USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 55 ASN : amide:sc= 0.0121 X(o=-5.5,f=-5.8) USER MOD Set 1.2: A 60 ASN : amide:sc= -5.51! C(o=-5.5!,f=-6.4!) USER MOD Set 2.1: A 22 TYR OH : rot 150:sc= 0.465 USER MOD Set 2.2: A 51 TYR OH : rot -111:sc= 0.542 USER MOD Single : A 1 ARG N :NH3+ -142:sc= -5.1! (180deg=-8.22!) USER MOD Single : A 2 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.42) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0.351 (180deg=0.302) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.4!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= -0.0712 (180deg=-0.199) USER MOD Single : A 24 MET CE :methyl -108:sc= -3.1! (180deg=-3.91!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0569 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.950 -7.346 6.332 1.00 0.00 N ATOM 2 CA ARG A 1 -10.200 -7.474 5.535 1.00 0.00 C ATOM 3 C ARG A 1 -10.074 -6.635 4.261 1.00 0.00 C ATOM 4 O ARG A 1 -10.071 -7.153 3.162 1.00 0.00 O ATOM 5 CB ARG A 1 -11.389 -6.972 6.360 1.00 0.00 C ATOM 6 CG ARG A 1 -11.212 -7.371 7.828 1.00 0.00 C ATOM 7 CD ARG A 1 -11.181 -6.111 8.697 1.00 0.00 C ATOM 8 NE ARG A 1 -9.904 -6.067 9.466 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.823 -6.654 10.628 1.00 0.00 C ATOM 10 NH1 ARG A 1 -10.655 -7.612 10.935 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.910 -6.284 11.484 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.719 -8.263 6.765 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.171 -7.050 5.710 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.086 -6.635 7.079 1.00 0.00 H new ATOM 0 HA ARG A 1 -10.359 -8.520 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.469 -5.888 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -12.316 -7.391 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -12.029 -8.022 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.288 -7.936 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.272 -5.223 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -12.030 -6.107 9.381 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.095 -5.578 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -11.369 -7.902 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -10.591 -8.071 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.260 -5.536 11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.847 -6.743 12.393 1.00 0.00 H new ATOM 27 N LYS A 2 -9.970 -5.343 4.404 1.00 0.00 N ATOM 28 CA LYS A 2 -9.844 -4.465 3.205 1.00 0.00 C ATOM 29 C LYS A 2 -8.852 -3.337 3.498 1.00 0.00 C ATOM 30 O LYS A 2 -8.282 -3.263 4.569 1.00 0.00 O ATOM 31 CB LYS A 2 -11.212 -3.866 2.866 1.00 0.00 C ATOM 32 CG LYS A 2 -11.989 -3.590 4.156 1.00 0.00 C ATOM 33 CD LYS A 2 -13.170 -4.557 4.258 1.00 0.00 C ATOM 34 CE LYS A 2 -13.901 -4.335 5.583 1.00 0.00 C ATOM 35 NZ LYS A 2 -14.485 -5.626 6.049 1.00 0.00 N ATOM 0 H LYS A 2 -9.967 -4.856 5.300 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.484 -5.053 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.085 -2.942 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.773 -4.552 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.334 -3.707 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.347 -2.560 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.854 -4.402 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.817 -5.586 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.211 -3.944 6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.688 -3.592 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.429 -5.455 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.564 -6.282 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.870 -6.043 6.777 1.00 0.00 H new ATOM 49 N CYS A 3 -8.653 -2.447 2.562 1.00 0.00 N ATOM 50 CA CYS A 3 -7.713 -1.317 2.800 1.00 0.00 C ATOM 51 C CYS A 3 -8.497 -0.010 2.698 1.00 0.00 C ATOM 52 O CYS A 3 -9.038 0.321 1.665 1.00 0.00 O ATOM 53 CB CYS A 3 -6.594 -1.337 1.751 1.00 0.00 C ATOM 54 SG CYS A 3 -6.112 -3.049 1.401 1.00 0.00 S ATOM 0 H CYS A 3 -9.100 -2.455 1.645 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.262 -1.408 3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.932 -0.850 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.734 -0.774 2.113 1.00 0.00 H new ATOM 59 N ASN A 4 -8.572 0.734 3.763 1.00 0.00 N ATOM 60 CA ASN A 4 -9.341 2.007 3.715 1.00 0.00 C ATOM 61 C ASN A 4 -8.509 3.078 3.015 1.00 0.00 C ATOM 62 O ASN A 4 -8.924 4.213 2.892 1.00 0.00 O ATOM 63 CB ASN A 4 -9.663 2.461 5.140 1.00 0.00 C ATOM 64 CG ASN A 4 -11.127 2.149 5.458 1.00 0.00 C ATOM 65 OD1 ASN A 4 -11.961 3.031 5.460 1.00 0.00 O ATOM 66 ND2 ASN A 4 -11.476 0.920 5.727 1.00 0.00 N ATOM 0 H ASN A 4 -8.137 0.518 4.660 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.269 1.851 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.010 1.954 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.478 3.530 5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.449 0.701 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.775 0.179 5.725 1.00 0.00 H new ATOM 73 N LYS A 5 -7.344 2.729 2.543 1.00 0.00 N ATOM 74 CA LYS A 5 -6.504 3.736 1.845 1.00 0.00 C ATOM 75 C LYS A 5 -5.508 3.043 0.917 1.00 0.00 C ATOM 76 O LYS A 5 -5.068 1.936 1.158 1.00 0.00 O ATOM 77 CB LYS A 5 -5.733 4.563 2.872 1.00 0.00 C ATOM 78 CG LYS A 5 -6.624 5.691 3.394 1.00 0.00 C ATOM 79 CD LYS A 5 -7.128 6.528 2.218 1.00 0.00 C ATOM 80 CE LYS A 5 -6.960 8.014 2.544 1.00 0.00 C ATOM 81 NZ LYS A 5 -5.538 8.409 2.340 1.00 0.00 N ATOM 0 H LYS A 5 -6.941 1.794 2.611 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.154 4.384 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.411 3.928 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.832 4.977 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.467 5.277 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.065 6.319 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.573 6.277 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.176 6.304 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.610 8.613 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.258 8.207 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.459 9.446 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.953 8.002 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.208 8.056 1.419 1.00 0.00 H new ATOM 95 N LEU A 6 -5.138 3.715 -0.132 1.00 0.00 N ATOM 96 CA LEU A 6 -4.151 3.156 -1.097 1.00 0.00 C ATOM 97 C LEU A 6 -3.213 4.292 -1.486 1.00 0.00 C ATOM 98 O LEU A 6 -2.005 4.162 -1.485 1.00 0.00 O ATOM 99 CB LEU A 6 -4.878 2.638 -2.341 1.00 0.00 C ATOM 100 CG LEU A 6 -5.551 1.301 -2.025 1.00 0.00 C ATOM 101 CD1 LEU A 6 -7.071 1.481 -2.034 1.00 0.00 C ATOM 102 CD2 LEU A 6 -5.154 0.270 -3.083 1.00 0.00 C ATOM 0 H LEU A 6 -5.483 4.645 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.599 2.328 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.623 3.363 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.172 2.516 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.232 0.956 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.551 0.529 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.355 2.217 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.391 1.825 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.633 -0.683 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.475 0.615 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.072 0.142 -3.079 1.00 0.00 H new ATOM 114 N VAL A 7 -3.787 5.420 -1.784 1.00 0.00 N ATOM 115 CA VAL A 7 -2.994 6.623 -2.142 1.00 0.00 C ATOM 116 C VAL A 7 -3.526 7.759 -1.258 1.00 0.00 C ATOM 117 O VAL A 7 -4.300 7.496 -0.358 1.00 0.00 O ATOM 118 CB VAL A 7 -3.170 6.947 -3.638 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.796 7.168 -4.273 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.856 5.780 -4.362 1.00 0.00 C ATOM 0 H VAL A 7 -4.797 5.561 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.927 6.473 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.784 7.843 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.917 7.397 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.295 7.999 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.195 6.265 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.973 6.025 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.246 4.882 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.837 5.603 -3.920 1.00 0.00 H new ATOM 130 N PRO A 8 -3.119 8.977 -1.499 1.00 0.00 N ATOM 131 CA PRO A 8 -3.582 10.108 -0.680 1.00 0.00 C ATOM 132 C PRO A 8 -5.010 10.519 -1.061 1.00 0.00 C ATOM 133 O PRO A 8 -5.498 11.547 -0.634 1.00 0.00 O ATOM 134 CB PRO A 8 -2.574 11.217 -0.990 1.00 0.00 C ATOM 135 CG PRO A 8 -1.935 10.860 -2.354 1.00 0.00 C ATOM 136 CD PRO A 8 -2.182 9.356 -2.579 1.00 0.00 C ATOM 0 HA PRO A 8 -3.627 9.872 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.067 12.188 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.815 11.280 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.380 11.449 -3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.868 11.081 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.610 9.166 -3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.254 8.787 -2.520 1.00 0.00 H new ATOM 144 N LEU A 9 -5.686 9.741 -1.869 1.00 0.00 N ATOM 145 CA LEU A 9 -7.058 10.112 -2.270 1.00 0.00 C ATOM 146 C LEU A 9 -7.851 8.843 -2.674 1.00 0.00 C ATOM 147 O LEU A 9 -8.913 8.919 -3.256 1.00 0.00 O ATOM 148 CB LEU A 9 -6.929 11.087 -3.445 1.00 0.00 C ATOM 149 CG LEU A 9 -8.217 11.133 -4.248 1.00 0.00 C ATOM 150 CD1 LEU A 9 -9.391 11.401 -3.307 1.00 0.00 C ATOM 151 CD2 LEU A 9 -8.127 12.255 -5.284 1.00 0.00 C ATOM 0 H LEU A 9 -5.339 8.867 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.602 10.582 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.691 12.083 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.104 10.782 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.368 10.180 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.317 11.435 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.452 10.604 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.242 12.356 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.050 12.291 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.980 13.208 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.287 12.066 -5.953 1.00 0.00 H new ATOM 163 N PHE A 10 -7.356 7.667 -2.368 1.00 0.00 N ATOM 164 CA PHE A 10 -8.113 6.435 -2.762 1.00 0.00 C ATOM 165 C PHE A 10 -8.288 5.477 -1.574 1.00 0.00 C ATOM 166 O PHE A 10 -7.555 5.516 -0.606 1.00 0.00 O ATOM 167 CB PHE A 10 -7.362 5.704 -3.876 1.00 0.00 C ATOM 168 CG PHE A 10 -6.949 6.683 -4.950 1.00 0.00 C ATOM 169 CD1 PHE A 10 -6.020 7.691 -4.663 1.00 0.00 C ATOM 170 CD2 PHE A 10 -7.492 6.578 -6.236 1.00 0.00 C ATOM 171 CE1 PHE A 10 -5.635 8.594 -5.662 1.00 0.00 C ATOM 172 CE2 PHE A 10 -7.107 7.480 -7.235 1.00 0.00 C ATOM 173 CZ PHE A 10 -6.179 8.488 -6.947 1.00 0.00 C ATOM 0 H PHE A 10 -6.479 7.507 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.099 6.747 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.482 5.207 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.996 4.928 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.600 7.772 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.208 5.801 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.919 9.372 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.526 7.398 -8.227 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.883 9.185 -7.717 1.00 0.00 H new ATOM 183 N TYR A 11 -9.262 4.607 -1.670 1.00 0.00 N ATOM 184 CA TYR A 11 -9.526 3.610 -0.589 1.00 0.00 C ATOM 185 C TYR A 11 -10.367 2.471 -1.189 1.00 0.00 C ATOM 186 O TYR A 11 -11.291 2.718 -1.938 1.00 0.00 O ATOM 187 CB TYR A 11 -10.301 4.277 0.549 1.00 0.00 C ATOM 188 CG TYR A 11 -11.481 5.029 -0.019 1.00 0.00 C ATOM 189 CD1 TYR A 11 -11.295 6.286 -0.605 1.00 0.00 C ATOM 190 CD2 TYR A 11 -12.763 4.468 0.041 1.00 0.00 C ATOM 191 CE1 TYR A 11 -12.390 6.984 -1.130 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.858 5.164 -0.484 1.00 0.00 C ATOM 193 CZ TYR A 11 -13.670 6.422 -1.070 1.00 0.00 C ATOM 194 OH TYR A 11 -14.750 7.109 -1.588 1.00 0.00 O ATOM 0 H TYR A 11 -9.896 4.545 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.588 3.222 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.643 3.525 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.650 4.959 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.306 6.718 -0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.907 3.498 0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.246 7.955 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.847 4.732 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.565 6.578 -1.466 1.00 0.00 H new ATOM 204 N LYS A 12 -10.062 1.232 -0.893 1.00 0.00 N ATOM 205 CA LYS A 12 -10.867 0.123 -1.489 1.00 0.00 C ATOM 206 C LYS A 12 -10.786 -1.135 -0.618 1.00 0.00 C ATOM 207 O LYS A 12 -10.459 -1.080 0.550 1.00 0.00 O ATOM 208 CB LYS A 12 -10.330 -0.188 -2.885 1.00 0.00 C ATOM 209 CG LYS A 12 -11.395 0.160 -3.923 1.00 0.00 C ATOM 210 CD LYS A 12 -10.854 1.232 -4.872 1.00 0.00 C ATOM 211 CE LYS A 12 -11.618 1.171 -6.196 1.00 0.00 C ATOM 212 NZ LYS A 12 -12.789 2.090 -6.137 1.00 0.00 N ATOM 0 H LYS A 12 -9.303 0.944 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.910 0.435 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.421 0.384 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.064 -1.243 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.674 -0.731 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.297 0.520 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.962 2.219 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.789 1.075 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.962 1.453 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.952 0.151 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.308 2.049 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.418 1.801 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.459 3.062 -5.972 1.00 0.00 H new ATOM 226 N THR A 13 -11.094 -2.276 -1.178 1.00 0.00 N ATOM 227 CA THR A 13 -11.044 -3.535 -0.381 1.00 0.00 C ATOM 228 C THR A 13 -10.226 -4.591 -1.126 1.00 0.00 C ATOM 229 O THR A 13 -9.560 -4.303 -2.101 1.00 0.00 O ATOM 230 CB THR A 13 -12.469 -4.054 -0.165 1.00 0.00 C ATOM 231 OG1 THR A 13 -13.030 -4.421 -1.418 1.00 0.00 O ATOM 232 CG2 THR A 13 -13.321 -2.958 0.476 1.00 0.00 C ATOM 0 H THR A 13 -11.377 -2.389 -2.151 1.00 0.00 H new ATOM 0 HA THR A 13 -10.575 -3.333 0.582 1.00 0.00 H new ATOM 0 HB THR A 13 -12.445 -4.923 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.941 -4.755 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.335 -3.328 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.889 -2.676 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.348 -2.088 -0.180 1.00 0.00 H new ATOM 240 N CYS A 14 -10.270 -5.814 -0.671 1.00 0.00 N ATOM 241 CA CYS A 14 -9.494 -6.891 -1.345 1.00 0.00 C ATOM 242 C CYS A 14 -10.369 -8.141 -1.489 1.00 0.00 C ATOM 243 O CYS A 14 -11.330 -8.308 -0.764 1.00 0.00 O ATOM 244 CB CYS A 14 -8.261 -7.232 -0.506 1.00 0.00 C ATOM 245 SG CYS A 14 -6.784 -6.539 -1.291 1.00 0.00 S ATOM 0 H CYS A 14 -10.811 -6.113 0.140 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.183 -6.548 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.372 -6.831 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.161 -8.313 -0.410 1.00 0.00 H new ATOM 250 N PRO A 15 -10.006 -8.981 -2.424 1.00 0.00 N ATOM 251 CA PRO A 15 -10.734 -10.233 -2.695 1.00 0.00 C ATOM 252 C PRO A 15 -10.362 -11.300 -1.662 1.00 0.00 C ATOM 253 O PRO A 15 -9.890 -10.996 -0.584 1.00 0.00 O ATOM 254 CB PRO A 15 -10.251 -10.631 -4.093 1.00 0.00 C ATOM 255 CG PRO A 15 -8.886 -9.930 -4.298 1.00 0.00 C ATOM 256 CD PRO A 15 -8.836 -8.760 -3.298 1.00 0.00 C ATOM 0 HA PRO A 15 -11.817 -10.123 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.148 -11.713 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.966 -10.320 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.064 -10.624 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.786 -9.569 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.907 -8.763 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.895 -7.798 -3.807 1.00 0.00 H new ATOM 264 N ALA A 16 -10.570 -12.549 -1.981 1.00 0.00 N ATOM 265 CA ALA A 16 -10.225 -13.633 -1.017 1.00 0.00 C ATOM 266 C ALA A 16 -8.947 -14.337 -1.477 1.00 0.00 C ATOM 267 O ALA A 16 -8.829 -15.544 -1.397 1.00 0.00 O ATOM 268 CB ALA A 16 -11.371 -14.645 -0.953 1.00 0.00 C ATOM 0 H ALA A 16 -10.964 -12.865 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.067 -13.202 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.118 -15.437 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.281 -14.144 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.531 -15.076 -1.941 1.00 0.00 H new ATOM 274 N GLY A 17 -7.989 -13.593 -1.959 1.00 0.00 N ATOM 275 CA GLY A 17 -6.719 -14.221 -2.423 1.00 0.00 C ATOM 276 C GLY A 17 -5.561 -13.721 -1.559 1.00 0.00 C ATOM 277 O GLY A 17 -4.565 -14.396 -1.389 1.00 0.00 O ATOM 0 H GLY A 17 -8.031 -12.578 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.793 -15.307 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.539 -13.975 -3.469 1.00 0.00 H new ATOM 281 N LYS A 18 -5.683 -12.543 -1.013 1.00 0.00 N ATOM 282 CA LYS A 18 -4.591 -11.999 -0.160 1.00 0.00 C ATOM 283 C LYS A 18 -5.156 -11.625 1.211 1.00 0.00 C ATOM 284 O LYS A 18 -6.256 -12.005 1.564 1.00 0.00 O ATOM 285 CB LYS A 18 -3.995 -10.758 -0.828 1.00 0.00 C ATOM 286 CG LYS A 18 -3.646 -11.082 -2.282 1.00 0.00 C ATOM 287 CD LYS A 18 -4.346 -10.088 -3.211 1.00 0.00 C ATOM 288 CE LYS A 18 -5.055 -10.849 -4.334 1.00 0.00 C ATOM 289 NZ LYS A 18 -4.069 -11.202 -5.393 1.00 0.00 N ATOM 0 H LYS A 18 -6.493 -11.933 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.813 -12.752 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.706 -9.933 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.103 -10.436 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.567 -11.033 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.954 -12.099 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.067 -9.494 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.619 -9.393 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.520 -11.752 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.853 -10.238 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.550 -11.719 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.646 -10.333 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.322 -11.801 -4.986 1.00 0.00 H new ATOM 303 N ASN A 19 -4.416 -10.884 1.991 1.00 0.00 N ATOM 304 CA ASN A 19 -4.919 -10.492 3.337 1.00 0.00 C ATOM 305 C ASN A 19 -4.234 -9.201 3.789 1.00 0.00 C ATOM 306 O ASN A 19 -4.856 -8.325 4.356 1.00 0.00 O ATOM 307 CB ASN A 19 -4.614 -11.607 4.339 1.00 0.00 C ATOM 308 CG ASN A 19 -5.013 -12.955 3.738 1.00 0.00 C ATOM 309 OD1 ASN A 19 -6.168 -13.331 3.774 1.00 0.00 O ATOM 310 ND2 ASN A 19 -4.100 -13.705 3.185 1.00 0.00 N ATOM 0 H ASN A 19 -3.487 -10.534 1.754 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.996 -10.330 3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.553 -11.607 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.158 -11.435 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.356 -14.607 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.130 -13.390 3.155 1.00 0.00 H new ATOM 317 N LEU A 20 -2.956 -9.076 3.548 1.00 0.00 N ATOM 318 CA LEU A 20 -2.243 -7.839 3.970 1.00 0.00 C ATOM 319 C LEU A 20 -2.509 -6.723 2.964 1.00 0.00 C ATOM 320 O LEU A 20 -3.253 -6.884 2.016 1.00 0.00 O ATOM 321 CB LEU A 20 -0.737 -8.101 4.042 1.00 0.00 C ATOM 322 CG LEU A 20 -0.253 -7.920 5.482 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.193 -9.270 6.044 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.927 -6.948 5.500 1.00 0.00 C ATOM 0 H LEU A 20 -2.379 -9.774 3.079 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.606 -7.542 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.517 -9.111 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.206 -7.416 3.381 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.064 -7.523 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.538 -9.141 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.646 -9.966 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.005 -9.667 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.275 -6.817 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.737 -7.348 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.612 -5.985 5.098 1.00 0.00 H new ATOM 336 N CYS A 21 -1.896 -5.596 3.166 1.00 0.00 N ATOM 337 CA CYS A 21 -2.093 -4.448 2.238 1.00 0.00 C ATOM 338 C CYS A 21 -0.926 -3.486 2.438 1.00 0.00 C ATOM 339 O CYS A 21 -0.618 -3.104 3.550 1.00 0.00 O ATOM 340 CB CYS A 21 -3.418 -3.762 2.576 1.00 0.00 C ATOM 341 SG CYS A 21 -4.111 -2.966 1.104 1.00 0.00 S ATOM 0 H CYS A 21 -1.259 -5.416 3.942 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.126 -4.776 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.124 -4.494 2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.261 -3.020 3.359 1.00 0.00 H new ATOM 346 N TYR A 22 -0.249 -3.116 1.390 1.00 0.00 N ATOM 347 CA TYR A 22 0.916 -2.210 1.565 1.00 0.00 C ATOM 348 C TYR A 22 0.865 -1.049 0.580 1.00 0.00 C ATOM 349 O TYR A 22 0.645 -1.226 -0.604 1.00 0.00 O ATOM 350 CB TYR A 22 2.204 -3.000 1.323 1.00 0.00 C ATOM 351 CG TYR A 22 2.324 -3.318 -0.149 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.447 -4.235 -0.740 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.303 -2.687 -0.923 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.552 -4.523 -2.106 1.00 0.00 C ATOM 355 CE2 TYR A 22 3.406 -2.972 -2.290 1.00 0.00 C ATOM 356 CZ TYR A 22 2.530 -3.892 -2.881 1.00 0.00 C ATOM 357 OH TYR A 22 2.625 -4.173 -4.229 1.00 0.00 O ATOM 0 H TYR A 22 -0.449 -3.398 0.430 1.00 0.00 H new ATOM 0 HA TYR A 22 0.889 -1.810 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.067 -2.422 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.195 -3.921 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.690 -4.720 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.980 -1.980 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.877 -5.233 -2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.160 -2.483 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 22 2.965 -3.386 -4.704 1.00 0.00 H new ATOM 367 N LYS A 23 1.117 0.133 1.061 1.00 0.00 N ATOM 368 CA LYS A 23 1.142 1.309 0.160 1.00 0.00 C ATOM 369 C LYS A 23 2.505 1.320 -0.532 1.00 0.00 C ATOM 370 O LYS A 23 3.529 1.529 0.098 1.00 0.00 O ATOM 371 CB LYS A 23 0.961 2.595 0.975 1.00 0.00 C ATOM 372 CG LYS A 23 -0.118 3.469 0.333 1.00 0.00 C ATOM 373 CD LYS A 23 -1.418 3.343 1.130 1.00 0.00 C ATOM 374 CE LYS A 23 -1.538 4.518 2.103 1.00 0.00 C ATOM 375 NZ LYS A 23 -0.544 4.356 3.202 1.00 0.00 N ATOM 0 H LYS A 23 1.307 0.334 2.043 1.00 0.00 H new ATOM 0 HA LYS A 23 0.336 1.253 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.681 2.350 2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.903 3.141 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.208 4.509 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.281 3.163 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.272 3.330 0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.431 2.401 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.366 5.458 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.547 4.562 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.714 5.076 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.640 3.409 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.417 4.470 2.821 1.00 0.00 H new ATOM 389 N MET A 24 2.531 1.067 -1.812 1.00 0.00 N ATOM 390 CA MET A 24 3.829 1.041 -2.541 1.00 0.00 C ATOM 391 C MET A 24 4.193 2.458 -2.975 1.00 0.00 C ATOM 392 O MET A 24 3.600 3.010 -3.879 1.00 0.00 O ATOM 393 CB MET A 24 3.701 0.144 -3.775 1.00 0.00 C ATOM 394 CG MET A 24 5.086 -0.098 -4.377 1.00 0.00 C ATOM 395 SD MET A 24 5.095 0.445 -6.103 1.00 0.00 S ATOM 396 CE MET A 24 5.892 2.046 -5.830 1.00 0.00 C ATOM 0 H MET A 24 1.708 0.877 -2.384 1.00 0.00 H new ATOM 0 HA MET A 24 4.609 0.649 -1.888 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.241 -0.806 -3.501 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.049 0.613 -4.512 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.841 0.446 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.341 -1.156 -4.316 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.161 2.844 -5.960 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.294 2.084 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.702 2.176 -6.547 1.00 0.00 H new ATOM 406 N PHE A 25 5.162 3.051 -2.334 1.00 0.00 N ATOM 407 CA PHE A 25 5.570 4.437 -2.701 1.00 0.00 C ATOM 408 C PHE A 25 6.941 4.389 -3.380 1.00 0.00 C ATOM 409 O PHE A 25 7.431 3.334 -3.733 1.00 0.00 O ATOM 410 CB PHE A 25 5.670 5.292 -1.435 1.00 0.00 C ATOM 411 CG PHE A 25 4.290 5.638 -0.908 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.138 5.107 -1.507 1.00 0.00 C ATOM 413 CD2 PHE A 25 4.170 6.487 0.198 1.00 0.00 C ATOM 414 CE1 PHE A 25 1.873 5.427 -0.996 1.00 0.00 C ATOM 415 CE2 PHE A 25 2.906 6.804 0.710 1.00 0.00 C ATOM 416 CZ PHE A 25 1.757 6.274 0.112 1.00 0.00 C ATOM 0 H PHE A 25 5.691 2.634 -1.568 1.00 0.00 H new ATOM 0 HA PHE A 25 4.832 4.869 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.232 4.754 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.222 6.207 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.226 4.452 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.056 6.899 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.986 5.019 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.818 7.457 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.781 6.519 0.505 1.00 0.00 H new ATOM 426 N MET A 26 7.570 5.519 -3.558 1.00 0.00 N ATOM 427 CA MET A 26 8.912 5.526 -4.207 1.00 0.00 C ATOM 428 C MET A 26 9.894 6.318 -3.342 1.00 0.00 C ATOM 429 O MET A 26 9.504 7.056 -2.459 1.00 0.00 O ATOM 430 CB MET A 26 8.810 6.174 -5.590 1.00 0.00 C ATOM 431 CG MET A 26 8.934 5.096 -6.669 1.00 0.00 C ATOM 432 SD MET A 26 9.600 5.833 -8.182 1.00 0.00 S ATOM 433 CE MET A 26 9.429 4.373 -9.238 1.00 0.00 C ATOM 0 H MET A 26 7.214 6.435 -3.283 1.00 0.00 H new ATOM 0 HA MET A 26 9.268 4.501 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.858 6.696 -5.690 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.596 6.919 -5.713 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.587 4.294 -6.324 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.959 4.650 -6.867 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.788 4.605 -10.241 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.016 3.553 -8.823 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.380 4.080 -9.287 1.00 0.00 H new ATOM 443 N VAL A 27 11.167 6.172 -3.589 1.00 0.00 N ATOM 444 CA VAL A 27 12.174 6.916 -2.781 1.00 0.00 C ATOM 445 C VAL A 27 12.641 8.148 -3.558 1.00 0.00 C ATOM 446 O VAL A 27 13.239 9.052 -3.009 1.00 0.00 O ATOM 447 CB VAL A 27 13.372 6.008 -2.493 1.00 0.00 C ATOM 448 CG1 VAL A 27 14.291 6.681 -1.471 1.00 0.00 C ATOM 449 CG2 VAL A 27 12.876 4.673 -1.932 1.00 0.00 C ATOM 0 H VAL A 27 11.553 5.569 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 27 11.724 7.230 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 27 13.924 5.833 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.144 6.034 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.645 7.632 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.740 6.858 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.728 4.025 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.323 4.849 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.223 4.193 -2.660 1.00 0.00 H new ATOM 459 N SER A 28 12.370 8.192 -4.835 1.00 0.00 N ATOM 460 CA SER A 28 12.795 9.365 -5.648 1.00 0.00 C ATOM 461 C SER A 28 11.570 9.979 -6.328 1.00 0.00 C ATOM 462 O SER A 28 11.686 10.793 -7.222 1.00 0.00 O ATOM 463 CB SER A 28 13.798 8.916 -6.711 1.00 0.00 C ATOM 464 OG SER A 28 14.959 9.734 -6.635 1.00 0.00 O ATOM 0 H SER A 28 11.872 7.465 -5.349 1.00 0.00 H new ATOM 0 HA SER A 28 13.264 10.106 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.065 7.870 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.352 8.989 -7.703 1.00 0.00 H new ATOM 0 HG SER A 28 15.605 9.448 -7.314 1.00 0.00 H new ATOM 470 N ASN A 29 10.396 9.592 -5.910 1.00 0.00 N ATOM 471 CA ASN A 29 9.162 10.151 -6.530 1.00 0.00 C ATOM 472 C ASN A 29 9.171 11.674 -6.394 1.00 0.00 C ATOM 473 O ASN A 29 10.022 12.242 -5.740 1.00 0.00 O ATOM 474 CB ASN A 29 7.932 9.581 -5.817 1.00 0.00 C ATOM 475 CG ASN A 29 6.739 9.583 -6.774 1.00 0.00 C ATOM 476 OD1 ASN A 29 6.909 9.634 -7.976 1.00 0.00 O ATOM 477 ND2 ASN A 29 5.529 9.529 -6.288 1.00 0.00 N ATOM 0 H ASN A 29 10.238 8.913 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 29 9.128 9.881 -7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.135 8.566 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.703 10.176 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.726 9.530 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.386 9.486 -5.279 1.00 0.00 H new ATOM 484 N LEU A 30 8.232 12.340 -7.007 1.00 0.00 N ATOM 485 CA LEU A 30 8.191 13.826 -6.912 1.00 0.00 C ATOM 486 C LEU A 30 7.317 14.239 -5.726 1.00 0.00 C ATOM 487 O LEU A 30 6.917 15.380 -5.606 1.00 0.00 O ATOM 488 CB LEU A 30 7.606 14.405 -8.202 1.00 0.00 C ATOM 489 CG LEU A 30 8.620 14.251 -9.336 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.880 14.158 -10.673 1.00 0.00 C ATOM 491 CD2 LEU A 30 9.552 15.464 -9.353 1.00 0.00 C ATOM 0 H LEU A 30 7.492 11.920 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 30 9.202 14.207 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.679 13.891 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.359 15.457 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 30 9.205 13.344 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.602 14.048 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.214 13.295 -10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.296 15.065 -10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.276 15.356 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.967 16.370 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.079 15.532 -8.401 1.00 0.00 H new ATOM 503 N THR A 31 7.017 13.320 -4.848 1.00 0.00 N ATOM 504 CA THR A 31 6.169 13.666 -3.673 1.00 0.00 C ATOM 505 C THR A 31 6.432 12.676 -2.537 1.00 0.00 C ATOM 506 O THR A 31 7.072 13.001 -1.558 1.00 0.00 O ATOM 507 CB THR A 31 4.694 13.600 -4.074 1.00 0.00 C ATOM 508 OG1 THR A 31 4.503 12.534 -4.993 1.00 0.00 O ATOM 509 CG2 THR A 31 4.283 14.920 -4.727 1.00 0.00 C ATOM 0 H THR A 31 7.322 12.348 -4.894 1.00 0.00 H new ATOM 0 HA THR A 31 6.412 14.674 -3.336 1.00 0.00 H new ATOM 0 HB THR A 31 4.082 13.430 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.558 12.489 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.232 14.873 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.431 15.737 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.893 15.093 -5.614 1.00 0.00 H new ATOM 517 N VAL A 32 5.940 11.471 -2.662 1.00 0.00 N ATOM 518 CA VAL A 32 6.155 10.454 -1.595 1.00 0.00 C ATOM 519 C VAL A 32 5.167 9.295 -1.797 1.00 0.00 C ATOM 520 O VAL A 32 5.569 8.153 -1.859 1.00 0.00 O ATOM 521 CB VAL A 32 5.967 11.112 -0.209 1.00 0.00 C ATOM 522 CG1 VAL A 32 5.184 10.195 0.743 1.00 0.00 C ATOM 523 CG2 VAL A 32 7.343 11.393 0.400 1.00 0.00 C ATOM 0 H VAL A 32 5.396 11.148 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 32 7.169 10.059 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 32 5.404 12.036 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.069 10.687 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.200 9.988 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.727 9.259 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.220 11.857 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.891 10.457 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.900 12.065 -0.253 1.00 0.00 H new ATOM 533 N PRO A 33 3.903 9.623 -1.890 1.00 0.00 N ATOM 534 CA PRO A 33 2.843 8.620 -2.080 1.00 0.00 C ATOM 535 C PRO A 33 2.818 8.138 -3.533 1.00 0.00 C ATOM 536 O PRO A 33 3.296 8.808 -4.427 1.00 0.00 O ATOM 537 CB PRO A 33 1.561 9.379 -1.723 1.00 0.00 C ATOM 538 CG PRO A 33 1.882 10.882 -1.891 1.00 0.00 C ATOM 539 CD PRO A 33 3.416 11.017 -1.820 1.00 0.00 C ATOM 0 HA PRO A 33 2.981 7.726 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.740 9.082 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.252 9.160 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.504 11.254 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.405 11.470 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.802 11.616 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.731 11.504 -0.897 1.00 0.00 H new ATOM 547 N VAL A 34 2.270 6.977 -3.775 1.00 0.00 N ATOM 548 CA VAL A 34 2.224 6.458 -5.166 1.00 0.00 C ATOM 549 C VAL A 34 1.023 5.520 -5.336 1.00 0.00 C ATOM 550 O VAL A 34 0.100 5.814 -6.068 1.00 0.00 O ATOM 551 CB VAL A 34 3.518 5.702 -5.472 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.497 5.219 -6.923 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.712 6.637 -5.264 1.00 0.00 C ATOM 0 H VAL A 34 1.854 6.369 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 34 2.120 7.294 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 34 3.605 4.844 -4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.419 4.680 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.645 4.556 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.411 6.076 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.636 6.101 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.624 7.494 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.728 6.983 -4.230 1.00 0.00 H new ATOM 563 N LYS A 35 1.024 4.389 -4.676 1.00 0.00 N ATOM 564 CA LYS A 35 -0.127 3.448 -4.821 1.00 0.00 C ATOM 565 C LYS A 35 -0.159 2.452 -3.653 1.00 0.00 C ATOM 566 O LYS A 35 0.546 2.598 -2.674 1.00 0.00 O ATOM 567 CB LYS A 35 0.009 2.681 -6.137 1.00 0.00 C ATOM 568 CG LYS A 35 -0.782 3.402 -7.230 1.00 0.00 C ATOM 569 CD LYS A 35 0.176 3.891 -8.317 1.00 0.00 C ATOM 570 CE LYS A 35 -0.627 4.474 -9.482 1.00 0.00 C ATOM 571 NZ LYS A 35 -0.813 3.430 -10.529 1.00 0.00 N ATOM 0 H LYS A 35 1.766 4.079 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.053 4.023 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.059 2.608 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.361 1.663 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.524 2.729 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.326 4.245 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.848 4.647 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.797 3.066 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.596 4.827 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.107 5.336 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.359 3.826 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.116 3.114 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.327 2.621 -10.125 1.00 0.00 H new ATOM 585 N ARG A 36 -0.980 1.437 -3.762 1.00 0.00 N ATOM 586 CA ARG A 36 -1.079 0.414 -2.678 1.00 0.00 C ATOM 587 C ARG A 36 -1.698 -0.863 -3.255 1.00 0.00 C ATOM 588 O ARG A 36 -2.301 -0.844 -4.308 1.00 0.00 O ATOM 589 CB ARG A 36 -1.975 0.941 -1.553 1.00 0.00 C ATOM 590 CG ARG A 36 -2.277 -0.189 -0.566 1.00 0.00 C ATOM 591 CD ARG A 36 -2.855 0.396 0.726 1.00 0.00 C ATOM 592 NE ARG A 36 -2.136 -0.179 1.897 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.032 0.509 3.001 1.00 0.00 C ATOM 594 NH1 ARG A 36 -2.984 1.330 3.351 1.00 0.00 N ATOM 595 NH2 ARG A 36 -0.975 0.378 3.756 1.00 0.00 N ATOM 0 H ARG A 36 -1.590 1.273 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.086 0.204 -2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.482 1.766 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.904 1.333 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.984 -0.891 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.367 -0.748 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.756 1.482 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.920 0.173 0.794 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.725 -1.111 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.810 1.434 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.902 1.868 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.230 -0.263 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.895 0.916 4.619 1.00 0.00 H new ATOM 609 N GLY A 37 -1.557 -1.970 -2.578 1.00 0.00 N ATOM 610 CA GLY A 37 -2.148 -3.237 -3.105 1.00 0.00 C ATOM 611 C GLY A 37 -2.288 -4.259 -1.974 1.00 0.00 C ATOM 612 O GLY A 37 -2.008 -3.974 -0.828 1.00 0.00 O ATOM 0 H GLY A 37 -1.063 -2.054 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.124 -3.036 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.516 -3.641 -3.896 1.00 0.00 H new ATOM 616 N CYS A 38 -2.715 -5.453 -2.289 1.00 0.00 N ATOM 617 CA CYS A 38 -2.864 -6.496 -1.234 1.00 0.00 C ATOM 618 C CYS A 38 -1.529 -7.220 -1.059 1.00 0.00 C ATOM 619 O CYS A 38 -0.586 -6.976 -1.785 1.00 0.00 O ATOM 620 CB CYS A 38 -3.939 -7.501 -1.650 1.00 0.00 C ATOM 621 SG CYS A 38 -5.255 -7.520 -0.408 1.00 0.00 S ATOM 0 H CYS A 38 -2.967 -5.751 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.157 -6.028 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.347 -7.232 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.504 -8.495 -1.750 1.00 0.00 H new ATOM 626 N ILE A 39 -1.431 -8.101 -0.101 1.00 0.00 N ATOM 627 CA ILE A 39 -0.141 -8.818 0.102 1.00 0.00 C ATOM 628 C ILE A 39 -0.387 -10.160 0.798 1.00 0.00 C ATOM 629 O ILE A 39 -1.417 -10.389 1.399 1.00 0.00 O ATOM 630 CB ILE A 39 0.785 -7.926 0.952 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.699 -7.133 0.023 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.652 -8.765 1.900 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.621 -6.248 0.862 1.00 0.00 C ATOM 0 H ILE A 39 -2.180 -8.353 0.544 1.00 0.00 H new ATOM 0 HA ILE A 39 0.330 -9.021 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 39 0.164 -7.259 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.288 -7.812 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.105 -6.520 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.294 -8.106 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.010 -9.336 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.269 -9.450 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.277 -5.679 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.021 -5.561 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.223 -6.872 1.522 1.00 0.00 H new ATOM 645 N ASP A 40 0.573 -11.041 0.728 1.00 0.00 N ATOM 646 CA ASP A 40 0.438 -12.367 1.390 1.00 0.00 C ATOM 647 C ASP A 40 1.591 -12.524 2.382 1.00 0.00 C ATOM 648 O ASP A 40 1.440 -13.075 3.454 1.00 0.00 O ATOM 649 CB ASP A 40 0.508 -13.477 0.338 1.00 0.00 C ATOM 650 CG ASP A 40 -0.442 -14.609 0.730 1.00 0.00 C ATOM 651 OD1 ASP A 40 -0.080 -15.388 1.595 1.00 0.00 O ATOM 652 OD2 ASP A 40 -1.518 -14.677 0.159 1.00 0.00 O ATOM 0 H ASP A 40 1.454 -10.896 0.235 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.518 -12.435 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.237 -13.083 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.528 -13.854 0.259 1.00 0.00 H new ATOM 657 N VAL A 41 2.740 -12.019 2.027 1.00 0.00 N ATOM 658 CA VAL A 41 3.922 -12.101 2.928 1.00 0.00 C ATOM 659 C VAL A 41 4.686 -10.779 2.837 1.00 0.00 C ATOM 660 O VAL A 41 5.002 -10.312 1.761 1.00 0.00 O ATOM 661 CB VAL A 41 4.829 -13.251 2.484 1.00 0.00 C ATOM 662 CG1 VAL A 41 5.916 -13.478 3.536 1.00 0.00 C ATOM 663 CG2 VAL A 41 4.000 -14.527 2.327 1.00 0.00 C ATOM 0 H VAL A 41 2.911 -11.547 1.139 1.00 0.00 H new ATOM 0 HA VAL A 41 3.602 -12.281 3.954 1.00 0.00 H new ATOM 0 HB VAL A 41 5.291 -12.999 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.562 -14.297 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.509 -12.570 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.452 -13.729 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.647 -15.345 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.536 -14.779 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.225 -14.367 1.578 1.00 0.00 H new ATOM 673 N CYS A 42 4.972 -10.158 3.949 1.00 0.00 N ATOM 674 CA CYS A 42 5.700 -8.858 3.901 1.00 0.00 C ATOM 675 C CYS A 42 7.108 -9.016 4.483 1.00 0.00 C ATOM 676 O CYS A 42 7.300 -8.893 5.677 1.00 0.00 O ATOM 677 CB CYS A 42 4.932 -7.815 4.715 1.00 0.00 C ATOM 678 SG CYS A 42 5.749 -6.209 4.557 1.00 0.00 S ATOM 0 H CYS A 42 4.735 -10.492 4.883 1.00 0.00 H new ATOM 0 HA CYS A 42 5.778 -8.535 2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.903 -7.748 4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.891 -8.113 5.763 1.00 0.00 H new ATOM 683 N PRO A 43 8.056 -9.271 3.617 1.00 0.00 N ATOM 684 CA PRO A 43 9.466 -9.435 4.008 1.00 0.00 C ATOM 685 C PRO A 43 10.111 -8.061 4.219 1.00 0.00 C ATOM 686 O PRO A 43 9.436 -7.078 4.447 1.00 0.00 O ATOM 687 CB PRO A 43 10.089 -10.151 2.805 1.00 0.00 C ATOM 688 CG PRO A 43 9.175 -9.845 1.595 1.00 0.00 C ATOM 689 CD PRO A 43 7.809 -9.422 2.168 1.00 0.00 C ATOM 0 HA PRO A 43 9.599 -9.986 4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.104 -9.797 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.153 -11.225 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.599 -9.051 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.072 -10.722 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.462 -8.489 1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.044 -10.173 1.970 1.00 0.00 H new ATOM 697 N LYS A 44 11.411 -7.982 4.139 1.00 0.00 N ATOM 698 CA LYS A 44 12.088 -6.667 4.329 1.00 0.00 C ATOM 699 C LYS A 44 11.733 -5.742 3.160 1.00 0.00 C ATOM 700 O LYS A 44 11.173 -6.169 2.169 1.00 0.00 O ATOM 701 CB LYS A 44 13.602 -6.876 4.376 1.00 0.00 C ATOM 702 CG LYS A 44 14.142 -6.426 5.735 1.00 0.00 C ATOM 703 CD LYS A 44 13.556 -7.311 6.837 1.00 0.00 C ATOM 704 CE LYS A 44 13.921 -8.772 6.568 1.00 0.00 C ATOM 705 NZ LYS A 44 13.973 -9.516 7.858 1.00 0.00 N ATOM 0 H LYS A 44 12.033 -8.769 3.951 1.00 0.00 H new ATOM 0 HA LYS A 44 11.757 -6.216 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.839 -7.927 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.082 -6.310 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.230 -6.488 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.881 -5.383 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.941 -7.002 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.473 -7.197 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.185 -9.225 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.885 -8.830 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.221 -10.509 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.691 -9.088 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.044 -9.471 8.323 1.00 0.00 H new ATOM 719 N ASN A 45 12.051 -4.481 3.267 1.00 0.00 N ATOM 720 CA ASN A 45 11.728 -3.535 2.159 1.00 0.00 C ATOM 721 C ASN A 45 12.969 -3.324 1.288 1.00 0.00 C ATOM 722 O ASN A 45 13.963 -4.009 1.430 1.00 0.00 O ATOM 723 CB ASN A 45 11.286 -2.194 2.749 1.00 0.00 C ATOM 724 CG ASN A 45 10.066 -2.411 3.646 1.00 0.00 C ATOM 725 OD1 ASN A 45 9.215 -3.224 3.347 1.00 0.00 O ATOM 726 ND2 ASN A 45 9.945 -1.713 4.742 1.00 0.00 N ATOM 0 H ASN A 45 12.520 -4.064 4.072 1.00 0.00 H new ATOM 0 HA ASN A 45 10.924 -3.949 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.100 -1.751 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.043 -1.495 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.136 -1.850 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.660 -1.030 4.993 1.00 0.00 H new ATOM 733 N SER A 46 12.921 -2.380 0.386 1.00 0.00 N ATOM 734 CA SER A 46 14.097 -2.128 -0.492 1.00 0.00 C ATOM 735 C SER A 46 14.405 -0.630 -0.513 1.00 0.00 C ATOM 736 O SER A 46 13.685 0.170 0.054 1.00 0.00 O ATOM 737 CB SER A 46 13.788 -2.604 -1.911 1.00 0.00 C ATOM 738 OG SER A 46 13.390 -3.969 -1.871 1.00 0.00 O ATOM 0 H SER A 46 12.118 -1.773 0.220 1.00 0.00 H new ATOM 0 HA SER A 46 14.960 -2.672 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.996 -1.995 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.666 -2.488 -2.546 1.00 0.00 H new ATOM 0 HG SER A 46 13.189 -4.278 -2.779 1.00 0.00 H new ATOM 744 N ALA A 47 15.466 -0.242 -1.163 1.00 0.00 N ATOM 745 CA ALA A 47 15.817 1.205 -1.220 1.00 0.00 C ATOM 746 C ALA A 47 15.317 1.797 -2.540 1.00 0.00 C ATOM 747 O ALA A 47 15.908 2.706 -3.087 1.00 0.00 O ATOM 748 CB ALA A 47 17.335 1.365 -1.131 1.00 0.00 C ATOM 0 H ALA A 47 16.106 -0.864 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 47 15.348 1.727 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.592 2.423 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.691 0.942 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.805 0.844 -1.965 1.00 0.00 H new ATOM 754 N LEU A 48 14.233 1.285 -3.056 1.00 0.00 N ATOM 755 CA LEU A 48 13.698 1.816 -4.340 1.00 0.00 C ATOM 756 C LEU A 48 12.212 2.154 -4.183 1.00 0.00 C ATOM 757 O LEU A 48 11.703 3.053 -4.823 1.00 0.00 O ATOM 758 CB LEU A 48 13.866 0.762 -5.437 1.00 0.00 C ATOM 759 CG LEU A 48 15.185 0.998 -6.176 1.00 0.00 C ATOM 760 CD1 LEU A 48 15.332 -0.030 -7.298 1.00 0.00 C ATOM 761 CD2 LEU A 48 15.188 2.407 -6.774 1.00 0.00 C ATOM 0 H LEU A 48 13.696 0.522 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 48 14.246 2.718 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.855 -0.237 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.031 0.813 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 48 16.016 0.896 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.271 0.138 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.328 -1.034 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.501 0.072 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.127 2.577 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.357 2.508 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.082 3.141 -5.976 1.00 0.00 H new ATOM 773 N VAL A 49 11.510 1.442 -3.342 1.00 0.00 N ATOM 774 CA VAL A 49 10.060 1.732 -3.158 1.00 0.00 C ATOM 775 C VAL A 49 9.696 1.614 -1.678 1.00 0.00 C ATOM 776 O VAL A 49 10.179 0.746 -0.978 1.00 0.00 O ATOM 777 CB VAL A 49 9.234 0.724 -3.959 1.00 0.00 C ATOM 778 CG1 VAL A 49 9.635 0.790 -5.432 1.00 0.00 C ATOM 779 CG2 VAL A 49 9.494 -0.686 -3.424 1.00 0.00 C ATOM 0 H VAL A 49 11.877 0.676 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 49 9.848 2.743 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 49 8.175 0.963 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.046 0.071 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.452 1.794 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.694 0.552 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.906 -1.406 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.553 -0.923 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.208 -0.735 -2.373 1.00 0.00 H new ATOM 789 N LYS A 50 8.842 2.475 -1.196 1.00 0.00 N ATOM 790 CA LYS A 50 8.446 2.400 0.237 1.00 0.00 C ATOM 791 C LYS A 50 7.308 1.393 0.388 1.00 0.00 C ATOM 792 O LYS A 50 6.151 1.711 0.196 1.00 0.00 O ATOM 793 CB LYS A 50 7.978 3.769 0.717 1.00 0.00 C ATOM 794 CG LYS A 50 8.936 4.289 1.791 1.00 0.00 C ATOM 795 CD LYS A 50 10.060 5.088 1.130 1.00 0.00 C ATOM 796 CE LYS A 50 10.325 6.361 1.935 1.00 0.00 C ATOM 797 NZ LYS A 50 9.538 7.487 1.357 1.00 0.00 N ATOM 0 H LYS A 50 8.403 3.224 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 50 9.302 2.085 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.940 4.466 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.967 3.699 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.397 4.918 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.352 3.455 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.966 4.484 1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.785 5.343 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.049 6.208 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.388 6.600 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.718 8.353 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.822 7.637 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.524 7.258 1.395 1.00 0.00 H new ATOM 811 N TYR A 51 7.631 0.181 0.728 1.00 0.00 N ATOM 812 CA TYR A 51 6.580 -0.861 0.889 1.00 0.00 C ATOM 813 C TYR A 51 5.976 -0.775 2.291 1.00 0.00 C ATOM 814 O TYR A 51 6.420 -1.442 3.204 1.00 0.00 O ATOM 815 CB TYR A 51 7.211 -2.242 0.704 1.00 0.00 C ATOM 816 CG TYR A 51 6.774 -2.837 -0.613 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.087 -2.192 -1.815 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.061 -4.042 -0.631 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.686 -2.750 -3.034 1.00 0.00 C ATOM 820 CE2 TYR A 51 5.662 -4.602 -1.850 1.00 0.00 C ATOM 821 CZ TYR A 51 5.976 -3.956 -3.051 1.00 0.00 C ATOM 822 OH TYR A 51 5.586 -4.509 -4.253 1.00 0.00 O ATOM 0 H TYR A 51 8.584 -0.137 0.903 1.00 0.00 H new ATOM 0 HA TYR A 51 5.798 -0.703 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.298 -2.161 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.918 -2.898 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.638 -1.263 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.819 -4.540 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.924 -2.250 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.112 -5.532 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 51 4.611 -4.461 -4.334 1.00 0.00 H new ATOM 832 N VAL A 52 4.964 0.031 2.478 1.00 0.00 N ATOM 833 CA VAL A 52 4.352 0.125 3.837 1.00 0.00 C ATOM 834 C VAL A 52 3.238 -0.920 3.960 1.00 0.00 C ATOM 835 O VAL A 52 2.070 -0.615 3.822 1.00 0.00 O ATOM 836 CB VAL A 52 3.781 1.527 4.058 1.00 0.00 C ATOM 837 CG1 VAL A 52 4.901 2.562 3.938 1.00 0.00 C ATOM 838 CG2 VAL A 52 2.712 1.816 3.006 1.00 0.00 C ATOM 0 H VAL A 52 4.540 0.620 1.761 1.00 0.00 H new ATOM 0 HA VAL A 52 5.114 -0.064 4.593 1.00 0.00 H new ATOM 0 HB VAL A 52 3.339 1.582 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.492 3.560 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.665 2.360 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.345 2.504 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.306 2.815 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.155 1.758 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.911 1.081 3.090 1.00 0.00 H new ATOM 848 N CYS A 53 3.599 -2.152 4.208 1.00 0.00 N ATOM 849 CA CYS A 53 2.575 -3.234 4.329 1.00 0.00 C ATOM 850 C CYS A 53 1.962 -3.229 5.729 1.00 0.00 C ATOM 851 O CYS A 53 2.549 -2.742 6.675 1.00 0.00 O ATOM 852 CB CYS A 53 3.241 -4.587 4.079 1.00 0.00 C ATOM 853 SG CYS A 53 4.446 -4.910 5.390 1.00 0.00 S ATOM 0 H CYS A 53 4.564 -2.457 4.333 1.00 0.00 H new ATOM 0 HA CYS A 53 1.788 -3.061 3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.490 -5.377 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.734 -4.589 3.107 1.00 0.00 H new ATOM 858 N CYS A 54 0.785 -3.779 5.869 1.00 0.00 N ATOM 859 CA CYS A 54 0.135 -3.820 7.208 1.00 0.00 C ATOM 860 C CYS A 54 -0.966 -4.874 7.213 1.00 0.00 C ATOM 861 O CYS A 54 -1.361 -5.389 6.182 1.00 0.00 O ATOM 862 CB CYS A 54 -0.490 -2.462 7.536 1.00 0.00 C ATOM 863 SG CYS A 54 -1.687 -2.018 6.253 1.00 0.00 S ATOM 0 H CYS A 54 0.247 -4.201 5.113 1.00 0.00 H new ATOM 0 HA CYS A 54 0.893 -4.064 7.952 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.982 -2.502 8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.286 -1.700 7.603 1.00 0.00 H new ATOM 868 N ASN A 55 -1.479 -5.175 8.369 1.00 0.00 N ATOM 869 CA ASN A 55 -2.576 -6.167 8.469 1.00 0.00 C ATOM 870 C ASN A 55 -3.673 -5.578 9.361 1.00 0.00 C ATOM 871 O ASN A 55 -4.517 -6.281 9.876 1.00 0.00 O ATOM 872 CB ASN A 55 -2.039 -7.481 9.058 1.00 0.00 C ATOM 873 CG ASN A 55 -2.045 -7.425 10.588 1.00 0.00 C ATOM 874 OD1 ASN A 55 -1.280 -6.694 11.186 1.00 0.00 O ATOM 875 ND2 ASN A 55 -2.883 -8.174 11.249 1.00 0.00 N ATOM 0 H ASN A 55 -1.181 -4.771 9.257 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.986 -6.385 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.650 -8.316 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.026 -7.660 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.897 -8.147 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.525 -8.787 10.747 1.00 0.00 H new ATOM 882 N THR A 56 -3.653 -4.285 9.552 1.00 0.00 N ATOM 883 CA THR A 56 -4.683 -3.644 10.416 1.00 0.00 C ATOM 884 C THR A 56 -5.997 -3.501 9.643 1.00 0.00 C ATOM 885 O THR A 56 -6.213 -4.146 8.637 1.00 0.00 O ATOM 886 CB THR A 56 -4.193 -2.261 10.848 1.00 0.00 C ATOM 887 OG1 THR A 56 -2.781 -2.195 10.705 1.00 0.00 O ATOM 888 CG2 THR A 56 -4.572 -2.016 12.309 1.00 0.00 C ATOM 0 H THR A 56 -2.968 -3.647 9.147 1.00 0.00 H new ATOM 0 HA THR A 56 -4.852 -4.266 11.295 1.00 0.00 H new ATOM 0 HB THR A 56 -4.658 -1.499 10.223 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.465 -1.309 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.222 -1.030 12.615 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.655 -2.066 12.417 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.109 -2.777 12.937 1.00 0.00 H new ATOM 896 N ASP A 57 -6.883 -2.667 10.118 1.00 0.00 N ATOM 897 CA ASP A 57 -8.196 -2.485 9.433 1.00 0.00 C ATOM 898 C ASP A 57 -7.989 -2.070 7.973 1.00 0.00 C ATOM 899 O ASP A 57 -8.771 -2.413 7.109 1.00 0.00 O ATOM 900 CB ASP A 57 -9.000 -1.402 10.155 1.00 0.00 C ATOM 901 CG ASP A 57 -10.001 -2.054 11.109 1.00 0.00 C ATOM 902 OD1 ASP A 57 -10.290 -3.226 10.922 1.00 0.00 O ATOM 903 OD2 ASP A 57 -10.462 -1.373 12.010 1.00 0.00 O ATOM 0 H ASP A 57 -6.753 -2.101 10.956 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.737 -3.431 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.329 -0.746 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.526 -0.781 9.430 1.00 0.00 H new ATOM 908 N ARG A 58 -6.955 -1.326 7.686 1.00 0.00 N ATOM 909 CA ARG A 58 -6.733 -0.893 6.281 1.00 0.00 C ATOM 910 C ARG A 58 -5.886 -1.929 5.544 1.00 0.00 C ATOM 911 O ARG A 58 -5.184 -1.616 4.604 1.00 0.00 O ATOM 912 CB ARG A 58 -6.019 0.462 6.263 1.00 0.00 C ATOM 913 CG ARG A 58 -4.884 0.460 7.289 1.00 0.00 C ATOM 914 CD ARG A 58 -3.967 1.659 7.036 1.00 0.00 C ATOM 915 NE ARG A 58 -4.575 2.884 7.627 1.00 0.00 N ATOM 916 CZ ARG A 58 -3.816 3.892 7.958 1.00 0.00 C ATOM 917 NH1 ARG A 58 -2.912 3.751 8.888 1.00 0.00 N ATOM 918 NH2 ARG A 58 -3.962 5.043 7.359 1.00 0.00 N ATOM 0 H ARG A 58 -6.261 -1.002 8.359 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.698 -0.799 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.622 0.662 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.726 1.260 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.292 0.507 8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.316 -0.468 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.986 1.479 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.816 1.795 5.965 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.583 2.934 7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.798 2.852 9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.319 4.540 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.669 5.154 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.369 5.831 7.618 1.00 0.00 H new ATOM 932 N CYS A 59 -5.961 -3.164 5.951 1.00 0.00 N ATOM 933 CA CYS A 59 -5.175 -4.224 5.259 1.00 0.00 C ATOM 934 C CYS A 59 -5.784 -5.593 5.566 1.00 0.00 C ATOM 935 O CYS A 59 -6.584 -6.104 4.808 1.00 0.00 O ATOM 936 CB CYS A 59 -3.703 -4.201 5.706 1.00 0.00 C ATOM 937 SG CYS A 59 -3.418 -2.852 6.879 1.00 0.00 S ATOM 0 H CYS A 59 -6.532 -3.486 6.732 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.210 -4.035 4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.442 -5.153 6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.055 -4.079 4.838 1.00 0.00 H new ATOM 942 N ASN A 60 -5.417 -6.196 6.662 1.00 0.00 N ATOM 943 CA ASN A 60 -5.990 -7.532 6.995 1.00 0.00 C ATOM 944 C ASN A 60 -6.999 -7.376 8.140 1.00 0.00 C ATOM 945 O ASN A 60 -7.203 -6.256 8.574 1.00 0.00 O ATOM 946 CB ASN A 60 -4.845 -8.502 7.377 1.00 0.00 C ATOM 947 CG ASN A 60 -5.067 -9.135 8.760 1.00 0.00 C ATOM 948 OD1 ASN A 60 -5.302 -8.444 9.731 1.00 0.00 O ATOM 949 ND2 ASN A 60 -5.003 -10.432 8.887 1.00 0.00 N ATOM 950 OXT ASN A 60 -7.549 -8.382 8.558 1.00 0.00 O ATOM 0 H ASN A 60 -4.750 -5.825 7.338 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.512 -7.948 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.770 -9.288 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.897 -7.964 7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.150 -10.863 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.806 -11.015 8.074 1.00 0.00 H new