USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 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 19 LYS NZ :NH3+ 179:sc= 1.66 (180deg=0.635) USER MOD Set 1.2: A 62 SER OG : rot 134:sc= 0.94 USER MOD Set 2.1: A 14 CYS SG : rot -88:sc= 0.114 USER MOD Set 2.2: A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.942 (180deg=0.422) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.14) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 44:sc= 1.13 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 80:sc= 1.26 USER MOD Single : A 39 HIS : no HE2:sc= 0.204 K(o=0.2,f=-2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 46 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.387 K(o=0.39,f=-5.6!) USER MOD Single : A 52 MET CE :methyl 147:sc= -0.0562 (180deg=-0.261) USER MOD Single : A 59 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.913 -39.518 29.570 1.00 10.00 N ATOM 2 CA MET A 1 -15.530 -38.306 30.341 1.00 10.00 C ATOM 3 C MET A 1 -15.345 -37.126 29.387 1.00 10.00 C ATOM 4 O MET A 1 -14.759 -37.286 28.315 1.00 10.00 O ATOM 5 CB MET A 1 -14.252 -38.510 31.184 1.00 10.00 C ATOM 6 CG MET A 1 -14.426 -39.497 32.351 1.00 10.00 C ATOM 7 SD MET A 1 -14.573 -41.262 31.932 1.00 10.00 S ATOM 8 CE MET A 1 -12.871 -41.635 31.420 1.00 10.00 C ATOM 0 H1 MET A 1 -15.590 -40.367 30.075 1.00 10.00 H new ATOM 0 H2 MET A 1 -16.947 -39.550 29.465 1.00 10.00 H new ATOM 0 H3 MET A 1 -15.471 -39.485 28.629 1.00 10.00 H new ATOM 0 HA MET A 1 -16.340 -38.100 31.041 1.00 10.00 H new ATOM 0 HB2 MET A 1 -13.453 -38.868 30.534 1.00 10.00 H new ATOM 0 HB3 MET A 1 -13.932 -37.546 31.581 1.00 10.00 H new ATOM 0 HG2 MET A 1 -13.576 -39.379 33.023 1.00 10.00 H new ATOM 0 HG3 MET A 1 -15.316 -39.207 32.909 1.00 10.00 H new ATOM 0 HE1 MET A 1 -12.782 -42.699 31.200 1.00 10.00 H new ATOM 0 HE2 MET A 1 -12.625 -41.058 30.528 1.00 10.00 H new ATOM 0 HE3 MET A 1 -12.183 -41.372 32.224 1.00 10.00 H new ATOM 20 N ASP A 2 -15.844 -35.941 29.752 1.00 10.00 N ATOM 21 CA ASP A 2 -15.766 -34.712 28.940 1.00 10.00 C ATOM 22 C ASP A 2 -15.777 -33.436 29.817 1.00 10.00 C ATOM 23 O ASP A 2 -15.961 -33.514 31.037 1.00 10.00 O ATOM 24 CB ASP A 2 -16.943 -34.719 27.939 1.00 10.00 C ATOM 25 CG ASP A 2 -16.758 -33.770 26.743 1.00 10.00 C ATOM 26 OD1 ASP A 2 -15.628 -33.278 26.518 1.00 10.00 O ATOM 27 OD2 ASP A 2 -17.744 -33.524 26.008 1.00 10.00 O ATOM 0 H ASP A 2 -16.326 -35.801 30.640 1.00 10.00 H new ATOM 0 HA ASP A 2 -14.819 -34.696 28.400 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -17.082 -35.734 27.566 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -17.856 -34.446 28.467 1.00 10.00 H new ATOM 32 N VAL A 3 -15.598 -32.256 29.210 1.00 10.00 N ATOM 33 CA VAL A 3 -15.593 -30.940 29.882 1.00 10.00 C ATOM 34 C VAL A 3 -16.339 -29.884 29.053 1.00 10.00 C ATOM 35 O VAL A 3 -16.287 -29.883 27.823 1.00 10.00 O ATOM 36 CB VAL A 3 -14.146 -30.514 30.222 1.00 10.00 C ATOM 37 CG1 VAL A 3 -13.285 -30.190 28.993 1.00 10.00 C ATOM 38 CG2 VAL A 3 -14.105 -29.319 31.182 1.00 10.00 C ATOM 0 H VAL A 3 -15.447 -32.183 28.204 1.00 10.00 H new ATOM 0 HA VAL A 3 -16.136 -31.028 30.823 1.00 10.00 H new ATOM 0 HB VAL A 3 -13.718 -31.392 30.706 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -12.285 -29.900 29.316 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -13.219 -31.070 28.353 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -13.739 -29.370 28.437 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -13.068 -29.056 31.392 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -14.610 -28.468 30.725 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.608 -29.582 32.113 1.00 10.00 H new ATOM 48 N GLU A 4 -17.045 -28.973 29.727 1.00 10.00 N ATOM 49 CA GLU A 4 -17.870 -27.910 29.130 1.00 10.00 C ATOM 50 C GLU A 4 -17.138 -26.551 29.042 1.00 10.00 C ATOM 51 O GLU A 4 -17.742 -25.479 29.134 1.00 10.00 O ATOM 52 CB GLU A 4 -19.191 -27.828 29.919 1.00 10.00 C ATOM 53 CG GLU A 4 -20.030 -29.111 29.800 1.00 10.00 C ATOM 54 CD GLU A 4 -21.356 -28.980 30.573 1.00 10.00 C ATOM 55 OE1 GLU A 4 -22.369 -28.528 29.983 1.00 10.00 O ATOM 56 OE2 GLU A 4 -21.401 -29.337 31.777 1.00 10.00 O ATOM 0 H GLU A 4 -17.061 -28.952 30.747 1.00 10.00 H new ATOM 0 HA GLU A 4 -18.083 -28.163 28.092 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -18.971 -27.638 30.970 1.00 10.00 H new ATOM 0 HB3 GLU A 4 -19.775 -26.982 29.557 1.00 10.00 H new ATOM 0 HG2 GLU A 4 -20.237 -29.318 28.750 1.00 10.00 H new ATOM 0 HG3 GLU A 4 -19.462 -29.958 30.186 1.00 10.00 H new ATOM 63 N PHE A 5 -15.815 -26.599 28.862 1.00 10.00 N ATOM 64 CA PHE A 5 -14.915 -25.443 28.751 1.00 10.00 C ATOM 65 C PHE A 5 -13.846 -25.727 27.682 1.00 10.00 C ATOM 66 O PHE A 5 -12.835 -26.382 27.951 1.00 10.00 O ATOM 67 CB PHE A 5 -14.312 -25.121 30.130 1.00 10.00 C ATOM 68 CG PHE A 5 -13.634 -23.762 30.222 1.00 10.00 C ATOM 69 CD1 PHE A 5 -12.343 -23.558 29.692 1.00 10.00 C ATOM 70 CD2 PHE A 5 -14.296 -22.693 30.860 1.00 10.00 C ATOM 71 CE1 PHE A 5 -11.719 -22.303 29.809 1.00 10.00 C ATOM 72 CE2 PHE A 5 -13.672 -21.438 30.975 1.00 10.00 C ATOM 73 CZ PHE A 5 -12.382 -21.242 30.451 1.00 10.00 C ATOM 0 H PHE A 5 -15.317 -27.486 28.786 1.00 10.00 H new ATOM 0 HA PHE A 5 -15.465 -24.558 28.430 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -15.103 -25.169 30.878 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -13.586 -25.893 30.384 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -11.832 -24.369 29.194 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -15.288 -22.839 31.262 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -10.729 -22.154 29.405 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -14.184 -20.624 31.466 1.00 10.00 H new ATOM 0 HZ PHE A 5 -11.902 -20.279 30.541 1.00 10.00 H new ATOM 83 N LYS A 6 -14.101 -25.271 26.450 1.00 10.00 N ATOM 84 CA LYS A 6 -13.244 -25.457 25.267 1.00 10.00 C ATOM 85 C LYS A 6 -13.391 -24.282 24.296 1.00 10.00 C ATOM 86 O LYS A 6 -14.444 -23.641 24.247 1.00 10.00 O ATOM 87 CB LYS A 6 -13.656 -26.733 24.500 1.00 10.00 C ATOM 88 CG LYS A 6 -13.586 -28.043 25.298 1.00 10.00 C ATOM 89 CD LYS A 6 -14.034 -29.219 24.422 1.00 10.00 C ATOM 90 CE LYS A 6 -14.139 -30.484 25.275 1.00 10.00 C ATOM 91 NZ LYS A 6 -14.774 -31.595 24.527 1.00 10.00 N ATOM 0 H LYS A 6 -14.945 -24.739 26.238 1.00 10.00 H new ATOM 0 HA LYS A 6 -12.216 -25.530 25.623 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -14.676 -26.604 24.139 1.00 10.00 H new ATOM 0 HB3 LYS A 6 -13.017 -26.829 23.622 1.00 10.00 H new ATOM 0 HG2 LYS A 6 -12.568 -28.209 25.650 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -14.222 -27.974 26.181 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -14.997 -28.997 23.963 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -13.322 -29.373 23.611 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -13.144 -30.787 25.602 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -14.719 -30.271 26.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -15.014 -32.364 25.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -15.640 -31.252 24.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -14.114 -31.950 23.806 1.00 10.00 H new ATOM 105 N CYS A 7 -12.358 -24.067 23.483 1.00 10.00 N ATOM 106 CA CYS A 7 -12.341 -23.093 22.390 1.00 10.00 C ATOM 107 C CYS A 7 -13.489 -23.413 21.405 1.00 10.00 C ATOM 108 O CYS A 7 -13.511 -24.488 20.795 1.00 10.00 O ATOM 109 CB CYS A 7 -10.941 -23.128 21.763 1.00 10.00 C ATOM 110 SG CYS A 7 -10.764 -21.828 20.514 1.00 10.00 S ATOM 0 H CYS A 7 -11.482 -24.582 23.569 1.00 10.00 H new ATOM 0 HA CYS A 7 -12.521 -22.073 22.731 1.00 10.00 H new ATOM 0 HB2 CYS A 7 -10.187 -22.998 22.539 1.00 10.00 H new ATOM 0 HB3 CYS A 7 -10.766 -24.103 21.308 1.00 10.00 H new ATOM 115 N THR A 8 -14.479 -22.519 21.292 1.00 10.00 N ATOM 116 CA THR A 8 -15.690 -22.734 20.468 1.00 10.00 C ATOM 117 C THR A 8 -15.445 -22.685 18.954 1.00 10.00 C ATOM 118 O THR A 8 -16.322 -23.067 18.173 1.00 10.00 O ATOM 119 CB THR A 8 -16.825 -21.764 20.845 1.00 10.00 C ATOM 120 OG1 THR A 8 -16.465 -20.417 20.624 1.00 10.00 O ATOM 121 CG2 THR A 8 -17.221 -21.889 22.319 1.00 10.00 C ATOM 0 H THR A 8 -14.469 -21.618 21.770 1.00 10.00 H new ATOM 0 HA THR A 8 -15.994 -23.754 20.702 1.00 10.00 H new ATOM 0 HB THR A 8 -17.662 -22.041 20.204 1.00 10.00 H new ATOM 0 HG1 THR A 8 -17.212 -19.834 20.874 1.00 10.00 H new ATOM 0 HG21 THR A 8 -18.025 -21.187 22.541 1.00 10.00 H new ATOM 0 HG22 THR A 8 -17.561 -22.905 22.519 1.00 10.00 H new ATOM 0 HG23 THR A 8 -16.359 -21.665 22.948 1.00 10.00 H new ATOM 129 N CYS A 9 -14.256 -22.242 18.543 1.00 10.00 N ATOM 130 CA CYS A 9 -13.783 -22.124 17.169 1.00 10.00 C ATOM 131 C CYS A 9 -12.620 -23.109 16.942 1.00 10.00 C ATOM 132 O CYS A 9 -12.858 -24.250 16.538 1.00 10.00 O ATOM 133 CB CYS A 9 -13.460 -20.644 16.866 1.00 10.00 C ATOM 134 SG CYS A 9 -12.752 -19.773 18.302 1.00 10.00 S ATOM 0 H CYS A 9 -13.550 -21.935 19.212 1.00 10.00 H new ATOM 0 HA CYS A 9 -14.551 -22.410 16.450 1.00 10.00 H new ATOM 0 HB2 CYS A 9 -12.759 -20.592 16.033 1.00 10.00 H new ATOM 0 HB3 CYS A 9 -14.370 -20.135 16.549 1.00 10.00 H new ATOM 139 N SER A 10 -11.388 -22.684 17.228 1.00 10.00 N ATOM 140 CA SER A 10 -10.137 -23.467 17.143 1.00 10.00 C ATOM 141 C SER A 10 -8.917 -22.663 17.606 1.00 10.00 C ATOM 142 O SER A 10 -8.893 -21.436 17.487 1.00 10.00 O ATOM 143 CB SER A 10 -9.857 -23.923 15.696 1.00 10.00 C ATOM 144 OG SER A 10 -10.541 -25.124 15.392 1.00 10.00 O ATOM 0 H SER A 10 -11.218 -21.729 17.544 1.00 10.00 H new ATOM 0 HA SER A 10 -10.286 -24.326 17.798 1.00 10.00 H new ATOM 0 HB2 SER A 10 -10.164 -23.142 15.001 1.00 10.00 H new ATOM 0 HB3 SER A 10 -8.785 -24.068 15.559 1.00 10.00 H new ATOM 0 HG SER A 10 -11.458 -25.074 15.735 1.00 10.00 H new ATOM 150 N ARG A 11 -7.849 -23.364 18.028 1.00 10.00 N ATOM 151 CA ARG A 11 -6.557 -22.764 18.437 1.00 10.00 C ATOM 152 C ARG A 11 -5.964 -21.868 17.355 1.00 10.00 C ATOM 153 O ARG A 11 -5.297 -20.885 17.653 1.00 10.00 O ATOM 154 CB ARG A 11 -5.555 -23.875 18.794 1.00 10.00 C ATOM 155 CG ARG A 11 -4.368 -23.321 19.604 1.00 10.00 C ATOM 156 CD ARG A 11 -3.437 -24.424 20.124 1.00 10.00 C ATOM 157 NE ARG A 11 -2.437 -24.837 19.115 1.00 10.00 N ATOM 158 CZ ARG A 11 -1.168 -24.457 19.060 1.00 10.00 C ATOM 159 NH1 ARG A 11 -0.657 -23.596 19.889 1.00 10.00 N ATOM 160 NH2 ARG A 11 -0.365 -24.944 18.161 1.00 10.00 N ATOM 0 H ARG A 11 -7.855 -24.382 18.097 1.00 10.00 H new ATOM 0 HA ARG A 11 -6.752 -22.140 19.309 1.00 10.00 H new ATOM 0 HB2 ARG A 11 -6.060 -24.651 19.369 1.00 10.00 H new ATOM 0 HB3 ARG A 11 -5.188 -24.343 17.881 1.00 10.00 H new ATOM 0 HG2 ARG A 11 -3.797 -22.634 18.979 1.00 10.00 H new ATOM 0 HG3 ARG A 11 -4.747 -22.744 20.448 1.00 10.00 H new ATOM 0 HD2 ARG A 11 -2.923 -24.071 21.018 1.00 10.00 H new ATOM 0 HD3 ARG A 11 -4.031 -25.289 20.418 1.00 10.00 H new ATOM 0 HE ARG A 11 -2.756 -25.478 18.389 1.00 10.00 H new ATOM 0 HH11 ARG A 11 -1.238 -23.184 20.619 1.00 10.00 H new ATOM 0 HH12 ARG A 11 0.325 -23.333 19.810 1.00 10.00 H new ATOM 0 HH21 ARG A 11 -0.709 -25.627 17.486 1.00 10.00 H new ATOM 0 HH22 ARG A 11 0.609 -24.643 18.130 1.00 10.00 H new ATOM 174 N GLU A 12 -6.251 -22.195 16.100 1.00 10.00 N ATOM 175 CA GLU A 12 -5.831 -21.447 14.909 1.00 10.00 C ATOM 176 C GLU A 12 -6.283 -19.970 14.955 1.00 10.00 C ATOM 177 O GLU A 12 -5.570 -19.092 14.471 1.00 10.00 O ATOM 178 CB GLU A 12 -6.415 -22.152 13.670 1.00 10.00 C ATOM 179 CG GLU A 12 -5.704 -21.804 12.356 1.00 10.00 C ATOM 180 CD GLU A 12 -4.336 -22.509 12.257 1.00 10.00 C ATOM 181 OE1 GLU A 12 -4.286 -23.670 11.779 1.00 10.00 O ATOM 182 OE2 GLU A 12 -3.311 -21.914 12.666 1.00 10.00 O ATOM 0 H GLU A 12 -6.804 -23.020 15.870 1.00 10.00 H new ATOM 0 HA GLU A 12 -4.742 -21.434 14.867 1.00 10.00 H new ATOM 0 HB2 GLU A 12 -6.366 -23.230 13.822 1.00 10.00 H new ATOM 0 HB3 GLU A 12 -7.469 -21.890 13.580 1.00 10.00 H new ATOM 0 HG2 GLU A 12 -6.329 -22.098 11.513 1.00 10.00 H new ATOM 0 HG3 GLU A 12 -5.565 -20.725 12.289 1.00 10.00 H new ATOM 189 N ARG A 13 -7.431 -19.665 15.585 1.00 10.00 N ATOM 190 CA ARG A 13 -7.926 -18.286 15.768 1.00 10.00 C ATOM 191 C ARG A 13 -7.056 -17.540 16.787 1.00 10.00 C ATOM 192 O ARG A 13 -6.621 -16.417 16.531 1.00 10.00 O ATOM 193 CB ARG A 13 -9.401 -18.291 16.205 1.00 10.00 C ATOM 194 CG ARG A 13 -10.405 -18.510 15.059 1.00 10.00 C ATOM 195 CD ARG A 13 -10.375 -19.925 14.463 1.00 10.00 C ATOM 196 NE ARG A 13 -11.390 -20.096 13.403 1.00 10.00 N ATOM 197 CZ ARG A 13 -11.251 -19.834 12.114 1.00 10.00 C ATOM 198 NH1 ARG A 13 -10.154 -19.334 11.616 1.00 10.00 N ATOM 199 NH2 ARG A 13 -12.227 -20.074 11.286 1.00 10.00 N ATOM 0 H ARG A 13 -8.047 -20.373 15.985 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.861 -17.764 14.813 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.543 -19.073 16.950 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.626 -17.342 16.692 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -11.410 -18.303 15.426 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -10.200 -17.789 14.267 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -9.385 -20.126 14.054 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -10.548 -20.656 15.253 1.00 10.00 H new ATOM 0 HE ARG A 13 -12.298 -20.456 13.698 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -9.363 -19.131 12.227 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -10.087 -19.146 10.616 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -13.103 -20.466 11.631 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -12.115 -19.870 10.293 1.00 10.00 H new ATOM 213 N CYS A 14 -6.744 -18.189 17.910 1.00 10.00 N ATOM 214 CA CYS A 14 -5.825 -17.665 18.928 1.00 10.00 C ATOM 215 C CYS A 14 -4.409 -17.459 18.341 1.00 10.00 C ATOM 216 O CYS A 14 -3.770 -16.430 18.570 1.00 10.00 O ATOM 217 CB CYS A 14 -5.821 -18.640 20.114 1.00 10.00 C ATOM 218 SG CYS A 14 -5.002 -17.886 21.548 1.00 10.00 S ATOM 0 H CYS A 14 -7.126 -19.105 18.143 1.00 10.00 H new ATOM 0 HA CYS A 14 -6.158 -16.685 19.271 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -6.844 -18.912 20.373 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -5.307 -19.560 19.835 1.00 10.00 H new ATOM 0 HG CYS A 14 -3.725 -18.120 21.491 1.00 10.00 H new ATOM 224 N ALA A 15 -3.940 -18.414 17.531 1.00 10.00 N ATOM 225 CA ALA A 15 -2.658 -18.354 16.828 1.00 10.00 C ATOM 226 C ALA A 15 -2.606 -17.178 15.832 1.00 10.00 C ATOM 227 O ALA A 15 -1.616 -16.449 15.797 1.00 10.00 O ATOM 228 CB ALA A 15 -2.418 -19.692 16.120 1.00 10.00 C ATOM 0 H ALA A 15 -4.457 -19.273 17.342 1.00 10.00 H new ATOM 0 HA ALA A 15 -1.864 -18.179 17.554 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -1.465 -19.659 15.592 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -2.397 -20.495 16.857 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -3.221 -19.875 15.406 1.00 10.00 H new ATOM 234 N ASP A 16 -3.667 -16.946 15.049 1.00 10.00 N ATOM 235 CA ASP A 16 -3.754 -15.811 14.119 1.00 10.00 C ATOM 236 C ASP A 16 -3.665 -14.466 14.865 1.00 10.00 C ATOM 237 O ASP A 16 -2.951 -13.560 14.433 1.00 10.00 O ATOM 238 CB ASP A 16 -5.055 -15.908 13.312 1.00 10.00 C ATOM 239 CG ASP A 16 -5.164 -14.782 12.270 1.00 10.00 C ATOM 240 OD1 ASP A 16 -4.442 -14.835 11.246 1.00 10.00 O ATOM 241 OD2 ASP A 16 -5.987 -13.855 12.462 1.00 10.00 O ATOM 0 H ASP A 16 -4.494 -17.543 15.042 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.907 -15.855 13.434 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -5.100 -16.874 12.810 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -5.908 -15.861 13.989 1.00 10.00 H new ATOM 246 N ALA A 17 -4.335 -14.360 16.020 1.00 10.00 N ATOM 247 CA ALA A 17 -4.287 -13.187 16.896 1.00 10.00 C ATOM 248 C ALA A 17 -2.860 -12.886 17.410 1.00 10.00 C ATOM 249 O ALA A 17 -2.503 -11.721 17.589 1.00 10.00 O ATOM 250 CB ALA A 17 -5.288 -13.367 18.043 1.00 10.00 C ATOM 0 H ALA A 17 -4.936 -15.103 16.377 1.00 10.00 H new ATOM 0 HA ALA A 17 -4.574 -12.312 16.312 1.00 10.00 H new ATOM 0 HB1 ALA A 17 -5.254 -12.495 18.696 1.00 10.00 H new ATOM 0 HB2 ALA A 17 -6.293 -13.476 17.635 1.00 10.00 H new ATOM 0 HB3 ALA A 17 -5.030 -14.259 18.614 1.00 10.00 H new ATOM 256 N LEU A 18 -2.032 -13.915 17.640 1.00 10.00 N ATOM 257 CA LEU A 18 -0.640 -13.797 18.047 1.00 10.00 C ATOM 258 C LEU A 18 0.236 -13.386 16.845 1.00 10.00 C ATOM 259 O LEU A 18 1.076 -12.494 16.966 1.00 10.00 O ATOM 260 CB LEU A 18 -0.259 -15.169 18.635 1.00 10.00 C ATOM 261 CG LEU A 18 1.236 -15.412 18.830 1.00 10.00 C ATOM 262 CD1 LEU A 18 1.915 -14.400 19.756 1.00 10.00 C ATOM 263 CD2 LEU A 18 1.460 -16.808 19.406 1.00 10.00 C ATOM 0 H LEU A 18 -2.332 -14.885 17.542 1.00 10.00 H new ATOM 0 HA LEU A 18 -0.484 -13.019 18.794 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.756 -15.282 19.599 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.653 -15.947 17.981 1.00 10.00 H new ATOM 0 HG LEU A 18 1.685 -15.303 17.843 1.00 10.00 H new ATOM 0 HD11 LEU A 18 2.975 -14.640 19.843 1.00 10.00 H new ATOM 0 HD12 LEU A 18 1.803 -13.397 19.343 1.00 10.00 H new ATOM 0 HD13 LEU A 18 1.451 -14.441 20.742 1.00 10.00 H new ATOM 0 HD21 LEU A 18 2.528 -16.978 19.544 1.00 10.00 H new ATOM 0 HD22 LEU A 18 0.952 -16.891 20.367 1.00 10.00 H new ATOM 0 HD23 LEU A 18 1.060 -17.554 18.719 1.00 10.00 H new ATOM 275 N LYS A 19 0.041 -14.020 15.679 1.00 10.00 N ATOM 276 CA LYS A 19 0.787 -13.794 14.433 1.00 10.00 C ATOM 277 C LYS A 19 0.834 -12.335 13.956 1.00 10.00 C ATOM 278 O LYS A 19 1.828 -11.927 13.355 1.00 10.00 O ATOM 279 CB LYS A 19 0.184 -14.729 13.366 1.00 10.00 C ATOM 280 CG LYS A 19 1.216 -15.337 12.413 1.00 10.00 C ATOM 281 CD LYS A 19 1.375 -14.573 11.094 1.00 10.00 C ATOM 282 CE LYS A 19 2.461 -15.246 10.248 1.00 10.00 C ATOM 283 NZ LYS A 19 2.482 -14.719 8.862 1.00 10.00 N ATOM 0 H LYS A 19 -0.676 -14.738 15.575 1.00 10.00 H new ATOM 0 HA LYS A 19 1.836 -14.023 14.620 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.352 -15.535 13.866 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -0.549 -14.172 12.783 1.00 10.00 H new ATOM 0 HG2 LYS A 19 2.182 -15.376 12.917 1.00 10.00 H new ATOM 0 HG3 LYS A 19 0.930 -16.365 12.193 1.00 10.00 H new ATOM 0 HD2 LYS A 19 0.430 -14.561 10.551 1.00 10.00 H new ATOM 0 HD3 LYS A 19 1.642 -13.535 11.291 1.00 10.00 H new ATOM 0 HE2 LYS A 19 3.434 -15.088 10.712 1.00 10.00 H new ATOM 0 HE3 LYS A 19 2.290 -16.322 10.226 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 3.240 -15.186 8.325 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 1.567 -14.908 8.405 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 2.653 -13.693 8.883 1.00 10.00 H new ATOM 297 N THR A 20 -0.211 -11.546 14.216 1.00 10.00 N ATOM 298 CA THR A 20 -0.293 -10.125 13.820 1.00 10.00 C ATOM 299 C THR A 20 0.445 -9.154 14.757 1.00 10.00 C ATOM 300 O THR A 20 0.648 -7.996 14.381 1.00 10.00 O ATOM 301 CB THR A 20 -1.754 -9.663 13.685 1.00 10.00 C ATOM 302 OG1 THR A 20 -2.467 -9.922 14.875 1.00 10.00 O ATOM 303 CG2 THR A 20 -2.471 -10.373 12.535 1.00 10.00 C ATOM 0 H THR A 20 -1.039 -11.874 14.714 1.00 10.00 H new ATOM 0 HA THR A 20 0.213 -10.088 12.855 1.00 10.00 H new ATOM 0 HB THR A 20 -1.727 -8.592 13.482 1.00 10.00 H new ATOM 0 HG1 THR A 20 -3.394 -9.621 14.773 1.00 10.00 H new ATOM 0 HG21 THR A 20 -3.500 -10.019 12.474 1.00 10.00 H new ATOM 0 HG22 THR A 20 -1.957 -10.159 11.598 1.00 10.00 H new ATOM 0 HG23 THR A 20 -2.468 -11.448 12.713 1.00 10.00 H new ATOM 311 N LEU A 21 0.874 -9.583 15.953 1.00 10.00 N ATOM 312 CA LEU A 21 1.618 -8.741 16.898 1.00 10.00 C ATOM 313 C LEU A 21 3.043 -8.419 16.381 1.00 10.00 C ATOM 314 O LEU A 21 3.600 -9.218 15.618 1.00 10.00 O ATOM 315 CB LEU A 21 1.692 -9.452 18.263 1.00 10.00 C ATOM 316 CG LEU A 21 0.335 -9.732 18.939 1.00 10.00 C ATOM 317 CD1 LEU A 21 0.562 -10.424 20.283 1.00 10.00 C ATOM 318 CD2 LEU A 21 -0.472 -8.456 19.196 1.00 10.00 C ATOM 0 H LEU A 21 0.713 -10.531 16.293 1.00 10.00 H new ATOM 0 HA LEU A 21 1.090 -7.793 17.003 1.00 10.00 H new ATOM 0 HB2 LEU A 21 2.215 -10.399 18.132 1.00 10.00 H new ATOM 0 HB3 LEU A 21 2.296 -8.845 18.937 1.00 10.00 H new ATOM 0 HG LEU A 21 -0.230 -10.365 18.254 1.00 10.00 H new ATOM 0 HD11 LEU A 21 -0.399 -10.620 20.758 1.00 10.00 H new ATOM 0 HD12 LEU A 21 1.087 -11.366 20.123 1.00 10.00 H new ATOM 0 HD13 LEU A 21 1.160 -9.780 20.927 1.00 10.00 H new ATOM 0 HD21 LEU A 21 -1.418 -8.713 19.673 1.00 10.00 H new ATOM 0 HD22 LEU A 21 0.095 -7.792 19.849 1.00 10.00 H new ATOM 0 HD23 LEU A 21 -0.669 -7.953 18.249 1.00 10.00 H new ATOM 330 N PRO A 22 3.655 -7.282 16.783 1.00 10.00 N ATOM 331 CA PRO A 22 5.012 -6.908 16.372 1.00 10.00 C ATOM 332 C PRO A 22 6.042 -8.015 16.636 1.00 10.00 C ATOM 333 O PRO A 22 6.084 -8.588 17.729 1.00 10.00 O ATOM 334 CB PRO A 22 5.358 -5.637 17.160 1.00 10.00 C ATOM 335 CG PRO A 22 3.995 -5.033 17.484 1.00 10.00 C ATOM 336 CD PRO A 22 3.104 -6.261 17.665 1.00 10.00 C ATOM 0 HA PRO A 22 5.044 -6.743 15.295 1.00 10.00 H new ATOM 0 HB2 PRO A 22 5.920 -5.867 18.065 1.00 10.00 H new ATOM 0 HB3 PRO A 22 5.969 -4.954 16.570 1.00 10.00 H new ATOM 0 HG2 PRO A 22 4.029 -4.423 18.387 1.00 10.00 H new ATOM 0 HG3 PRO A 22 3.637 -4.391 16.679 1.00 10.00 H new ATOM 0 HD2 PRO A 22 3.106 -6.597 18.702 1.00 10.00 H new ATOM 0 HD3 PRO A 22 2.070 -6.036 17.405 1.00 10.00 H new ATOM 344 N ASP A 23 6.895 -8.304 15.650 1.00 10.00 N ATOM 345 CA ASP A 23 7.935 -9.338 15.762 1.00 10.00 C ATOM 346 C ASP A 23 8.878 -9.091 16.951 1.00 10.00 C ATOM 347 O ASP A 23 9.220 -10.026 17.674 1.00 10.00 O ATOM 348 CB ASP A 23 8.737 -9.421 14.456 1.00 10.00 C ATOM 349 CG ASP A 23 7.896 -9.986 13.304 1.00 10.00 C ATOM 350 OD1 ASP A 23 7.609 -11.207 13.327 1.00 10.00 O ATOM 351 OD2 ASP A 23 7.534 -9.223 12.377 1.00 10.00 O ATOM 0 H ASP A 23 6.886 -7.828 14.748 1.00 10.00 H new ATOM 0 HA ASP A 23 7.432 -10.288 15.942 1.00 10.00 H new ATOM 0 HB2 ASP A 23 9.099 -8.428 14.188 1.00 10.00 H new ATOM 0 HB3 ASP A 23 9.614 -10.050 14.608 1.00 10.00 H new ATOM 356 N GLU A 24 9.263 -7.832 17.184 1.00 10.00 N ATOM 357 CA GLU A 24 10.120 -7.439 18.310 1.00 10.00 C ATOM 358 C GLU A 24 9.453 -7.666 19.679 1.00 10.00 C ATOM 359 O GLU A 24 10.128 -8.051 20.632 1.00 10.00 O ATOM 360 CB GLU A 24 10.585 -5.980 18.145 1.00 10.00 C ATOM 361 CG GLU A 24 9.461 -4.931 18.186 1.00 10.00 C ATOM 362 CD GLU A 24 10.015 -3.518 17.925 1.00 10.00 C ATOM 363 OE1 GLU A 24 10.097 -3.100 16.743 1.00 10.00 O ATOM 364 OE2 GLU A 24 10.368 -2.807 18.898 1.00 10.00 O ATOM 0 H GLU A 24 8.987 -7.049 16.591 1.00 10.00 H new ATOM 0 HA GLU A 24 10.994 -8.090 18.291 1.00 10.00 H new ATOM 0 HB2 GLU A 24 11.303 -5.752 18.933 1.00 10.00 H new ATOM 0 HB3 GLU A 24 11.113 -5.888 17.196 1.00 10.00 H new ATOM 0 HG2 GLU A 24 8.705 -5.173 17.439 1.00 10.00 H new ATOM 0 HG3 GLU A 24 8.968 -4.959 19.158 1.00 10.00 H new ATOM 371 N GLU A 25 8.134 -7.470 19.791 1.00 10.00 N ATOM 372 CA GLU A 25 7.383 -7.700 21.033 1.00 10.00 C ATOM 373 C GLU A 25 7.300 -9.199 21.356 1.00 10.00 C ATOM 374 O GLU A 25 7.601 -9.611 22.478 1.00 10.00 O ATOM 375 CB GLU A 25 5.989 -7.060 20.924 1.00 10.00 C ATOM 376 CG GLU A 25 5.217 -7.127 22.248 1.00 10.00 C ATOM 377 CD GLU A 25 3.902 -6.329 22.161 1.00 10.00 C ATOM 378 OE1 GLU A 25 2.864 -6.901 21.751 1.00 10.00 O ATOM 379 OE2 GLU A 25 3.896 -5.124 22.515 1.00 10.00 O ATOM 0 H GLU A 25 7.553 -7.145 19.018 1.00 10.00 H new ATOM 0 HA GLU A 25 7.910 -7.227 21.861 1.00 10.00 H new ATOM 0 HB2 GLU A 25 6.092 -6.019 20.617 1.00 10.00 H new ATOM 0 HB3 GLU A 25 5.418 -7.567 20.146 1.00 10.00 H new ATOM 0 HG2 GLU A 25 5.000 -8.166 22.495 1.00 10.00 H new ATOM 0 HG3 GLU A 25 5.835 -6.730 23.054 1.00 10.00 H new ATOM 386 N VAL A 26 6.945 -10.024 20.362 1.00 10.00 N ATOM 387 CA VAL A 26 6.880 -11.490 20.504 1.00 10.00 C ATOM 388 C VAL A 26 8.265 -12.046 20.861 1.00 10.00 C ATOM 389 O VAL A 26 8.396 -12.818 21.812 1.00 10.00 O ATOM 390 CB VAL A 26 6.309 -12.136 19.224 1.00 10.00 C ATOM 391 CG1 VAL A 26 6.328 -13.669 19.271 1.00 10.00 C ATOM 392 CG2 VAL A 26 4.850 -11.707 19.007 1.00 10.00 C ATOM 0 H VAL A 26 6.693 -9.694 19.430 1.00 10.00 H new ATOM 0 HA VAL A 26 6.202 -11.741 21.319 1.00 10.00 H new ATOM 0 HB VAL A 26 6.950 -11.795 18.411 1.00 10.00 H new ATOM 0 HG11 VAL A 26 5.915 -14.067 18.344 1.00 10.00 H new ATOM 0 HG12 VAL A 26 7.354 -14.017 19.389 1.00 10.00 H new ATOM 0 HG13 VAL A 26 5.729 -14.015 20.113 1.00 10.00 H new ATOM 0 HG21 VAL A 26 4.465 -12.173 18.100 1.00 10.00 H new ATOM 0 HG22 VAL A 26 4.248 -12.021 19.860 1.00 10.00 H new ATOM 0 HG23 VAL A 26 4.801 -10.623 18.907 1.00 10.00 H new ATOM 402 N ASP A 27 9.314 -11.614 20.152 1.00 10.00 N ATOM 403 CA ASP A 27 10.699 -12.013 20.427 1.00 10.00 C ATOM 404 C ASP A 27 11.162 -11.587 21.832 1.00 10.00 C ATOM 405 O ASP A 27 11.828 -12.366 22.512 1.00 10.00 O ATOM 406 CB ASP A 27 11.622 -11.432 19.349 1.00 10.00 C ATOM 407 CG ASP A 27 13.080 -11.887 19.535 1.00 10.00 C ATOM 408 OD1 ASP A 27 13.383 -13.072 19.260 1.00 10.00 O ATOM 409 OD2 ASP A 27 13.932 -11.054 19.928 1.00 10.00 O ATOM 0 H ASP A 27 9.225 -10.972 19.364 1.00 10.00 H new ATOM 0 HA ASP A 27 10.747 -13.102 20.401 1.00 10.00 H new ATOM 0 HB2 ASP A 27 11.269 -11.739 18.365 1.00 10.00 H new ATOM 0 HB3 ASP A 27 11.575 -10.343 19.379 1.00 10.00 H new ATOM 414 N SER A 28 10.787 -10.387 22.298 1.00 10.00 N ATOM 415 CA SER A 28 11.143 -9.897 23.641 1.00 10.00 C ATOM 416 C SER A 28 10.587 -10.794 24.751 1.00 10.00 C ATOM 417 O SER A 28 11.316 -11.126 25.686 1.00 10.00 O ATOM 418 CB SER A 28 10.657 -8.460 23.870 1.00 10.00 C ATOM 419 OG SER A 28 11.327 -7.552 23.013 1.00 10.00 O ATOM 0 H SER A 28 10.228 -9.728 21.756 1.00 10.00 H new ATOM 0 HA SER A 28 12.232 -9.919 23.685 1.00 10.00 H new ATOM 0 HB2 SER A 28 9.583 -8.404 23.695 1.00 10.00 H new ATOM 0 HB3 SER A 28 10.826 -8.177 24.909 1.00 10.00 H new ATOM 0 HG SER A 28 10.921 -7.583 22.122 1.00 10.00 H new ATOM 425 N ILE A 29 9.322 -11.227 24.655 1.00 10.00 N ATOM 426 CA ILE A 29 8.717 -12.129 25.646 1.00 10.00 C ATOM 427 C ILE A 29 9.422 -13.495 25.617 1.00 10.00 C ATOM 428 O ILE A 29 9.804 -14.020 26.665 1.00 10.00 O ATOM 429 CB ILE A 29 7.188 -12.267 25.449 1.00 10.00 C ATOM 430 CG1 ILE A 29 6.478 -10.893 25.510 1.00 10.00 C ATOM 431 CG2 ILE A 29 6.626 -13.185 26.552 1.00 10.00 C ATOM 432 CD1 ILE A 29 5.029 -10.925 25.001 1.00 10.00 C ATOM 0 H ILE A 29 8.694 -10.965 23.895 1.00 10.00 H new ATOM 0 HA ILE A 29 8.859 -11.690 26.634 1.00 10.00 H new ATOM 0 HB ILE A 29 7.004 -12.693 24.463 1.00 10.00 H new ATOM 0 HG12 ILE A 29 6.484 -10.536 26.540 1.00 10.00 H new ATOM 0 HG13 ILE A 29 7.046 -10.174 24.920 1.00 10.00 H new ATOM 0 HG21 ILE A 29 5.549 -13.290 26.424 1.00 10.00 H new ATOM 0 HG22 ILE A 29 7.097 -14.166 26.484 1.00 10.00 H new ATOM 0 HG23 ILE A 29 6.834 -12.749 27.529 1.00 10.00 H new ATOM 0 HD11 ILE A 29 4.596 -9.927 25.074 1.00 10.00 H new ATOM 0 HD12 ILE A 29 5.016 -11.251 23.961 1.00 10.00 H new ATOM 0 HD13 ILE A 29 4.446 -11.619 25.606 1.00 10.00 H new ATOM 444 N LEU A 30 9.666 -14.059 24.427 1.00 10.00 N ATOM 445 CA LEU A 30 10.389 -15.330 24.279 1.00 10.00 C ATOM 446 C LEU A 30 11.822 -15.247 24.847 1.00 10.00 C ATOM 447 O LEU A 30 12.292 -16.202 25.462 1.00 10.00 O ATOM 448 CB LEU A 30 10.392 -15.758 22.800 1.00 10.00 C ATOM 449 CG LEU A 30 9.005 -16.124 22.234 1.00 10.00 C ATOM 450 CD1 LEU A 30 9.118 -16.336 20.724 1.00 10.00 C ATOM 451 CD2 LEU A 30 8.427 -17.395 22.860 1.00 10.00 C ATOM 0 H LEU A 30 9.369 -13.649 23.542 1.00 10.00 H new ATOM 0 HA LEU A 30 9.869 -16.090 24.863 1.00 10.00 H new ATOM 0 HB2 LEU A 30 10.812 -14.949 22.202 1.00 10.00 H new ATOM 0 HB3 LEU A 30 11.055 -16.616 22.685 1.00 10.00 H new ATOM 0 HG LEU A 30 8.334 -15.299 22.472 1.00 10.00 H new ATOM 0 HD11 LEU A 30 8.140 -16.595 20.319 1.00 10.00 H new ATOM 0 HD12 LEU A 30 9.475 -15.420 20.254 1.00 10.00 H new ATOM 0 HD13 LEU A 30 9.820 -17.145 20.522 1.00 10.00 H new ATOM 0 HD21 LEU A 30 7.450 -17.604 22.424 1.00 10.00 H new ATOM 0 HD22 LEU A 30 9.097 -18.233 22.667 1.00 10.00 H new ATOM 0 HD23 LEU A 30 8.321 -17.255 23.936 1.00 10.00 H new ATOM 463 N ALA A 31 12.501 -14.106 24.697 1.00 10.00 N ATOM 464 CA ALA A 31 13.846 -13.861 25.226 1.00 10.00 C ATOM 465 C ALA A 31 13.906 -13.673 26.763 1.00 10.00 C ATOM 466 O ALA A 31 15.003 -13.667 27.327 1.00 10.00 O ATOM 467 CB ALA A 31 14.431 -12.641 24.504 1.00 10.00 C ATOM 0 H ALA A 31 12.120 -13.306 24.191 1.00 10.00 H new ATOM 0 HA ALA A 31 14.439 -14.755 25.035 1.00 10.00 H new ATOM 0 HB1 ALA A 31 15.433 -12.440 24.883 1.00 10.00 H new ATOM 0 HB2 ALA A 31 14.481 -12.841 23.434 1.00 10.00 H new ATOM 0 HB3 ALA A 31 13.795 -11.774 24.682 1.00 10.00 H new ATOM 473 N GLU A 32 12.765 -13.522 27.451 1.00 10.00 N ATOM 474 CA GLU A 32 12.694 -13.307 28.910 1.00 10.00 C ATOM 475 C GLU A 32 11.887 -14.377 29.676 1.00 10.00 C ATOM 476 O GLU A 32 12.079 -14.524 30.885 1.00 10.00 O ATOM 477 CB GLU A 32 12.141 -11.901 29.211 1.00 10.00 C ATOM 478 CG GLU A 32 13.107 -10.782 28.795 1.00 10.00 C ATOM 479 CD GLU A 32 12.624 -9.413 29.314 1.00 10.00 C ATOM 480 OE1 GLU A 32 13.004 -9.022 30.445 1.00 10.00 O ATOM 481 OE2 GLU A 32 11.870 -8.708 28.599 1.00 10.00 O ATOM 0 H GLU A 32 11.848 -13.546 27.005 1.00 10.00 H new ATOM 0 HA GLU A 32 13.717 -13.398 29.274 1.00 10.00 H new ATOM 0 HB2 GLU A 32 11.193 -11.769 28.690 1.00 10.00 H new ATOM 0 HB3 GLU A 32 11.933 -11.818 30.278 1.00 10.00 H new ATOM 0 HG2 GLU A 32 14.103 -10.992 29.186 1.00 10.00 H new ATOM 0 HG3 GLU A 32 13.190 -10.754 27.709 1.00 10.00 H new ATOM 488 N ASP A 33 11.010 -15.137 29.008 1.00 10.00 N ATOM 489 CA ASP A 33 10.181 -16.191 29.623 1.00 10.00 C ATOM 490 C ASP A 33 10.099 -17.503 28.811 1.00 10.00 C ATOM 491 O ASP A 33 9.693 -18.533 29.350 1.00 10.00 O ATOM 492 CB ASP A 33 8.771 -15.632 29.877 1.00 10.00 C ATOM 493 CG ASP A 33 8.004 -16.437 30.944 1.00 10.00 C ATOM 494 OD1 ASP A 33 8.476 -16.509 32.105 1.00 10.00 O ATOM 495 OD2 ASP A 33 6.903 -16.959 30.648 1.00 10.00 O ATOM 0 H ASP A 33 10.851 -15.038 28.005 1.00 10.00 H new ATOM 0 HA ASP A 33 10.671 -16.466 30.557 1.00 10.00 H new ATOM 0 HB2 ASP A 33 8.847 -14.592 30.195 1.00 10.00 H new ATOM 0 HB3 ASP A 33 8.207 -15.640 28.945 1.00 10.00 H new ATOM 500 N GLY A 34 10.498 -17.498 27.531 1.00 10.00 N ATOM 501 CA GLY A 34 10.505 -18.677 26.649 1.00 10.00 C ATOM 502 C GLY A 34 9.138 -19.106 26.094 1.00 10.00 C ATOM 503 O GLY A 34 9.079 -19.976 25.223 1.00 10.00 O ATOM 0 H GLY A 34 10.833 -16.654 27.068 1.00 10.00 H new ATOM 0 HA2 GLY A 34 11.170 -18.475 25.809 1.00 10.00 H new ATOM 0 HA3 GLY A 34 10.932 -19.516 27.199 1.00 10.00 H new ATOM 507 N GLU A 35 8.042 -18.506 26.564 1.00 10.00 N ATOM 508 CA GLU A 35 6.668 -18.810 26.148 1.00 10.00 C ATOM 509 C GLU A 35 5.709 -17.632 26.406 1.00 10.00 C ATOM 510 O GLU A 35 6.059 -16.650 27.062 1.00 10.00 O ATOM 511 CB GLU A 35 6.170 -20.098 26.840 1.00 10.00 C ATOM 512 CG GLU A 35 6.081 -19.999 28.370 1.00 10.00 C ATOM 513 CD GLU A 35 5.660 -21.348 28.983 1.00 10.00 C ATOM 514 OE1 GLU A 35 6.531 -22.230 29.187 1.00 10.00 O ATOM 515 OE2 GLU A 35 4.454 -21.538 29.273 1.00 10.00 O ATOM 0 H GLU A 35 8.087 -17.770 27.269 1.00 10.00 H new ATOM 0 HA GLU A 35 6.678 -18.975 25.071 1.00 10.00 H new ATOM 0 HB2 GLU A 35 5.186 -20.351 26.446 1.00 10.00 H new ATOM 0 HB3 GLU A 35 6.838 -20.919 26.579 1.00 10.00 H new ATOM 0 HG2 GLU A 35 7.046 -19.696 28.776 1.00 10.00 H new ATOM 0 HG3 GLU A 35 5.362 -19.228 28.648 1.00 10.00 H new ATOM 522 N ILE A 36 4.494 -17.741 25.868 1.00 10.00 N ATOM 523 CA ILE A 36 3.406 -16.759 25.921 1.00 10.00 C ATOM 524 C ILE A 36 2.111 -17.490 26.310 1.00 10.00 C ATOM 525 O ILE A 36 1.813 -18.565 25.786 1.00 10.00 O ATOM 526 CB ILE A 36 3.280 -16.054 24.543 1.00 10.00 C ATOM 527 CG1 ILE A 36 4.558 -15.243 24.210 1.00 10.00 C ATOM 528 CG2 ILE A 36 2.050 -15.125 24.492 1.00 10.00 C ATOM 529 CD1 ILE A 36 4.680 -14.806 22.748 1.00 10.00 C ATOM 0 H ILE A 36 4.223 -18.575 25.347 1.00 10.00 H new ATOM 0 HA ILE A 36 3.608 -15.990 26.667 1.00 10.00 H new ATOM 0 HB ILE A 36 3.154 -16.838 23.797 1.00 10.00 H new ATOM 0 HG12 ILE A 36 4.583 -14.356 24.843 1.00 10.00 H new ATOM 0 HG13 ILE A 36 5.430 -15.844 24.469 1.00 10.00 H new ATOM 0 HG21 ILE A 36 1.994 -14.649 23.513 1.00 10.00 H new ATOM 0 HG22 ILE A 36 1.146 -15.709 24.664 1.00 10.00 H new ATOM 0 HG23 ILE A 36 2.140 -14.360 25.263 1.00 10.00 H new ATOM 0 HD11 ILE A 36 5.605 -14.245 22.612 1.00 10.00 H new ATOM 0 HD12 ILE A 36 4.691 -15.686 22.105 1.00 10.00 H new ATOM 0 HD13 ILE A 36 3.831 -14.175 22.485 1.00 10.00 H new ATOM 541 N ASP A 37 1.333 -16.894 27.215 1.00 10.00 N ATOM 542 CA ASP A 37 0.045 -17.393 27.716 1.00 10.00 C ATOM 543 C ASP A 37 -1.040 -16.361 27.379 1.00 10.00 C ATOM 544 O ASP A 37 -1.068 -15.274 27.965 1.00 10.00 O ATOM 545 CB ASP A 37 0.147 -17.642 29.231 1.00 10.00 C ATOM 546 CG ASP A 37 -1.206 -17.969 29.895 1.00 10.00 C ATOM 547 OD1 ASP A 37 -2.127 -18.483 29.218 1.00 10.00 O ATOM 548 OD2 ASP A 37 -1.354 -17.701 31.111 1.00 10.00 O ATOM 0 H ASP A 37 1.595 -16.005 27.642 1.00 10.00 H new ATOM 0 HA ASP A 37 -0.218 -18.340 27.244 1.00 10.00 H new ATOM 0 HB2 ASP A 37 0.838 -18.465 29.410 1.00 10.00 H new ATOM 0 HB3 ASP A 37 0.573 -16.759 29.708 1.00 10.00 H new ATOM 553 N MET A 38 -1.895 -16.673 26.400 1.00 10.00 N ATOM 554 CA MET A 38 -2.931 -15.753 25.912 1.00 10.00 C ATOM 555 C MET A 38 -4.278 -16.415 25.605 1.00 10.00 C ATOM 556 O MET A 38 -4.369 -17.619 25.359 1.00 10.00 O ATOM 557 CB MET A 38 -2.400 -14.945 24.719 1.00 10.00 C ATOM 558 CG MET A 38 -1.991 -15.804 23.520 1.00 10.00 C ATOM 559 SD MET A 38 -1.345 -14.815 22.151 1.00 10.00 S ATOM 560 CE MET A 38 -2.895 -14.222 21.415 1.00 10.00 C ATOM 0 H MET A 38 -1.889 -17.574 25.921 1.00 10.00 H new ATOM 0 HA MET A 38 -3.150 -15.073 26.736 1.00 10.00 H new ATOM 0 HB2 MET A 38 -3.166 -14.238 24.402 1.00 10.00 H new ATOM 0 HB3 MET A 38 -1.540 -14.359 25.044 1.00 10.00 H new ATOM 0 HG2 MET A 38 -1.235 -16.524 23.833 1.00 10.00 H new ATOM 0 HG3 MET A 38 -2.852 -16.377 23.176 1.00 10.00 H new ATOM 0 HE1 MET A 38 -2.671 -13.593 20.553 1.00 10.00 H new ATOM 0 HE2 MET A 38 -3.496 -15.074 21.097 1.00 10.00 H new ATOM 0 HE3 MET A 38 -3.450 -13.642 22.153 1.00 10.00 H new ATOM 570 N HIS A 39 -5.327 -15.594 25.620 1.00 10.00 N ATOM 571 CA HIS A 39 -6.714 -15.970 25.355 1.00 10.00 C ATOM 572 C HIS A 39 -7.123 -15.752 23.886 1.00 10.00 C ATOM 573 O HIS A 39 -6.740 -14.762 23.253 1.00 10.00 O ATOM 574 CB HIS A 39 -7.624 -15.164 26.297 1.00 10.00 C ATOM 575 CG HIS A 39 -7.327 -13.682 26.390 1.00 10.00 C ATOM 576 ND1 HIS A 39 -7.047 -12.830 25.345 1.00 10.00 N ATOM 577 CD2 HIS A 39 -7.263 -12.939 27.539 1.00 10.00 C ATOM 578 CE1 HIS A 39 -6.819 -11.605 25.845 1.00 10.00 C ATOM 579 NE2 HIS A 39 -6.940 -11.620 27.186 1.00 10.00 N ATOM 0 H HIS A 39 -5.227 -14.600 25.827 1.00 10.00 H new ATOM 0 HA HIS A 39 -6.820 -17.039 25.540 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -8.656 -15.289 25.970 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -7.552 -15.593 27.296 1.00 10.00 H new ATOM 0 HD1 HIS A 39 -7.018 -13.086 24.358 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -7.432 -13.304 28.541 1.00 10.00 H new ATOM 0 HE1 HIS A 39 -6.574 -10.733 25.256 1.00 10.00 H new ATOM 587 N CYS A 40 -7.927 -16.675 23.353 1.00 10.00 N ATOM 588 CA CYS A 40 -8.491 -16.644 22.008 1.00 10.00 C ATOM 589 C CYS A 40 -9.333 -15.370 21.796 1.00 10.00 C ATOM 590 O CYS A 40 -10.241 -15.072 22.575 1.00 10.00 O ATOM 591 CB CYS A 40 -9.320 -17.923 21.838 1.00 10.00 C ATOM 592 SG CYS A 40 -9.907 -18.075 20.129 1.00 10.00 S ATOM 0 H CYS A 40 -8.214 -17.503 23.875 1.00 10.00 H new ATOM 0 HA CYS A 40 -7.706 -16.612 21.253 1.00 10.00 H new ATOM 0 HB2 CYS A 40 -8.717 -18.792 22.101 1.00 10.00 H new ATOM 0 HB3 CYS A 40 -10.170 -17.907 22.521 1.00 10.00 H new ATOM 597 N ASP A 41 -9.038 -14.617 20.735 1.00 10.00 N ATOM 598 CA ASP A 41 -9.724 -13.362 20.387 1.00 10.00 C ATOM 599 C ASP A 41 -11.228 -13.527 20.058 1.00 10.00 C ATOM 600 O ASP A 41 -11.963 -12.540 19.983 1.00 10.00 O ATOM 601 CB ASP A 41 -8.965 -12.720 19.213 1.00 10.00 C ATOM 602 CG ASP A 41 -9.433 -11.286 18.905 1.00 10.00 C ATOM 603 OD1 ASP A 41 -9.297 -10.402 19.785 1.00 10.00 O ATOM 604 OD2 ASP A 41 -9.890 -11.025 17.765 1.00 10.00 O ATOM 0 H ASP A 41 -8.300 -14.864 20.076 1.00 10.00 H new ATOM 0 HA ASP A 41 -9.710 -12.718 21.266 1.00 10.00 H new ATOM 0 HB2 ASP A 41 -7.899 -12.707 19.441 1.00 10.00 H new ATOM 0 HB3 ASP A 41 -9.094 -13.337 18.324 1.00 10.00 H new ATOM 609 N TYR A 42 -11.693 -14.767 19.864 1.00 10.00 N ATOM 610 CA TYR A 42 -13.070 -15.103 19.493 1.00 10.00 C ATOM 611 C TYR A 42 -13.948 -15.618 20.650 1.00 10.00 C ATOM 612 O TYR A 42 -15.158 -15.372 20.636 1.00 10.00 O ATOM 613 CB TYR A 42 -13.001 -16.157 18.382 1.00 10.00 C ATOM 614 CG TYR A 42 -12.638 -15.601 17.015 1.00 10.00 C ATOM 615 CD1 TYR A 42 -11.298 -15.290 16.708 1.00 10.00 C ATOM 616 CD2 TYR A 42 -13.644 -15.390 16.051 1.00 10.00 C ATOM 617 CE1 TYR A 42 -10.962 -14.776 15.440 1.00 10.00 C ATOM 618 CE2 TYR A 42 -13.314 -14.874 14.783 1.00 10.00 C ATOM 619 CZ TYR A 42 -11.970 -14.566 14.473 1.00 10.00 C ATOM 620 OH TYR A 42 -11.640 -14.068 13.249 1.00 10.00 O ATOM 0 H TYR A 42 -11.100 -15.591 19.965 1.00 10.00 H new ATOM 0 HA TYR A 42 -13.553 -14.181 19.168 1.00 10.00 H new ATOM 0 HB2 TYR A 42 -12.267 -16.914 18.660 1.00 10.00 H new ATOM 0 HB3 TYR A 42 -13.966 -16.659 18.313 1.00 10.00 H new ATOM 0 HD1 TYR A 42 -10.526 -15.446 17.447 1.00 10.00 H new ATOM 0 HD2 TYR A 42 -14.672 -15.625 16.286 1.00 10.00 H new ATOM 0 HE1 TYR A 42 -9.934 -14.543 15.207 1.00 10.00 H new ATOM 0 HE2 TYR A 42 -14.088 -14.714 14.047 1.00 10.00 H new ATOM 0 HH TYR A 42 -12.448 -13.984 12.701 1.00 10.00 H new ATOM 630 N CYS A 43 -13.370 -16.325 21.631 1.00 10.00 N ATOM 631 CA CYS A 43 -14.101 -16.935 22.756 1.00 10.00 C ATOM 632 C CYS A 43 -13.443 -16.832 24.154 1.00 10.00 C ATOM 633 O CYS A 43 -14.039 -17.271 25.141 1.00 10.00 O ATOM 634 CB CYS A 43 -14.402 -18.394 22.386 1.00 10.00 C ATOM 635 SG CYS A 43 -12.877 -19.319 22.052 1.00 10.00 S ATOM 0 H CYS A 43 -12.365 -16.493 21.668 1.00 10.00 H new ATOM 0 HA CYS A 43 -15.009 -16.346 22.883 1.00 10.00 H new ATOM 0 HB2 CYS A 43 -14.949 -18.872 23.199 1.00 10.00 H new ATOM 0 HB3 CYS A 43 -15.047 -18.423 21.508 1.00 10.00 H new ATOM 640 N GLY A 44 -12.248 -16.248 24.278 1.00 10.00 N ATOM 641 CA GLY A 44 -11.556 -16.044 25.560 1.00 10.00 C ATOM 642 C GLY A 44 -10.836 -17.268 26.153 1.00 10.00 C ATOM 643 O GLY A 44 -10.202 -17.147 27.202 1.00 10.00 O ATOM 0 H GLY A 44 -11.722 -15.896 23.478 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -10.824 -15.247 25.430 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -12.285 -15.691 26.289 1.00 10.00 H new ATOM 647 N ASN A 45 -10.904 -18.440 25.512 1.00 10.00 N ATOM 648 CA ASN A 45 -10.231 -19.663 25.971 1.00 10.00 C ATOM 649 C ASN A 45 -8.696 -19.506 25.908 1.00 10.00 C ATOM 650 O ASN A 45 -8.167 -19.026 24.906 1.00 10.00 O ATOM 651 CB ASN A 45 -10.728 -20.848 25.126 1.00 10.00 C ATOM 652 CG ASN A 45 -12.124 -21.279 25.543 1.00 10.00 C ATOM 653 OD1 ASN A 45 -12.298 -22.068 26.460 1.00 10.00 O ATOM 654 ND2 ASN A 45 -13.161 -20.794 24.900 1.00 10.00 N ATOM 0 H ASN A 45 -11.434 -18.569 24.650 1.00 10.00 H new ATOM 0 HA ASN A 45 -10.477 -19.852 27.016 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -10.731 -20.569 24.072 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -10.040 -21.687 25.232 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -14.104 -21.076 25.167 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -13.023 -20.135 24.134 1.00 10.00 H new ATOM 661 N HIS A 46 -7.972 -19.902 26.961 1.00 10.00 N ATOM 662 CA HIS A 46 -6.509 -19.754 27.036 1.00 10.00 C ATOM 663 C HIS A 46 -5.738 -20.873 26.318 1.00 10.00 C ATOM 664 O HIS A 46 -6.189 -22.020 26.245 1.00 10.00 O ATOM 665 CB HIS A 46 -6.070 -19.688 28.510 1.00 10.00 C ATOM 666 CG HIS A 46 -5.966 -18.279 29.036 1.00 10.00 C ATOM 667 ND1 HIS A 46 -4.795 -17.602 29.294 1.00 10.00 N ATOM 668 CD2 HIS A 46 -6.997 -17.434 29.348 1.00 10.00 C ATOM 669 CE1 HIS A 46 -5.107 -16.381 29.754 1.00 10.00 C ATOM 670 NE2 HIS A 46 -6.443 -16.228 29.806 1.00 10.00 N ATOM 0 H HIS A 46 -8.382 -20.335 27.788 1.00 10.00 H new ATOM 0 HA HIS A 46 -6.265 -18.827 26.517 1.00 10.00 H new ATOM 0 HB2 HIS A 46 -6.782 -20.245 29.120 1.00 10.00 H new ATOM 0 HB3 HIS A 46 -5.104 -20.181 28.617 1.00 10.00 H new ATOM 0 HD1 HIS A 46 -3.852 -17.966 29.159 1.00 10.00 H new ATOM 0 HD2 HIS A 46 -8.050 -17.656 29.258 1.00 10.00 H new ATOM 0 HE1 HIS A 46 -4.388 -15.628 30.042 1.00 10.00 H new ATOM 678 N TYR A 47 -4.541 -20.529 25.832 1.00 10.00 N ATOM 679 CA TYR A 47 -3.598 -21.391 25.138 1.00 10.00 C ATOM 680 C TYR A 47 -2.174 -20.907 25.414 1.00 10.00 C ATOM 681 O TYR A 47 -1.944 -19.728 25.708 1.00 10.00 O ATOM 682 CB TYR A 47 -3.861 -21.323 23.629 1.00 10.00 C ATOM 683 CG TYR A 47 -4.996 -22.210 23.166 1.00 10.00 C ATOM 684 CD1 TYR A 47 -4.831 -23.609 23.169 1.00 10.00 C ATOM 685 CD2 TYR A 47 -6.206 -21.639 22.728 1.00 10.00 C ATOM 686 CE1 TYR A 47 -5.869 -24.442 22.711 1.00 10.00 C ATOM 687 CE2 TYR A 47 -7.241 -22.470 22.257 1.00 10.00 C ATOM 688 CZ TYR A 47 -7.074 -23.874 22.245 1.00 10.00 C ATOM 689 OH TYR A 47 -8.068 -24.680 21.782 1.00 10.00 O ATOM 0 H TYR A 47 -4.188 -19.576 25.923 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.717 -22.416 25.489 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -4.083 -20.292 23.355 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.952 -21.605 23.098 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -3.907 -24.043 23.523 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.340 -20.568 22.753 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.743 -25.515 22.716 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.164 -22.034 21.904 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.031 -25.543 22.244 1.00 10.00 H new ATOM 699 N LEU A 48 -1.216 -21.825 25.275 1.00 10.00 N ATOM 700 CA LEU A 48 0.202 -21.545 25.462 1.00 10.00 C ATOM 701 C LEU A 48 0.948 -21.664 24.123 1.00 10.00 C ATOM 702 O LEU A 48 0.653 -22.553 23.319 1.00 10.00 O ATOM 703 CB LEU A 48 0.809 -22.511 26.500 1.00 10.00 C ATOM 704 CG LEU A 48 0.148 -22.522 27.892 1.00 10.00 C ATOM 705 CD1 LEU A 48 0.851 -23.544 28.786 1.00 10.00 C ATOM 706 CD2 LEU A 48 0.216 -21.160 28.579 1.00 10.00 C ATOM 0 H LEU A 48 -1.409 -22.795 25.026 1.00 10.00 H new ATOM 0 HA LEU A 48 0.309 -20.526 25.833 1.00 10.00 H new ATOM 0 HB2 LEU A 48 0.766 -23.521 26.093 1.00 10.00 H new ATOM 0 HB3 LEU A 48 1.863 -22.262 26.624 1.00 10.00 H new ATOM 0 HG LEU A 48 -0.900 -22.781 27.745 1.00 10.00 H new ATOM 0 HD11 LEU A 48 0.382 -23.550 29.770 1.00 10.00 H new ATOM 0 HD12 LEU A 48 0.770 -24.535 28.339 1.00 10.00 H new ATOM 0 HD13 LEU A 48 1.903 -23.276 28.887 1.00 10.00 H new ATOM 0 HD21 LEU A 48 -0.263 -21.221 29.556 1.00 10.00 H new ATOM 0 HD22 LEU A 48 1.258 -20.867 28.704 1.00 10.00 H new ATOM 0 HD23 LEU A 48 -0.299 -20.418 27.968 1.00 10.00 H new ATOM 718 N PHE A 49 1.920 -20.780 23.894 1.00 10.00 N ATOM 719 CA PHE A 49 2.733 -20.719 22.673 1.00 10.00 C ATOM 720 C PHE A 49 4.212 -20.528 23.024 1.00 10.00 C ATOM 721 O PHE A 49 4.553 -19.674 23.839 1.00 10.00 O ATOM 722 CB PHE A 49 2.249 -19.548 21.800 1.00 10.00 C ATOM 723 CG PHE A 49 0.797 -19.623 21.363 1.00 10.00 C ATOM 724 CD1 PHE A 49 -0.220 -19.088 22.179 1.00 10.00 C ATOM 725 CD2 PHE A 49 0.462 -20.212 20.130 1.00 10.00 C ATOM 726 CE1 PHE A 49 -1.563 -19.159 21.769 1.00 10.00 C ATOM 727 CE2 PHE A 49 -0.881 -20.281 19.720 1.00 10.00 C ATOM 728 CZ PHE A 49 -1.895 -19.758 20.541 1.00 10.00 C ATOM 0 H PHE A 49 2.173 -20.063 24.573 1.00 10.00 H new ATOM 0 HA PHE A 49 2.625 -21.655 22.126 1.00 10.00 H new ATOM 0 HB2 PHE A 49 2.398 -18.619 22.351 1.00 10.00 H new ATOM 0 HB3 PHE A 49 2.877 -19.495 20.911 1.00 10.00 H new ATOM 0 HD1 PHE A 49 0.033 -18.623 23.120 1.00 10.00 H new ATOM 0 HD2 PHE A 49 1.239 -20.613 19.496 1.00 10.00 H new ATOM 0 HE1 PHE A 49 -2.341 -18.753 22.398 1.00 10.00 H new ATOM 0 HE2 PHE A 49 -1.134 -20.736 18.774 1.00 10.00 H new ATOM 0 HZ PHE A 49 -2.927 -19.816 20.229 1.00 10.00 H new ATOM 738 N ASN A 50 5.097 -21.302 22.398 1.00 10.00 N ATOM 739 CA ASN A 50 6.553 -21.217 22.569 1.00 10.00 C ATOM 740 C ASN A 50 7.259 -20.947 21.234 1.00 10.00 C ATOM 741 O ASN A 50 6.630 -20.924 20.175 1.00 10.00 O ATOM 742 CB ASN A 50 7.074 -22.474 23.291 1.00 10.00 C ATOM 743 CG ASN A 50 6.822 -23.761 22.524 1.00 10.00 C ATOM 744 OD1 ASN A 50 7.220 -23.910 21.379 1.00 10.00 O ATOM 745 ND2 ASN A 50 6.152 -24.725 23.111 1.00 10.00 N ATOM 0 H ASN A 50 4.816 -22.027 21.738 1.00 10.00 H new ATOM 0 HA ASN A 50 6.789 -20.363 23.203 1.00 10.00 H new ATOM 0 HB2 ASN A 50 8.145 -22.367 23.463 1.00 10.00 H new ATOM 0 HB3 ASN A 50 6.599 -22.544 24.270 1.00 10.00 H new ATOM 0 HD21 ASN A 50 5.966 -25.594 22.611 1.00 10.00 H new ATOM 0 HD22 ASN A 50 5.818 -24.605 24.067 1.00 10.00 H new ATOM 752 N ALA A 51 8.577 -20.760 21.282 1.00 10.00 N ATOM 753 CA ALA A 51 9.392 -20.468 20.100 1.00 10.00 C ATOM 754 C ALA A 51 9.254 -21.514 18.972 1.00 10.00 C ATOM 755 O ALA A 51 9.162 -21.142 17.802 1.00 10.00 O ATOM 756 CB ALA A 51 10.851 -20.316 20.544 1.00 10.00 C ATOM 0 H ALA A 51 9.115 -20.807 22.147 1.00 10.00 H new ATOM 0 HA ALA A 51 9.026 -19.539 19.663 1.00 10.00 H new ATOM 0 HB1 ALA A 51 11.474 -20.098 19.677 1.00 10.00 H new ATOM 0 HB2 ALA A 51 10.930 -19.500 21.262 1.00 10.00 H new ATOM 0 HB3 ALA A 51 11.188 -21.242 21.009 1.00 10.00 H new ATOM 762 N MET A 52 9.204 -22.811 19.302 1.00 10.00 N ATOM 763 CA MET A 52 9.040 -23.893 18.317 1.00 10.00 C ATOM 764 C MET A 52 7.629 -23.917 17.709 1.00 10.00 C ATOM 765 O MET A 52 7.473 -24.117 16.506 1.00 10.00 O ATOM 766 CB MET A 52 9.375 -25.254 18.948 1.00 10.00 C ATOM 767 CG MET A 52 10.802 -25.356 19.508 1.00 10.00 C ATOM 768 SD MET A 52 12.160 -25.188 18.307 1.00 10.00 S ATOM 769 CE MET A 52 12.524 -23.411 18.414 1.00 10.00 C ATOM 0 H MET A 52 9.276 -23.143 20.264 1.00 10.00 H new ATOM 0 HA MET A 52 9.740 -23.696 17.505 1.00 10.00 H new ATOM 0 HB2 MET A 52 8.666 -25.453 19.752 1.00 10.00 H new ATOM 0 HB3 MET A 52 9.234 -26.033 18.199 1.00 10.00 H new ATOM 0 HG2 MET A 52 10.925 -24.588 20.271 1.00 10.00 H new ATOM 0 HG3 MET A 52 10.905 -26.320 20.007 1.00 10.00 H new ATOM 0 HE1 MET A 52 13.589 -23.247 18.251 1.00 10.00 H new ATOM 0 HE2 MET A 52 11.954 -22.876 17.654 1.00 10.00 H new ATOM 0 HE3 MET A 52 12.247 -23.042 19.401 1.00 10.00 H new ATOM 779 N ASP A 53 6.593 -23.673 18.515 1.00 10.00 N ATOM 780 CA ASP A 53 5.202 -23.608 18.050 1.00 10.00 C ATOM 781 C ASP A 53 4.988 -22.400 17.124 1.00 10.00 C ATOM 782 O ASP A 53 4.393 -22.508 16.052 1.00 10.00 O ATOM 783 CB ASP A 53 4.295 -23.527 19.280 1.00 10.00 C ATOM 784 CG ASP A 53 2.809 -23.702 18.953 1.00 10.00 C ATOM 785 OD1 ASP A 53 2.429 -24.591 18.157 1.00 10.00 O ATOM 786 OD2 ASP A 53 1.990 -22.979 19.553 1.00 10.00 O ATOM 0 H ASP A 53 6.695 -23.513 19.517 1.00 10.00 H new ATOM 0 HA ASP A 53 4.960 -24.498 17.470 1.00 10.00 H new ATOM 0 HB2 ASP A 53 4.595 -24.294 19.994 1.00 10.00 H new ATOM 0 HB3 ASP A 53 4.441 -22.563 19.767 1.00 10.00 H new ATOM 791 N ILE A 54 5.546 -21.249 17.508 1.00 10.00 N ATOM 792 CA ILE A 54 5.542 -20.013 16.720 1.00 10.00 C ATOM 793 C ILE A 54 6.318 -20.219 15.410 1.00 10.00 C ATOM 794 O ILE A 54 5.901 -19.712 14.370 1.00 10.00 O ATOM 795 CB ILE A 54 6.079 -18.861 17.600 1.00 10.00 C ATOM 796 CG1 ILE A 54 4.994 -18.513 18.646 1.00 10.00 C ATOM 797 CG2 ILE A 54 6.456 -17.618 16.777 1.00 10.00 C ATOM 798 CD1 ILE A 54 5.481 -17.629 19.799 1.00 10.00 C ATOM 0 H ILE A 54 6.027 -21.148 18.402 1.00 10.00 H new ATOM 0 HA ILE A 54 4.531 -19.739 16.419 1.00 10.00 H new ATOM 0 HB ILE A 54 6.996 -19.190 18.089 1.00 10.00 H new ATOM 0 HG12 ILE A 54 4.170 -18.008 18.142 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.595 -19.440 19.059 1.00 10.00 H new ATOM 0 HG21 ILE A 54 6.827 -16.839 17.443 1.00 10.00 H new ATOM 0 HG22 ILE A 54 7.232 -17.880 16.057 1.00 10.00 H new ATOM 0 HG23 ILE A 54 5.577 -17.253 16.246 1.00 10.00 H new ATOM 0 HD11 ILE A 54 4.655 -17.436 20.483 1.00 10.00 H new ATOM 0 HD12 ILE A 54 6.284 -18.137 20.333 1.00 10.00 H new ATOM 0 HD13 ILE A 54 5.851 -16.684 19.402 1.00 10.00 H new ATOM 810 N ALA A 55 7.398 -21.007 15.421 1.00 10.00 N ATOM 811 CA ALA A 55 8.153 -21.328 14.205 1.00 10.00 C ATOM 812 C ALA A 55 7.304 -22.142 13.205 1.00 10.00 C ATOM 813 O ALA A 55 7.385 -21.911 11.998 1.00 10.00 O ATOM 814 CB ALA A 55 9.457 -22.048 14.569 1.00 10.00 C ATOM 0 H ALA A 55 7.772 -21.438 16.267 1.00 10.00 H new ATOM 0 HA ALA A 55 8.410 -20.395 13.703 1.00 10.00 H new ATOM 0 HB1 ALA A 55 10.010 -22.282 13.659 1.00 10.00 H new ATOM 0 HB2 ALA A 55 10.063 -21.404 15.206 1.00 10.00 H new ATOM 0 HB3 ALA A 55 9.227 -22.971 15.101 1.00 10.00 H new ATOM 820 N GLU A 56 6.443 -23.048 13.685 1.00 10.00 N ATOM 821 CA GLU A 56 5.517 -23.805 12.830 1.00 10.00 C ATOM 822 C GLU A 56 4.414 -22.883 12.283 1.00 10.00 C ATOM 823 O GLU A 56 4.100 -22.942 11.094 1.00 10.00 O ATOM 824 CB GLU A 56 4.900 -24.987 13.599 1.00 10.00 C ATOM 825 CG GLU A 56 5.897 -26.116 13.899 1.00 10.00 C ATOM 826 CD GLU A 56 6.316 -26.872 12.622 1.00 10.00 C ATOM 827 OE1 GLU A 56 5.558 -27.761 12.163 1.00 10.00 O ATOM 828 OE2 GLU A 56 7.408 -26.591 12.071 1.00 10.00 O ATOM 0 H GLU A 56 6.368 -23.278 14.676 1.00 10.00 H new ATOM 0 HA GLU A 56 6.083 -24.206 11.989 1.00 10.00 H new ATOM 0 HB2 GLU A 56 4.486 -24.621 14.538 1.00 10.00 H new ATOM 0 HB3 GLU A 56 4.070 -25.392 13.020 1.00 10.00 H new ATOM 0 HG2 GLU A 56 6.782 -25.700 14.380 1.00 10.00 H new ATOM 0 HG3 GLU A 56 5.450 -26.816 14.605 1.00 10.00 H new ATOM 835 N ILE A 57 3.867 -21.984 13.114 1.00 10.00 N ATOM 836 CA ILE A 57 2.860 -20.984 12.708 1.00 10.00 C ATOM 837 C ILE A 57 3.426 -20.075 11.600 1.00 10.00 C ATOM 838 O ILE A 57 2.762 -19.835 10.593 1.00 10.00 O ATOM 839 CB ILE A 57 2.387 -20.189 13.953 1.00 10.00 C ATOM 840 CG1 ILE A 57 1.526 -21.090 14.872 1.00 10.00 C ATOM 841 CG2 ILE A 57 1.591 -18.927 13.565 1.00 10.00 C ATOM 842 CD1 ILE A 57 1.366 -20.558 16.304 1.00 10.00 C ATOM 0 H ILE A 57 4.113 -21.928 14.102 1.00 10.00 H new ATOM 0 HA ILE A 57 1.987 -21.482 12.287 1.00 10.00 H new ATOM 0 HB ILE A 57 3.280 -19.868 14.489 1.00 10.00 H new ATOM 0 HG12 ILE A 57 0.538 -21.205 14.427 1.00 10.00 H new ATOM 0 HG13 ILE A 57 1.975 -22.082 14.913 1.00 10.00 H new ATOM 0 HG21 ILE A 57 1.280 -18.401 14.468 1.00 10.00 H new ATOM 0 HG22 ILE A 57 2.219 -18.272 12.962 1.00 10.00 H new ATOM 0 HG23 ILE A 57 0.710 -19.215 12.991 1.00 10.00 H new ATOM 0 HD11 ILE A 57 0.750 -21.247 16.881 1.00 10.00 H new ATOM 0 HD12 ILE A 57 2.347 -20.470 16.771 1.00 10.00 H new ATOM 0 HD13 ILE A 57 0.888 -19.579 16.277 1.00 10.00 H new ATOM 854 N ARG A 58 4.683 -19.632 11.721 1.00 10.00 N ATOM 855 CA ARG A 58 5.418 -18.820 10.725 1.00 10.00 C ATOM 856 C ARG A 58 5.692 -19.547 9.397 1.00 10.00 C ATOM 857 O ARG A 58 6.090 -18.910 8.422 1.00 10.00 O ATOM 858 CB ARG A 58 6.732 -18.325 11.351 1.00 10.00 C ATOM 859 CG ARG A 58 6.497 -17.183 12.351 1.00 10.00 C ATOM 860 CD ARG A 58 7.807 -16.811 13.056 1.00 10.00 C ATOM 861 NE ARG A 58 7.609 -15.732 14.044 1.00 10.00 N ATOM 862 CZ ARG A 58 7.574 -14.431 13.812 1.00 10.00 C ATOM 863 NH1 ARG A 58 7.698 -13.908 12.629 1.00 10.00 N ATOM 864 NH2 ARG A 58 7.410 -13.578 14.775 1.00 10.00 N ATOM 0 H ARG A 58 5.245 -19.834 12.548 1.00 10.00 H new ATOM 0 HA ARG A 58 4.774 -17.980 10.465 1.00 10.00 H new ATOM 0 HB2 ARG A 58 7.228 -19.154 11.857 1.00 10.00 H new ATOM 0 HB3 ARG A 58 7.404 -17.985 10.563 1.00 10.00 H new ATOM 0 HG2 ARG A 58 6.097 -16.313 11.831 1.00 10.00 H new ATOM 0 HG3 ARG A 58 5.753 -17.484 13.088 1.00 10.00 H new ATOM 0 HD2 ARG A 58 8.214 -17.691 13.555 1.00 10.00 H new ATOM 0 HD3 ARG A 58 8.542 -16.496 12.315 1.00 10.00 H new ATOM 0 HE ARG A 58 7.485 -16.023 15.014 1.00 10.00 H new ATOM 0 HH11 ARG A 58 7.831 -14.510 11.817 1.00 10.00 H new ATOM 0 HH12 ARG A 58 7.663 -12.895 12.513 1.00 10.00 H new ATOM 0 HH21 ARG A 58 7.305 -13.907 15.735 1.00 10.00 H new ATOM 0 HH22 ARG A 58 7.386 -12.579 14.572 1.00 10.00 H new ATOM 878 N ASN A 59 5.450 -20.857 9.346 1.00 10.00 N ATOM 879 CA ASN A 59 5.591 -21.727 8.172 1.00 10.00 C ATOM 880 C ASN A 59 4.235 -22.335 7.735 1.00 10.00 C ATOM 881 O ASN A 59 4.198 -23.253 6.911 1.00 10.00 O ATOM 882 CB ASN A 59 6.678 -22.779 8.470 1.00 10.00 C ATOM 883 CG ASN A 59 8.077 -22.192 8.371 1.00 10.00 C ATOM 884 OD1 ASN A 59 8.653 -22.083 7.296 1.00 10.00 O ATOM 885 ND2 ASN A 59 8.671 -21.788 9.470 1.00 10.00 N ATOM 0 H ASN A 59 5.132 -21.371 10.168 1.00 10.00 H new ATOM 0 HA ASN A 59 5.914 -21.143 7.310 1.00 10.00 H new ATOM 0 HB2 ASN A 59 6.525 -23.186 9.469 1.00 10.00 H new ATOM 0 HB3 ASN A 59 6.582 -23.609 7.770 1.00 10.00 H new ATOM 0 HD21 ASN A 59 9.607 -21.386 9.425 1.00 10.00 H new ATOM 0 HD22 ASN A 59 8.196 -21.876 10.368 1.00 10.00 H new ATOM 892 N ASN A 60 3.117 -21.820 8.268 1.00 10.00 N ATOM 893 CA ASN A 60 1.747 -22.259 7.964 1.00 10.00 C ATOM 894 C ASN A 60 0.769 -21.080 7.744 1.00 10.00 C ATOM 895 O ASN A 60 -0.165 -21.200 6.949 1.00 10.00 O ATOM 896 CB ASN A 60 1.287 -23.184 9.104 1.00 10.00 C ATOM 897 CG ASN A 60 -0.070 -23.809 8.823 1.00 10.00 C ATOM 898 OD1 ASN A 60 -1.103 -23.348 9.285 1.00 10.00 O ATOM 899 ND2 ASN A 60 -0.113 -24.876 8.055 1.00 10.00 N ATOM 0 H ASN A 60 3.143 -21.059 8.947 1.00 10.00 H new ATOM 0 HA ASN A 60 1.746 -22.799 7.017 1.00 10.00 H new ATOM 0 HB2 ASN A 60 2.025 -23.973 9.250 1.00 10.00 H new ATOM 0 HB3 ASN A 60 1.238 -22.616 10.033 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -1.008 -25.318 7.846 1.00 10.00 H new ATOM 0 HD22 ASN A 60 0.749 -25.262 7.669 1.00 10.00 H new ATOM 906 N ALA A 61 0.998 -19.938 8.404 1.00 10.00 N ATOM 907 CA ALA A 61 0.195 -18.711 8.307 1.00 10.00 C ATOM 908 C ALA A 61 0.895 -17.597 7.486 1.00 10.00 C ATOM 909 O ALA A 61 0.585 -16.411 7.645 1.00 10.00 O ATOM 910 CB ALA A 61 -0.157 -18.273 9.737 1.00 10.00 C ATOM 0 H ALA A 61 1.782 -19.839 9.049 1.00 10.00 H new ATOM 0 HA ALA A 61 -0.720 -18.912 7.750 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -0.755 -17.362 9.702 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -0.726 -19.062 10.229 1.00 10.00 H new ATOM 0 HB3 ALA A 61 0.760 -18.084 10.296 1.00 10.00 H new ATOM 916 N SER A 62 1.843 -17.974 6.615 1.00 10.00 N ATOM 917 CA SER A 62 2.655 -17.093 5.747 1.00 10.00 C ATOM 918 C SER A 62 2.608 -17.537 4.281 1.00 10.00 C ATOM 919 O SER A 62 2.833 -18.738 4.004 1.00 10.00 O ATOM 920 CB SER A 62 4.113 -17.078 6.213 1.00 10.00 C ATOM 921 OG SER A 62 4.214 -16.536 7.520 1.00 10.00 O ATOM 0 H SER A 62 2.081 -18.957 6.486 1.00 10.00 H new ATOM 0 HA SER A 62 2.229 -16.093 5.822 1.00 10.00 H new ATOM 0 HB2 SER A 62 4.514 -18.091 6.202 1.00 10.00 H new ATOM 0 HB3 SER A 62 4.715 -16.489 5.522 1.00 10.00 H new ATOM 0 HG SER A 62 4.797 -17.104 8.066 1.00 10.00 H new TER 927 SER A 62 HETATM 928 ZN ZN A 63 -11.530 -19.695 20.236 1.00 10.00 ZN