USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 44 ASN : amide:sc= 1.19 K(o=2,f=-0.23) USER MOD Set 1.2: A 45 ASN : amide:sc= 0.788 K(o=2,f=-3.1!) USER MOD Single : A 1 LYS N :NH3+ 170:sc= -0.196 (180deg=-0.506) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.227) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -1:sc= 0.3 USER MOD Single : A 7 TYR OH : rot -165:sc= 1.3 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 17 HIS : no HD1:sc= -0.566 K(o=-0.57,f=0.15) USER MOD Single : A 22 ASN : amide:sc= 0.0438 K(o=0.044,f=-4.4!) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc=-0.00318 (180deg=-0.102) USER MOD Single : A 25 HIS : no HE2:sc= -1.59! C(o=-1.6!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0317) USER MOD Single : A 30 ASN : amide:sc= -0.0393 K(o=-0.039,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.467 K(o=0.47,f=-9.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -2.35! C(o=-2.4!,f=-3.8!) USER MOD Single : A 61 TYR OH : rot 58:sc= 0.0971 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.24) USER MOD Single : A 67 ASN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.888 -4.770 -5.919 1.00 24.41 N ATOM 2 CA LYS A 1 -15.116 -5.261 -4.784 1.00 44.53 C ATOM 3 C LYS A 1 -15.083 -6.784 -4.748 1.00 43.45 C ATOM 4 O LYS A 1 -16.134 -7.437 -4.715 1.00 62.45 O ATOM 5 CB LYS A 1 -15.631 -4.669 -3.483 1.00 33.11 C ATOM 6 CG LYS A 1 -17.100 -4.713 -3.390 1.00 32.13 C ATOM 7 CD LYS A 1 -17.611 -4.057 -2.165 1.00 12.12 C ATOM 8 CE LYS A 1 -19.079 -3.867 -2.317 1.00 42.33 C ATOM 9 NZ LYS A 1 -19.808 -5.143 -2.466 1.00 60.40 N ATOM 0 H1 LYS A 1 -16.034 -3.745 -5.822 1.00 24.41 H new ATOM 0 H2 LYS A 1 -15.371 -4.965 -6.800 1.00 24.41 H new ATOM 0 H3 LYS A 1 -16.810 -5.250 -5.945 1.00 24.41 H new ATOM 0 HA LYS A 1 -14.085 -4.929 -4.907 1.00 44.53 H new ATOM 0 HB2 LYS A 1 -15.200 -5.214 -2.643 1.00 33.11 H new ATOM 0 HB3 LYS A 1 -15.295 -3.636 -3.399 1.00 33.11 H new ATOM 0 HG2 LYS A 1 -17.531 -4.227 -4.265 1.00 32.13 H new ATOM 0 HG3 LYS A 1 -17.431 -5.751 -3.407 1.00 32.13 H new ATOM 0 HD2 LYS A 1 -17.396 -4.668 -1.289 1.00 12.12 H new ATOM 0 HD3 LYS A 1 -17.117 -3.097 -2.014 1.00 12.12 H new ATOM 0 HE2 LYS A 1 -19.464 -3.333 -1.448 1.00 42.33 H new ATOM 0 HE3 LYS A 1 -19.272 -3.240 -3.187 1.00 42.33 H new ATOM 0 HZ1 LYS A 1 -20.829 -4.973 -2.364 1.00 60.40 H new ATOM 0 HZ2 LYS A 1 -19.616 -5.545 -3.406 1.00 60.40 H new ATOM 0 HZ3 LYS A 1 -19.493 -5.810 -1.733 1.00 60.40 H new ATOM 23 N PRO A 2 -13.875 -7.376 -4.776 1.00 43.45 N ATOM 24 CA PRO A 2 -13.710 -8.828 -4.775 1.00 22.02 C ATOM 25 C PRO A 2 -14.130 -9.452 -3.445 1.00 41.24 C ATOM 26 O PRO A 2 -13.632 -9.082 -2.379 1.00 44.24 O ATOM 27 CB PRO A 2 -12.206 -9.022 -5.007 1.00 30.14 C ATOM 28 CG PRO A 2 -11.579 -7.758 -4.525 1.00 52.30 C ATOM 29 CD PRO A 2 -12.572 -6.672 -4.807 1.00 70.32 C ATOM 0 HA PRO A 2 -14.332 -9.310 -5.529 1.00 22.02 H new ATOM 0 HB2 PRO A 2 -11.829 -9.885 -4.458 1.00 30.14 H new ATOM 0 HB3 PRO A 2 -11.988 -9.195 -6.061 1.00 30.14 H new ATOM 0 HG2 PRO A 2 -11.355 -7.815 -3.460 1.00 52.30 H new ATOM 0 HG3 PRO A 2 -10.637 -7.569 -5.039 1.00 52.30 H new ATOM 0 HD2 PRO A 2 -12.525 -5.881 -4.058 1.00 70.32 H new ATOM 0 HD3 PRO A 2 -12.391 -6.205 -5.775 1.00 70.32 H new ATOM 37 N VAL A 3 -15.057 -10.377 -3.503 1.00 4.45 N ATOM 38 CA VAL A 3 -15.514 -11.034 -2.311 1.00 21.11 C ATOM 39 C VAL A 3 -14.562 -12.148 -1.929 1.00 21.43 C ATOM 40 O VAL A 3 -14.523 -13.212 -2.558 1.00 31.41 O ATOM 41 CB VAL A 3 -16.958 -11.581 -2.444 1.00 53.22 C ATOM 42 CG1 VAL A 3 -17.395 -12.290 -1.160 1.00 20.24 C ATOM 43 CG2 VAL A 3 -17.917 -10.452 -2.764 1.00 61.33 C ATOM 0 H VAL A 3 -15.507 -10.689 -4.364 1.00 4.45 H new ATOM 0 HA VAL A 3 -15.532 -10.283 -1.521 1.00 21.11 H new ATOM 0 HB VAL A 3 -16.973 -12.305 -3.258 1.00 53.22 H new ATOM 0 HG11 VAL A 3 -18.412 -12.665 -1.279 1.00 20.24 H new ATOM 0 HG12 VAL A 3 -16.722 -13.124 -0.958 1.00 20.24 H new ATOM 0 HG13 VAL A 3 -17.363 -11.587 -0.327 1.00 20.24 H new ATOM 0 HG21 VAL A 3 -18.928 -10.848 -2.855 1.00 61.33 H new ATOM 0 HG22 VAL A 3 -17.888 -9.712 -1.964 1.00 61.33 H new ATOM 0 HG23 VAL A 3 -17.625 -9.982 -3.703 1.00 61.33 H new ATOM 53 N SER A 4 -13.748 -11.867 -0.965 1.00 4.15 N ATOM 54 CA SER A 4 -12.838 -12.833 -0.412 1.00 51.03 C ATOM 55 C SER A 4 -12.704 -12.595 1.080 1.00 52.14 C ATOM 56 O SER A 4 -12.488 -13.526 1.853 1.00 44.51 O ATOM 57 CB SER A 4 -11.478 -12.729 -1.099 1.00 62.23 C ATOM 58 OG SER A 4 -11.606 -12.952 -2.502 1.00 34.33 O ATOM 0 H SER A 4 -13.691 -10.947 -0.528 1.00 4.15 H new ATOM 0 HA SER A 4 -13.226 -13.838 -0.579 1.00 51.03 H new ATOM 0 HB2 SER A 4 -11.048 -11.743 -0.920 1.00 62.23 H new ATOM 0 HB3 SER A 4 -10.791 -13.459 -0.670 1.00 62.23 H new ATOM 0 HG SER A 4 -10.726 -12.880 -2.926 1.00 34.33 H new ATOM 64 N LEU A 5 -12.850 -11.331 1.466 1.00 24.24 N ATOM 65 CA LEU A 5 -12.764 -10.883 2.839 1.00 5.31 C ATOM 66 C LEU A 5 -11.398 -11.139 3.406 1.00 73.31 C ATOM 67 O LEU A 5 -11.189 -12.020 4.247 1.00 31.32 O ATOM 68 CB LEU A 5 -13.897 -11.417 3.731 1.00 62.53 C ATOM 69 CG LEU A 5 -15.311 -11.008 3.313 1.00 12.43 C ATOM 70 CD1 LEU A 5 -16.340 -11.597 4.258 1.00 45.32 C ATOM 71 CD2 LEU A 5 -15.437 -9.491 3.266 1.00 22.12 C ATOM 0 H LEU A 5 -13.036 -10.574 0.808 1.00 24.24 H new ATOM 0 HA LEU A 5 -12.913 -9.803 2.827 1.00 5.31 H new ATOM 0 HB2 LEU A 5 -13.842 -12.505 3.746 1.00 62.53 H new ATOM 0 HB3 LEU A 5 -13.725 -11.075 4.751 1.00 62.53 H new ATOM 0 HG LEU A 5 -15.499 -11.401 2.314 1.00 12.43 H new ATOM 0 HD11 LEU A 5 -17.339 -11.294 3.943 1.00 45.32 H new ATOM 0 HD12 LEU A 5 -16.269 -12.685 4.242 1.00 45.32 H new ATOM 0 HD13 LEU A 5 -16.154 -11.236 5.270 1.00 45.32 H new ATOM 0 HD21 LEU A 5 -16.449 -9.219 2.967 1.00 22.12 H new ATOM 0 HD22 LEU A 5 -15.227 -9.078 4.252 1.00 22.12 H new ATOM 0 HD23 LEU A 5 -14.725 -9.089 2.545 1.00 22.12 H new ATOM 83 N SER A 6 -10.458 -10.431 2.859 1.00 12.41 N ATOM 84 CA SER A 6 -9.082 -10.483 3.236 1.00 60.31 C ATOM 85 C SER A 6 -8.445 -9.171 2.815 1.00 22.30 C ATOM 86 O SER A 6 -8.912 -8.531 1.862 1.00 1.13 O ATOM 87 CB SER A 6 -8.387 -11.672 2.542 1.00 41.24 C ATOM 88 OG SER A 6 -9.017 -12.910 2.893 1.00 35.24 O ATOM 0 H SER A 6 -10.640 -9.771 2.103 1.00 12.41 H new ATOM 0 HA SER A 6 -8.980 -10.624 4.312 1.00 60.31 H new ATOM 0 HB2 SER A 6 -8.420 -11.537 1.461 1.00 41.24 H new ATOM 0 HB3 SER A 6 -7.336 -11.701 2.828 1.00 41.24 H new ATOM 0 HG SER A 6 -9.751 -12.738 3.519 1.00 35.24 H new ATOM 94 N TYR A 7 -7.420 -8.762 3.503 1.00 52.12 N ATOM 95 CA TYR A 7 -6.767 -7.513 3.216 1.00 3.35 C ATOM 96 C TYR A 7 -5.277 -7.735 3.357 1.00 62.20 C ATOM 97 O TYR A 7 -4.737 -7.749 4.461 1.00 52.32 O ATOM 98 CB TYR A 7 -7.290 -6.441 4.189 1.00 64.20 C ATOM 99 CG TYR A 7 -6.916 -5.006 3.877 1.00 53.45 C ATOM 100 CD1 TYR A 7 -7.484 -4.345 2.792 1.00 61.02 C ATOM 101 CD2 TYR A 7 -6.032 -4.304 4.677 1.00 53.24 C ATOM 102 CE1 TYR A 7 -7.177 -3.029 2.516 1.00 14.44 C ATOM 103 CE2 TYR A 7 -5.727 -2.986 4.413 1.00 30.44 C ATOM 104 CZ TYR A 7 -6.301 -2.354 3.332 1.00 74.45 C ATOM 105 OH TYR A 7 -6.005 -1.034 3.078 1.00 32.41 O ATOM 0 H TYR A 7 -7.011 -9.282 4.279 1.00 52.12 H new ATOM 0 HA TYR A 7 -6.976 -7.164 2.205 1.00 3.35 H new ATOM 0 HB2 TYR A 7 -8.377 -6.511 4.222 1.00 64.20 H new ATOM 0 HB3 TYR A 7 -6.925 -6.679 5.188 1.00 64.20 H new ATOM 0 HD1 TYR A 7 -8.178 -4.872 2.154 1.00 61.02 H new ATOM 0 HD2 TYR A 7 -5.574 -4.797 5.522 1.00 53.24 H new ATOM 0 HE1 TYR A 7 -7.621 -2.533 1.666 1.00 14.44 H new ATOM 0 HE2 TYR A 7 -5.040 -2.450 5.052 1.00 30.44 H new ATOM 0 HH TYR A 7 -5.207 -0.774 3.585 1.00 32.41 H new ATOM 115 N ARG A 8 -4.633 -7.967 2.245 1.00 34.25 N ATOM 116 CA ARG A 8 -3.237 -8.359 2.235 1.00 0.13 C ATOM 117 C ARG A 8 -2.322 -7.160 2.230 1.00 63.41 C ATOM 118 O ARG A 8 -1.337 -7.112 2.979 1.00 22.20 O ATOM 119 CB ARG A 8 -2.947 -9.225 1.018 1.00 52.43 C ATOM 120 CG ARG A 8 -3.809 -10.463 0.912 1.00 2.34 C ATOM 121 CD ARG A 8 -3.457 -11.265 -0.325 1.00 70.14 C ATOM 122 NE ARG A 8 -4.317 -12.435 -0.487 1.00 23.52 N ATOM 123 CZ ARG A 8 -4.326 -13.230 -1.559 1.00 73.34 C ATOM 124 NH1 ARG A 8 -3.455 -13.035 -2.544 1.00 45.45 N ATOM 125 NH2 ARG A 8 -5.193 -14.226 -1.635 1.00 42.22 N ATOM 0 H ARG A 8 -5.054 -7.892 1.319 1.00 34.25 H new ATOM 0 HA ARG A 8 -3.048 -8.927 3.146 1.00 0.13 H new ATOM 0 HB2 ARG A 8 -3.083 -8.624 0.119 1.00 52.43 H new ATOM 0 HB3 ARG A 8 -1.900 -9.527 1.044 1.00 52.43 H new ATOM 0 HG2 ARG A 8 -3.676 -11.080 1.800 1.00 2.34 H new ATOM 0 HG3 ARG A 8 -4.860 -10.177 0.877 1.00 2.34 H new ATOM 0 HD2 ARG A 8 -3.543 -10.628 -1.205 1.00 70.14 H new ATOM 0 HD3 ARG A 8 -2.417 -11.586 -0.264 1.00 70.14 H new ATOM 0 HE ARG A 8 -4.957 -12.661 0.275 1.00 23.52 H new ATOM 0 HH11 ARG A 8 -2.777 -12.276 -2.482 1.00 45.45 H new ATOM 0 HH12 ARG A 8 -3.465 -13.645 -3.362 1.00 45.45 H new ATOM 0 HH21 ARG A 8 -5.854 -14.386 -0.875 1.00 42.22 H new ATOM 0 HH22 ARG A 8 -5.201 -14.834 -2.454 1.00 42.22 H new ATOM 139 N CYS A 9 -2.624 -6.210 1.404 1.00 41.43 N ATOM 140 CA CYS A 9 -1.797 -5.049 1.279 1.00 0.24 C ATOM 141 C CYS A 9 -2.396 -3.933 2.117 1.00 62.12 C ATOM 142 O CYS A 9 -3.564 -3.579 1.921 1.00 43.13 O ATOM 143 CB CYS A 9 -1.731 -4.627 -0.189 1.00 22.21 C ATOM 144 SG CYS A 9 -1.475 -6.024 -1.346 1.00 74.22 S ATOM 0 H CYS A 9 -3.446 -6.215 0.799 1.00 41.43 H new ATOM 0 HA CYS A 9 -0.787 -5.266 1.628 1.00 0.24 H new ATOM 0 HB2 CYS A 9 -2.656 -4.114 -0.452 1.00 22.21 H new ATOM 0 HB3 CYS A 9 -0.921 -3.909 -0.315 1.00 22.21 H new ATOM 149 N PRO A 10 -1.623 -3.389 3.093 1.00 1.32 N ATOM 150 CA PRO A 10 -2.077 -2.283 3.962 1.00 20.43 C ATOM 151 C PRO A 10 -2.597 -1.088 3.163 1.00 21.42 C ATOM 152 O PRO A 10 -3.505 -0.383 3.599 1.00 22.55 O ATOM 153 CB PRO A 10 -0.817 -1.901 4.736 1.00 4.13 C ATOM 154 CG PRO A 10 -0.012 -3.152 4.766 1.00 74.44 C ATOM 155 CD PRO A 10 -0.256 -3.825 3.448 1.00 63.50 C ATOM 0 HA PRO A 10 -2.911 -2.581 4.598 1.00 20.43 H new ATOM 0 HB2 PRO A 10 -0.277 -1.092 4.244 1.00 4.13 H new ATOM 0 HB3 PRO A 10 -1.057 -1.558 5.742 1.00 4.13 H new ATOM 0 HG2 PRO A 10 1.047 -2.933 4.903 1.00 74.44 H new ATOM 0 HG3 PRO A 10 -0.315 -3.792 5.594 1.00 74.44 H new ATOM 0 HD2 PRO A 10 0.472 -3.517 2.698 1.00 63.50 H new ATOM 0 HD3 PRO A 10 -0.188 -4.910 3.531 1.00 63.50 H new ATOM 163 N CYS A 11 -2.036 -0.881 2.005 1.00 34.15 N ATOM 164 CA CYS A 11 -2.466 0.157 1.123 1.00 74.14 C ATOM 165 C CYS A 11 -2.707 -0.398 -0.263 1.00 21.23 C ATOM 166 O CYS A 11 -1.793 -0.523 -1.068 1.00 34.42 O ATOM 167 CB CYS A 11 -1.459 1.296 1.071 1.00 43.33 C ATOM 168 SG CYS A 11 -1.226 2.164 2.652 1.00 71.34 S ATOM 0 H CYS A 11 -1.259 -1.436 1.647 1.00 34.15 H new ATOM 0 HA CYS A 11 -3.402 0.559 1.511 1.00 74.14 H new ATOM 0 HB2 CYS A 11 -0.498 0.901 0.742 1.00 43.33 H new ATOM 0 HB3 CYS A 11 -1.781 2.016 0.319 1.00 43.33 H new ATOM 173 N ARG A 12 -3.924 -0.787 -0.518 1.00 54.14 N ATOM 174 CA ARG A 12 -4.280 -1.315 -1.809 1.00 4.24 C ATOM 175 C ARG A 12 -4.952 -0.220 -2.625 1.00 0.03 C ATOM 176 O ARG A 12 -4.841 -0.176 -3.859 1.00 44.21 O ATOM 177 CB ARG A 12 -5.197 -2.541 -1.653 1.00 4.42 C ATOM 178 CG ARG A 12 -5.538 -3.238 -2.962 1.00 0.33 C ATOM 179 CD ARG A 12 -6.387 -4.475 -2.730 1.00 43.40 C ATOM 180 NE ARG A 12 -6.689 -5.168 -3.986 1.00 61.01 N ATOM 181 CZ ARG A 12 -7.235 -6.389 -4.097 1.00 25.21 C ATOM 182 NH1 ARG A 12 -7.556 -7.094 -3.014 1.00 73.32 N ATOM 183 NH2 ARG A 12 -7.454 -6.902 -5.300 1.00 53.30 N ATOM 0 H ARG A 12 -4.691 -0.749 0.153 1.00 54.14 H new ATOM 0 HA ARG A 12 -3.383 -1.644 -2.334 1.00 4.24 H new ATOM 0 HB2 ARG A 12 -4.716 -3.258 -0.988 1.00 4.42 H new ATOM 0 HB3 ARG A 12 -6.123 -2.229 -1.169 1.00 4.42 H new ATOM 0 HG2 ARG A 12 -6.071 -2.547 -3.615 1.00 0.33 H new ATOM 0 HG3 ARG A 12 -4.619 -3.518 -3.476 1.00 0.33 H new ATOM 0 HD2 ARG A 12 -5.864 -5.154 -2.056 1.00 43.40 H new ATOM 0 HD3 ARG A 12 -7.317 -4.191 -2.238 1.00 43.40 H new ATOM 0 HE ARG A 12 -6.464 -4.679 -4.852 1.00 61.01 H new ATOM 0 HH11 ARG A 12 -7.388 -6.707 -2.085 1.00 73.32 H new ATOM 0 HH12 ARG A 12 -7.970 -8.021 -3.113 1.00 73.32 H new ATOM 0 HH21 ARG A 12 -7.208 -6.369 -6.134 1.00 53.30 H new ATOM 0 HH22 ARG A 12 -7.869 -7.829 -5.391 1.00 53.30 H new ATOM 197 N PHE A 13 -5.622 0.671 -1.918 1.00 35.12 N ATOM 198 CA PHE A 13 -6.316 1.794 -2.504 1.00 1.22 C ATOM 199 C PHE A 13 -5.556 3.062 -2.138 1.00 1.31 C ATOM 200 O PHE A 13 -5.184 3.263 -0.972 1.00 71.43 O ATOM 201 CB PHE A 13 -7.748 1.876 -1.962 1.00 10.44 C ATOM 202 CG PHE A 13 -8.556 0.616 -2.162 1.00 75.15 C ATOM 203 CD1 PHE A 13 -9.204 0.376 -3.362 1.00 74.05 C ATOM 204 CD2 PHE A 13 -8.663 -0.327 -1.149 1.00 32.41 C ATOM 205 CE1 PHE A 13 -9.944 -0.775 -3.550 1.00 4.44 C ATOM 206 CE2 PHE A 13 -9.399 -1.480 -1.330 1.00 0.35 C ATOM 207 CZ PHE A 13 -10.041 -1.706 -2.532 1.00 33.25 C ATOM 0 H PHE A 13 -5.698 0.630 -0.902 1.00 35.12 H new ATOM 0 HA PHE A 13 -6.365 1.676 -3.587 1.00 1.22 H new ATOM 0 HB2 PHE A 13 -7.709 2.105 -0.897 1.00 10.44 H new ATOM 0 HB3 PHE A 13 -8.262 2.705 -2.448 1.00 10.44 H new ATOM 0 HD1 PHE A 13 -9.130 1.098 -4.161 1.00 74.05 H new ATOM 0 HD2 PHE A 13 -8.164 -0.156 -0.207 1.00 32.41 H new ATOM 0 HE1 PHE A 13 -10.446 -0.948 -4.490 1.00 4.44 H new ATOM 0 HE2 PHE A 13 -9.473 -2.205 -0.533 1.00 0.35 H new ATOM 0 HZ PHE A 13 -10.617 -2.608 -2.676 1.00 33.25 H new ATOM 217 N PHE A 14 -5.328 3.908 -3.099 1.00 70.01 N ATOM 218 CA PHE A 14 -4.516 5.076 -2.881 1.00 74.33 C ATOM 219 C PHE A 14 -5.306 6.346 -3.073 1.00 35.42 C ATOM 220 O PHE A 14 -6.252 6.389 -3.870 1.00 10.03 O ATOM 221 CB PHE A 14 -3.313 5.084 -3.820 1.00 14.24 C ATOM 222 CG PHE A 14 -2.448 3.859 -3.736 1.00 1.04 C ATOM 223 CD1 PHE A 14 -1.728 3.572 -2.592 1.00 52.41 C ATOM 224 CD2 PHE A 14 -2.359 2.996 -4.809 1.00 11.42 C ATOM 225 CE1 PHE A 14 -0.933 2.447 -2.522 1.00 64.14 C ATOM 226 CE2 PHE A 14 -1.567 1.873 -4.749 1.00 33.24 C ATOM 227 CZ PHE A 14 -0.850 1.597 -3.605 1.00 54.41 C ATOM 0 H PHE A 14 -5.693 3.813 -4.047 1.00 70.01 H new ATOM 0 HA PHE A 14 -4.170 5.035 -1.848 1.00 74.33 H new ATOM 0 HB2 PHE A 14 -3.669 5.192 -4.845 1.00 14.24 H new ATOM 0 HB3 PHE A 14 -2.703 5.960 -3.600 1.00 14.24 H new ATOM 0 HD1 PHE A 14 -1.788 4.236 -1.743 1.00 52.41 H new ATOM 0 HD2 PHE A 14 -2.919 3.205 -5.708 1.00 11.42 H new ATOM 0 HE1 PHE A 14 -0.377 2.232 -1.621 1.00 64.14 H new ATOM 0 HE2 PHE A 14 -1.507 1.208 -5.598 1.00 33.24 H new ATOM 0 HZ PHE A 14 -0.225 0.718 -3.557 1.00 54.41 H new ATOM 237 N GLU A 15 -4.944 7.368 -2.313 1.00 71.33 N ATOM 238 CA GLU A 15 -5.523 8.672 -2.457 1.00 35.12 C ATOM 239 C GLU A 15 -5.064 9.170 -3.831 1.00 34.55 C ATOM 240 O GLU A 15 -5.854 9.612 -4.643 1.00 34.21 O ATOM 241 CB GLU A 15 -4.940 9.559 -1.359 1.00 14.21 C ATOM 242 CG GLU A 15 -5.765 10.774 -0.960 1.00 55.43 C ATOM 243 CD GLU A 15 -6.128 11.705 -2.086 1.00 64.40 C ATOM 244 OE1 GLU A 15 -5.289 12.509 -2.502 1.00 62.32 O ATOM 245 OE2 GLU A 15 -7.270 11.642 -2.558 1.00 35.32 O ATOM 0 H GLU A 15 -4.237 7.304 -1.580 1.00 71.33 H new ATOM 0 HA GLU A 15 -6.610 8.675 -2.379 1.00 35.12 H new ATOM 0 HB2 GLU A 15 -4.784 8.946 -0.471 1.00 14.21 H new ATOM 0 HB3 GLU A 15 -3.959 9.904 -1.684 1.00 14.21 H new ATOM 0 HG2 GLU A 15 -6.684 10.429 -0.486 1.00 55.43 H new ATOM 0 HG3 GLU A 15 -5.211 11.338 -0.209 1.00 55.43 H new ATOM 252 N SER A 16 -3.740 9.055 -4.044 1.00 3.21 N ATOM 253 CA SER A 16 -3.023 9.369 -5.306 1.00 34.12 C ATOM 254 C SER A 16 -3.194 10.801 -5.863 1.00 30.41 C ATOM 255 O SER A 16 -2.585 11.150 -6.867 1.00 63.42 O ATOM 256 CB SER A 16 -3.227 8.282 -6.384 1.00 54.35 C ATOM 257 OG SER A 16 -4.597 8.004 -6.628 1.00 65.24 O ATOM 0 H SER A 16 -3.108 8.727 -3.313 1.00 3.21 H new ATOM 0 HA SER A 16 -1.975 9.353 -5.005 1.00 34.12 H new ATOM 0 HB2 SER A 16 -2.755 8.603 -7.312 1.00 54.35 H new ATOM 0 HB3 SER A 16 -2.725 7.367 -6.071 1.00 54.35 H new ATOM 0 HG SER A 16 -4.673 7.312 -7.318 1.00 65.24 H new ATOM 263 N HIS A 17 -3.965 11.619 -5.200 1.00 1.41 N ATOM 264 CA HIS A 17 -4.164 12.997 -5.614 1.00 31.34 C ATOM 265 C HIS A 17 -3.451 13.917 -4.653 1.00 24.43 C ATOM 266 O HIS A 17 -3.769 15.094 -4.544 1.00 0.43 O ATOM 267 CB HIS A 17 -5.659 13.336 -5.669 1.00 21.14 C ATOM 268 CG HIS A 17 -6.383 12.613 -6.747 1.00 32.43 C ATOM 269 ND1 HIS A 17 -6.478 13.093 -8.019 1.00 44.01 N ATOM 270 CD2 HIS A 17 -7.015 11.429 -6.753 1.00 23.41 C ATOM 271 CE1 HIS A 17 -7.123 12.249 -8.762 1.00 32.31 C ATOM 272 NE2 HIS A 17 -7.468 11.220 -8.024 1.00 20.41 N ATOM 0 H HIS A 17 -4.476 11.357 -4.357 1.00 1.41 H new ATOM 0 HA HIS A 17 -3.752 13.130 -6.614 1.00 31.34 H new ATOM 0 HB2 HIS A 17 -6.115 13.095 -4.709 1.00 21.14 H new ATOM 0 HB3 HIS A 17 -5.777 14.409 -5.818 1.00 21.14 H new ATOM 0 HD2 HIS A 17 -7.142 10.766 -5.910 1.00 23.41 H new ATOM 0 HE1 HIS A 17 -7.340 12.372 -9.813 1.00 32.31 H new ATOM 0 HE2 HIS A 17 -7.987 10.403 -8.345 1.00 20.41 H new ATOM 281 N VAL A 18 -2.434 13.383 -4.013 1.00 73.00 N ATOM 282 CA VAL A 18 -1.700 14.097 -3.000 1.00 44.40 C ATOM 283 C VAL A 18 -0.506 14.789 -3.621 1.00 52.31 C ATOM 284 O VAL A 18 0.153 14.231 -4.507 1.00 44.10 O ATOM 285 CB VAL A 18 -1.211 13.136 -1.868 1.00 11.03 C ATOM 286 CG1 VAL A 18 -0.498 13.901 -0.758 1.00 13.41 C ATOM 287 CG2 VAL A 18 -2.380 12.352 -1.300 1.00 53.44 C ATOM 0 H VAL A 18 -2.094 12.437 -4.184 1.00 73.00 H new ATOM 0 HA VAL A 18 -2.370 14.836 -2.559 1.00 44.40 H new ATOM 0 HB VAL A 18 -0.496 12.440 -2.307 1.00 11.03 H new ATOM 0 HG11 VAL A 18 -0.171 13.203 0.013 1.00 13.41 H new ATOM 0 HG12 VAL A 18 0.368 14.418 -1.171 1.00 13.41 H new ATOM 0 HG13 VAL A 18 -1.181 14.630 -0.322 1.00 13.41 H new ATOM 0 HG21 VAL A 18 -2.024 11.687 -0.513 1.00 53.44 H new ATOM 0 HG22 VAL A 18 -3.115 13.043 -0.887 1.00 53.44 H new ATOM 0 HG23 VAL A 18 -2.842 11.762 -2.092 1.00 53.44 H new ATOM 297 N ALA A 19 -0.261 16.003 -3.187 1.00 30.41 N ATOM 298 CA ALA A 19 0.858 16.783 -3.651 1.00 14.23 C ATOM 299 C ALA A 19 1.945 16.824 -2.578 1.00 65.34 C ATOM 300 O ALA A 19 1.658 16.651 -1.391 1.00 52.22 O ATOM 301 CB ALA A 19 0.406 18.190 -4.005 1.00 23.44 C ATOM 0 H ALA A 19 -0.839 16.480 -2.495 1.00 30.41 H new ATOM 0 HA ALA A 19 1.269 16.317 -4.547 1.00 14.23 H new ATOM 0 HB1 ALA A 19 1.261 18.770 -4.354 1.00 23.44 H new ATOM 0 HB2 ALA A 19 -0.347 18.143 -4.792 1.00 23.44 H new ATOM 0 HB3 ALA A 19 -0.020 18.668 -3.123 1.00 23.44 H new ATOM 307 N ARG A 20 3.169 17.082 -3.003 1.00 40.33 N ATOM 308 CA ARG A 20 4.360 17.121 -2.143 1.00 33.34 C ATOM 309 C ARG A 20 4.257 18.221 -1.053 1.00 35.44 C ATOM 310 O ARG A 20 4.957 18.174 -0.047 1.00 2.25 O ATOM 311 CB ARG A 20 5.582 17.334 -3.057 1.00 53.00 C ATOM 312 CG ARG A 20 6.972 17.381 -2.421 1.00 63.13 C ATOM 313 CD ARG A 20 7.301 16.145 -1.628 1.00 14.15 C ATOM 314 NE ARG A 20 8.752 15.927 -1.527 1.00 33.33 N ATOM 315 CZ ARG A 20 9.401 15.376 -0.497 1.00 51.32 C ATOM 316 NH1 ARG A 20 8.787 15.173 0.671 1.00 64.23 N ATOM 317 NH2 ARG A 20 10.681 15.071 -0.637 1.00 43.24 N ATOM 0 H ARG A 20 3.378 17.277 -3.982 1.00 40.33 H new ATOM 0 HA ARG A 20 4.456 16.182 -1.598 1.00 33.34 H new ATOM 0 HB2 ARG A 20 5.584 16.535 -3.799 1.00 53.00 H new ATOM 0 HB3 ARG A 20 5.433 18.269 -3.596 1.00 53.00 H new ATOM 0 HG2 ARG A 20 7.719 17.512 -3.204 1.00 63.13 H new ATOM 0 HG3 ARG A 20 7.037 18.252 -1.769 1.00 63.13 H new ATOM 0 HD2 ARG A 20 6.877 16.232 -0.628 1.00 14.15 H new ATOM 0 HD3 ARG A 20 6.836 15.278 -2.097 1.00 14.15 H new ATOM 0 HE ARG A 20 9.318 16.226 -2.321 1.00 33.33 H new ATOM 0 HH11 ARG A 20 7.809 15.440 0.786 1.00 64.23 H new ATOM 0 HH12 ARG A 20 9.296 14.751 1.448 1.00 64.23 H new ATOM 0 HH21 ARG A 20 11.156 15.257 -1.520 1.00 43.24 H new ATOM 0 HH22 ARG A 20 11.193 14.650 0.138 1.00 43.24 H new ATOM 331 N ALA A 21 3.369 19.177 -1.255 1.00 13.24 N ATOM 332 CA ALA A 21 3.171 20.265 -0.301 1.00 52.43 C ATOM 333 C ALA A 21 2.162 19.901 0.794 1.00 3.12 C ATOM 334 O ALA A 21 2.375 20.199 1.965 1.00 71.03 O ATOM 335 CB ALA A 21 2.701 21.512 -1.021 1.00 10.40 C ATOM 0 H ALA A 21 2.767 19.226 -2.077 1.00 13.24 H new ATOM 0 HA ALA A 21 4.133 20.449 0.177 1.00 52.43 H new ATOM 0 HB1 ALA A 21 2.557 22.316 -0.299 1.00 10.40 H new ATOM 0 HB2 ALA A 21 3.449 21.812 -1.755 1.00 10.40 H new ATOM 0 HB3 ALA A 21 1.758 21.306 -1.528 1.00 10.40 H new ATOM 341 N ASN A 22 1.080 19.240 0.404 1.00 22.22 N ATOM 342 CA ASN A 22 -0.028 18.908 1.330 1.00 12.40 C ATOM 343 C ASN A 22 0.270 17.623 2.097 1.00 21.55 C ATOM 344 O ASN A 22 -0.497 17.195 2.956 1.00 40.24 O ATOM 345 CB ASN A 22 -1.353 18.787 0.532 1.00 72.40 C ATOM 346 CG ASN A 22 -2.614 18.471 1.368 1.00 41.02 C ATOM 347 OD1 ASN A 22 -2.735 18.838 2.551 1.00 13.45 O ATOM 348 ND2 ASN A 22 -3.557 17.801 0.748 1.00 51.43 N ATOM 0 H ASN A 22 0.933 18.915 -0.552 1.00 22.22 H new ATOM 0 HA ASN A 22 -0.130 19.709 2.062 1.00 12.40 H new ATOM 0 HB2 ASN A 22 -1.520 19.722 -0.003 1.00 72.40 H new ATOM 0 HB3 ASN A 22 -1.233 18.006 -0.219 1.00 72.40 H new ATOM 0 HD21 ASN A 22 -4.421 17.566 1.236 1.00 51.43 H new ATOM 0 HD22 ASN A 22 -3.426 17.515 -0.222 1.00 51.43 H new ATOM 355 N VAL A 23 1.380 17.018 1.804 1.00 14.34 N ATOM 356 CA VAL A 23 1.738 15.821 2.497 1.00 75.35 C ATOM 357 C VAL A 23 2.524 16.100 3.797 1.00 11.40 C ATOM 358 O VAL A 23 3.640 16.619 3.789 1.00 52.22 O ATOM 359 CB VAL A 23 2.407 14.755 1.597 1.00 11.00 C ATOM 360 CG1 VAL A 23 3.641 15.278 0.894 1.00 41.22 C ATOM 361 CG2 VAL A 23 2.729 13.537 2.411 1.00 24.22 C ATOM 0 H VAL A 23 2.047 17.330 1.098 1.00 14.34 H new ATOM 0 HA VAL A 23 0.794 15.371 2.805 1.00 75.35 H new ATOM 0 HB VAL A 23 1.697 14.491 0.813 1.00 11.00 H new ATOM 0 HG11 VAL A 23 4.070 14.489 0.276 1.00 41.22 H new ATOM 0 HG12 VAL A 23 3.369 16.125 0.264 1.00 41.22 H new ATOM 0 HG13 VAL A 23 4.374 15.598 1.635 1.00 41.22 H new ATOM 0 HG21 VAL A 23 3.200 12.788 1.774 1.00 24.22 H new ATOM 0 HG22 VAL A 23 3.410 13.808 3.218 1.00 24.22 H new ATOM 0 HG23 VAL A 23 1.811 13.129 2.833 1.00 24.22 H new ATOM 371 N LYS A 24 1.879 15.776 4.889 1.00 75.23 N ATOM 372 CA LYS A 24 2.337 15.936 6.227 1.00 75.24 C ATOM 373 C LYS A 24 3.426 14.933 6.552 1.00 21.12 C ATOM 374 O LYS A 24 4.507 15.282 7.025 1.00 71.31 O ATOM 375 CB LYS A 24 1.131 15.597 7.091 1.00 64.52 C ATOM 376 CG LYS A 24 1.272 15.788 8.549 1.00 40.53 C ATOM 377 CD LYS A 24 1.375 17.230 8.851 1.00 41.12 C ATOM 378 CE LYS A 24 1.317 17.454 10.300 1.00 74.05 C ATOM 379 NZ LYS A 24 2.467 16.862 11.023 1.00 23.20 N ATOM 0 H LYS A 24 0.948 15.362 4.851 1.00 75.23 H new ATOM 0 HA LYS A 24 2.735 16.938 6.386 1.00 75.24 H new ATOM 0 HB2 LYS A 24 0.290 16.202 6.750 1.00 64.52 H new ATOM 0 HB3 LYS A 24 0.868 14.555 6.910 1.00 64.52 H new ATOM 0 HG2 LYS A 24 0.415 15.358 9.067 1.00 40.53 H new ATOM 0 HG3 LYS A 24 2.158 15.266 8.911 1.00 40.53 H new ATOM 0 HD2 LYS A 24 2.309 17.626 8.452 1.00 41.12 H new ATOM 0 HD3 LYS A 24 0.565 17.770 8.360 1.00 41.12 H new ATOM 0 HE2 LYS A 24 1.285 18.526 10.496 1.00 74.05 H new ATOM 0 HE3 LYS A 24 0.392 17.030 10.691 1.00 74.05 H new ATOM 0 HZ1 LYS A 24 2.455 17.179 12.014 1.00 23.20 H new ATOM 0 HZ2 LYS A 24 2.401 15.825 10.990 1.00 23.20 H new ATOM 0 HZ3 LYS A 24 3.354 17.167 10.573 1.00 23.20 H new ATOM 393 N HIS A 25 3.124 13.699 6.280 1.00 71.51 N ATOM 394 CA HIS A 25 3.935 12.586 6.690 1.00 21.25 C ATOM 395 C HIS A 25 4.090 11.625 5.551 1.00 51.35 C ATOM 396 O HIS A 25 3.168 11.435 4.801 1.00 65.45 O ATOM 397 CB HIS A 25 3.229 11.901 7.882 1.00 13.43 C ATOM 398 CG HIS A 25 3.845 10.623 8.387 1.00 33.03 C ATOM 399 ND1 HIS A 25 4.643 10.560 9.498 1.00 10.04 N ATOM 400 CD2 HIS A 25 3.722 9.351 7.939 1.00 34.42 C ATOM 401 CE1 HIS A 25 4.991 9.314 9.724 1.00 33.02 C ATOM 402 NE2 HIS A 25 4.444 8.551 8.793 1.00 34.13 N ATOM 0 H HIS A 25 2.291 13.430 5.757 1.00 71.51 H new ATOM 0 HA HIS A 25 4.929 12.922 6.987 1.00 21.25 H new ATOM 0 HB2 HIS A 25 3.191 12.610 8.709 1.00 13.43 H new ATOM 0 HB3 HIS A 25 2.199 11.692 7.593 1.00 13.43 H new ATOM 0 HD1 HIS A 25 4.925 11.360 10.065 1.00 10.04 H new ATOM 0 HD2 HIS A 25 3.162 9.026 7.074 1.00 34.42 H new ATOM 0 HE1 HIS A 25 5.618 8.971 10.534 1.00 33.02 H new ATOM 411 N LEU A 26 5.251 11.031 5.450 1.00 12.41 N ATOM 412 CA LEU A 26 5.547 10.036 4.447 1.00 51.54 C ATOM 413 C LEU A 26 6.311 8.885 5.053 1.00 1.41 C ATOM 414 O LEU A 26 7.439 9.048 5.504 1.00 2.55 O ATOM 415 CB LEU A 26 6.334 10.642 3.289 1.00 44.15 C ATOM 416 CG LEU A 26 5.554 11.519 2.335 1.00 40.11 C ATOM 417 CD1 LEU A 26 6.501 12.237 1.405 1.00 14.41 C ATOM 418 CD2 LEU A 26 4.607 10.648 1.520 1.00 21.12 C ATOM 0 H LEU A 26 6.034 11.228 6.074 1.00 12.41 H new ATOM 0 HA LEU A 26 4.601 9.661 4.056 1.00 51.54 H new ATOM 0 HB2 LEU A 26 7.153 11.230 3.703 1.00 44.15 H new ATOM 0 HB3 LEU A 26 6.782 9.829 2.718 1.00 44.15 H new ATOM 0 HG LEU A 26 4.986 12.256 2.903 1.00 40.11 H new ATOM 0 HD11 LEU A 26 5.932 12.867 0.721 1.00 14.41 H new ATOM 0 HD12 LEU A 26 7.182 12.857 1.987 1.00 14.41 H new ATOM 0 HD13 LEU A 26 7.074 11.506 0.834 1.00 14.41 H new ATOM 0 HD21 LEU A 26 4.041 11.273 0.830 1.00 21.12 H new ATOM 0 HD22 LEU A 26 5.182 9.914 0.956 1.00 21.12 H new ATOM 0 HD23 LEU A 26 3.919 10.133 2.190 1.00 21.12 H new ATOM 430 N LYS A 27 5.694 7.747 5.086 1.00 1.12 N ATOM 431 CA LYS A 27 6.291 6.570 5.596 1.00 24.11 C ATOM 432 C LYS A 27 6.264 5.546 4.493 1.00 24.45 C ATOM 433 O LYS A 27 5.238 5.360 3.871 1.00 53.32 O ATOM 434 CB LYS A 27 5.491 6.051 6.789 1.00 0.15 C ATOM 435 CG LYS A 27 6.171 4.953 7.521 1.00 12.41 C ATOM 436 CD LYS A 27 7.459 5.454 8.100 1.00 21.34 C ATOM 437 CE LYS A 27 8.242 4.350 8.672 1.00 53.12 C ATOM 438 NZ LYS A 27 7.602 3.715 9.846 1.00 3.04 N ATOM 0 H LYS A 27 4.740 7.615 4.750 1.00 1.12 H new ATOM 0 HA LYS A 27 7.311 6.769 5.926 1.00 24.11 H new ATOM 0 HB2 LYS A 27 5.303 6.875 7.477 1.00 0.15 H new ATOM 0 HB3 LYS A 27 4.520 5.699 6.441 1.00 0.15 H new ATOM 0 HG2 LYS A 27 5.526 4.578 8.315 1.00 12.41 H new ATOM 0 HG3 LYS A 27 6.364 4.119 6.847 1.00 12.41 H new ATOM 0 HD2 LYS A 27 8.040 5.954 7.325 1.00 21.34 H new ATOM 0 HD3 LYS A 27 7.251 6.196 8.871 1.00 21.34 H new ATOM 0 HE2 LYS A 27 8.403 3.594 7.904 1.00 53.12 H new ATOM 0 HE3 LYS A 27 9.224 4.724 8.962 1.00 53.12 H new ATOM 0 HZ1 LYS A 27 8.238 2.992 10.239 1.00 3.04 H new ATOM 0 HZ2 LYS A 27 7.410 4.437 10.569 1.00 3.04 H new ATOM 0 HZ3 LYS A 27 6.708 3.269 9.556 1.00 3.04 H new ATOM 452 N ILE A 28 7.355 4.896 4.230 1.00 5.14 N ATOM 453 CA ILE A 28 7.352 3.945 3.149 1.00 11.44 C ATOM 454 C ILE A 28 7.219 2.543 3.686 1.00 44.24 C ATOM 455 O ILE A 28 8.086 2.066 4.426 1.00 60.42 O ATOM 456 CB ILE A 28 8.607 4.043 2.269 1.00 73.31 C ATOM 457 CG1 ILE A 28 8.851 5.487 1.927 1.00 62.03 C ATOM 458 CG2 ILE A 28 8.380 3.295 0.979 1.00 55.21 C ATOM 459 CD1 ILE A 28 9.905 5.688 0.889 1.00 40.22 C ATOM 0 H ILE A 28 8.239 4.997 4.729 1.00 5.14 H new ATOM 0 HA ILE A 28 6.494 4.187 2.522 1.00 11.44 H new ATOM 0 HB ILE A 28 9.456 3.621 2.806 1.00 73.31 H new ATOM 0 HG12 ILE A 28 7.919 5.931 1.577 1.00 62.03 H new ATOM 0 HG13 ILE A 28 9.138 6.022 2.832 1.00 62.03 H new ATOM 0 HG21 ILE A 28 9.271 3.366 0.356 1.00 55.21 H new ATOM 0 HG22 ILE A 28 8.172 2.248 1.198 1.00 55.21 H new ATOM 0 HG23 ILE A 28 7.532 3.731 0.450 1.00 55.21 H new ATOM 0 HD11 ILE A 28 10.025 6.754 0.694 1.00 40.22 H new ATOM 0 HD12 ILE A 28 10.849 5.275 1.244 1.00 40.22 H new ATOM 0 HD13 ILE A 28 9.611 5.182 -0.031 1.00 40.22 H new ATOM 471 N LEU A 29 6.138 1.909 3.337 1.00 13.20 N ATOM 472 CA LEU A 29 5.840 0.587 3.745 1.00 71.30 C ATOM 473 C LEU A 29 6.103 -0.344 2.550 1.00 55.33 C ATOM 474 O LEU A 29 5.721 -0.044 1.414 1.00 63.24 O ATOM 475 CB LEU A 29 4.358 0.577 4.208 1.00 34.34 C ATOM 476 CG LEU A 29 3.788 -0.686 4.846 1.00 1.52 C ATOM 477 CD1 LEU A 29 2.455 -0.362 5.495 1.00 60.51 C ATOM 478 CD2 LEU A 29 3.584 -1.797 3.831 1.00 71.52 C ATOM 0 H LEU A 29 5.421 2.321 2.740 1.00 13.20 H new ATOM 0 HA LEU A 29 6.458 0.239 4.573 1.00 71.30 H new ATOM 0 HB2 LEU A 29 4.231 1.391 4.921 1.00 34.34 H new ATOM 0 HB3 LEU A 29 3.741 0.814 3.341 1.00 34.34 H new ATOM 0 HG LEU A 29 4.507 -1.035 5.587 1.00 1.52 H new ATOM 0 HD11 LEU A 29 2.044 -1.262 5.952 1.00 60.51 H new ATOM 0 HD12 LEU A 29 2.599 0.400 6.261 1.00 60.51 H new ATOM 0 HD13 LEU A 29 1.763 0.009 4.739 1.00 60.51 H new ATOM 0 HD21 LEU A 29 3.177 -2.676 4.331 1.00 71.52 H new ATOM 0 HD22 LEU A 29 2.889 -1.463 3.061 1.00 71.52 H new ATOM 0 HD23 LEU A 29 4.540 -2.051 3.372 1.00 71.52 H new ATOM 490 N ASN A 30 6.770 -1.433 2.793 1.00 2.05 N ATOM 491 CA ASN A 30 7.087 -2.365 1.738 1.00 73.43 C ATOM 492 C ASN A 30 6.480 -3.718 2.013 1.00 54.44 C ATOM 493 O ASN A 30 6.531 -4.230 3.134 1.00 63.10 O ATOM 494 CB ASN A 30 8.607 -2.470 1.540 1.00 51.45 C ATOM 495 CG ASN A 30 9.028 -3.488 0.490 1.00 14.32 C ATOM 496 OD1 ASN A 30 8.308 -3.760 -0.476 1.00 44.51 O ATOM 497 ND2 ASN A 30 10.195 -4.047 0.671 1.00 41.02 N ATOM 0 H ASN A 30 7.109 -1.704 3.716 1.00 2.05 H new ATOM 0 HA ASN A 30 6.654 -1.988 0.812 1.00 73.43 H new ATOM 0 HB2 ASN A 30 8.994 -1.491 1.257 1.00 51.45 H new ATOM 0 HB3 ASN A 30 9.069 -2.733 2.491 1.00 51.45 H new ATOM 0 HD21 ASN A 30 10.540 -4.735 0.001 1.00 41.02 H new ATOM 0 HD22 ASN A 30 10.761 -3.796 1.482 1.00 41.02 H new ATOM 504 N THR A 31 5.877 -4.280 1.006 1.00 15.21 N ATOM 505 CA THR A 31 5.296 -5.579 1.091 1.00 53.21 C ATOM 506 C THR A 31 5.595 -6.346 -0.201 1.00 43.55 C ATOM 507 O THR A 31 5.019 -6.055 -1.249 1.00 61.01 O ATOM 508 CB THR A 31 3.789 -5.497 1.308 1.00 22.42 C ATOM 509 OG1 THR A 31 3.522 -4.722 2.485 1.00 21.33 O ATOM 510 CG2 THR A 31 3.191 -6.875 1.469 1.00 74.12 C ATOM 0 H THR A 31 5.776 -3.839 0.092 1.00 15.21 H new ATOM 0 HA THR A 31 5.729 -6.100 1.945 1.00 53.21 H new ATOM 0 HB THR A 31 3.337 -5.024 0.436 1.00 22.42 H new ATOM 0 HG1 THR A 31 2.554 -4.666 2.627 1.00 21.33 H new ATOM 0 HG21 THR A 31 2.115 -6.789 1.622 1.00 74.12 H new ATOM 0 HG22 THR A 31 3.384 -7.462 0.571 1.00 74.12 H new ATOM 0 HG23 THR A 31 3.642 -7.369 2.330 1.00 74.12 H new ATOM 518 N PRO A 32 6.519 -7.308 -0.118 1.00 13.34 N ATOM 519 CA PRO A 32 6.983 -8.132 -1.253 1.00 34.14 C ATOM 520 C PRO A 32 5.854 -8.735 -2.091 1.00 33.24 C ATOM 521 O PRO A 32 5.909 -8.695 -3.317 1.00 53.14 O ATOM 522 CB PRO A 32 7.788 -9.238 -0.576 1.00 65.45 C ATOM 523 CG PRO A 32 8.286 -8.614 0.675 1.00 34.42 C ATOM 524 CD PRO A 32 7.218 -7.654 1.119 1.00 41.13 C ATOM 0 HA PRO A 32 7.546 -7.530 -1.966 1.00 34.14 H new ATOM 0 HB2 PRO A 32 7.168 -10.110 -0.367 1.00 65.45 H new ATOM 0 HB3 PRO A 32 8.610 -9.575 -1.207 1.00 65.45 H new ATOM 0 HG2 PRO A 32 8.473 -9.369 1.439 1.00 34.42 H new ATOM 0 HG3 PRO A 32 9.229 -8.095 0.503 1.00 34.42 H new ATOM 0 HD2 PRO A 32 6.545 -8.113 1.843 1.00 41.13 H new ATOM 0 HD3 PRO A 32 7.646 -6.772 1.596 1.00 41.13 H new ATOM 532 N ASN A 33 4.828 -9.267 -1.435 1.00 13.53 N ATOM 533 CA ASN A 33 3.714 -9.905 -2.159 1.00 42.54 C ATOM 534 C ASN A 33 2.779 -8.899 -2.805 1.00 25.35 C ATOM 535 O ASN A 33 1.895 -9.272 -3.578 1.00 20.21 O ATOM 536 CB ASN A 33 2.914 -10.884 -1.280 1.00 74.22 C ATOM 537 CG ASN A 33 3.701 -12.109 -0.879 1.00 32.14 C ATOM 538 OD1 ASN A 33 3.720 -13.109 -1.592 1.00 23.31 O ATOM 539 ND2 ASN A 33 4.327 -12.064 0.262 1.00 61.54 N ATOM 0 H ASN A 33 4.737 -9.274 -0.419 1.00 13.53 H new ATOM 0 HA ASN A 33 4.189 -10.480 -2.954 1.00 42.54 H new ATOM 0 HB2 ASN A 33 2.581 -10.365 -0.381 1.00 74.22 H new ATOM 0 HB3 ASN A 33 2.019 -11.196 -1.818 1.00 74.22 H new ATOM 0 HD21 ASN A 33 4.853 -12.875 0.587 1.00 61.54 H new ATOM 0 HD22 ASN A 33 4.291 -11.218 0.830 1.00 61.54 H new ATOM 546 N CYS A 34 2.969 -7.637 -2.513 1.00 73.41 N ATOM 547 CA CYS A 34 2.127 -6.618 -3.085 1.00 24.01 C ATOM 548 C CYS A 34 2.915 -5.713 -4.009 1.00 22.24 C ATOM 549 O CYS A 34 2.896 -5.894 -5.233 1.00 40.54 O ATOM 550 CB CYS A 34 1.437 -5.787 -2.003 1.00 21.00 C ATOM 551 SG CYS A 34 0.364 -6.728 -0.890 1.00 70.22 S ATOM 0 H CYS A 34 3.696 -7.292 -1.886 1.00 73.41 H new ATOM 0 HA CYS A 34 1.359 -7.128 -3.667 1.00 24.01 H new ATOM 0 HB2 CYS A 34 2.200 -5.284 -1.409 1.00 21.00 H new ATOM 0 HB3 CYS A 34 0.844 -5.010 -2.485 1.00 21.00 H new ATOM 556 N ALA A 35 3.637 -4.775 -3.399 1.00 20.44 N ATOM 557 CA ALA A 35 4.400 -3.733 -4.058 1.00 71.23 C ATOM 558 C ALA A 35 4.739 -2.726 -2.992 1.00 15.42 C ATOM 559 O ALA A 35 4.393 -2.942 -1.801 1.00 51.04 O ATOM 560 CB ALA A 35 3.551 -3.030 -5.123 1.00 44.44 C ATOM 0 H ALA A 35 3.705 -4.724 -2.383 1.00 20.44 H new ATOM 0 HA ALA A 35 5.282 -4.155 -4.541 1.00 71.23 H new ATOM 0 HB1 ALA A 35 4.143 -2.252 -5.605 1.00 44.44 H new ATOM 0 HB2 ALA A 35 3.229 -3.756 -5.870 1.00 44.44 H new ATOM 0 HB3 ALA A 35 2.676 -2.581 -4.653 1.00 44.44 H new ATOM 566 N LEU A 36 5.393 -1.655 -3.369 1.00 11.45 N ATOM 567 CA LEU A 36 5.628 -0.572 -2.447 1.00 13.33 C ATOM 568 C LEU A 36 4.366 0.189 -2.176 1.00 4.20 C ATOM 569 O LEU A 36 3.529 0.388 -3.064 1.00 42.22 O ATOM 570 CB LEU A 36 6.757 0.364 -2.883 1.00 62.24 C ATOM 571 CG LEU A 36 8.176 0.011 -2.403 1.00 31.44 C ATOM 572 CD1 LEU A 36 8.272 0.140 -0.895 1.00 63.34 C ATOM 573 CD2 LEU A 36 8.599 -1.379 -2.835 1.00 53.10 C ATOM 0 H LEU A 36 5.771 -1.510 -4.305 1.00 11.45 H new ATOM 0 HA LEU A 36 5.962 -1.033 -1.517 1.00 13.33 H new ATOM 0 HB2 LEU A 36 6.766 0.401 -3.972 1.00 62.24 H new ATOM 0 HB3 LEU A 36 6.520 1.368 -2.532 1.00 62.24 H new ATOM 0 HG LEU A 36 8.858 0.720 -2.871 1.00 31.44 H new ATOM 0 HD11 LEU A 36 9.282 -0.113 -0.572 1.00 63.34 H new ATOM 0 HD12 LEU A 36 8.043 1.165 -0.602 1.00 63.34 H new ATOM 0 HD13 LEU A 36 7.560 -0.539 -0.426 1.00 63.34 H new ATOM 0 HD21 LEU A 36 9.607 -1.582 -2.473 1.00 53.10 H new ATOM 0 HD22 LEU A 36 7.910 -2.114 -2.420 1.00 53.10 H new ATOM 0 HD23 LEU A 36 8.585 -1.442 -3.923 1.00 53.10 H new ATOM 585 N GLN A 37 4.239 0.589 -0.959 1.00 21.44 N ATOM 586 CA GLN A 37 3.079 1.266 -0.448 1.00 51.23 C ATOM 587 C GLN A 37 3.505 2.406 0.439 1.00 72.23 C ATOM 588 O GLN A 37 4.001 2.195 1.532 1.00 40.31 O ATOM 589 CB GLN A 37 2.237 0.269 0.322 1.00 53.23 C ATOM 590 CG GLN A 37 1.495 -0.690 -0.583 1.00 24.42 C ATOM 591 CD GLN A 37 1.103 -1.938 0.122 1.00 34.41 C ATOM 592 OE1 GLN A 37 0.053 -2.042 0.731 1.00 40.32 O ATOM 593 NE2 GLN A 37 1.929 -2.911 0.007 1.00 53.01 N ATOM 0 H GLN A 37 4.966 0.452 -0.257 1.00 21.44 H new ATOM 0 HA GLN A 37 2.489 1.677 -1.267 1.00 51.23 H new ATOM 0 HB2 GLN A 37 2.878 -0.297 0.997 1.00 53.23 H new ATOM 0 HB3 GLN A 37 1.519 0.807 0.941 1.00 53.23 H new ATOM 0 HG2 GLN A 37 0.603 -0.201 -0.975 1.00 24.42 H new ATOM 0 HG3 GLN A 37 2.123 -0.940 -1.438 1.00 24.42 H new ATOM 0 HE21 GLN A 37 2.798 -2.784 -0.511 1.00 53.01 H new ATOM 0 HE22 GLN A 37 1.717 -3.813 0.434 1.00 53.01 H new ATOM 602 N ILE A 38 3.364 3.604 -0.028 1.00 21.23 N ATOM 603 CA ILE A 38 3.816 4.724 0.747 1.00 34.01 C ATOM 604 C ILE A 38 2.648 5.319 1.504 1.00 63.31 C ATOM 605 O ILE A 38 1.564 5.452 0.966 1.00 51.22 O ATOM 606 CB ILE A 38 4.529 5.781 -0.134 1.00 21.02 C ATOM 607 CG1 ILE A 38 5.596 5.063 -0.967 1.00 5.22 C ATOM 608 CG2 ILE A 38 5.180 6.851 0.745 1.00 72.31 C ATOM 609 CD1 ILE A 38 6.537 5.961 -1.731 1.00 51.11 C ATOM 0 H ILE A 38 2.946 3.836 -0.929 1.00 21.23 H new ATOM 0 HA ILE A 38 4.557 4.376 1.467 1.00 34.01 H new ATOM 0 HB ILE A 38 3.808 6.273 -0.787 1.00 21.02 H new ATOM 0 HG12 ILE A 38 6.185 4.430 -0.303 1.00 5.22 H new ATOM 0 HG13 ILE A 38 5.095 4.403 -1.676 1.00 5.22 H new ATOM 0 HG21 ILE A 38 5.677 7.587 0.114 1.00 72.31 H new ATOM 0 HG22 ILE A 38 4.415 7.345 1.344 1.00 72.31 H new ATOM 0 HG23 ILE A 38 5.912 6.384 1.404 1.00 72.31 H new ATOM 0 HD11 ILE A 38 7.251 5.352 -2.286 1.00 51.11 H new ATOM 0 HD12 ILE A 38 5.967 6.577 -2.427 1.00 51.11 H new ATOM 0 HD13 ILE A 38 7.074 6.604 -1.033 1.00 51.11 H new ATOM 621 N VAL A 39 2.860 5.634 2.737 1.00 5.52 N ATOM 622 CA VAL A 39 1.797 6.156 3.585 1.00 5.13 C ATOM 623 C VAL A 39 1.997 7.639 3.810 1.00 13.23 C ATOM 624 O VAL A 39 3.086 8.072 4.199 1.00 44.53 O ATOM 625 CB VAL A 39 1.740 5.425 4.958 1.00 60.53 C ATOM 626 CG1 VAL A 39 0.630 5.988 5.843 1.00 42.25 C ATOM 627 CG2 VAL A 39 1.569 3.925 4.772 1.00 32.32 C ATOM 0 H VAL A 39 3.764 5.544 3.201 1.00 5.52 H new ATOM 0 HA VAL A 39 0.852 5.982 3.071 1.00 5.13 H new ATOM 0 HB VAL A 39 2.691 5.600 5.461 1.00 60.53 H new ATOM 0 HG11 VAL A 39 0.618 5.456 6.794 1.00 42.25 H new ATOM 0 HG12 VAL A 39 0.810 7.048 6.023 1.00 42.25 H new ATOM 0 HG13 VAL A 39 -0.331 5.863 5.345 1.00 42.25 H new ATOM 0 HG21 VAL A 39 1.532 3.439 5.747 1.00 32.32 H new ATOM 0 HG22 VAL A 39 0.642 3.728 4.234 1.00 32.32 H new ATOM 0 HG23 VAL A 39 2.410 3.531 4.202 1.00 32.32 H new ATOM 637 N ALA A 40 0.960 8.408 3.586 1.00 61.54 N ATOM 638 CA ALA A 40 1.043 9.830 3.724 1.00 5.41 C ATOM 639 C ALA A 40 -0.100 10.392 4.501 1.00 31.44 C ATOM 640 O ALA A 40 -1.173 9.844 4.518 1.00 34.14 O ATOM 641 CB ALA A 40 1.051 10.456 2.396 1.00 3.13 C ATOM 0 H ALA A 40 0.042 8.063 3.305 1.00 61.54 H new ATOM 0 HA ALA A 40 1.965 10.045 4.265 1.00 5.41 H new ATOM 0 HB1 ALA A 40 1.114 11.539 2.505 1.00 3.13 H new ATOM 0 HB2 ALA A 40 1.911 10.097 1.830 1.00 3.13 H new ATOM 0 HB3 ALA A 40 0.134 10.197 1.866 1.00 3.13 H new ATOM 647 N ARG A 41 0.138 11.468 5.168 1.00 54.42 N ATOM 648 CA ARG A 41 -0.901 12.134 5.855 1.00 0.05 C ATOM 649 C ARG A 41 -1.141 13.494 5.244 1.00 52.22 C ATOM 650 O ARG A 41 -0.206 14.161 4.879 1.00 34.03 O ATOM 651 CB ARG A 41 -0.655 12.193 7.336 1.00 73.34 C ATOM 652 CG ARG A 41 -1.878 12.563 8.093 1.00 25.41 C ATOM 653 CD ARG A 41 -1.663 12.312 9.521 1.00 21.43 C ATOM 654 NE ARG A 41 -2.877 12.544 10.287 1.00 2.40 N ATOM 655 CZ ARG A 41 -3.057 12.252 11.566 1.00 13.13 C ATOM 656 NH1 ARG A 41 -2.074 11.722 12.282 1.00 11.33 N ATOM 657 NH2 ARG A 41 -4.233 12.485 12.126 1.00 61.22 N ATOM 0 H ARG A 41 1.056 11.905 5.249 1.00 54.42 H new ATOM 0 HA ARG A 41 -1.817 11.555 5.738 1.00 0.05 H new ATOM 0 HB2 ARG A 41 -0.295 11.224 7.682 1.00 73.34 H new ATOM 0 HB3 ARG A 41 0.132 12.918 7.543 1.00 73.34 H new ATOM 0 HG2 ARG A 41 -2.116 13.614 7.929 1.00 25.41 H new ATOM 0 HG3 ARG A 41 -2.729 11.984 7.735 1.00 25.41 H new ATOM 0 HD2 ARG A 41 -1.330 11.284 9.666 1.00 21.43 H new ATOM 0 HD3 ARG A 41 -0.868 12.960 9.891 1.00 21.43 H new ATOM 0 HE ARG A 41 -3.662 12.971 9.794 1.00 2.40 H new ATOM 0 HH11 ARG A 41 -1.170 11.536 11.848 1.00 11.33 H new ATOM 0 HH12 ARG A 41 -2.222 11.501 13.267 1.00 11.33 H new ATOM 0 HH21 ARG A 41 -4.991 12.886 11.573 1.00 61.22 H new ATOM 0 HH22 ARG A 41 -4.382 12.264 13.110 1.00 61.22 H new ATOM 671 N LEU A 42 -2.374 13.851 5.056 1.00 3.13 N ATOM 672 CA LEU A 42 -2.708 15.157 4.487 1.00 75.23 C ATOM 673 C LEU A 42 -2.576 16.241 5.550 1.00 52.35 C ATOM 674 O LEU A 42 -2.907 16.005 6.701 1.00 62.13 O ATOM 675 CB LEU A 42 -4.130 15.139 3.901 1.00 42.11 C ATOM 676 CG LEU A 42 -4.362 14.136 2.776 1.00 22.23 C ATOM 677 CD1 LEU A 42 -5.770 14.234 2.258 1.00 12.55 C ATOM 678 CD2 LEU A 42 -3.377 14.360 1.659 1.00 63.42 C ATOM 0 H LEU A 42 -3.180 13.268 5.283 1.00 3.13 H new ATOM 0 HA LEU A 42 -2.010 15.378 3.679 1.00 75.23 H new ATOM 0 HB2 LEU A 42 -4.833 14.926 4.706 1.00 42.11 H new ATOM 0 HB3 LEU A 42 -4.364 16.137 3.529 1.00 42.11 H new ATOM 0 HG LEU A 42 -4.212 13.134 3.177 1.00 22.23 H new ATOM 0 HD11 LEU A 42 -5.914 13.510 1.456 1.00 12.55 H new ATOM 0 HD12 LEU A 42 -6.470 14.024 3.066 1.00 12.55 H new ATOM 0 HD13 LEU A 42 -5.948 15.239 1.875 1.00 12.55 H new ATOM 0 HD21 LEU A 42 -3.557 13.636 0.865 1.00 63.42 H new ATOM 0 HD22 LEU A 42 -3.498 15.369 1.264 1.00 63.42 H new ATOM 0 HD23 LEU A 42 -2.363 14.238 2.039 1.00 63.42 H new ATOM 690 N LYS A 43 -2.083 17.408 5.174 1.00 73.21 N ATOM 691 CA LYS A 43 -1.923 18.507 6.134 1.00 54.32 C ATOM 692 C LYS A 43 -3.196 19.293 6.279 1.00 42.54 C ATOM 693 O LYS A 43 -3.580 19.663 7.380 1.00 21.35 O ATOM 694 CB LYS A 43 -0.784 19.460 5.735 1.00 73.25 C ATOM 695 CG LYS A 43 0.590 18.829 5.750 1.00 43.02 C ATOM 696 CD LYS A 43 1.696 19.819 5.419 1.00 22.51 C ATOM 697 CE LYS A 43 1.802 20.916 6.476 1.00 65.45 C ATOM 698 NZ LYS A 43 2.935 21.819 6.224 1.00 73.22 N ATOM 0 H LYS A 43 -1.787 17.627 4.223 1.00 73.21 H new ATOM 0 HA LYS A 43 -1.671 18.046 7.089 1.00 54.32 H new ATOM 0 HB2 LYS A 43 -0.983 19.846 4.735 1.00 73.25 H new ATOM 0 HB3 LYS A 43 -0.786 20.314 6.413 1.00 73.25 H new ATOM 0 HG2 LYS A 43 0.776 18.398 6.734 1.00 43.02 H new ATOM 0 HG3 LYS A 43 0.616 18.009 5.033 1.00 43.02 H new ATOM 0 HD2 LYS A 43 2.647 19.292 5.344 1.00 22.51 H new ATOM 0 HD3 LYS A 43 1.503 20.269 4.445 1.00 22.51 H new ATOM 0 HE2 LYS A 43 0.877 21.492 6.494 1.00 65.45 H new ATOM 0 HE3 LYS A 43 1.913 20.461 7.460 1.00 65.45 H new ATOM 0 HZ1 LYS A 43 2.969 22.548 6.965 1.00 73.22 H new ATOM 0 HZ2 LYS A 43 3.821 21.275 6.232 1.00 73.22 H new ATOM 0 HZ3 LYS A 43 2.817 22.274 5.296 1.00 73.22 H new ATOM 712 N ASN A 44 -3.862 19.523 5.176 1.00 25.30 N ATOM 713 CA ASN A 44 -5.105 20.281 5.189 1.00 1.22 C ATOM 714 C ASN A 44 -6.244 19.457 5.755 1.00 11.11 C ATOM 715 O ASN A 44 -7.020 19.926 6.581 1.00 51.23 O ATOM 716 CB ASN A 44 -5.447 20.785 3.776 1.00 20.42 C ATOM 717 CG ASN A 44 -6.790 21.504 3.698 1.00 3.33 C ATOM 718 OD1 ASN A 44 -6.879 22.717 3.921 1.00 21.35 O ATOM 719 ND2 ASN A 44 -7.826 20.784 3.344 1.00 41.55 N ATOM 0 H ASN A 44 -3.571 19.200 4.253 1.00 25.30 H new ATOM 0 HA ASN A 44 -4.964 21.145 5.838 1.00 1.22 H new ATOM 0 HB2 ASN A 44 -4.661 21.461 3.439 1.00 20.42 H new ATOM 0 HB3 ASN A 44 -5.456 19.939 3.089 1.00 20.42 H new ATOM 0 HD21 ASN A 44 -8.742 21.222 3.245 1.00 41.55 H new ATOM 0 HD22 ASN A 44 -7.717 19.785 3.168 1.00 41.55 H new ATOM 726 N ASN A 45 -6.315 18.221 5.330 1.00 1.13 N ATOM 727 CA ASN A 45 -7.415 17.337 5.720 1.00 11.04 C ATOM 728 C ASN A 45 -7.081 16.576 6.980 1.00 13.43 C ATOM 729 O ASN A 45 -7.960 16.032 7.632 1.00 1.14 O ATOM 730 CB ASN A 45 -7.719 16.317 4.612 1.00 54.31 C ATOM 731 CG ASN A 45 -8.109 16.923 3.276 1.00 10.01 C ATOM 732 OD1 ASN A 45 -7.680 18.012 2.910 1.00 61.54 O ATOM 733 ND2 ASN A 45 -8.913 16.218 2.544 1.00 21.21 N ATOM 0 H ASN A 45 -5.628 17.791 4.711 1.00 1.13 H new ATOM 0 HA ASN A 45 -8.285 17.971 5.892 1.00 11.04 H new ATOM 0 HB2 ASN A 45 -6.841 15.688 4.467 1.00 54.31 H new ATOM 0 HB3 ASN A 45 -8.526 15.666 4.949 1.00 54.31 H new ATOM 0 HD21 ASN A 45 -9.209 16.565 1.632 1.00 21.21 H new ATOM 0 HD22 ASN A 45 -9.250 15.316 2.880 1.00 21.21 H new ATOM 740 N ASN A 46 -5.789 16.513 7.291 1.00 34.43 N ATOM 741 CA ASN A 46 -5.250 15.785 8.460 1.00 65.32 C ATOM 742 C ASN A 46 -5.487 14.282 8.401 1.00 20.34 C ATOM 743 O ASN A 46 -5.160 13.582 9.341 1.00 10.43 O ATOM 744 CB ASN A 46 -5.740 16.350 9.815 1.00 3.23 C ATOM 745 CG ASN A 46 -5.230 17.744 10.117 1.00 74.11 C ATOM 746 OD1 ASN A 46 -4.153 17.918 10.711 1.00 72.22 O ATOM 747 ND2 ASN A 46 -5.995 18.737 9.755 1.00 70.12 N ATOM 0 H ASN A 46 -5.067 16.971 6.735 1.00 34.43 H new ATOM 0 HA ASN A 46 -4.174 15.952 8.401 1.00 65.32 H new ATOM 0 HB2 ASN A 46 -6.830 16.363 9.820 1.00 3.23 H new ATOM 0 HB3 ASN A 46 -5.426 15.678 10.613 1.00 3.23 H new ATOM 0 HD21 ASN A 46 -5.715 19.697 9.958 1.00 70.12 H new ATOM 0 HD22 ASN A 46 -6.873 18.554 9.269 1.00 70.12 H new ATOM 754 N ARG A 47 -6.001 13.763 7.294 1.00 74.13 N ATOM 755 CA ARG A 47 -6.273 12.345 7.238 1.00 4.31 C ATOM 756 C ARG A 47 -5.074 11.572 6.762 1.00 41.22 C ATOM 757 O ARG A 47 -4.294 12.058 5.934 1.00 53.30 O ATOM 758 CB ARG A 47 -7.490 12.003 6.396 1.00 44.20 C ATOM 759 CG ARG A 47 -7.384 12.384 4.956 1.00 54.11 C ATOM 760 CD ARG A 47 -8.562 11.838 4.172 1.00 44.14 C ATOM 761 NE ARG A 47 -8.524 12.207 2.751 1.00 1.12 N ATOM 762 CZ ARG A 47 -9.142 11.526 1.769 1.00 70.24 C ATOM 763 NH1 ARG A 47 -9.795 10.387 2.045 1.00 4.51 N ATOM 764 NH2 ARG A 47 -9.095 11.983 0.518 1.00 44.20 N ATOM 0 H ARG A 47 -6.230 14.288 6.450 1.00 74.13 H new ATOM 0 HA ARG A 47 -6.500 12.047 8.262 1.00 4.31 H new ATOM 0 HB2 ARG A 47 -7.669 10.930 6.461 1.00 44.20 H new ATOM 0 HB3 ARG A 47 -8.361 12.498 6.825 1.00 44.20 H new ATOM 0 HG2 ARG A 47 -7.350 13.469 4.863 1.00 54.11 H new ATOM 0 HG3 ARG A 47 -6.453 11.999 4.540 1.00 54.11 H new ATOM 0 HD2 ARG A 47 -8.578 10.752 4.260 1.00 44.14 H new ATOM 0 HD3 ARG A 47 -9.488 12.207 4.613 1.00 44.14 H new ATOM 0 HE ARG A 47 -7.992 13.037 2.490 1.00 1.12 H new ATOM 0 HH11 ARG A 47 -9.824 10.035 3.002 1.00 4.51 H new ATOM 0 HH12 ARG A 47 -10.262 9.873 1.298 1.00 4.51 H new ATOM 0 HH21 ARG A 47 -8.592 12.845 0.309 1.00 44.20 H new ATOM 0 HH22 ARG A 47 -9.562 11.470 -0.230 1.00 44.20 H new ATOM 778 N GLN A 48 -4.917 10.394 7.291 1.00 4.31 N ATOM 779 CA GLN A 48 -3.850 9.531 6.943 1.00 20.24 C ATOM 780 C GLN A 48 -4.301 8.671 5.769 1.00 45.43 C ATOM 781 O GLN A 48 -5.333 7.998 5.838 1.00 33.21 O ATOM 782 CB GLN A 48 -3.531 8.669 8.141 1.00 64.04 C ATOM 783 CG GLN A 48 -2.311 7.821 7.990 1.00 14.22 C ATOM 784 CD GLN A 48 -2.129 6.864 9.154 1.00 24.11 C ATOM 785 OE1 GLN A 48 -3.101 6.413 9.767 1.00 32.11 O ATOM 786 NE2 GLN A 48 -0.905 6.553 9.473 1.00 22.41 N ATOM 0 H GLN A 48 -5.548 10.007 7.992 1.00 4.31 H new ATOM 0 HA GLN A 48 -2.959 10.090 6.657 1.00 20.24 H new ATOM 0 HB2 GLN A 48 -3.405 9.312 9.012 1.00 64.04 H new ATOM 0 HB3 GLN A 48 -4.384 8.022 8.344 1.00 64.04 H new ATOM 0 HG2 GLN A 48 -2.378 7.253 7.062 1.00 14.22 H new ATOM 0 HG3 GLN A 48 -1.433 8.462 7.908 1.00 14.22 H new ATOM 0 HE21 GLN A 48 -0.125 6.944 8.945 1.00 22.41 H new ATOM 0 HE22 GLN A 48 -0.726 5.918 10.251 1.00 22.41 H new ATOM 795 N VAL A 49 -3.555 8.715 4.713 1.00 3.11 N ATOM 796 CA VAL A 49 -3.888 8.021 3.486 1.00 12.42 C ATOM 797 C VAL A 49 -2.697 7.266 2.935 1.00 40.14 C ATOM 798 O VAL A 49 -1.625 7.232 3.539 1.00 34.40 O ATOM 799 CB VAL A 49 -4.426 8.991 2.390 1.00 41.21 C ATOM 800 CG1 VAL A 49 -5.779 9.565 2.771 1.00 61.43 C ATOM 801 CG2 VAL A 49 -3.430 10.126 2.133 1.00 53.24 C ATOM 0 H VAL A 49 -2.681 9.239 4.666 1.00 3.11 H new ATOM 0 HA VAL A 49 -4.676 7.314 3.744 1.00 12.42 H new ATOM 0 HB VAL A 49 -4.547 8.412 1.474 1.00 41.21 H new ATOM 0 HG11 VAL A 49 -6.124 10.237 1.985 1.00 61.43 H new ATOM 0 HG12 VAL A 49 -6.496 8.754 2.896 1.00 61.43 H new ATOM 0 HG13 VAL A 49 -5.690 10.117 3.706 1.00 61.43 H new ATOM 0 HG21 VAL A 49 -3.826 10.790 1.365 1.00 53.24 H new ATOM 0 HG22 VAL A 49 -3.273 10.688 3.054 1.00 53.24 H new ATOM 0 HG23 VAL A 49 -2.481 9.708 1.797 1.00 53.24 H new ATOM 811 N CYS A 50 -2.892 6.662 1.800 1.00 64.52 N ATOM 812 CA CYS A 50 -1.856 5.934 1.151 1.00 22.55 C ATOM 813 C CYS A 50 -1.535 6.565 -0.193 1.00 62.54 C ATOM 814 O CYS A 50 -2.440 6.977 -0.947 1.00 13.24 O ATOM 815 CB CYS A 50 -2.254 4.477 0.988 1.00 32.44 C ATOM 816 SG CYS A 50 -2.616 3.635 2.567 1.00 63.21 S ATOM 0 H CYS A 50 -3.781 6.664 1.300 1.00 64.52 H new ATOM 0 HA CYS A 50 -0.959 5.971 1.769 1.00 22.55 H new ATOM 0 HB2 CYS A 50 -3.133 4.419 0.346 1.00 32.44 H new ATOM 0 HB3 CYS A 50 -1.451 3.945 0.478 1.00 32.44 H new ATOM 821 N ILE A 51 -0.275 6.664 -0.468 1.00 14.23 N ATOM 822 CA ILE A 51 0.243 7.232 -1.667 1.00 50.41 C ATOM 823 C ILE A 51 0.559 6.153 -2.686 1.00 3.33 C ATOM 824 O ILE A 51 1.139 5.115 -2.354 1.00 73.45 O ATOM 825 CB ILE A 51 1.537 8.032 -1.372 1.00 74.13 C ATOM 826 CG1 ILE A 51 1.260 9.285 -0.597 1.00 71.43 C ATOM 827 CG2 ILE A 51 2.274 8.375 -2.608 1.00 14.20 C ATOM 828 CD1 ILE A 51 0.399 10.266 -1.308 1.00 53.10 C ATOM 0 H ILE A 51 0.453 6.336 0.167 1.00 14.23 H new ATOM 0 HA ILE A 51 -0.519 7.898 -2.072 1.00 50.41 H new ATOM 0 HB ILE A 51 2.159 7.374 -0.765 1.00 74.13 H new ATOM 0 HG12 ILE A 51 0.783 9.017 0.346 1.00 71.43 H new ATOM 0 HG13 ILE A 51 2.208 9.763 -0.350 1.00 71.43 H new ATOM 0 HG21 ILE A 51 3.173 8.935 -2.352 1.00 14.20 H new ATOM 0 HG22 ILE A 51 2.553 7.460 -3.131 1.00 14.20 H new ATOM 0 HG23 ILE A 51 1.640 8.983 -3.253 1.00 14.20 H new ATOM 0 HD11 ILE A 51 0.249 11.142 -0.677 1.00 53.10 H new ATOM 0 HD12 ILE A 51 0.881 10.567 -2.238 1.00 53.10 H new ATOM 0 HD13 ILE A 51 -0.565 9.809 -1.531 1.00 53.10 H new ATOM 840 N ASP A 52 0.159 6.409 -3.906 1.00 64.43 N ATOM 841 CA ASP A 52 0.476 5.559 -5.026 1.00 52.40 C ATOM 842 C ASP A 52 1.933 5.828 -5.384 1.00 24.01 C ATOM 843 O ASP A 52 2.293 6.965 -5.693 1.00 61.33 O ATOM 844 CB ASP A 52 -0.435 5.932 -6.194 1.00 14.31 C ATOM 845 CG ASP A 52 -0.245 5.097 -7.430 1.00 63.23 C ATOM 846 OD1 ASP A 52 0.703 5.339 -8.179 1.00 2.44 O ATOM 847 OD2 ASP A 52 -1.088 4.209 -7.686 1.00 61.23 O ATOM 0 H ASP A 52 -0.403 7.224 -4.152 1.00 64.43 H new ATOM 0 HA ASP A 52 0.330 4.504 -4.794 1.00 52.40 H new ATOM 0 HB2 ASP A 52 -1.472 5.846 -5.870 1.00 14.31 H new ATOM 0 HB3 ASP A 52 -0.266 6.978 -6.449 1.00 14.31 H new ATOM 852 N PRO A 53 2.792 4.808 -5.337 1.00 41.34 N ATOM 853 CA PRO A 53 4.238 4.980 -5.544 1.00 34.52 C ATOM 854 C PRO A 53 4.610 5.382 -6.970 1.00 12.14 C ATOM 855 O PRO A 53 5.771 5.706 -7.249 1.00 21.02 O ATOM 856 CB PRO A 53 4.811 3.606 -5.211 1.00 40.21 C ATOM 857 CG PRO A 53 3.693 2.672 -5.479 1.00 25.42 C ATOM 858 CD PRO A 53 2.442 3.400 -5.083 1.00 74.20 C ATOM 0 HA PRO A 53 4.629 5.790 -4.928 1.00 34.52 H new ATOM 0 HB2 PRO A 53 5.679 3.376 -5.829 1.00 40.21 H new ATOM 0 HB3 PRO A 53 5.136 3.551 -4.172 1.00 40.21 H new ATOM 0 HG2 PRO A 53 3.664 2.390 -6.532 1.00 25.42 H new ATOM 0 HG3 PRO A 53 3.807 1.752 -4.906 1.00 25.42 H new ATOM 0 HD2 PRO A 53 1.584 3.083 -5.676 1.00 74.20 H new ATOM 0 HD3 PRO A 53 2.188 3.228 -4.037 1.00 74.20 H new ATOM 866 N LYS A 54 3.642 5.372 -7.867 1.00 35.33 N ATOM 867 CA LYS A 54 3.892 5.727 -9.240 1.00 43.22 C ATOM 868 C LYS A 54 3.796 7.234 -9.443 1.00 71.43 C ATOM 869 O LYS A 54 4.034 7.732 -10.552 1.00 2.10 O ATOM 870 CB LYS A 54 2.955 4.974 -10.170 1.00 61.52 C ATOM 871 CG LYS A 54 3.111 3.461 -10.070 1.00 2.21 C ATOM 872 CD LYS A 54 2.130 2.724 -10.963 1.00 31.44 C ATOM 873 CE LYS A 54 0.689 3.019 -10.575 1.00 1.25 C ATOM 874 NZ LYS A 54 -0.289 2.242 -11.375 1.00 22.44 N ATOM 0 H LYS A 54 2.675 5.120 -7.663 1.00 35.33 H new ATOM 0 HA LYS A 54 4.911 5.432 -9.489 1.00 43.22 H new ATOM 0 HB2 LYS A 54 1.925 5.244 -9.937 1.00 61.52 H new ATOM 0 HB3 LYS A 54 3.142 5.287 -11.197 1.00 61.52 H new ATOM 0 HG2 LYS A 54 4.129 3.183 -10.344 1.00 2.21 H new ATOM 0 HG3 LYS A 54 2.963 3.150 -9.036 1.00 2.21 H new ATOM 0 HD2 LYS A 54 2.294 3.013 -12.001 1.00 31.44 H new ATOM 0 HD3 LYS A 54 2.313 1.651 -10.898 1.00 31.44 H new ATOM 0 HE2 LYS A 54 0.548 2.794 -9.518 1.00 1.25 H new ATOM 0 HE3 LYS A 54 0.493 4.084 -10.703 1.00 1.25 H new ATOM 0 HZ1 LYS A 54 -1.254 2.481 -11.070 1.00 22.44 H new ATOM 0 HZ2 LYS A 54 -0.176 2.475 -12.382 1.00 22.44 H new ATOM 0 HZ3 LYS A 54 -0.123 1.225 -11.234 1.00 22.44 H new ATOM 888 N LEU A 55 3.418 7.961 -8.374 1.00 52.33 N ATOM 889 CA LEU A 55 3.432 9.428 -8.389 1.00 52.43 C ATOM 890 C LEU A 55 4.819 9.930 -8.720 1.00 60.03 C ATOM 891 O LEU A 55 5.797 9.457 -8.157 1.00 11.11 O ATOM 892 CB LEU A 55 2.991 9.980 -7.037 1.00 61.40 C ATOM 893 CG LEU A 55 1.504 9.858 -6.687 1.00 64.54 C ATOM 894 CD1 LEU A 55 1.224 10.504 -5.351 1.00 62.14 C ATOM 895 CD2 LEU A 55 0.645 10.499 -7.758 1.00 74.34 C ATOM 0 H LEU A 55 3.101 7.554 -7.494 1.00 52.33 H new ATOM 0 HA LEU A 55 2.735 9.773 -9.152 1.00 52.43 H new ATOM 0 HB2 LEU A 55 3.564 9.473 -6.261 1.00 61.40 H new ATOM 0 HB3 LEU A 55 3.263 11.035 -6.997 1.00 61.40 H new ATOM 0 HG LEU A 55 1.256 8.798 -6.629 1.00 64.54 H new ATOM 0 HD11 LEU A 55 0.164 10.409 -5.116 1.00 62.14 H new ATOM 0 HD12 LEU A 55 1.812 10.010 -4.578 1.00 62.14 H new ATOM 0 HD13 LEU A 55 1.493 11.559 -5.394 1.00 62.14 H new ATOM 0 HD21 LEU A 55 -0.407 10.400 -7.488 1.00 74.34 H new ATOM 0 HD22 LEU A 55 0.900 11.555 -7.845 1.00 74.34 H new ATOM 0 HD23 LEU A 55 0.823 10.003 -8.712 1.00 74.34 H new ATOM 907 N LYS A 56 4.903 10.893 -9.612 1.00 35.30 N ATOM 908 CA LYS A 56 6.185 11.377 -10.079 1.00 34.20 C ATOM 909 C LYS A 56 6.959 12.120 -9.016 1.00 12.04 C ATOM 910 O LYS A 56 8.195 12.026 -8.966 1.00 22.13 O ATOM 911 CB LYS A 56 6.054 12.197 -11.346 1.00 34.22 C ATOM 912 CG LYS A 56 5.574 11.387 -12.534 1.00 72.11 C ATOM 913 CD LYS A 56 5.506 12.227 -13.790 1.00 44.41 C ATOM 914 CE LYS A 56 6.871 12.805 -14.166 1.00 65.31 C ATOM 915 NZ LYS A 56 6.811 13.615 -15.395 1.00 51.50 N ATOM 0 H LYS A 56 4.097 11.358 -10.030 1.00 35.30 H new ATOM 0 HA LYS A 56 6.769 10.489 -10.320 1.00 34.20 H new ATOM 0 HB2 LYS A 56 5.359 13.018 -11.170 1.00 34.22 H new ATOM 0 HB3 LYS A 56 7.020 12.642 -11.584 1.00 34.22 H new ATOM 0 HG2 LYS A 56 6.246 10.544 -12.695 1.00 72.11 H new ATOM 0 HG3 LYS A 56 4.589 10.973 -12.319 1.00 72.11 H new ATOM 0 HD2 LYS A 56 5.130 11.619 -14.613 1.00 44.41 H new ATOM 0 HD3 LYS A 56 4.795 13.040 -13.644 1.00 44.41 H new ATOM 0 HE2 LYS A 56 7.242 13.419 -13.346 1.00 65.31 H new ATOM 0 HE3 LYS A 56 7.583 11.991 -14.303 1.00 65.31 H new ATOM 0 HZ1 LYS A 56 7.758 13.987 -15.612 1.00 51.50 H new ATOM 0 HZ2 LYS A 56 6.481 13.024 -16.185 1.00 51.50 H new ATOM 0 HZ3 LYS A 56 6.151 14.407 -15.257 1.00 51.50 H new ATOM 929 N TRP A 57 6.252 12.826 -8.141 1.00 33.13 N ATOM 930 CA TRP A 57 6.911 13.557 -7.072 1.00 3.30 C ATOM 931 C TRP A 57 7.449 12.582 -6.030 1.00 43.24 C ATOM 932 O TRP A 57 8.298 12.912 -5.209 1.00 34.03 O ATOM 933 CB TRP A 57 5.978 14.605 -6.424 1.00 42.11 C ATOM 934 CG TRP A 57 4.823 14.078 -5.581 1.00 65.41 C ATOM 935 CD1 TRP A 57 3.525 13.868 -5.958 1.00 52.42 C ATOM 936 CD2 TRP A 57 4.883 13.728 -4.194 1.00 0.43 C ATOM 937 NE1 TRP A 57 2.796 13.440 -4.862 1.00 62.14 N ATOM 938 CE2 TRP A 57 3.601 13.344 -3.796 1.00 33.31 C ATOM 939 CE3 TRP A 57 5.894 13.713 -3.261 1.00 50.45 C ATOM 940 CZ2 TRP A 57 3.306 12.951 -2.508 1.00 53.15 C ATOM 941 CZ3 TRP A 57 5.611 13.320 -1.979 1.00 32.43 C ATOM 942 CH2 TRP A 57 4.314 12.944 -1.610 1.00 62.43 C ATOM 0 H TRP A 57 5.235 12.906 -8.152 1.00 33.13 H new ATOM 0 HA TRP A 57 7.746 14.107 -7.507 1.00 3.30 H new ATOM 0 HB2 TRP A 57 6.586 15.257 -5.796 1.00 42.11 H new ATOM 0 HB3 TRP A 57 5.562 15.225 -7.218 1.00 42.11 H new ATOM 0 HD1 TRP A 57 3.131 14.013 -6.953 1.00 52.42 H new ATOM 0 HE1 TRP A 57 1.798 13.230 -4.866 1.00 62.14 H new ATOM 0 HE3 TRP A 57 6.896 14.007 -3.535 1.00 50.45 H new ATOM 0 HZ2 TRP A 57 2.305 12.659 -2.227 1.00 53.15 H new ATOM 0 HZ3 TRP A 57 6.400 13.300 -1.242 1.00 32.43 H new ATOM 0 HH2 TRP A 57 4.117 12.644 -0.591 1.00 62.43 H new ATOM 953 N ILE A 58 6.948 11.383 -6.090 1.00 5.02 N ATOM 954 CA ILE A 58 7.355 10.328 -5.221 1.00 41.23 C ATOM 955 C ILE A 58 8.755 9.845 -5.548 1.00 65.44 C ATOM 956 O ILE A 58 9.472 9.423 -4.667 1.00 13.40 O ATOM 957 CB ILE A 58 6.289 9.201 -5.201 1.00 54.20 C ATOM 958 CG1 ILE A 58 5.098 9.620 -4.349 1.00 70.13 C ATOM 959 CG2 ILE A 58 6.820 7.862 -4.779 1.00 60.21 C ATOM 960 CD1 ILE A 58 5.449 9.862 -2.888 1.00 33.13 C ATOM 0 H ILE A 58 6.230 11.110 -6.761 1.00 5.02 H new ATOM 0 HA ILE A 58 7.417 10.711 -4.202 1.00 41.23 H new ATOM 0 HB ILE A 58 5.966 9.065 -6.233 1.00 54.20 H new ATOM 0 HG12 ILE A 58 4.666 10.530 -4.766 1.00 70.13 H new ATOM 0 HG13 ILE A 58 4.331 8.848 -4.407 1.00 70.13 H new ATOM 0 HG21 ILE A 58 6.012 7.130 -4.791 1.00 60.21 H new ATOM 0 HG22 ILE A 58 7.605 7.548 -5.467 1.00 60.21 H new ATOM 0 HG23 ILE A 58 7.229 7.934 -3.771 1.00 60.21 H new ATOM 0 HD11 ILE A 58 4.553 10.157 -2.342 1.00 33.13 H new ATOM 0 HD12 ILE A 58 5.853 8.947 -2.455 1.00 33.13 H new ATOM 0 HD13 ILE A 58 6.193 10.656 -2.819 1.00 33.13 H new ATOM 972 N GLN A 59 9.164 9.955 -6.801 1.00 5.03 N ATOM 973 CA GLN A 59 10.525 9.594 -7.161 1.00 52.23 C ATOM 974 C GLN A 59 11.527 10.540 -6.500 1.00 72.43 C ATOM 975 O GLN A 59 12.588 10.111 -6.043 1.00 2.12 O ATOM 976 CB GLN A 59 10.744 9.521 -8.672 1.00 1.51 C ATOM 977 CG GLN A 59 10.121 8.301 -9.363 1.00 74.44 C ATOM 978 CD GLN A 59 8.607 8.265 -9.341 1.00 51.24 C ATOM 979 OE1 GLN A 59 7.957 8.794 -10.236 1.00 11.12 O ATOM 980 NE2 GLN A 59 8.040 7.629 -8.346 1.00 31.35 N ATOM 0 H GLN A 59 8.585 10.285 -7.573 1.00 5.03 H new ATOM 0 HA GLN A 59 10.694 8.586 -6.782 1.00 52.23 H new ATOM 0 HB2 GLN A 59 10.336 10.424 -9.126 1.00 1.51 H new ATOM 0 HB3 GLN A 59 11.816 9.522 -8.868 1.00 1.51 H new ATOM 0 HG2 GLN A 59 10.456 8.277 -10.400 1.00 74.44 H new ATOM 0 HG3 GLN A 59 10.499 7.397 -8.885 1.00 74.44 H new ATOM 0 HE21 GLN A 59 8.615 7.202 -7.620 1.00 31.35 H new ATOM 0 HE22 GLN A 59 7.023 7.561 -8.297 1.00 31.35 H new ATOM 989 N GLU A 60 11.153 11.831 -6.426 1.00 50.11 N ATOM 990 CA GLU A 60 11.897 12.859 -5.770 1.00 63.32 C ATOM 991 C GLU A 60 12.065 12.460 -4.302 1.00 3.25 C ATOM 992 O GLU A 60 13.165 12.499 -3.748 1.00 40.52 O ATOM 993 CB GLU A 60 11.026 14.106 -5.906 1.00 50.30 C ATOM 994 CG GLU A 60 11.632 15.430 -5.573 1.00 22.45 C ATOM 995 CD GLU A 60 11.982 15.660 -4.108 1.00 44.34 C ATOM 996 OE1 GLU A 60 11.063 15.860 -3.278 1.00 5.43 O ATOM 997 OE2 GLU A 60 13.185 15.701 -3.778 1.00 44.22 O ATOM 0 H GLU A 60 10.288 12.173 -6.845 1.00 50.11 H new ATOM 0 HA GLU A 60 12.891 13.025 -6.186 1.00 63.32 H new ATOM 0 HB2 GLU A 60 10.669 14.152 -6.935 1.00 50.30 H new ATOM 0 HB3 GLU A 60 10.150 13.971 -5.271 1.00 50.30 H new ATOM 0 HG2 GLU A 60 12.539 15.550 -6.165 1.00 22.45 H new ATOM 0 HG3 GLU A 60 10.941 16.212 -5.887 1.00 22.45 H new ATOM 1004 N TYR A 61 10.965 12.051 -3.706 1.00 15.24 N ATOM 1005 CA TYR A 61 10.939 11.596 -2.335 1.00 15.52 C ATOM 1006 C TYR A 61 11.757 10.310 -2.130 1.00 22.44 C ATOM 1007 O TYR A 61 12.528 10.226 -1.192 1.00 3.22 O ATOM 1008 CB TYR A 61 9.492 11.423 -1.849 1.00 54.43 C ATOM 1009 CG TYR A 61 9.371 10.664 -0.549 1.00 33.12 C ATOM 1010 CD1 TYR A 61 9.827 11.200 0.651 1.00 74.12 C ATOM 1011 CD2 TYR A 61 8.816 9.396 -0.536 1.00 12.04 C ATOM 1012 CE1 TYR A 61 9.733 10.484 1.828 1.00 33.23 C ATOM 1013 CE2 TYR A 61 8.707 8.675 0.622 1.00 62.44 C ATOM 1014 CZ TYR A 61 9.173 9.222 1.817 1.00 61.41 C ATOM 1015 OH TYR A 61 9.084 8.500 3.001 1.00 20.52 O ATOM 0 H TYR A 61 10.055 12.025 -4.166 1.00 15.24 H new ATOM 0 HA TYR A 61 11.415 12.366 -1.728 1.00 15.52 H new ATOM 0 HB2 TYR A 61 9.040 12.407 -1.727 1.00 54.43 H new ATOM 0 HB3 TYR A 61 8.921 10.902 -2.617 1.00 54.43 H new ATOM 0 HD1 TYR A 61 10.260 12.189 0.662 1.00 74.12 H new ATOM 0 HD2 TYR A 61 8.461 8.966 -1.461 1.00 12.04 H new ATOM 0 HE1 TYR A 61 10.096 10.909 2.752 1.00 33.23 H new ATOM 0 HE2 TYR A 61 8.264 7.690 0.610 1.00 62.44 H new ATOM 0 HH TYR A 61 8.566 9.011 3.657 1.00 20.52 H new ATOM 1025 N LEU A 62 11.585 9.334 -3.014 1.00 62.30 N ATOM 1026 CA LEU A 62 12.269 8.042 -2.913 1.00 31.42 C ATOM 1027 C LEU A 62 13.759 8.184 -2.819 1.00 1.34 C ATOM 1028 O LEU A 62 14.373 7.668 -1.891 1.00 1.10 O ATOM 1029 CB LEU A 62 11.909 7.118 -4.073 1.00 73.53 C ATOM 1030 CG LEU A 62 10.463 6.652 -4.128 1.00 31.51 C ATOM 1031 CD1 LEU A 62 10.229 5.793 -5.344 1.00 21.34 C ATOM 1032 CD2 LEU A 62 10.113 5.889 -2.871 1.00 44.41 C ATOM 0 H LEU A 62 10.968 9.412 -3.823 1.00 62.30 H new ATOM 0 HA LEU A 62 11.917 7.593 -1.985 1.00 31.42 H new ATOM 0 HB2 LEU A 62 12.140 7.631 -5.006 1.00 73.53 H new ATOM 0 HB3 LEU A 62 12.552 6.239 -4.025 1.00 73.53 H new ATOM 0 HG LEU A 62 9.819 7.529 -4.198 1.00 31.51 H new ATOM 0 HD11 LEU A 62 9.188 5.469 -5.366 1.00 21.34 H new ATOM 0 HD12 LEU A 62 10.449 6.368 -6.243 1.00 21.34 H new ATOM 0 HD13 LEU A 62 10.880 4.920 -5.303 1.00 21.34 H new ATOM 0 HD21 LEU A 62 9.075 5.560 -2.922 1.00 44.41 H new ATOM 0 HD22 LEU A 62 10.765 5.020 -2.779 1.00 44.41 H new ATOM 0 HD23 LEU A 62 10.247 6.536 -2.004 1.00 44.41 H new ATOM 1044 N GLU A 63 14.343 8.900 -3.742 1.00 45.10 N ATOM 1045 CA GLU A 63 15.789 9.074 -3.730 1.00 0.14 C ATOM 1046 C GLU A 63 16.263 9.811 -2.467 1.00 74.41 C ATOM 1047 O GLU A 63 17.375 9.612 -2.004 1.00 71.24 O ATOM 1048 CB GLU A 63 16.301 9.743 -5.011 1.00 75.11 C ATOM 1049 CG GLU A 63 15.728 11.113 -5.304 1.00 22.33 C ATOM 1050 CD GLU A 63 16.301 11.693 -6.567 1.00 44.43 C ATOM 1051 OE1 GLU A 63 15.754 11.430 -7.662 1.00 1.13 O ATOM 1052 OE2 GLU A 63 17.320 12.405 -6.494 1.00 3.12 O ATOM 0 H GLU A 63 13.857 9.370 -4.506 1.00 45.10 H new ATOM 0 HA GLU A 63 16.228 8.077 -3.702 1.00 0.14 H new ATOM 0 HB2 GLU A 63 17.386 9.828 -4.947 1.00 75.11 H new ATOM 0 HB3 GLU A 63 16.082 9.089 -5.855 1.00 75.11 H new ATOM 0 HG2 GLU A 63 14.644 11.043 -5.394 1.00 22.33 H new ATOM 0 HG3 GLU A 63 15.936 11.782 -4.469 1.00 22.33 H new ATOM 1059 N LYS A 64 15.395 10.610 -1.886 1.00 0.20 N ATOM 1060 CA LYS A 64 15.733 11.341 -0.679 1.00 15.14 C ATOM 1061 C LYS A 64 15.277 10.612 0.577 1.00 13.44 C ATOM 1062 O LYS A 64 15.412 11.121 1.688 1.00 24.44 O ATOM 1063 CB LYS A 64 15.169 12.745 -0.719 1.00 50.20 C ATOM 1064 CG LYS A 64 15.760 13.620 -1.825 1.00 2.24 C ATOM 1065 CD LYS A 64 17.281 13.781 -1.678 1.00 4.55 C ATOM 1066 CE LYS A 64 17.658 14.501 -0.389 1.00 44.23 C ATOM 1067 NZ LYS A 64 19.123 14.602 -0.212 1.00 4.51 N ATOM 0 H LYS A 64 14.448 10.772 -2.229 1.00 0.20 H new ATOM 0 HA LYS A 64 16.820 11.407 -0.639 1.00 15.14 H new ATOM 0 HB2 LYS A 64 14.089 12.688 -0.853 1.00 50.20 H new ATOM 0 HB3 LYS A 64 15.346 13.225 0.244 1.00 50.20 H new ATOM 0 HG2 LYS A 64 15.534 13.179 -2.796 1.00 2.24 H new ATOM 0 HG3 LYS A 64 15.287 14.602 -1.803 1.00 2.24 H new ATOM 0 HD2 LYS A 64 17.753 12.799 -1.695 1.00 4.55 H new ATOM 0 HD3 LYS A 64 17.671 14.337 -2.531 1.00 4.55 H new ATOM 0 HE2 LYS A 64 17.225 15.501 -0.394 1.00 44.23 H new ATOM 0 HE3 LYS A 64 17.227 13.971 0.460 1.00 44.23 H new ATOM 0 HZ1 LYS A 64 19.332 15.157 0.642 1.00 4.51 H new ATOM 0 HZ2 LYS A 64 19.527 13.649 -0.113 1.00 4.51 H new ATOM 0 HZ3 LYS A 64 19.541 15.071 -1.041 1.00 4.51 H new ATOM 1081 N ALA A 65 14.734 9.446 0.400 1.00 73.35 N ATOM 1082 CA ALA A 65 14.351 8.607 1.511 1.00 53.20 C ATOM 1083 C ALA A 65 15.304 7.437 1.584 1.00 62.13 C ATOM 1084 O ALA A 65 15.762 7.047 2.658 1.00 14.43 O ATOM 1085 CB ALA A 65 12.915 8.124 1.354 1.00 14.12 C ATOM 0 H ALA A 65 14.541 9.043 -0.517 1.00 73.35 H new ATOM 0 HA ALA A 65 14.403 9.180 2.437 1.00 53.20 H new ATOM 0 HB1 ALA A 65 12.648 7.494 2.202 1.00 14.12 H new ATOM 0 HB2 ALA A 65 12.245 8.983 1.315 1.00 14.12 H new ATOM 0 HB3 ALA A 65 12.823 7.550 0.432 1.00 14.12 H new ATOM 1091 N LEU A 66 15.618 6.902 0.424 1.00 61.14 N ATOM 1092 CA LEU A 66 16.531 5.776 0.310 1.00 41.40 C ATOM 1093 C LEU A 66 17.971 6.241 0.395 1.00 32.53 C ATOM 1094 O LEU A 66 18.682 5.875 1.320 1.00 2.21 O ATOM 1095 CB LEU A 66 16.284 4.930 -0.965 1.00 55.44 C ATOM 1096 CG LEU A 66 15.025 4.014 -0.996 1.00 21.14 C ATOM 1097 CD1 LEU A 66 13.722 4.783 -0.845 1.00 72.04 C ATOM 1098 CD2 LEU A 66 15.003 3.194 -2.272 1.00 22.21 C ATOM 0 H LEU A 66 15.250 7.232 -0.468 1.00 61.14 H new ATOM 0 HA LEU A 66 16.331 5.118 1.156 1.00 41.40 H new ATOM 0 HB2 LEU A 66 16.223 5.612 -1.813 1.00 55.44 H new ATOM 0 HB3 LEU A 66 17.160 4.301 -1.124 1.00 55.44 H new ATOM 0 HG LEU A 66 15.100 3.352 -0.133 1.00 21.14 H new ATOM 0 HD11 LEU A 66 12.883 4.087 -0.875 1.00 72.04 H new ATOM 0 HD12 LEU A 66 13.720 5.313 0.108 1.00 72.04 H new ATOM 0 HD13 LEU A 66 13.627 5.501 -1.660 1.00 72.04 H new ATOM 0 HD21 LEU A 66 14.118 2.558 -2.281 1.00 22.21 H new ATOM 0 HD22 LEU A 66 14.979 3.862 -3.133 1.00 22.21 H new ATOM 0 HD23 LEU A 66 15.897 2.572 -2.320 1.00 22.21 H new ATOM 1110 N ASN A 67 18.396 7.059 -0.558 1.00 72.22 N ATOM 1111 CA ASN A 67 19.756 7.600 -0.526 1.00 0.24 C ATOM 1112 C ASN A 67 19.838 8.646 0.565 1.00 72.11 C ATOM 1113 O ASN A 67 20.720 8.604 1.412 1.00 25.30 O ATOM 1114 CB ASN A 67 20.129 8.242 -1.870 1.00 53.52 C ATOM 1115 CG ASN A 67 21.555 8.800 -1.907 1.00 54.33 C ATOM 1116 OD1 ASN A 67 21.826 9.795 -2.590 1.00 31.43 O ATOM 1117 ND2 ASN A 67 22.468 8.177 -1.199 1.00 22.22 N ATOM 0 H ASN A 67 17.832 7.361 -1.353 1.00 72.22 H new ATOM 0 HA ASN A 67 20.453 6.785 -0.332 1.00 0.24 H new ATOM 0 HB2 ASN A 67 20.017 7.501 -2.661 1.00 53.52 H new ATOM 0 HB3 ASN A 67 19.427 9.047 -2.086 1.00 53.52 H new ATOM 0 HD21 ASN A 67 23.432 8.511 -1.202 1.00 22.22 H new ATOM 0 HD22 ASN A 67 22.214 7.359 -0.646 1.00 22.22 H new ATOM 1124 N LYS A 68 18.872 9.554 0.529 1.00 52.41 N ATOM 1125 CA LYS A 68 18.717 10.634 1.462 1.00 72.44 C ATOM 1126 C LYS A 68 19.992 11.484 1.567 1.00 1.21 C ATOM 1127 O LYS A 68 20.206 12.333 0.672 1.00 37.23 O ATOM 1128 CB LYS A 68 18.270 10.081 2.804 1.00 4.12 C ATOM 1129 CG LYS A 68 17.874 11.125 3.807 1.00 14.41 C ATOM 1130 CD LYS A 68 17.413 10.483 5.085 1.00 74.40 C ATOM 1131 CE LYS A 68 16.149 9.653 4.888 1.00 50.43 C ATOM 1132 NZ LYS A 68 15.638 9.120 6.165 1.00 21.24 N ATOM 1133 OXT LYS A 68 20.767 11.334 2.532 1.00 37.23 O ATOM 0 H LYS A 68 18.148 9.547 -0.189 1.00 52.41 H new ATOM 0 HA LYS A 68 17.943 11.311 1.099 1.00 72.44 H new ATOM 0 HB2 LYS A 68 17.425 9.411 2.643 1.00 4.12 H new ATOM 0 HB3 LYS A 68 19.078 9.481 3.223 1.00 4.12 H new ATOM 0 HG2 LYS A 68 18.720 11.783 4.009 1.00 14.41 H new ATOM 0 HG3 LYS A 68 17.077 11.746 3.398 1.00 14.41 H new ATOM 0 HD2 LYS A 68 18.206 9.847 5.477 1.00 74.40 H new ATOM 0 HD3 LYS A 68 17.226 11.255 5.831 1.00 74.40 H new ATOM 0 HE2 LYS A 68 15.381 10.267 4.417 1.00 50.43 H new ATOM 0 HE3 LYS A 68 16.359 8.828 4.208 1.00 50.43 H new ATOM 0 HZ1 LYS A 68 14.778 8.562 5.989 1.00 21.24 H new ATOM 0 HZ2 LYS A 68 16.361 8.514 6.602 1.00 21.24 H new ATOM 0 HZ3 LYS A 68 15.414 9.908 6.805 1.00 21.24 H new TER 1147 LYS A 68