 10.00 O ATOM 143 CB SER A 10 -8.212 -6.844 -0.926 1.00 10.00 C ATOM 144 OG SER A 10 -8.894 -8.001 -1.390 1.00 10.00 O ATOM 0 H SER A 10 -5.360 -5.861 -1.272 1.00 10.00 H new ATOM 0 HA SER A 10 -6.711 -7.042 -2.513 1.00 10.00 H new ATOM 0 HB2 SER A 10 -7.641 -7.095 -0.032 1.00 10.00 H new ATOM 0 HB3 SER A 10 -8.940 -6.087 -0.636 1.00 10.00 H new ATOM 0 HG SER A 10 -9.483 -8.339 -0.683 1.00 10.00 H new ATOM 150 N ARG A 11 -9.107 -6.249 -3.590 1.00 10.00 N ATOM 151 CA ARG A 11 -10.071 -5.755 -4.582 1.00 10.00 C ATOM 152 C ARG A 11 -10.693 -4.437 -4.132 1.00 10.00 C ATOM 153 O ARG A 11 -10.969 -3.578 -4.960 1.00 10.00 O ATOM 154 CB ARG A 11 -11.166 -6.817 -4.772 1.00 10.00 C ATOM 155 CG ARG A 11 -12.066 -6.528 -5.986 1.00 10.00 C ATOM 156 CD ARG A 11 -13.088 -7.655 -6.206 1.00 10.00 C ATOM 157 NE ARG A 11 -13.978 -7.397 -7.360 1.00 10.00 N ATOM 158 CZ ARG A 11 -13.675 -7.514 -8.640 1.00 10.00 C ATOM 159 NH1 ARG A 11 -12.487 -7.837 -9.056 1.00 10.00 N ATOM 160 NH2 ARG A 11 -14.554 -7.312 -9.573 1.00 10.00 N ATOM 0 H ARG A 11 -9.321 -7.195 -3.275 1.00 10.00 H new ATOM 0 HA ARG A 11 -9.555 -5.573 -5.525 1.00 10.00 H new ATOM 0 HB2 ARG A 11 -10.701 -7.795 -4.894 1.00 10.00 H new ATOM 0 HB3 ARG A 11 -11.780 -6.866 -3.873 1.00 10.00 H new ATOM 0 HG2 ARG A 11 -12.590 -5.584 -5.836 1.00 10.00 H new ATOM 0 HG3 ARG A 11 -11.451 -6.413 -6.878 1.00 10.00 H new ATOM 0 HD2 ARG A 11 -12.559 -8.595 -6.363 1.00 10.00 H new ATOM 0 HD3 ARG A 11 -13.691 -7.775 -5.306 1.00 10.00 H new ATOM 0 HE ARG A 11 -14.928 -7.096 -7.143 1.00 10.00 H new ATOM 0 HH11 ARG A 11 -11.741 -8.012 -8.383 1.00 10.00 H new ATOM 0 HH12 ARG A 11 -12.301 -7.915 -10.056 1.00 10.00 H new ATOM 0 HH21 ARG A 11 -15.510 -7.055 -9.326 1.00 10.00 H new ATOM 0 HH22 ARG A 11 -14.289 -7.410 -10.553 1.00 10.00 H new ATOM 174 N GLU A 12 -10.897 -4.279 -2.823 1.00 10.00 N ATOM 175 CA GLU A 12 -11.498 -3.075 -2.229 1.00 10.00 C ATOM 176 C GLU A 12 -10.708 -1.791 -2.548 1.00 10.00 C ATOM 177 O GLU A 12 -11.294 -0.818 -3.028 1.00 10.00 O ATOM 178 CB GLU A 12 -11.637 -3.284 -0.711 1.00 10.00 C ATOM 179 CG GLU A 12 -12.423 -2.155 -0.031 1.00 10.00 C ATOM 180 CD GLU A 12 -12.636 -2.450 1.466 1.00 10.00 C ATOM 181 OE1 GLU A 12 -13.615 -3.153 1.818 1.00 10.00 O ATOM 182 OE2 GLU A 12 -11.834 -1.972 2.306 1.00 10.00 O ATOM 0 H GLU A 12 -10.648 -4.989 -2.135 1.00 10.00 H new ATOM 0 HA GLU A 12 -12.483 -2.932 -2.674 1.00 10.00 H new ATOM 0 HB2 GLU A 12 -12.137 -4.234 -0.523 1.00 10.00 H new ATOM 0 HB3 GLU A 12 -10.645 -3.351 -0.265 1.00 10.00 H new ATOM 0 HG2 GLU A 12 -11.886 -1.213 -0.146 1.00 10.00 H new ATOM 0 HG3 GLU A 12 -13.389 -2.033 -0.522 1.00 10.00 H new ATOM 189 N ARG A 13 -9.379 -1.781 -2.365 1.00 10.00 N ATOM 190 CA ARG A 13 -8.541 -0.625 -2.737 1.00 10.00 C ATOM 191 C ARG A 13 -8.310 -0.543 -4.245 1.00 10.00 C ATOM 192 O ARG A 13 -8.230 0.558 -4.784 1.00 10.00 O ATOM 193 CB ARG A 13 -7.231 -0.593 -1.952 1.00 10.00 C ATOM 194 CG ARG A 13 -7.443 -0.316 -0.449 1.00 10.00 C ATOM 195 CD ARG A 13 -6.612 0.871 0.060 1.00 10.00 C ATOM 196 NE ARG A 13 -7.107 2.168 -0.454 1.00 10.00 N ATOM 197 CZ ARG A 13 -6.609 3.361 -0.182 1.00 10.00 C ATOM 198 NH1 ARG A 13 -5.570 3.516 0.592 1.00 10.00 N ATOM 199 NH2 ARG A 13 -7.154 4.437 -0.670 1.00 10.00 N ATOM 0 H ARG A 13 -8.859 -2.560 -1.961 1.00 10.00 H new ATOM 0 HA ARG A 13 -9.097 0.270 -2.458 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -6.717 -1.547 -2.072 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -6.580 0.175 -2.370 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.499 -0.119 -0.266 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -7.181 -1.208 0.121 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.631 0.884 1.150 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -5.572 0.738 -0.239 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.912 2.138 -1.080 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.117 2.702 1.007 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.210 4.451 0.782 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.976 4.365 -1.270 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.760 5.352 -0.452 1.00 10.00 H new ATOM 213 N CYS A 14 -8.239 -1.674 -4.950 1.00 10.00 N ATOM 214 CA CYS A 14 -8.145 -1.669 -6.415 1.00 10.00 C ATOM 215 C CYS A 14 -9.392 -0.999 -7.041 1.00 10.00 C ATOM 216 O CYS A 14 -9.282 -0.222 -7.990 1.00 10.00 O ATOM 217 CB CYS A 14 -7.945 -3.103 -6.907 1.00 10.00 C ATOM 218 SG CYS A 14 -7.251 -3.039 -8.582 1.00 10.00 S ATOM 0 H CYS A 14 -8.245 -2.605 -4.533 1.00 10.00 H new ATOM 0 HA CYS A 14 -7.286 -1.078 -6.731 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -7.275 -3.644 -6.239 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -8.894 -3.639 -6.909 1.00 10.00 H new ATOM 0 HG CYS A 14 -6.683 -4.175 -8.860 1.00 10.00 H new ATOM 224 N ALA A 15 -10.575 -1.240 -6.463 1.00 10.00 N ATOM 225 CA ALA A 15 -11.829 -0.586 -6.839 1.00 10.00 C ATOM 226 C ALA A 15 -11.789 0.912 -6.475 1.00 10.00 C ATOM 227 O ALA A 15 -12.241 1.747 -7.253 1.00 10.00 O ATOM 228 CB ALA A 15 -12.999 -1.289 -6.141 1.00 10.00 C ATOM 0 H ALA A 15 -10.687 -1.911 -5.703 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.965 -0.661 -7.918 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.934 -0.803 -6.420 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.029 -2.335 -6.445 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -12.867 -1.229 -5.061 1.00 10.00 H new ATOM 234 N ASP A 16 -11.210 1.274 -5.324 1.00 10.00 N ATOM 235 CA ASP A 16 -11.020 2.669 -4.893 1.00 10.00 C ATOM 236 C ASP A 16 -10.124 3.455 -5.876 1.00 10.00 C ATOM 237 O ASP A 16 -10.371 4.630 -6.146 1.00 10.00 O ATOM 238 CB ASP A 16 -10.451 2.676 -3.467 1.00 10.00 C ATOM 239 CG ASP A 16 -10.500 4.052 -2.795 1.00 10.00 C ATOM 240 OD1 ASP A 16 -11.603 4.648 -2.731 1.00 10.00 O ATOM 241 OD2 ASP A 16 -9.450 4.491 -2.268 1.00 10.00 O ATOM 0 H ASP A 16 -10.853 0.595 -4.652 1.00 10.00 H new ATOM 0 HA ASP A 16 -11.984 3.178 -4.893 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -11.008 1.964 -2.859 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -9.417 2.331 -3.495 1.00 10.00 H new ATOM 246 N ALA A 17 -9.122 2.796 -6.469 1.00 10.00 N ATOM 247 CA ALA A 17 -8.262 3.363 -7.513 1.00 10.00 C ATOM 248 C ALA A 17 -9.047 3.643 -8.818 1.00 10.00 C ATOM 249 O ALA A 17 -8.752 4.602 -9.532 1.00 10.00 O ATOM 250 CB ALA A 17 -7.070 2.429 -7.754 1.00 10.00 C ATOM 0 H ALA A 17 -8.882 1.834 -6.231 1.00 10.00 H new ATOM 0 HA ALA A 17 -7.888 4.328 -7.172 1.00 10.00 H new ATOM 0 HB1 ALA A 17 -6.430 2.849 -8.530 1.00 10.00 H new ATOM 0 HB2 ALA A 17 -6.500 2.322 -6.831 1.00 10.00 H new ATOM 0 HB3 ALA A 17 -7.432 1.451 -8.072 1.00 10.00 H new ATOM 256 N LEU A 18 -10.052 2.815 -9.136 1.00 10.00 N ATOM 257 CA LEU A 18 -10.949 2.958 -10.283 1.00 10.00 C ATOM 258 C LEU A 18 -11.993 4.066 -10.023 1.00 10.00 C ATOM 259 O LEU A 18 -12.247 4.891 -10.898 1.00 10.00 O ATOM 260 CB LEU A 18 -11.547 1.557 -10.536 1.00 10.00 C ATOM 261 CG LEU A 18 -12.918 1.481 -11.215 1.00 10.00 C ATOM 262 CD1 LEU A 18 -12.915 2.010 -12.651 1.00 10.00 C ATOM 263 CD2 LEU A 18 -13.386 0.026 -11.257 1.00 10.00 C ATOM 0 H LEU A 18 -10.268 1.992 -8.574 1.00 10.00 H new ATOM 0 HA LEU A 18 -10.434 3.287 -11.185 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -10.839 0.995 -11.145 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -11.619 1.045 -9.577 1.00 10.00 H new ATOM 0 HG LEU A 18 -13.585 2.109 -10.625 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -13.917 1.927 -13.072 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -12.607 3.055 -12.653 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -12.219 1.425 -13.253 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -14.362 -0.029 -11.740 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -12.668 -0.571 -11.820 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -13.462 -0.361 -10.241 1.00 10.00 H new ATOM 275 N LYS A 19 -12.578 4.122 -8.819 1.00 10.00 N ATOM 276 CA LYS A 19 -13.565 5.082 -8.346 1.00 10.00 C ATOM 277 C LYS A 19 -13.193 6.553 -8.605 1.00 10.00 C ATOM 278 O LYS A 19 -14.070 7.360 -8.913 1.00 10.00 O ATOM 279 CB LYS A 19 -13.696 4.775 -6.846 1.00 10.00 C ATOM 280 CG LYS A 19 -14.926 5.408 -6.229 1.00 10.00 C ATOM 281 CD LYS A 19 -14.827 5.497 -4.697 1.00 10.00 C ATOM 282 CE LYS A 19 -14.839 4.119 -4.019 1.00 10.00 C ATOM 283 NZ LYS A 19 -14.350 4.207 -2.619 1.00 10.00 N ATOM 0 H LYS A 19 -12.349 3.438 -8.098 1.00 10.00 H new ATOM 0 HA LYS A 19 -14.504 4.973 -8.889 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -13.736 3.695 -6.702 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -12.807 5.133 -6.326 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -15.064 6.408 -6.641 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -15.807 4.827 -6.501 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -13.911 6.022 -4.427 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -15.659 6.091 -4.318 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -15.851 3.714 -4.029 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -14.213 3.427 -4.583 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -14.432 3.276 -2.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -13.354 4.507 -2.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -14.921 4.900 -2.095 1.00 10.00 H new ATOM 297 N THR A 20 -11.911 6.908 -8.488 1.00 10.00 N ATOM 298 CA THR A 20 -11.406 8.280 -8.703 1.00 10.00 C ATOM 299 C THR A 20 -11.267 8.684 -10.180 1.00 10.00 C ATOM 300 O THR A 20 -11.116 9.875 -10.465 1.00 10.00 O ATOM 301 CB THR A 20 -10.057 8.498 -7.996 1.00 10.00 C ATOM 302 OG1 THR A 20 -9.117 7.536 -8.419 1.00 10.00 O ATOM 303 CG2 THR A 20 -10.183 8.395 -6.475 1.00 10.00 C ATOM 0 H THR A 20 -11.178 6.245 -8.238 1.00 10.00 H new ATOM 0 HA THR A 20 -12.172 8.922 -8.268 1.00 10.00 H new ATOM 0 HB THR A 20 -9.727 9.503 -8.261 1.00 10.00 H new ATOM 0 HG1 THR A 20 -8.264 7.689 -7.962 1.00 10.00 H new ATOM 0 HG21 THR A 20 -9.207 8.556 -6.017 1.00 10.00 H new ATOM 0 HG22 THR A 20 -10.881 9.151 -6.116 1.00 10.00 H new ATOM 0 HG23 THR A 20 -10.551 7.405 -6.207 1.00 10.00 H new ATOM 311 N LEU A 21 -11.339 7.744 -11.133 1.00 10.00 N ATOM 312 CA LEU A 21 -11.268 8.030 -12.571 1.00 10.00 C ATOM 313 C LEU A 21 -12.550 8.740 -13.071 1.00 10.00 C ATOM 314 O LEU A 21 -13.624 8.518 -12.497 1.00 10.00 O ATOM 315 CB LEU A 21 -11.067 6.713 -13.346 1.00 10.00 C ATOM 316 CG LEU A 21 -9.783 5.928 -13.012 1.00 10.00 C ATOM 317 CD1 LEU A 21 -9.757 4.625 -13.813 1.00 10.00 C ATOM 318 CD2 LEU A 21 -8.516 6.718 -13.348 1.00 10.00 C ATOM 0 H LEU A 21 -11.450 6.752 -10.923 1.00 10.00 H new ATOM 0 HA LEU A 21 -10.425 8.698 -12.745 1.00 10.00 H new ATOM 0 HB2 LEU A 21 -11.925 6.067 -13.157 1.00 10.00 H new ATOM 0 HB3 LEU A 21 -11.066 6.937 -14.413 1.00 10.00 H new ATOM 0 HG LEU A 21 -9.796 5.734 -11.939 1.00 10.00 H new ATOM 0 HD11 LEU A 21 -8.849 4.071 -13.576 1.00 10.00 H new ATOM 0 HD12 LEU A 21 -10.628 4.022 -13.555 1.00 10.00 H new ATOM 0 HD13 LEU A 21 -9.776 4.853 -14.879 1.00 10.00 H new ATOM 0 HD21 LEU A 21 -7.638 6.123 -13.095 1.00 10.00 H new ATOM 0 HD22 LEU A 21 -8.503 6.949 -14.413 1.00 10.00 H new ATOM 0 HD23 LEU A 21 -8.503 7.645 -12.776 1.00 10.00 H new ATOM 330 N PRO A 22 -12.479 9.574 -14.132 1.00 10.00 N ATOM 331 CA PRO A 22 -13.646 10.259 -14.698 1.00 10.00 C ATOM 332 C PRO A 22 -14.790 9.298 -15.058 1.00 10.00 C ATOM 333 O PRO A 22 -14.574 8.282 -15.722 1.00 10.00 O ATOM 334 CB PRO A 22 -13.137 10.999 -15.943 1.00 10.00 C ATOM 335 CG PRO A 22 -11.648 11.185 -15.669 1.00 10.00 C ATOM 336 CD PRO A 22 -11.281 9.930 -14.881 1.00 10.00 C ATOM 0 HA PRO A 22 -14.073 10.940 -13.962 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -13.308 10.420 -16.851 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -13.643 11.956 -16.075 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -11.075 11.263 -16.593 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -11.454 12.092 -15.096 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -10.981 9.122 -15.548 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -10.442 10.119 -14.212 1.00 10.00 H new ATOM 344 N ASP A 23 -16.016 9.631 -14.647 1.00 10.00 N ATOM 345 CA ASP A 23 -17.219 8.824 -14.909 1.00 10.00 C ATOM 346 C ASP A 23 -17.430 8.540 -16.405 1.00 10.00 C ATOM 347 O ASP A 23 -17.725 7.413 -16.800 1.00 10.00 O ATOM 348 CB ASP A 23 -18.435 9.563 -14.338 1.00 10.00 C ATOM 349 CG ASP A 23 -19.729 8.750 -14.489 1.00 10.00 C ATOM 350 OD1 ASP A 23 -19.805 7.631 -13.928 1.00 10.00 O ATOM 351 OD2 ASP A 23 -20.684 9.235 -15.139 1.00 10.00 O ATOM 0 H ASP A 23 -16.208 10.480 -14.115 1.00 10.00 H new ATOM 0 HA ASP A 23 -17.089 7.856 -14.425 1.00 10.00 H new ATOM 0 HB2 ASP A 23 -18.265 9.780 -13.283 1.00 10.00 H new ATOM 0 HB3 ASP A 23 -18.548 10.521 -14.846 1.00 10.00 H new ATOM 356 N GLU A 24 -17.243 9.566 -17.239 1.00 10.00 N ATOM 357 CA GLU A 24 -17.368 9.469 -18.698 1.00 10.00 C ATOM 358 C GLU A 24 -16.324 8.520 -19.316 1.00 10.00 C ATOM 359 O GLU A 24 -16.648 7.762 -20.229 1.00 10.00 O ATOM 360 CB GLU A 24 -17.275 10.879 -19.304 1.00 10.00 C ATOM 361 CG GLU A 24 -17.584 10.901 -20.807 1.00 10.00 C ATOM 362 CD GLU A 24 -17.639 12.346 -21.339 1.00 10.00 C ATOM 363 OE1 GLU A 24 -16.570 12.927 -21.651 1.00 10.00 O ATOM 364 OE2 GLU A 24 -18.753 12.914 -21.459 1.00 10.00 O ATOM 0 H GLU A 24 -16.997 10.502 -16.916 1.00 10.00 H new ATOM 0 HA GLU A 24 -18.340 9.036 -18.933 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -17.970 11.539 -18.785 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -16.274 11.276 -19.138 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -16.821 10.340 -21.347 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -18.536 10.405 -20.993 1.00 10.00 H new ATOM 371 N GLU A 25 -15.085 8.507 -18.809 1.00 10.00 N ATOM 372 CA GLU A 25 -14.033 7.599 -19.290 1.00 10.00 C ATOM 373 C GLU A 25 -14.342 6.144 -18.902 1.00 10.00 C ATOM 374 O GLU A 25 -14.261 5.248 -19.744 1.00 10.00 O ATOM 375 CB GLU A 25 -12.663 8.050 -18.755 1.00 10.00 C ATOM 376 CG GLU A 25 -11.514 7.230 -19.357 1.00 10.00 C ATOM 377 CD GLU A 25 -10.146 7.821 -18.969 1.00 10.00 C ATOM 378 OE1 GLU A 25 -9.653 8.735 -19.676 1.00 10.00 O ATOM 379 OE2 GLU A 25 -9.545 7.370 -17.963 1.00 10.00 O ATOM 0 H GLU A 25 -14.783 9.124 -18.055 1.00 10.00 H new ATOM 0 HA GLU A 25 -14.003 7.641 -20.379 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -12.514 9.105 -18.983 1.00 10.00 H new ATOM 0 HB3 GLU A 25 -12.648 7.953 -17.669 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -11.579 6.199 -19.010 1.00 10.00 H new ATOM 0 HG3 GLU A 25 -11.609 7.208 -20.443 1.00 10.00 H new ATOM 386 N VAL A 26 -14.754 5.909 -17.650 1.00 10.00 N ATOM 387 CA VAL A 26 -15.158 4.581 -17.154 1.00 10.00 C ATOM 388 C VAL A 26 -16.336 4.046 -17.980 1.00 10.00 C ATOM 389 O VAL A 26 -16.285 2.921 -18.478 1.00 10.00 O ATOM 390 CB VAL A 26 -15.486 4.653 -15.646 1.00 10.00 C ATOM 391 CG1 VAL A 26 -16.118 3.368 -15.099 1.00 10.00 C ATOM 392 CG2 VAL A 26 -14.208 4.912 -14.834 1.00 10.00 C ATOM 0 H VAL A 26 -14.818 6.641 -16.943 1.00 10.00 H new ATOM 0 HA VAL A 26 -14.332 3.880 -17.273 1.00 10.00 H new ATOM 0 HB VAL A 26 -16.204 5.467 -15.543 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -16.323 3.487 -14.035 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -17.050 3.167 -15.627 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -15.431 2.534 -15.245 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -14.454 4.960 -13.773 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -13.498 4.103 -15.005 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -13.764 5.857 -15.147 1.00 10.00 H new ATOM 402 N ASP A 27 -17.376 4.861 -18.184 1.00 10.00 N ATOM 403 CA ASP A 27 -18.543 4.507 -19.001 1.00 10.00 C ATOM 404 C ASP A 27 -18.172 4.242 -20.473 1.00 10.00 C ATOM 405 O ASP A 27 -18.684 3.297 -21.075 1.00 10.00 O ATOM 406 CB ASP A 27 -19.588 5.625 -18.891 1.00 10.00 C ATOM 407 CG ASP A 27 -20.882 5.277 -19.644 1.00 10.00 C ATOM 408 OD1 ASP A 27 -21.662 4.431 -19.144 1.00 10.00 O ATOM 409 OD2 ASP A 27 -21.136 5.866 -20.722 1.00 10.00 O ATOM 0 H ASP A 27 -17.432 5.797 -17.782 1.00 10.00 H new ATOM 0 HA ASP A 27 -18.958 3.574 -18.619 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -19.817 5.806 -17.841 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -19.173 6.550 -19.291 1.00 10.00 H new ATOM 414 N SER A 28 -17.259 5.034 -21.050 1.00 10.00 N ATOM 415 CA SER A 28 -16.787 4.873 -22.432 1.00 10.00 C ATOM 416 C SER A 28 -16.138 3.501 -22.664 1.00 10.00 C ATOM 417 O SER A 28 -16.467 2.826 -23.641 1.00 10.00 O ATOM 418 CB SER A 28 -15.813 6.003 -22.791 1.00 10.00 C ATOM 419 OG SER A 28 -15.420 5.921 -24.151 1.00 10.00 O ATOM 0 H SER A 28 -16.821 5.816 -20.563 1.00 10.00 H new ATOM 0 HA SER A 28 -17.656 4.929 -23.088 1.00 10.00 H new ATOM 0 HB2 SER A 28 -16.284 6.968 -22.602 1.00 10.00 H new ATOM 0 HB3 SER A 28 -14.933 5.947 -22.150 1.00 10.00 H new ATOM 0 HG SER A 28 -14.801 6.652 -24.357 1.00 10.00 H new ATOM 425 N ILE A 29 -15.261 3.045 -21.755 1.00 10.00 N ATOM 426 CA ILE A 29 -14.622 1.722 -21.846 1.00 10.00 C ATOM 427 C ILE A 29 -15.677 0.604 -21.749 1.00 10.00 C ATOM 428 O ILE A 29 -15.676 -0.328 -22.557 1.00 10.00 O ATOM 429 CB ILE A 29 -13.510 1.559 -20.783 1.00 10.00 C ATOM 430 CG1 ILE A 29 -12.409 2.634 -20.960 1.00 10.00 C ATOM 431 CG2 ILE A 29 -12.879 0.157 -20.901 1.00 10.00 C ATOM 432 CD1 ILE A 29 -11.462 2.754 -19.758 1.00 10.00 C ATOM 0 H ILE A 29 -14.975 3.583 -20.937 1.00 10.00 H new ATOM 0 HA ILE A 29 -14.141 1.641 -22.821 1.00 10.00 H new ATOM 0 HB ILE A 29 -13.960 1.682 -19.798 1.00 10.00 H new ATOM 0 HG12 ILE A 29 -11.824 2.399 -21.849 1.00 10.00 H new ATOM 0 HG13 ILE A 29 -12.882 3.600 -21.136 1.00 10.00 H new ATOM 0 HG21 ILE A 29 -12.096 0.046 -20.151 1.00 10.00 H new ATOM 0 HG22 ILE A 29 -13.645 -0.602 -20.741 1.00 10.00 H new ATOM 0 HG23 ILE A 29 -12.449 0.034 -21.895 1.00 10.00 H new ATOM 0 HD11 ILE A 29 -10.719 3.526 -19.956 1.00 10.00 H new ATOM 0 HD12 ILE A 29 -12.034 3.020 -18.869 1.00 10.00 H new ATOM 0 HD13 ILE A 29 -10.960 1.801 -19.594 1.00 10.00 H new ATOM 444 N LEU A 30 -16.622 0.707 -20.804 1.00 10.00 N ATOM 445 CA LEU A 30 -17.711 -0.269 -20.668 1.00 10.00 C ATOM 446 C LEU A 30 -18.575 -0.343 -21.940 1.00 10.00 C ATOM 447 O LEU A 30 -18.960 -1.438 -22.350 1.00 10.00 O ATOM 448 CB LEU A 30 -18.581 0.066 -19.447 1.00 10.00 C ATOM 449 CG LEU A 30 -17.890 -0.101 -18.083 1.00 10.00 C ATOM 450 CD1 LEU A 30 -18.863 0.353 -16.999 1.00 10.00 C ATOM 451 CD2 LEU A 30 -17.473 -1.545 -17.796 1.00 10.00 C ATOM 0 H LEU A 30 -16.653 1.462 -20.119 1.00 10.00 H new ATOM 0 HA LEU A 30 -17.257 -1.249 -20.522 1.00 10.00 H new ATOM 0 HB2 LEU A 30 -18.925 1.096 -19.538 1.00 10.00 H new ATOM 0 HB3 LEU A 30 -19.467 -0.569 -19.467 1.00 10.00 H new ATOM 0 HG LEU A 30 -16.980 0.499 -18.096 1.00 10.00 H new ATOM 0 HD11 LEU A 30 -18.395 0.244 -16.021 1.00 10.00 H new ATOM 0 HD12 LEU A 30 -19.126 1.398 -17.161 1.00 10.00 H new ATOM 0 HD13 LEU A 30 -19.764 -0.258 -17.040 1.00 10.00 H new ATOM 0 HD21 LEU A 30 -16.991 -1.597 -16.820 1.00 10.00 H new ATOM 0 HD22 LEU A 30 -18.355 -2.186 -17.801 1.00 10.00 H new ATOM 0 HD23 LEU A 30 -16.776 -1.882 -18.563 1.00 10.00 H new ATOM 463 N ALA A 31 -18.841 0.794 -22.590 1.00 10.00 N ATOM 464 CA ALA A 31 -19.614 0.883 -23.831 1.00 10.00 C ATOM 465 C ALA A 31 -18.952 0.208 -25.059 1.00 10.00 C ATOM 466 O ALA A 31 -19.616 0.052 -26.087 1.00 10.00 O ATOM 467 CB ALA A 31 -19.931 2.360 -24.103 1.00 10.00 C ATOM 0 H ALA A 31 -18.516 1.702 -22.258 1.00 10.00 H new ATOM 0 HA ALA A 31 -20.531 0.312 -23.681 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -20.507 2.445 -25.025 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -20.511 2.766 -23.274 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -19.001 2.919 -24.204 1.00 10.00 H new ATOM 473 N GLU A 32 -17.679 -0.211 -24.979 1.00 10.00 N ATOM 474 CA GLU A 32 -16.958 -0.884 -26.078 1.00 10.00 C ATOM 475 C GLU A 32 -16.349 -2.256 -25.717 1.00 10.00 C ATOM 476 O GLU A 32 -15.956 -2.993 -26.624 1.00 10.00 O ATOM 477 CB GLU A 32 -15.913 0.060 -26.704 1.00 10.00 C ATOM 478 CG GLU A 32 -14.721 0.392 -25.795 1.00 10.00 C ATOM 479 CD GLU A 32 -13.649 1.191 -26.564 1.00 10.00 C ATOM 480 OE1 GLU A 32 -13.854 2.398 -26.842 1.00 10.00 O ATOM 481 OE2 GLU A 32 -12.585 0.616 -26.903 1.00 10.00 O ATOM 0 H GLU A 32 -17.112 -0.092 -24.140 1.00 10.00 H new ATOM 0 HA GLU A 32 -17.719 -1.118 -26.823 1.00 10.00 H new ATOM 0 HB2 GLU A 32 -15.537 -0.393 -27.621 1.00 10.00 H new ATOM 0 HB3 GLU A 32 -16.407 0.990 -26.987 1.00 10.00 H new ATOM 0 HG2 GLU A 32 -15.063 0.968 -24.936 1.00 10.00 H new ATOM 0 HG3 GLU A 32 -14.286 -0.529 -25.408 1.00 10.00 H new ATOM 488 N ASP A 33 -16.273 -2.627 -24.430 1.00 10.00 N ATOM 489 CA ASP A 33 -15.705 -3.917 -23.985 1.00 10.00 C ATOM 490 C ASP A 33 -16.404 -4.574 -22.774 1.00 10.00 C ATOM 491 O ASP A 33 -16.185 -5.756 -22.509 1.00 10.00 O ATOM 492 CB ASP A 33 -14.209 -3.721 -23.680 1.00 10.00 C ATOM 493 CG ASP A 33 -13.417 -5.042 -23.713 1.00 10.00 C ATOM 494 OD1 ASP A 33 -13.480 -5.769 -24.735 1.00 10.00 O ATOM 495 OD2 ASP A 33 -12.678 -5.335 -22.743 1.00 10.00 O ATOM 0 H ASP A 33 -16.604 -2.042 -23.663 1.00 10.00 H new ATOM 0 HA ASP A 33 -15.868 -4.612 -24.808 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -13.782 -3.028 -24.405 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -14.100 -3.261 -22.698 1.00 10.00 H new ATOM 500 N GLY A 34 -17.258 -3.848 -22.041 1.00 10.00 N ATOM 501 CA GLY A 34 -18.007 -4.354 -20.878 1.00 10.00 C ATOM 502 C GLY A 34 -17.191 -4.615 -19.599 1.00 10.00 C ATOM 503 O GLY A 34 -17.778 -4.962 -18.572 1.00 10.00 O ATOM 0 H GLY A 34 -17.454 -2.868 -22.243 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -18.794 -3.638 -20.641 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -18.498 -5.284 -21.166 1.00 10.00 H new ATOM 507 N GLU A 35 -15.865 -4.442 -19.625 1.00 10.00 N ATOM 508 CA GLU A 35 -14.972 -4.644 -18.472 1.00 10.00 C ATOM 509 C GLU A 35 -13.708 -3.766 -18.521 1.00 10.00 C ATOM 510 O GLU A 35 -13.347 -3.213 -19.563 1.00 10.00 O ATOM 511 CB GLU A 35 -14.593 -6.134 -18.319 1.00 10.00 C ATOM 512 CG GLU A 35 -13.853 -6.723 -19.529 1.00 10.00 C ATOM 513 CD GLU A 35 -13.520 -8.211 -19.310 1.00 10.00 C ATOM 514 OE1 GLU A 35 -12.444 -8.520 -18.743 1.00 10.00 O ATOM 515 OE2 GLU A 35 -14.322 -9.088 -19.719 1.00 10.00 O ATOM 0 H GLU A 35 -15.368 -4.151 -20.467 1.00 10.00 H new ATOM 0 HA GLU A 35 -15.536 -4.329 -17.594 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -13.968 -6.249 -17.434 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -15.501 -6.712 -18.146 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -14.467 -6.613 -20.423 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -12.934 -6.164 -19.703 1.00 10.00 H new ATOM 522 N ILE A 36 -13.045 -3.636 -17.368 1.00 10.00 N ATOM 523 CA ILE A 36 -11.840 -2.836 -17.121 1.00 10.00 C ATOM 524 C ILE A 36 -10.880 -3.646 -16.234 1.00 10.00 C ATOM 525 O ILE A 36 -11.298 -4.229 -15.233 1.00 10.00 O ATOM 526 CB ILE A 36 -12.223 -1.512 -16.403 1.00 10.00 C ATOM 527 CG1 ILE A 36 -13.303 -0.713 -17.171 1.00 10.00 C ATOM 528 CG2 ILE A 36 -10.980 -0.625 -16.180 1.00 10.00 C ATOM 529 CD1 ILE A 36 -13.886 0.464 -16.388 1.00 10.00 C ATOM 0 H ILE A 36 -13.356 -4.119 -16.525 1.00 10.00 H new ATOM 0 HA ILE A 36 -11.357 -2.596 -18.069 1.00 10.00 H new ATOM 0 HB ILE A 36 -12.643 -1.796 -15.438 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -12.871 -0.339 -18.099 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -14.113 -1.389 -17.446 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -11.275 0.295 -15.676 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -10.257 -1.160 -15.564 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -10.528 -0.383 -17.142 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -14.635 0.971 -16.997 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -14.350 0.098 -15.472 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -13.089 1.164 -16.136 1.00 10.00 H new ATOM 541 N ASP A 37 -9.587 -3.645 -16.561 1.00 10.00 N ATOM 542 CA ASP A 37 -8.530 -4.277 -15.756 1.00 10.00 C ATOM 543 C ASP A 37 -7.742 -3.180 -15.021 1.00 10.00 C ATOM 544 O ASP A 37 -7.356 -2.168 -15.615 1.00 10.00 O ATOM 545 CB ASP A 37 -7.616 -5.139 -16.637 1.00 10.00 C ATOM 546 CG ASP A 37 -6.621 -5.953 -15.787 1.00 10.00 C ATOM 547 OD1 ASP A 37 -5.502 -5.458 -15.510 1.00 10.00 O ATOM 548 OD2 ASP A 37 -6.953 -7.099 -15.405 1.00 10.00 O ATOM 0 H ASP A 37 -9.234 -3.198 -17.407 1.00 10.00 H new ATOM 0 HA ASP A 37 -8.977 -4.943 -15.018 1.00 10.00 H new ATOM 0 HB2 ASP A 37 -8.222 -5.816 -17.239 1.00 10.00 H new ATOM 0 HB3 ASP A 37 -7.068 -4.500 -17.330 1.00 10.00 H new ATOM 553 N MET A 38 -7.528 -3.377 -13.721 1.00 10.00 N ATOM 554 CA MET A 38 -6.866 -2.441 -12.809 1.00 10.00 C ATOM 555 C MET A 38 -5.789 -3.157 -11.989 1.00 10.00 C ATOM 556 O MET A 38 -5.871 -4.365 -11.756 1.00 10.00 O ATOM 557 CB MET A 38 -7.907 -1.827 -11.861 1.00 10.00 C ATOM 558 CG MET A 38 -8.939 -0.927 -12.548 1.00 10.00 C ATOM 559 SD MET A 38 -8.322 0.637 -13.244 1.00 10.00 S ATOM 560 CE MET A 38 -7.689 1.466 -11.757 1.00 10.00 C ATOM 0 H MET A 38 -7.825 -4.233 -13.252 1.00 10.00 H new ATOM 0 HA MET A 38 -6.392 -1.656 -13.398 1.00 10.00 H new ATOM 0 HB2 MET A 38 -8.431 -2.632 -11.347 1.00 10.00 H new ATOM 0 HB3 MET A 38 -7.388 -1.247 -11.098 1.00 10.00 H new ATOM 0 HG2 MET A 38 -9.406 -1.496 -13.351 1.00 10.00 H new ATOM 0 HG3 MET A 38 -9.721 -0.693 -11.826 1.00 10.00 H new ATOM 0 HE1 MET A 38 -7.493 2.515 -11.981 1.00 10.00 H new ATOM 0 HE2 MET A 38 -8.429 1.397 -10.959 1.00 10.00 H new ATOM 0 HE3 MET A 38 -6.765 0.985 -11.438 1.00 10.00 H new ATOM 570 N HIS A 39 -4.779 -2.406 -11.545 1.00 10.00 N ATOM 571 CA HIS A 39 -3.677 -2.925 -10.736 1.00 10.00 C ATOM 572 C HIS A 39 -3.443 -2.105 -9.462 1.00 10.00 C ATOM 573 O HIS A 39 -3.547 -0.874 -9.465 1.00 10.00 O ATOM 574 CB HIS A 39 -2.406 -3.049 -11.588 1.00 10.00 C ATOM 575 CG HIS A 39 -1.915 -1.761 -12.206 1.00 10.00 C ATOM 576 ND1 HIS A 39 -2.132 -1.347 -13.502 1.00 10.00 N ATOM 577 CD2 HIS A 39 -1.139 -0.806 -11.603 1.00 10.00 C ATOM 578 CE1 HIS A 39 -1.506 -0.170 -13.677 1.00 10.00 C ATOM 579 NE2 HIS A 39 -0.885 0.203 -12.543 1.00 10.00 N ATOM 0 H HIS A 39 -4.704 -1.408 -11.740 1.00 10.00 H new ATOM 0 HA HIS A 39 -3.957 -3.922 -10.395 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -1.611 -3.461 -10.967 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -2.592 -3.768 -12.386 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -0.785 -0.827 -10.583 1.00 10.00 H new ATOM 0 HE1 HIS A 39 -1.502 0.396 -14.597 1.00 10.00 H new ATOM 0 HE2 HIS A 39 -0.338 1.051 -12.396 1.00 10.00 H new ATOM 587 N CYS A 40 -3.115 -2.801 -8.373 1.00 10.00 N ATOM 588 CA CYS A 40 -2.806 -2.245 -7.073 1.00 10.00 C ATOM 589 C CYS A 40 -1.533 -1.384 -7.133 1.00 10.00 C ATOM 590 O CYS A 40 -0.427 -1.920 -7.216 1.00 10.00 O ATOM 591 CB CYS A 40 -2.577 -3.415 -6.103 1.00 10.00 C ATOM 592 SG CYS A 40 -4.062 -4.388 -5.734 1.00 10.00 S ATOM 0 H CYS A 40 -3.057 -3.819 -8.384 1.00 10.00 H new ATOM 0 HA CYS A 40 -3.630 -1.613 -6.742 1.00 10.00 H new ATOM 0 HB2 CYS A 40 -1.820 -4.077 -6.524 1.00 10.00 H new ATOM 0 HB3 CYS A 40 -2.174 -3.023 -5.169 1.00 10.00 H new ATOM 597 N ASP A 41 -1.653 -0.059 -7.020 1.00 10.00 N ATOM 598 CA ASP A 41 -0.478 0.829 -6.906 1.00 10.00 C ATOM 599 C ASP A 41 0.331 0.505 -5.621 1.00 10.00 C ATOM 600 O ASP A 41 1.531 0.768 -5.517 1.00 10.00 O ATOM 601 CB ASP A 41 -0.964 2.285 -6.905 1.00 10.00 C ATOM 602 CG ASP A 41 0.201 3.290 -6.868 1.00 10.00 C ATOM 603 OD1 ASP A 41 0.940 3.397 -7.877 1.00 10.00 O ATOM 604 OD2 ASP A 41 0.362 3.999 -5.846 1.00 10.00 O ATOM 0 H ASP A 41 -2.549 0.429 -7.004 1.00 10.00 H new ATOM 0 HA ASP A 41 0.189 0.672 -7.754 1.00 10.00 H new ATOM 0 HB2 ASP A 41 -1.568 2.465 -7.795 1.00 10.00 H new ATOM 0 HB3 ASP A 41 -1.610 2.449 -6.043 1.00 10.00 H new ATOM 609 N TYR A 42 -0.363 -0.102 -4.655 1.00 10.00 N ATOM 610 CA TYR A 42 0.071 -0.556 -3.338 1.00 10.00 C ATOM 611 C TYR A 42 1.087 -1.715 -3.352 1.00 10.00 C ATOM 612 O TYR A 42 2.035 -1.705 -2.560 1.00 10.00 O ATOM 613 CB TYR A 42 -1.203 -1.029 -2.615 1.00 10.00 C ATOM 614 CG TYR A 42 -2.385 -0.073 -2.723 1.00 10.00 C ATOM 615 CD1 TYR A 42 -2.384 1.140 -2.006 1.00 10.00 C ATOM 616 CD2 TYR A 42 -3.438 -0.355 -3.621 1.00 10.00 C ATOM 617 CE1 TYR A 42 -3.420 2.075 -2.199 1.00 10.00 C ATOM 618 CE2 TYR A 42 -4.457 0.591 -3.839 1.00 10.00 C ATOM 619 CZ TYR A 42 -4.452 1.809 -3.125 1.00 10.00 C ATOM 620 OH TYR A 42 -5.442 2.723 -3.320 1.00 10.00 O ATOM 0 H TYR A 42 -1.352 -0.308 -4.796 1.00 10.00 H new ATOM 0 HA TYR A 42 0.586 0.271 -2.849 1.00 10.00 H new ATOM 0 HB2 TYR A 42 -1.497 -1.997 -3.021 1.00 10.00 H new ATOM 0 HB3 TYR A 42 -0.971 -1.182 -1.561 1.00 10.00 H new ATOM 0 HD1 TYR A 42 -1.588 1.353 -1.308 1.00 10.00 H new ATOM 0 HD2 TYR A 42 -3.461 -1.300 -4.143 1.00 10.00 H new ATOM 0 HE1 TYR A 42 -3.425 2.997 -1.637 1.00 10.00 H new ATOM 0 HE2 TYR A 42 -5.242 0.385 -4.552 1.00 10.00 H new ATOM 0 HH TYR A 42 -6.072 2.385 -3.991 1.00 10.00 H new ATOM 630 N CYS A 43 0.862 -2.726 -4.204 1.00 10.00 N ATOM 631 CA CYS A 43 1.643 -3.974 -4.259 1.00 10.00 C ATOM 632 C CYS A 43 1.939 -4.579 -5.654 1.00 10.00 C ATOM 633 O CYS A 43 2.812 -5.447 -5.761 1.00 10.00 O ATOM 634 CB CYS A 43 0.890 -5.004 -3.401 1.00 10.00 C ATOM 635 SG CYS A 43 -0.739 -5.368 -4.130 1.00 10.00 S ATOM 0 H CYS A 43 0.111 -2.699 -4.894 1.00 10.00 H new ATOM 0 HA CYS A 43 2.637 -3.718 -3.893 1.00 10.00 H new ATOM 0 HB2 CYS A 43 1.475 -5.921 -3.325 1.00 10.00 H new ATOM 0 HB3 CYS A 43 0.765 -4.621 -2.388 1.00 10.00 H new ATOM 640 N GLY A 44 1.255 -4.149 -6.718 1.00 10.00 N ATOM 641 CA GLY A 44 1.448 -4.638 -8.092 1.00 10.00 C ATOM 642 C GLY A 44 0.480 -5.742 -8.552 1.00 10.00 C ATOM 643 O GLY A 44 0.548 -6.151 -9.714 1.00 10.00 O ATOM 0 H GLY A 44 0.532 -3.433 -6.649 1.00 10.00 H new ATOM 0 HA2 GLY A 44 1.356 -3.793 -8.774 1.00 10.00 H new ATOM 0 HA3 GLY A 44 2.467 -5.013 -8.184 1.00 10.00 H new ATOM 647 N ASN A 45 -0.419 -6.231 -7.686 1.00 10.00 N ATOM 648 CA ASN A 45 -1.431 -7.241 -8.040 1.00 10.00 C ATOM 649 C ASN A 45 -2.465 -6.676 -9.052 1.00 10.00 C ATOM 650 O ASN A 45 -2.545 -5.462 -9.235 1.00 10.00 O ATOM 651 CB ASN A 45 -2.087 -7.735 -6.735 1.00 10.00 C ATOM 652 CG ASN A 45 -2.959 -8.972 -6.903 1.00 10.00 C ATOM 653 OD1 ASN A 45 -2.843 -9.731 -7.857 1.00 10.00 O ATOM 654 ND2 ASN A 45 -3.848 -9.226 -5.974 1.00 10.00 N ATOM 0 H ASN A 45 -0.466 -5.935 -6.711 1.00 10.00 H new ATOM 0 HA ASN A 45 -0.963 -8.086 -8.544 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -1.304 -7.952 -6.008 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.694 -6.930 -6.320 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -4.440 -10.053 -6.047 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -3.948 -8.596 -5.178 1.00 10.00 H new ATOM 661 N HIS A 46 -3.271 -7.524 -9.699 1.00 10.00 N ATOM 662 CA HIS A 46 -4.288 -7.145 -10.689 1.00 10.00 C ATOM 663 C HIS A 46 -5.689 -7.672 -10.322 1.00 10.00 C ATOM 664 O HIS A 46 -5.823 -8.712 -9.670 1.00 10.00 O ATOM 665 CB HIS A 46 -3.874 -7.703 -12.059 1.00 10.00 C ATOM 666 CG HIS A 46 -2.901 -6.846 -12.833 1.00 10.00 C ATOM 667 ND1 HIS A 46 -3.184 -6.112 -13.967 1.00 10.00 N ATOM 668 CD2 HIS A 46 -1.556 -6.725 -12.602 1.00 10.00 C ATOM 669 CE1 HIS A 46 -2.039 -5.571 -14.412 1.00 10.00 C ATOM 670 NE2 HIS A 46 -1.013 -5.914 -13.610 1.00 10.00 N ATOM 0 H HIS A 46 -3.233 -8.531 -9.543 1.00 10.00 H new ATOM 0 HA HIS A 46 -4.348 -6.057 -10.712 1.00 10.00 H new ATOM 0 HB2 HIS A 46 -3.430 -8.688 -11.914 1.00 10.00 H new ATOM 0 HB3 HIS A 46 -4.771 -7.843 -12.663 1.00 10.00 H new ATOM 0 HD1 HIS A 46 -4.104 -6.000 -14.393 1.00 10.00 H new ATOM 0 HD2 HIS A 46 -1.009 -7.175 -11.787 1.00 10.00 H new ATOM 0 HE1 HIS A 46 -1.953 -4.948 -15.290 1.00 10.00 H new ATOM 678 N TYR A 47 -6.733 -6.982 -10.796 1.00 10.00 N ATOM 679 CA TYR A 47 -8.143 -7.315 -10.616 1.00 10.00 C ATOM 680 C TYR A 47 -8.928 -6.779 -11.818 1.00 10.00 C ATOM 681 O TYR A 47 -8.591 -5.729 -12.373 1.00 10.00 O ATOM 682 CB TYR A 47 -8.690 -6.658 -9.336 1.00 10.00 C ATOM 683 CG TYR A 47 -8.242 -7.290 -8.031 1.00 10.00 C ATOM 684 CD1 TYR A 47 -8.825 -8.499 -7.601 1.00 10.00 C ATOM 685 CD2 TYR A 47 -7.256 -6.667 -7.239 1.00 10.00 C ATOM 686 CE1 TYR A 47 -8.434 -9.078 -6.378 1.00 10.00 C ATOM 687 CE2 TYR A 47 -6.861 -7.244 -6.018 1.00 10.00 C ATOM 688 CZ TYR A 47 -7.451 -8.449 -5.582 1.00 10.00 C ATOM 689 OH TYR A 47 -7.072 -9.001 -4.397 1.00 10.00 O ATOM 0 H TYR A 47 -6.605 -6.131 -11.344 1.00 10.00 H new ATOM 0 HA TYR A 47 -8.249 -8.397 -10.534 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.393 -5.609 -9.332 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -9.779 -6.680 -9.375 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -9.574 -8.983 -8.211 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.803 -5.744 -7.570 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.885 -10.002 -6.049 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.105 -6.764 -5.414 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.236 -8.587 -4.096 1.00 10.00 H new ATOM 699 N LEU A 48 -10.002 -7.476 -12.195 1.00 10.00 N ATOM 700 CA LEU A 48 -10.878 -7.079 -13.299 1.00 10.00 C ATOM 701 C LEU A 48 -12.274 -6.718 -12.777 1.00 10.00 C ATOM 702 O LEU A 48 -12.772 -7.339 -11.832 1.00 10.00 O ATOM 703 CB LEU A 48 -10.856 -8.135 -14.423 1.00 10.00 C ATOM 704 CG LEU A 48 -11.581 -9.468 -14.130 1.00 10.00 C ATOM 705 CD1 LEU A 48 -13.062 -9.434 -14.525 1.00 10.00 C ATOM 706 CD2 LEU A 48 -10.933 -10.602 -14.927 1.00 10.00 C ATOM 0 H LEU A 48 -10.291 -8.341 -11.738 1.00 10.00 H new ATOM 0 HA LEU A 48 -10.501 -6.167 -13.762 1.00 10.00 H new ATOM 0 HB2 LEU A 48 -11.301 -7.693 -15.315 1.00 10.00 H new ATOM 0 HB3 LEU A 48 -9.816 -8.357 -14.662 1.00 10.00 H new ATOM 0 HG LEU A 48 -11.500 -9.627 -13.055 1.00 10.00 H new ATOM 0 HD11 LEU A 48 -13.521 -10.396 -14.297 1.00 10.00 H new ATOM 0 HD12 LEU A 48 -13.570 -8.648 -13.966 1.00 10.00 H new ATOM 0 HD13 LEU A 48 -13.149 -9.234 -15.593 1.00 10.00 H new ATOM 0 HD21 LEU A 48 -11.450 -11.538 -14.715 1.00 10.00 H new ATOM 0 HD22 LEU A 48 -11.002 -10.383 -15.993 1.00 10.00 H new ATOM 0 HD23 LEU A 48 -9.885 -10.694 -14.642 1.00 10.00 H new ATOM 718 N PHE A 49 -12.893 -5.702 -13.371 1.00 10.00 N ATOM 719 CA PHE A 49 -14.197 -5.160 -12.986 1.00 10.00 C ATOM 720 C PHE A 49 -15.105 -5.062 -14.216 1.00 10.00 C ATOM 721 O PHE A 49 -14.660 -4.683 -15.297 1.00 10.00 O ATOM 722 CB PHE A 49 -13.984 -3.788 -12.324 1.00 10.00 C ATOM 723 CG PHE A 49 -13.143 -3.826 -11.059 1.00 10.00 C ATOM 724 CD1 PHE A 49 -13.757 -4.055 -9.814 1.00 10.00 C ATOM 725 CD2 PHE A 49 -11.745 -3.657 -11.121 1.00 10.00 C ATOM 726 CE1 PHE A 49 -12.987 -4.113 -8.640 1.00 10.00 C ATOM 727 CE2 PHE A 49 -10.974 -3.723 -9.945 1.00 10.00 C ATOM 728 CZ PHE A 49 -11.594 -3.947 -8.704 1.00 10.00 C ATOM 0 H PHE A 49 -12.485 -5.212 -14.167 1.00 10.00 H new ATOM 0 HA PHE A 49 -14.689 -5.819 -12.271 1.00 10.00 H new ATOM 0 HB2 PHE A 49 -13.508 -3.121 -13.043 1.00 10.00 H new ATOM 0 HB3 PHE A 49 -14.957 -3.358 -12.086 1.00 10.00 H new ATOM 0 HD1 PHE A 49 -14.828 -4.187 -9.760 1.00 10.00 H new ATOM 0 HD2 PHE A 49 -11.265 -3.477 -12.071 1.00 10.00 H new ATOM 0 HE1 PHE A 49 -13.467 -4.285 -7.688 1.00 10.00 H new ATOM 0 HE2 PHE A 49 -9.902 -3.601 -9.997 1.00 10.00 H new ATOM 0 HZ PHE A 49 -11.001 -3.991 -7.802 1.00 10.00 H new ATOM 738 N ASN A 50 -16.375 -5.423 -14.059 1.00 10.00 N ATOM 739 CA ASN A 50 -17.384 -5.475 -15.120 1.00 10.00 C ATOM 740 C ASN A 50 -18.393 -4.321 -14.987 1.00 10.00 C ATOM 741 O ASN A 50 -18.385 -3.598 -13.990 1.00 10.00 O ATOM 742 CB ASN A 50 -18.107 -6.834 -15.013 1.00 10.00 C ATOM 743 CG ASN A 50 -17.172 -8.035 -14.967 1.00 10.00 C ATOM 744 OD1 ASN A 50 -16.800 -8.606 -15.982 1.00 10.00 O ATOM 745 ND2 ASN A 50 -16.767 -8.452 -13.787 1.00 10.00 N ATOM 0 H ASN A 50 -16.748 -5.700 -13.151 1.00 10.00 H new ATOM 0 HA ASN A 50 -16.903 -5.370 -16.092 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -18.726 -6.834 -14.116 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -18.780 -6.943 -15.864 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -16.141 -9.254 -13.717 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -17.079 -7.973 -12.942 1.00 10.00 H new ATOM 752 N ALA A 51 -19.316 -4.167 -15.941 1.00 10.00 N ATOM 753 CA ALA A 51 -20.356 -3.133 -15.863 1.00 10.00 C ATOM 754 C ALA A 51 -21.170 -3.229 -14.551 1.00 10.00 C ATOM 755 O ALA A 51 -21.481 -2.208 -13.936 1.00 10.00 O ATOM 756 CB ALA A 51 -21.248 -3.237 -17.106 1.00 10.00 C ATOM 0 H ALA A 51 -19.365 -4.746 -16.779 1.00 10.00 H new ATOM 0 HA ALA A 51 -19.885 -2.150 -15.845 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -22.025 -2.474 -17.061 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -20.644 -3.087 -18.001 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -21.710 -4.224 -17.141 1.00 10.00 H new ATOM 762 N MET A 52 -21.445 -4.455 -14.079 1.00 10.00 N ATOM 763 CA MET A 52 -22.108 -4.713 -12.792 1.00 10.00 C ATOM 764 C MET A 52 -21.262 -4.255 -11.586 1.00 10.00 C ATOM 765 O MET A 52 -21.812 -3.719 -10.625 1.00 10.00 O ATOM 766 CB MET A 52 -22.535 -6.187 -12.672 1.00 10.00 C ATOM 767 CG MET A 52 -21.387 -7.204 -12.756 1.00 10.00 C ATOM 768 SD MET A 52 -21.871 -8.936 -12.496 1.00 10.00 S ATOM 769 CE MET A 52 -22.818 -9.261 -14.010 1.00 10.00 C ATOM 0 H MET A 52 -21.209 -5.307 -14.588 1.00 10.00 H new ATOM 0 HA MET A 52 -23.012 -4.105 -12.773 1.00 10.00 H new ATOM 0 HB2 MET A 52 -23.053 -6.324 -11.723 1.00 10.00 H new ATOM 0 HB3 MET A 52 -23.254 -6.407 -13.461 1.00 10.00 H new ATOM 0 HG2 MET A 52 -20.917 -7.118 -13.735 1.00 10.00 H new ATOM 0 HG3 MET A 52 -20.632 -6.939 -12.016 1.00 10.00 H new ATOM 0 HE1 MET A 52 -23.107 -10.312 -14.040 1.00 10.00 H new ATOM 0 HE2 MET A 52 -23.712 -8.638 -14.021 1.00 10.00 H new ATOM 0 HE3 MET A 52 -22.204 -9.029 -14.880 1.00 10.00 H new ATOM 779 N ASP A 53 -19.932 -4.409 -11.629 1.00 10.00 N ATOM 780 CA ASP A 53 -19.038 -3.940 -10.565 1.00 10.00 C ATOM 781 C ASP A 53 -19.057 -2.406 -10.484 1.00 10.00 C ATOM 782 O ASP A 53 -19.238 -1.850 -9.402 1.00 10.00 O ATOM 783 CB ASP A 53 -17.600 -4.412 -10.807 1.00 10.00 C ATOM 784 CG ASP A 53 -17.402 -5.922 -10.644 1.00 10.00 C ATOM 785 OD1 ASP A 53 -17.177 -6.385 -9.501 1.00 10.00 O ATOM 786 OD2 ASP A 53 -17.369 -6.630 -11.678 1.00 10.00 O ATOM 0 H ASP A 53 -19.447 -4.862 -12.403 1.00 10.00 H new ATOM 0 HA ASP A 53 -19.396 -4.360 -9.625 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -17.299 -4.123 -11.814 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -16.937 -3.893 -10.115 1.00 10.00 H new ATOM 791 N ILE A 54 -18.924 -1.708 -11.622 1.00 10.00 N ATOM 792 CA ILE A 54 -18.991 -0.242 -11.687 1.00 10.00 C ATOM 793 C ILE A 54 -20.356 0.255 -11.181 1.00 10.00 C ATOM 794 O ILE A 54 -20.414 1.239 -10.440 1.00 10.00 O ATOM 795 CB ILE A 54 -18.658 0.225 -13.121 1.00 10.00 C ATOM 796 CG1 ILE A 54 -17.133 0.266 -13.365 1.00 10.00 C ATOM 797 CG2 ILE A 54 -19.209 1.632 -13.422 1.00 10.00 C ATOM 798 CD1 ILE A 54 -16.377 -1.065 -13.340 1.00 10.00 C ATOM 0 H ILE A 54 -18.766 -2.149 -12.528 1.00 10.00 H new ATOM 0 HA ILE A 54 -18.246 0.201 -11.026 1.00 10.00 H new ATOM 0 HB ILE A 54 -19.131 -0.504 -13.779 1.00 10.00 H new ATOM 0 HG12 ILE A 54 -16.960 0.733 -14.335 1.00 10.00 H new ATOM 0 HG13 ILE A 54 -16.690 0.919 -12.613 1.00 10.00 H new ATOM 0 HG21 ILE A 54 -18.948 1.914 -14.442 1.00 10.00 H new ATOM 0 HG22 ILE A 54 -20.293 1.629 -13.312 1.00 10.00 H new ATOM 0 HG23 ILE A 54 -18.775 2.349 -12.725 1.00 10.00 H new ATOM 0 HD11 ILE A 54 -15.318 -0.886 -13.526 1.00 10.00 H new ATOM 0 HD12 ILE A 54 -16.500 -1.535 -12.364 1.00 10.00 H new ATOM 0 HD13 ILE A 54 -16.774 -1.724 -14.112 1.00 10.00 H new ATOM 810 N ALA A 55 -21.446 -0.438 -11.530 1.00 10.00 N ATOM 811 CA ALA A 55 -22.794 -0.120 -11.055 1.00 10.00 C ATOM 812 C ALA A 55 -22.898 -0.196 -9.515 1.00 10.00 C ATOM 813 O ALA A 55 -23.549 0.648 -8.898 1.00 10.00 O ATOM 814 CB ALA A 55 -23.807 -1.040 -11.746 1.00 10.00 C ATOM 0 H ALA A 55 -21.415 -1.243 -12.156 1.00 10.00 H new ATOM 0 HA ALA A 55 -23.023 0.912 -11.319 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -24.811 -0.805 -11.394 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -23.757 -0.891 -12.825 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -23.574 -2.079 -11.512 1.00 10.00 H new ATOM 820 N GLU A 56 -22.226 -1.156 -8.870 1.00 10.00 N ATOM 821 CA GLU A 56 -22.172 -1.240 -7.404 1.00 10.00 C ATOM 822 C GLU A 56 -21.260 -0.152 -6.814 1.00 10.00 C ATOM 823 O GLU A 56 -21.616 0.464 -5.809 1.00 10.00 O ATOM 824 CB GLU A 56 -21.696 -2.630 -6.947 1.00 10.00 C ATOM 825 CG GLU A 56 -22.768 -3.709 -7.144 1.00 10.00 C ATOM 826 CD GLU A 56 -22.295 -5.065 -6.583 1.00 10.00 C ATOM 827 OE1 GLU A 56 -22.406 -5.287 -5.352 1.00 10.00 O ATOM 828 OE2 GLU A 56 -21.820 -5.926 -7.363 1.00 10.00 O ATOM 0 H GLU A 56 -21.706 -1.894 -9.345 1.00 10.00 H new ATOM 0 HA GLU A 56 -23.184 -1.078 -7.033 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -20.800 -2.906 -7.504 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -21.416 -2.587 -5.894 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -23.689 -3.407 -6.646 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -22.997 -3.810 -8.205 1.00 10.00 H new ATOM 835 N ILE A 57 -20.105 0.119 -7.439 1.00 10.00 N ATOM 836 CA ILE A 57 -19.145 1.141 -6.990 1.00 10.00 C ATOM 837 C ILE A 57 -19.780 2.541 -6.979 1.00 10.00 C ATOM 838 O ILE A 57 -19.636 3.257 -5.987 1.00 10.00 O ATOM 839 CB ILE A 57 -17.868 1.079 -7.869 1.00 10.00 C ATOM 840 CG1 ILE A 57 -17.057 -0.198 -7.539 1.00 10.00 C ATOM 841 CG2 ILE A 57 -16.965 2.318 -7.696 1.00 10.00 C ATOM 842 CD1 ILE A 57 -16.017 -0.569 -8.607 1.00 10.00 C ATOM 0 H ILE A 57 -19.806 -0.371 -8.282 1.00 10.00 H new ATOM 0 HA ILE A 57 -18.857 0.931 -5.960 1.00 10.00 H new ATOM 0 HB ILE A 57 -18.201 1.058 -8.907 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -16.549 -0.057 -6.585 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -17.747 -1.032 -7.413 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -16.087 2.220 -8.334 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -17.519 3.214 -7.976 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -16.650 2.396 -6.655 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -15.491 -1.474 -8.303 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -16.519 -0.743 -9.559 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -15.302 0.247 -8.718 1.00 10.00 H new ATOM 854 N ARG A 58 -20.542 2.936 -8.012 1.00 10.00 N ATOM 855 CA ARG A 58 -21.213 4.256 -8.043 1.00 10.00 C ATOM 856 C ARG A 58 -22.301 4.407 -6.976 1.00 10.00 C ATOM 857 O ARG A 58 -22.493 5.497 -6.443 1.00 10.00 O ATOM 858 CB ARG A 58 -21.722 4.599 -9.452 1.00 10.00 C ATOM 859 CG ARG A 58 -22.885 3.740 -9.974 1.00 10.00 C ATOM 860 CD ARG A 58 -23.410 4.206 -11.341 1.00 10.00 C ATOM 861 NE ARG A 58 -22.373 4.155 -12.395 1.00 10.00 N ATOM 862 CZ ARG A 58 -21.661 5.168 -12.861 1.00 10.00 C ATOM 863 NH1 ARG A 58 -21.806 6.394 -12.456 1.00 10.00 N ATOM 864 NH2 ARG A 58 -20.747 5.000 -13.767 1.00 10.00 N ATOM 0 H ARG A 58 -20.712 2.364 -8.839 1.00 10.00 H new ATOM 0 HA ARG A 58 -20.452 4.992 -7.786 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -22.035 5.643 -9.460 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -20.889 4.511 -10.150 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -22.557 2.703 -10.051 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -23.700 3.764 -9.251 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -24.253 3.581 -11.635 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -23.785 5.226 -11.254 1.00 10.00 H new ATOM 0 HE ARG A 58 -22.187 3.240 -12.807 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -22.499 6.616 -11.741 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -21.227 7.134 -12.853 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -20.562 4.068 -14.138 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -20.213 5.800 -14.108 1.00 10.00 H new ATOM 878 N ASN A 59 -22.961 3.301 -6.626 1.00 10.00 N ATOM 879 CA ASN A 59 -23.974 3.233 -5.562 1.00 10.00 C ATOM 880 C ASN A 59 -23.366 3.095 -4.143 1.00 10.00 C ATOM 881 O ASN A 59 -24.103 3.011 -3.158 1.00 10.00 O ATOM 882 CB ASN A 59 -24.977 2.111 -5.895 1.00 10.00 C ATOM 883 CG ASN A 59 -25.989 2.550 -6.941 1.00 10.00 C ATOM 884 OD1 ASN A 59 -26.912 3.306 -6.665 1.00 10.00 O ATOM 885 ND2 ASN A 59 -25.857 2.112 -8.171 1.00 10.00 N ATOM 0 H ASN A 59 -22.804 2.403 -7.084 1.00 10.00 H new ATOM 0 HA ASN A 59 -24.505 4.184 -5.532 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -24.437 1.236 -6.257 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -25.500 1.810 -4.987 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -26.521 2.402 -8.889 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -25.091 1.482 -8.409 1.00 10.00 H new ATOM 892 N ASN A 60 -22.032 3.090 -4.031 1.00 10.00 N ATOM 893 CA ASN A 60 -21.274 2.994 -2.776 1.00 10.00 C ATOM 894 C ASN A 60 -20.345 4.211 -2.557 1.00 10.00 C ATOM 895 O ASN A 60 -20.061 4.577 -1.416 1.00 10.00 O ATOM 896 CB ASN A 60 -20.506 1.661 -2.784 1.00 10.00 C ATOM 897 CG ASN A 60 -19.823 1.373 -1.456 1.00 10.00 C ATOM 898 OD1 ASN A 60 -20.440 1.357 -0.400 1.00 10.00 O ATOM 899 ND2 ASN A 60 -18.531 1.125 -1.458 1.00 10.00 N ATOM 0 H ASN A 60 -21.424 3.156 -4.848 1.00 10.00 H new ATOM 0 HA ASN A 60 -21.962 3.011 -1.931 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -21.196 0.850 -3.017 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -19.758 1.681 -3.576 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -18.050 0.921 -0.582 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -18.011 1.137 -2.335 1.00 10.00 H new ATOM 906 N ALA A 61 -19.898 4.863 -3.638 1.00 10.00 N ATOM 907 CA ALA A 61 -19.066 6.072 -3.623 1.00 10.00 C ATOM 908 C ALA A 61 -19.809 7.347 -3.145 1.00 10.00 C ATOM 909 O ALA A 61 -19.174 8.385 -2.932 1.00 10.00 O ATOM 910 CB ALA A 61 -18.522 6.268 -5.045 1.00 10.00 C ATOM 0 H ALA A 61 -20.115 4.550 -4.584 1.00 10.00 H new ATOM 0 HA ALA A 61 -18.267 5.926 -2.896 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -17.896 7.160 -5.075 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -17.929 5.399 -5.331 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -19.354 6.384 -5.740 1.00 10.00 H new ATOM 916 N SER A 62 -21.142 7.273 -2.998 1.00 10.00 N ATOM 917 CA SER A 62 -22.071 8.341 -2.576 1.00 10.00 C ATOM 918 C SER A 62 -21.620 9.136 -1.340 1.00 10.00 C ATOM 919 O SER A 62 -21.592 10.385 -1.420 1.00 10.00 O ATOM 920 CB SER A 62 -23.457 7.738 -2.321 1.00 10.00 C ATOM 921 OG SER A 62 -23.873 6.974 -3.446 1.00 10.00 O ATOM 0 H SER A 62 -21.638 6.401 -3.184 1.00 10.00 H new ATOM 0 HA SER A 62 -22.093 9.059 -3.396 1.00 10.00 H new ATOM 0 HB2 SER A 62 -23.429 7.106 -1.433 1.00 10.00 H new ATOM 0 HB3 SER A 62 -24.177 8.532 -2.125 1.00 10.00 H new ATOM 0 HG SER A 62 -24.759 6.592 -3.272 1.00 10.00 H new TER 927 SER A 62 HETATM 928 ZN ZN A 63 -3.016 -5.244 -3.868 1.00 10.00 ZN