USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 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 31 THR OG1 : rot -170:sc= 0.102 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.251 K(o=-0.15,f=-6.5!) USER MOD Single : A 1 LYS N :NH3+ 178:sc= 0 (180deg=-0.0058) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 178:sc= -0.615 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -0.986 (180deg=-1.24) USER MOD Single : A 30 ASN : amide:sc=-1.19e-05 X(o=-1.2e-05,f=-0.0047) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.681 F(o=-2.5,f=-0.68) USER MOD Single : A 46 ASN : amide:sc= -0.285 K(o=-0.28,f=-0.9) USER MOD Single : A 48 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0.318 (180deg=0.104) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 1.64 K(o=1.6,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.224 -27.204 0.508 1.00 22.35 N ATOM 2 CA LYS A 1 -5.689 -25.988 -0.143 1.00 34.44 C ATOM 3 C LYS A 1 -4.507 -25.081 -0.506 1.00 73.23 C ATOM 4 O LYS A 1 -3.808 -24.576 0.376 1.00 74.43 O ATOM 5 CB LYS A 1 -6.708 -25.232 0.748 1.00 74.34 C ATOM 6 CG LYS A 1 -6.214 -24.888 2.159 1.00 74.25 C ATOM 7 CD LYS A 1 -7.219 -24.025 2.919 1.00 52.14 C ATOM 8 CE LYS A 1 -8.569 -24.708 3.080 1.00 53.02 C ATOM 9 NZ LYS A 1 -9.531 -23.850 3.801 1.00 51.03 N ATOM 0 H1 LYS A 1 -6.041 -27.789 0.776 1.00 22.35 H new ATOM 0 H2 LYS A 1 -4.616 -27.737 -0.146 1.00 22.35 H new ATOM 0 H3 LYS A 1 -4.682 -26.956 1.360 1.00 22.35 H new ATOM 0 HA LYS A 1 -6.197 -26.274 -1.064 1.00 34.44 H new ATOM 0 HB2 LYS A 1 -6.991 -24.308 0.244 1.00 74.34 H new ATOM 0 HB3 LYS A 1 -7.610 -25.837 0.834 1.00 74.34 H new ATOM 0 HG2 LYS A 1 -6.032 -25.808 2.714 1.00 74.25 H new ATOM 0 HG3 LYS A 1 -5.261 -24.362 2.092 1.00 74.25 H new ATOM 0 HD2 LYS A 1 -6.817 -23.786 3.903 1.00 52.14 H new ATOM 0 HD3 LYS A 1 -7.354 -23.080 2.392 1.00 52.14 H new ATOM 0 HE2 LYS A 1 -8.970 -24.959 2.098 1.00 53.02 H new ATOM 0 HE3 LYS A 1 -8.441 -25.646 3.621 1.00 53.02 H new ATOM 0 HZ1 LYS A 1 -10.440 -24.348 3.892 1.00 51.03 H new ATOM 0 HZ2 LYS A 1 -9.160 -23.631 4.747 1.00 51.03 H new ATOM 0 HZ3 LYS A 1 -9.672 -22.966 3.272 1.00 51.03 H new ATOM 23 N PRO A 2 -4.255 -24.858 -1.810 1.00 2.02 N ATOM 24 CA PRO A 2 -3.150 -24.003 -2.255 1.00 31.51 C ATOM 25 C PRO A 2 -3.490 -22.522 -2.127 1.00 1.05 C ATOM 26 O PRO A 2 -2.621 -21.659 -2.254 1.00 22.51 O ATOM 27 CB PRO A 2 -2.970 -24.365 -3.742 1.00 53.21 C ATOM 28 CG PRO A 2 -3.974 -25.442 -4.043 1.00 11.04 C ATOM 29 CD PRO A 2 -4.997 -25.417 -2.949 1.00 11.31 C ATOM 0 HA PRO A 2 -2.255 -24.162 -1.654 1.00 31.51 H new ATOM 0 HB2 PRO A 2 -3.134 -23.494 -4.376 1.00 53.21 H new ATOM 0 HB3 PRO A 2 -1.956 -24.714 -3.936 1.00 53.21 H new ATOM 0 HG2 PRO A 2 -4.443 -25.270 -5.012 1.00 11.04 H new ATOM 0 HG3 PRO A 2 -3.489 -26.417 -4.093 1.00 11.04 H new ATOM 0 HD2 PRO A 2 -5.855 -24.799 -3.214 1.00 11.31 H new ATOM 0 HD3 PRO A 2 -5.378 -26.415 -2.731 1.00 11.31 H new ATOM 37 N VAL A 3 -4.761 -22.252 -1.850 1.00 30.33 N ATOM 38 CA VAL A 3 -5.309 -20.907 -1.750 1.00 63.12 C ATOM 39 C VAL A 3 -5.281 -20.243 -3.107 1.00 22.34 C ATOM 40 O VAL A 3 -4.405 -19.420 -3.425 1.00 0.00 O ATOM 41 CB VAL A 3 -4.648 -20.018 -0.653 1.00 41.41 C ATOM 42 CG1 VAL A 3 -5.332 -18.652 -0.556 1.00 71.22 C ATOM 43 CG2 VAL A 3 -4.700 -20.722 0.685 1.00 50.41 C ATOM 0 H VAL A 3 -5.455 -22.981 -1.685 1.00 30.33 H new ATOM 0 HA VAL A 3 -6.342 -21.015 -1.418 1.00 63.12 H new ATOM 0 HB VAL A 3 -3.608 -19.853 -0.934 1.00 41.41 H new ATOM 0 HG11 VAL A 3 -4.847 -18.057 0.218 1.00 71.22 H new ATOM 0 HG12 VAL A 3 -5.253 -18.137 -1.513 1.00 71.22 H new ATOM 0 HG13 VAL A 3 -6.383 -18.789 -0.303 1.00 71.22 H new ATOM 0 HG21 VAL A 3 -4.236 -20.094 1.445 1.00 50.41 H new ATOM 0 HG22 VAL A 3 -5.739 -20.912 0.956 1.00 50.41 H new ATOM 0 HG23 VAL A 3 -4.163 -21.668 0.619 1.00 50.41 H new ATOM 53 N SER A 4 -6.185 -20.696 -3.929 1.00 13.43 N ATOM 54 CA SER A 4 -6.351 -20.228 -5.261 1.00 63.33 C ATOM 55 C SER A 4 -7.568 -20.880 -5.847 1.00 42.04 C ATOM 56 O SER A 4 -7.624 -22.108 -5.982 1.00 53.35 O ATOM 57 CB SER A 4 -5.117 -20.555 -6.132 1.00 2.10 C ATOM 58 OG SER A 4 -5.294 -20.106 -7.475 1.00 72.05 O ATOM 0 H SER A 4 -6.847 -21.428 -3.673 1.00 13.43 H new ATOM 0 HA SER A 4 -6.466 -19.144 -5.242 1.00 63.33 H new ATOM 0 HB2 SER A 4 -4.232 -20.085 -5.703 1.00 2.10 H new ATOM 0 HB3 SER A 4 -4.941 -21.631 -6.127 1.00 2.10 H new ATOM 0 HG SER A 4 -4.484 -20.297 -7.993 1.00 72.05 H new ATOM 64 N LEU A 5 -8.544 -20.098 -6.133 1.00 4.23 N ATOM 65 CA LEU A 5 -9.703 -20.565 -6.809 1.00 73.11 C ATOM 66 C LEU A 5 -9.854 -19.608 -7.946 1.00 3.34 C ATOM 67 O LEU A 5 -10.631 -18.643 -7.871 1.00 20.12 O ATOM 68 CB LEU A 5 -10.931 -20.569 -5.862 1.00 35.40 C ATOM 69 CG LEU A 5 -12.194 -21.357 -6.294 1.00 41.45 C ATOM 70 CD1 LEU A 5 -13.222 -21.300 -5.199 1.00 53.24 C ATOM 71 CD2 LEU A 5 -12.803 -20.844 -7.591 1.00 31.32 C ATOM 0 H LEU A 5 -8.563 -19.105 -5.903 1.00 4.23 H new ATOM 0 HA LEU A 5 -9.621 -21.595 -7.156 1.00 73.11 H new ATOM 0 HB2 LEU A 5 -10.606 -20.964 -4.900 1.00 35.40 H new ATOM 0 HB3 LEU A 5 -11.227 -19.533 -5.698 1.00 35.40 H new ATOM 0 HG LEU A 5 -11.881 -22.385 -6.474 1.00 41.45 H new ATOM 0 HD11 LEU A 5 -14.110 -21.854 -5.504 1.00 53.24 H new ATOM 0 HD12 LEU A 5 -12.812 -21.743 -4.291 1.00 53.24 H new ATOM 0 HD13 LEU A 5 -13.491 -20.261 -5.006 1.00 53.24 H new ATOM 0 HD21 LEU A 5 -13.683 -21.437 -7.839 1.00 31.32 H new ATOM 0 HD22 LEU A 5 -13.091 -19.800 -7.470 1.00 31.32 H new ATOM 0 HD23 LEU A 5 -12.071 -20.927 -8.395 1.00 31.32 H new ATOM 83 N SER A 6 -9.010 -19.821 -8.952 1.00 22.21 N ATOM 84 CA SER A 6 -8.848 -18.905 -10.051 1.00 34.10 C ATOM 85 C SER A 6 -8.535 -17.515 -9.490 1.00 74.41 C ATOM 86 O SER A 6 -9.413 -16.631 -9.452 1.00 30.24 O ATOM 87 CB SER A 6 -10.089 -18.885 -10.950 1.00 62.31 C ATOM 88 OG SER A 6 -10.354 -20.182 -11.470 1.00 43.14 O ATOM 0 H SER A 6 -8.417 -20.648 -9.017 1.00 22.21 H new ATOM 0 HA SER A 6 -8.019 -19.234 -10.678 1.00 34.10 H new ATOM 0 HB2 SER A 6 -10.950 -18.533 -10.382 1.00 62.31 H new ATOM 0 HB3 SER A 6 -9.939 -18.183 -11.770 1.00 62.31 H new ATOM 0 HG SER A 6 -11.151 -20.149 -12.040 1.00 43.14 H new ATOM 94 N TYR A 7 -7.308 -17.335 -8.977 1.00 61.20 N ATOM 95 CA TYR A 7 -6.990 -16.102 -8.300 1.00 31.54 C ATOM 96 C TYR A 7 -6.992 -14.922 -9.248 1.00 45.32 C ATOM 97 O TYR A 7 -6.157 -14.805 -10.161 1.00 54.53 O ATOM 98 CB TYR A 7 -5.730 -16.169 -7.401 1.00 2.43 C ATOM 99 CG TYR A 7 -4.412 -16.274 -8.101 1.00 75.53 C ATOM 100 CD1 TYR A 7 -3.933 -17.480 -8.560 1.00 71.21 C ATOM 101 CD2 TYR A 7 -3.645 -15.142 -8.299 1.00 61.45 C ATOM 102 CE1 TYR A 7 -2.721 -17.559 -9.198 1.00 65.32 C ATOM 103 CE2 TYR A 7 -2.443 -15.206 -8.930 1.00 44.50 C ATOM 104 CZ TYR A 7 -1.976 -16.412 -9.384 1.00 53.51 C ATOM 105 OH TYR A 7 -0.757 -16.476 -10.027 1.00 62.32 O ATOM 0 H TYR A 7 -6.550 -18.016 -9.023 1.00 61.20 H new ATOM 0 HA TYR A 7 -7.802 -15.939 -7.592 1.00 31.54 H new ATOM 0 HB2 TYR A 7 -5.712 -15.278 -6.773 1.00 2.43 H new ATOM 0 HB3 TYR A 7 -5.832 -17.026 -6.736 1.00 2.43 H new ATOM 0 HD1 TYR A 7 -4.519 -18.376 -8.416 1.00 71.21 H new ATOM 0 HD2 TYR A 7 -4.008 -14.188 -7.946 1.00 61.45 H new ATOM 0 HE1 TYR A 7 -2.353 -18.511 -9.552 1.00 65.32 H new ATOM 0 HE2 TYR A 7 -1.858 -14.310 -9.073 1.00 44.50 H new ATOM 0 HH TYR A 7 -0.365 -15.579 -10.075 1.00 62.32 H new ATOM 115 N ARG A 8 -7.976 -14.093 -9.061 1.00 11.40 N ATOM 116 CA ARG A 8 -8.179 -12.915 -9.864 1.00 3.53 C ATOM 117 C ARG A 8 -7.507 -11.723 -9.211 1.00 2.23 C ATOM 118 O ARG A 8 -7.273 -10.700 -9.846 1.00 10.33 O ATOM 119 CB ARG A 8 -9.687 -12.637 -9.984 1.00 60.02 C ATOM 120 CG ARG A 8 -10.343 -12.371 -8.634 1.00 13.44 C ATOM 121 CD ARG A 8 -11.826 -12.076 -8.721 1.00 34.01 C ATOM 122 NE ARG A 8 -12.352 -11.728 -7.393 1.00 21.22 N ATOM 123 CZ ARG A 8 -13.639 -11.722 -7.034 1.00 14.54 C ATOM 124 NH1 ARG A 8 -14.576 -12.105 -7.885 1.00 13.01 N ATOM 125 NH2 ARG A 8 -13.982 -11.351 -5.805 1.00 45.22 N ATOM 0 H ARG A 8 -8.677 -14.216 -8.331 1.00 11.40 H new ATOM 0 HA ARG A 8 -7.749 -13.077 -10.852 1.00 3.53 H new ATOM 0 HB2 ARG A 8 -9.844 -11.777 -10.636 1.00 60.02 H new ATOM 0 HB3 ARG A 8 -10.173 -13.489 -10.459 1.00 60.02 H new ATOM 0 HG2 ARG A 8 -10.192 -13.238 -7.990 1.00 13.44 H new ATOM 0 HG3 ARG A 8 -9.842 -11.529 -8.157 1.00 13.44 H new ATOM 0 HD2 ARG A 8 -12.001 -11.255 -9.416 1.00 34.01 H new ATOM 0 HD3 ARG A 8 -12.355 -12.944 -9.114 1.00 34.01 H new ATOM 0 HE ARG A 8 -11.671 -11.467 -6.680 1.00 21.22 H new ATOM 0 HH11 ARG A 8 -14.319 -12.408 -8.824 1.00 13.01 H new ATOM 0 HH12 ARG A 8 -15.556 -12.097 -7.602 1.00 13.01 H new ATOM 0 HH21 ARG A 8 -13.263 -11.071 -5.137 1.00 45.22 H new ATOM 0 HH22 ARG A 8 -14.964 -11.346 -5.529 1.00 45.22 H new ATOM 139 N CYS A 9 -7.183 -11.860 -7.948 1.00 44.41 N ATOM 140 CA CYS A 9 -6.658 -10.758 -7.205 1.00 64.15 C ATOM 141 C CYS A 9 -5.286 -11.047 -6.629 1.00 72.12 C ATOM 142 O CYS A 9 -5.017 -12.163 -6.166 1.00 53.42 O ATOM 143 CB CYS A 9 -7.646 -10.324 -6.137 1.00 4.13 C ATOM 144 SG CYS A 9 -9.227 -9.783 -6.848 1.00 34.34 S ATOM 0 H CYS A 9 -7.277 -12.727 -7.420 1.00 44.41 H new ATOM 0 HA CYS A 9 -6.519 -9.928 -7.897 1.00 64.15 H new ATOM 0 HB2 CYS A 9 -7.822 -11.151 -5.449 1.00 4.13 H new ATOM 0 HB3 CYS A 9 -7.214 -9.511 -5.553 1.00 4.13 H new ATOM 149 N PRO A 10 -4.392 -10.048 -6.692 1.00 1.01 N ATOM 150 CA PRO A 10 -3.009 -10.158 -6.209 1.00 23.42 C ATOM 151 C PRO A 10 -2.886 -10.415 -4.694 1.00 75.33 C ATOM 152 O PRO A 10 -2.305 -11.427 -4.270 1.00 3.31 O ATOM 153 CB PRO A 10 -2.399 -8.786 -6.571 1.00 71.40 C ATOM 154 CG PRO A 10 -3.282 -8.260 -7.632 1.00 34.22 C ATOM 155 CD PRO A 10 -4.645 -8.713 -7.275 1.00 23.11 C ATOM 0 HA PRO A 10 -2.507 -11.014 -6.660 1.00 23.42 H new ATOM 0 HB2 PRO A 10 -2.376 -8.121 -5.708 1.00 71.40 H new ATOM 0 HB3 PRO A 10 -1.372 -8.888 -6.923 1.00 71.40 H new ATOM 0 HG2 PRO A 10 -3.231 -7.172 -7.681 1.00 34.22 H new ATOM 0 HG3 PRO A 10 -2.987 -8.638 -8.611 1.00 34.22 H new ATOM 0 HD2 PRO A 10 -5.123 -8.042 -6.561 1.00 23.11 H new ATOM 0 HD3 PRO A 10 -5.297 -8.767 -8.147 1.00 23.11 H new ATOM 163 N CYS A 11 -3.431 -9.536 -3.890 1.00 61.10 N ATOM 164 CA CYS A 11 -3.249 -9.633 -2.461 1.00 30.53 C ATOM 165 C CYS A 11 -4.432 -10.230 -1.728 1.00 2.12 C ATOM 166 O CYS A 11 -5.477 -9.601 -1.572 1.00 52.55 O ATOM 167 CB CYS A 11 -2.854 -8.286 -1.865 1.00 40.22 C ATOM 168 SG CYS A 11 -1.232 -7.687 -2.438 1.00 52.40 S ATOM 0 H CYS A 11 -4.002 -8.749 -4.197 1.00 61.10 H new ATOM 0 HA CYS A 11 -2.429 -10.336 -2.316 1.00 30.53 H new ATOM 0 HB2 CYS A 11 -3.615 -7.548 -2.118 1.00 40.22 H new ATOM 0 HB3 CYS A 11 -2.839 -8.369 -0.778 1.00 40.22 H new ATOM 173 N ARG A 12 -4.256 -11.461 -1.291 1.00 20.23 N ATOM 174 CA ARG A 12 -5.245 -12.148 -0.470 1.00 50.33 C ATOM 175 C ARG A 12 -4.838 -12.010 1.007 1.00 70.35 C ATOM 176 O ARG A 12 -5.533 -12.458 1.920 1.00 34.44 O ATOM 177 CB ARG A 12 -5.330 -13.636 -0.892 1.00 12.41 C ATOM 178 CG ARG A 12 -6.341 -14.520 -0.122 1.00 33.21 C ATOM 179 CD ARG A 12 -7.791 -14.029 -0.243 1.00 3.32 C ATOM 180 NE ARG A 12 -8.031 -12.751 0.448 1.00 64.51 N ATOM 181 CZ ARG A 12 -9.039 -11.909 0.176 1.00 31.31 C ATOM 182 NH1 ARG A 12 -9.887 -12.169 -0.811 1.00 23.23 N ATOM 183 NH2 ARG A 12 -9.183 -10.805 0.884 1.00 2.11 N ATOM 0 H ARG A 12 -3.425 -12.017 -1.493 1.00 20.23 H new ATOM 0 HA ARG A 12 -6.231 -11.705 -0.608 1.00 50.33 H new ATOM 0 HB2 ARG A 12 -5.582 -13.675 -1.952 1.00 12.41 H new ATOM 0 HB3 ARG A 12 -4.340 -14.078 -0.783 1.00 12.41 H new ATOM 0 HG2 ARG A 12 -6.278 -15.542 -0.496 1.00 33.21 H new ATOM 0 HG3 ARG A 12 -6.061 -14.548 0.931 1.00 33.21 H new ATOM 0 HD2 ARG A 12 -8.043 -13.917 -1.298 1.00 3.32 H new ATOM 0 HD3 ARG A 12 -8.460 -14.787 0.166 1.00 3.32 H new ATOM 0 HE ARG A 12 -7.382 -12.486 1.189 1.00 64.51 H new ATOM 0 HH11 ARG A 12 -9.775 -13.015 -1.370 1.00 23.23 H new ATOM 0 HH12 ARG A 12 -10.651 -11.523 -1.011 1.00 23.23 H new ATOM 0 HH21 ARG A 12 -8.528 -10.593 1.637 1.00 2.11 H new ATOM 0 HH22 ARG A 12 -9.949 -10.164 0.678 1.00 2.11 H new ATOM 197 N PHE A 13 -3.724 -11.357 1.208 1.00 60.32 N ATOM 198 CA PHE A 13 -3.144 -11.147 2.507 1.00 45.40 C ATOM 199 C PHE A 13 -2.581 -9.747 2.551 1.00 63.21 C ATOM 200 O PHE A 13 -2.219 -9.210 1.510 1.00 12.11 O ATOM 201 CB PHE A 13 -2.022 -12.180 2.750 1.00 44.45 C ATOM 202 CG PHE A 13 -0.921 -12.158 1.700 1.00 74.11 C ATOM 203 CD1 PHE A 13 -1.033 -12.919 0.545 1.00 72.32 C ATOM 204 CD2 PHE A 13 0.215 -11.374 1.866 1.00 42.34 C ATOM 205 CE1 PHE A 13 -0.046 -12.900 -0.416 1.00 14.43 C ATOM 206 CE2 PHE A 13 1.204 -11.353 0.904 1.00 25.22 C ATOM 207 CZ PHE A 13 1.074 -12.117 -0.239 1.00 42.25 C ATOM 0 H PHE A 13 -3.180 -10.945 0.450 1.00 60.32 H new ATOM 0 HA PHE A 13 -3.899 -11.269 3.284 1.00 45.40 H new ATOM 0 HB2 PHE A 13 -1.580 -11.997 3.729 1.00 44.45 H new ATOM 0 HB3 PHE A 13 -2.461 -13.177 2.780 1.00 44.45 H new ATOM 0 HD1 PHE A 13 -1.907 -13.536 0.397 1.00 72.32 H new ATOM 0 HD2 PHE A 13 0.325 -10.775 2.758 1.00 42.34 H new ATOM 0 HE1 PHE A 13 -0.150 -13.499 -1.309 1.00 14.43 H new ATOM 0 HE2 PHE A 13 2.081 -10.738 1.045 1.00 25.22 H new ATOM 0 HZ PHE A 13 1.848 -12.101 -0.992 1.00 42.25 H new ATOM 217 N PHE A 14 -2.586 -9.135 3.711 1.00 53.41 N ATOM 218 CA PHE A 14 -1.983 -7.822 3.894 1.00 43.25 C ATOM 219 C PHE A 14 -1.188 -7.806 5.179 1.00 73.00 C ATOM 220 O PHE A 14 -1.531 -8.502 6.158 1.00 52.30 O ATOM 221 CB PHE A 14 -3.037 -6.708 3.939 1.00 30.30 C ATOM 222 CG PHE A 14 -3.949 -6.620 2.750 1.00 31.33 C ATOM 223 CD1 PHE A 14 -5.136 -7.337 2.725 1.00 10.42 C ATOM 224 CD2 PHE A 14 -3.631 -5.825 1.668 1.00 73.02 C ATOM 225 CE1 PHE A 14 -5.983 -7.265 1.644 1.00 41.52 C ATOM 226 CE2 PHE A 14 -4.474 -5.748 0.586 1.00 2.03 C ATOM 227 CZ PHE A 14 -5.652 -6.470 0.573 1.00 40.34 C ATOM 0 H PHE A 14 -3.004 -9.525 4.556 1.00 53.41 H new ATOM 0 HA PHE A 14 -1.332 -7.635 3.040 1.00 43.25 H new ATOM 0 HB2 PHE A 14 -3.647 -6.848 4.831 1.00 30.30 H new ATOM 0 HB3 PHE A 14 -2.524 -5.753 4.050 1.00 30.30 H new ATOM 0 HD1 PHE A 14 -5.399 -7.961 3.567 1.00 10.42 H new ATOM 0 HD2 PHE A 14 -2.712 -5.258 1.672 1.00 73.02 H new ATOM 0 HE1 PHE A 14 -6.903 -7.830 1.637 1.00 41.52 H new ATOM 0 HE2 PHE A 14 -4.216 -5.122 -0.256 1.00 2.03 H new ATOM 0 HZ PHE A 14 -6.313 -6.410 -0.279 1.00 40.34 H new ATOM 237 N GLU A 15 -0.161 -7.050 5.177 1.00 23.31 N ATOM 238 CA GLU A 15 0.658 -6.840 6.304 1.00 4.42 C ATOM 239 C GLU A 15 0.161 -5.674 7.112 1.00 3.24 C ATOM 240 O GLU A 15 0.028 -4.553 6.611 1.00 34.04 O ATOM 241 CB GLU A 15 2.121 -6.636 5.880 1.00 1.42 C ATOM 242 CG GLU A 15 2.907 -7.921 5.607 1.00 40.04 C ATOM 243 CD GLU A 15 2.248 -8.896 4.637 1.00 75.10 C ATOM 244 OE1 GLU A 15 2.382 -8.729 3.407 1.00 64.33 O ATOM 245 OE2 GLU A 15 1.613 -9.874 5.119 1.00 35.40 O ATOM 0 H GLU A 15 0.147 -6.536 4.351 1.00 23.31 H new ATOM 0 HA GLU A 15 0.611 -7.728 6.934 1.00 4.42 H new ATOM 0 HB2 GLU A 15 2.139 -6.020 4.981 1.00 1.42 H new ATOM 0 HB3 GLU A 15 2.634 -6.075 6.661 1.00 1.42 H new ATOM 0 HG2 GLU A 15 3.887 -7.651 5.214 1.00 40.04 H new ATOM 0 HG3 GLU A 15 3.073 -8.434 6.554 1.00 40.04 H new ATOM 252 N SER A 16 -0.142 -5.953 8.339 1.00 4.20 N ATOM 253 CA SER A 16 -0.513 -4.965 9.281 1.00 20.44 C ATOM 254 C SER A 16 0.683 -4.776 10.195 1.00 15.25 C ATOM 255 O SER A 16 1.485 -5.723 10.347 1.00 15.42 O ATOM 256 CB SER A 16 -1.767 -5.421 10.041 1.00 72.33 C ATOM 257 OG SER A 16 -1.591 -6.718 10.625 1.00 1.40 O ATOM 0 H SER A 16 -0.136 -6.901 8.716 1.00 4.20 H new ATOM 0 HA SER A 16 -0.768 -4.015 8.810 1.00 20.44 H new ATOM 0 HB2 SER A 16 -2.001 -4.699 10.823 1.00 72.33 H new ATOM 0 HB3 SER A 16 -2.618 -5.441 9.360 1.00 72.33 H new ATOM 0 HG SER A 16 -2.407 -6.976 11.102 1.00 1.40 H new ATOM 263 N HIS A 17 0.827 -3.596 10.786 1.00 34.11 N ATOM 264 CA HIS A 17 2.013 -3.260 11.574 1.00 22.33 C ATOM 265 C HIS A 17 3.249 -3.326 10.674 1.00 43.12 C ATOM 266 O HIS A 17 3.935 -4.349 10.592 1.00 14.21 O ATOM 267 CB HIS A 17 2.142 -4.161 12.841 1.00 41.44 C ATOM 268 CG HIS A 17 3.357 -3.919 13.705 1.00 62.21 C ATOM 269 ND1 HIS A 17 3.341 -3.131 14.832 1.00 22.33 N ATOM 270 CD2 HIS A 17 4.617 -4.411 13.621 1.00 43.10 C ATOM 271 CE1 HIS A 17 4.528 -3.149 15.397 1.00 1.41 C ATOM 272 NE2 HIS A 17 5.317 -3.918 14.680 1.00 13.44 N ATOM 0 H HIS A 17 0.134 -2.849 10.735 1.00 34.11 H new ATOM 0 HA HIS A 17 1.918 -2.242 11.951 1.00 22.33 H new ATOM 0 HB2 HIS A 17 1.251 -4.021 13.454 1.00 41.44 H new ATOM 0 HB3 HIS A 17 2.149 -5.203 12.522 1.00 41.44 H new ATOM 0 HD2 HIS A 17 4.996 -5.072 12.856 1.00 43.10 H new ATOM 0 HE1 HIS A 17 4.807 -2.622 16.297 1.00 1.41 H new ATOM 0 HE2 HIS A 17 6.297 -4.114 14.884 1.00 13.44 H new ATOM 281 N VAL A 18 3.461 -2.268 9.936 1.00 22.32 N ATOM 282 CA VAL A 18 4.566 -2.163 9.002 1.00 34.11 C ATOM 283 C VAL A 18 5.258 -0.828 9.281 1.00 40.23 C ATOM 284 O VAL A 18 4.664 0.026 9.935 1.00 31.02 O ATOM 285 CB VAL A 18 4.056 -2.239 7.512 1.00 51.11 C ATOM 286 CG1 VAL A 18 5.205 -2.206 6.517 1.00 43.23 C ATOM 287 CG2 VAL A 18 3.219 -3.493 7.283 1.00 21.51 C ATOM 0 H VAL A 18 2.866 -1.440 9.963 1.00 22.32 H new ATOM 0 HA VAL A 18 5.263 -2.991 9.133 1.00 34.11 H new ATOM 0 HB VAL A 18 3.435 -1.358 7.348 1.00 51.11 H new ATOM 0 HG11 VAL A 18 4.810 -2.260 5.503 1.00 43.23 H new ATOM 0 HG12 VAL A 18 5.765 -1.279 6.639 1.00 43.23 H new ATOM 0 HG13 VAL A 18 5.865 -3.055 6.695 1.00 43.23 H new ATOM 0 HG21 VAL A 18 2.880 -3.520 6.247 1.00 21.51 H new ATOM 0 HG22 VAL A 18 3.823 -4.376 7.491 1.00 21.51 H new ATOM 0 HG23 VAL A 18 2.355 -3.480 7.947 1.00 21.51 H new ATOM 297 N ALA A 19 6.485 -0.647 8.852 1.00 11.31 N ATOM 298 CA ALA A 19 7.175 0.581 9.133 1.00 3.22 C ATOM 299 C ALA A 19 7.441 1.377 7.872 1.00 52.22 C ATOM 300 O ALA A 19 7.819 0.835 6.849 1.00 3.42 O ATOM 301 CB ALA A 19 8.474 0.306 9.876 1.00 1.43 C ATOM 0 H ALA A 19 7.018 -1.329 8.313 1.00 11.31 H new ATOM 0 HA ALA A 19 6.527 1.183 9.770 1.00 3.22 H new ATOM 0 HB1 ALA A 19 8.983 1.248 10.080 1.00 1.43 H new ATOM 0 HB2 ALA A 19 8.255 -0.200 10.817 1.00 1.43 H new ATOM 0 HB3 ALA A 19 9.116 -0.328 9.264 1.00 1.43 H new ATOM 307 N ARG A 20 7.234 2.661 7.950 1.00 73.31 N ATOM 308 CA ARG A 20 7.565 3.572 6.862 1.00 11.33 C ATOM 309 C ARG A 20 9.058 3.439 6.509 1.00 72.20 C ATOM 310 O ARG A 20 9.453 3.571 5.344 1.00 51.12 O ATOM 311 CB ARG A 20 7.246 5.014 7.306 1.00 75.33 C ATOM 312 CG ARG A 20 7.653 6.126 6.329 1.00 23.41 C ATOM 313 CD ARG A 20 6.900 6.061 5.010 1.00 10.42 C ATOM 314 NE ARG A 20 7.327 7.132 4.097 1.00 0.54 N ATOM 315 CZ ARG A 20 6.510 7.888 3.344 1.00 34.44 C ATOM 316 NH1 ARG A 20 5.192 7.792 3.470 1.00 64.31 N ATOM 317 NH2 ARG A 20 7.020 8.779 2.507 1.00 55.30 N ATOM 0 H ARG A 20 6.830 3.119 8.767 1.00 73.31 H new ATOM 0 HA ARG A 20 6.977 3.327 5.978 1.00 11.33 H new ATOM 0 HB2 ARG A 20 6.173 5.089 7.484 1.00 75.33 H new ATOM 0 HB3 ARG A 20 7.741 5.197 8.260 1.00 75.33 H new ATOM 0 HG2 ARG A 20 7.475 7.095 6.795 1.00 23.41 H new ATOM 0 HG3 ARG A 20 8.723 6.057 6.134 1.00 23.41 H new ATOM 0 HD2 ARG A 20 7.068 5.092 4.541 1.00 10.42 H new ATOM 0 HD3 ARG A 20 5.829 6.144 5.196 1.00 10.42 H new ATOM 0 HE ARG A 20 8.328 7.317 4.030 1.00 0.54 H new ATOM 0 HH11 ARG A 20 4.790 7.140 4.143 1.00 64.31 H new ATOM 0 HH12 ARG A 20 4.581 8.371 2.893 1.00 64.31 H new ATOM 0 HH21 ARG A 20 8.031 8.890 2.435 1.00 55.30 H new ATOM 0 HH22 ARG A 20 6.401 9.354 1.935 1.00 55.30 H new ATOM 331 N ALA A 21 9.858 3.168 7.527 1.00 11.44 N ATOM 332 CA ALA A 21 11.288 3.032 7.393 1.00 30.23 C ATOM 333 C ALA A 21 11.753 1.638 6.931 1.00 22.53 C ATOM 334 O ALA A 21 12.881 1.506 6.486 1.00 32.34 O ATOM 335 CB ALA A 21 11.978 3.416 8.685 1.00 33.24 C ATOM 0 H ALA A 21 9.522 3.036 8.481 1.00 11.44 H new ATOM 0 HA ALA A 21 11.576 3.718 6.597 1.00 30.23 H new ATOM 0 HB1 ALA A 21 13.056 3.308 8.568 1.00 33.24 H new ATOM 0 HB2 ALA A 21 11.742 4.451 8.930 1.00 33.24 H new ATOM 0 HB3 ALA A 21 11.634 2.765 9.489 1.00 33.24 H new ATOM 341 N ASN A 22 10.915 0.586 7.038 1.00 24.42 N ATOM 342 CA ASN A 22 11.391 -0.717 6.623 1.00 0.15 C ATOM 343 C ASN A 22 11.035 -0.983 5.170 1.00 34.43 C ATOM 344 O ASN A 22 11.591 -1.874 4.538 1.00 65.45 O ATOM 345 CB ASN A 22 10.912 -1.879 7.540 1.00 62.12 C ATOM 346 CG ASN A 22 9.476 -2.380 7.343 1.00 22.32 C ATOM 347 OD1 ASN A 22 8.585 -1.656 6.994 1.00 53.02 O ATOM 348 ND2 ASN A 22 9.275 -3.660 7.568 1.00 31.02 N ATOM 0 H ASN A 22 9.958 0.621 7.390 1.00 24.42 H new ATOM 0 HA ASN A 22 12.476 -0.690 6.723 1.00 0.15 H new ATOM 0 HB2 ASN A 22 11.587 -2.723 7.397 1.00 62.12 H new ATOM 0 HB3 ASN A 22 11.019 -1.558 8.576 1.00 62.12 H new ATOM 0 HD21 ASN A 22 8.344 -4.059 7.447 1.00 31.02 H new ATOM 0 HD22 ASN A 22 10.050 -4.254 7.864 1.00 31.02 H new ATOM 355 N VAL A 23 10.116 -0.199 4.647 1.00 35.32 N ATOM 356 CA VAL A 23 9.696 -0.317 3.267 1.00 61.44 C ATOM 357 C VAL A 23 10.564 0.559 2.377 1.00 62.22 C ATOM 358 O VAL A 23 10.771 1.736 2.666 1.00 74.22 O ATOM 359 CB VAL A 23 8.210 0.090 3.082 1.00 72.22 C ATOM 360 CG1 VAL A 23 7.806 -0.003 1.628 1.00 60.03 C ATOM 361 CG2 VAL A 23 7.305 -0.775 3.933 1.00 20.12 C ATOM 0 H VAL A 23 9.639 0.538 5.167 1.00 35.32 H new ATOM 0 HA VAL A 23 9.806 -1.364 2.984 1.00 61.44 H new ATOM 0 HB VAL A 23 8.103 1.125 3.406 1.00 72.22 H new ATOM 0 HG11 VAL A 23 6.761 0.287 1.522 1.00 60.03 H new ATOM 0 HG12 VAL A 23 8.430 0.665 1.034 1.00 60.03 H new ATOM 0 HG13 VAL A 23 7.936 -1.027 1.279 1.00 60.03 H new ATOM 0 HG21 VAL A 23 6.268 -0.471 3.787 1.00 20.12 H new ATOM 0 HG22 VAL A 23 7.421 -1.819 3.643 1.00 20.12 H new ATOM 0 HG23 VAL A 23 7.572 -0.658 4.983 1.00 20.12 H new ATOM 371 N LYS A 24 11.068 -0.006 1.307 1.00 4.01 N ATOM 372 CA LYS A 24 11.875 0.741 0.366 1.00 11.11 C ATOM 373 C LYS A 24 11.004 1.392 -0.686 1.00 31.42 C ATOM 374 O LYS A 24 11.244 2.524 -1.101 1.00 10.30 O ATOM 375 CB LYS A 24 12.892 -0.161 -0.356 1.00 34.42 C ATOM 376 CG LYS A 24 12.257 -1.307 -1.133 1.00 12.24 C ATOM 377 CD LYS A 24 13.160 -1.863 -2.199 1.00 40.45 C ATOM 378 CE LYS A 24 13.487 -0.801 -3.231 1.00 64.40 C ATOM 379 NZ LYS A 24 14.264 -1.344 -4.362 1.00 63.12 N ATOM 0 H LYS A 24 10.934 -0.987 1.063 1.00 4.01 H new ATOM 0 HA LYS A 24 12.406 1.497 0.944 1.00 11.11 H new ATOM 0 HB2 LYS A 24 13.481 0.448 -1.042 1.00 34.42 H new ATOM 0 HB3 LYS A 24 13.584 -0.572 0.379 1.00 34.42 H new ATOM 0 HG2 LYS A 24 11.988 -2.104 -0.440 1.00 12.24 H new ATOM 0 HG3 LYS A 24 11.332 -0.959 -1.593 1.00 12.24 H new ATOM 0 HD2 LYS A 24 14.080 -2.233 -1.747 1.00 40.45 H new ATOM 0 HD3 LYS A 24 12.679 -2.712 -2.684 1.00 40.45 H new ATOM 0 HE2 LYS A 24 12.562 -0.363 -3.605 1.00 64.40 H new ATOM 0 HE3 LYS A 24 14.051 0.002 -2.757 1.00 64.40 H new ATOM 0 HZ1 LYS A 24 14.465 -0.583 -5.042 1.00 63.12 H new ATOM 0 HZ2 LYS A 24 15.159 -1.739 -4.010 1.00 63.12 H new ATOM 0 HZ3 LYS A 24 13.716 -2.093 -4.832 1.00 63.12 H new ATOM 393 N HIS A 25 9.986 0.691 -1.089 1.00 55.13 N ATOM 394 CA HIS A 25 9.231 1.073 -2.239 1.00 2.25 C ATOM 395 C HIS A 25 7.781 0.654 -2.126 1.00 51.33 C ATOM 396 O HIS A 25 7.483 -0.518 -1.924 1.00 61.22 O ATOM 397 CB HIS A 25 9.918 0.433 -3.457 1.00 40.31 C ATOM 398 CG HIS A 25 9.217 0.542 -4.762 1.00 53.43 C ATOM 399 ND1 HIS A 25 8.618 1.692 -5.237 1.00 71.15 N ATOM 400 CD2 HIS A 25 9.012 -0.395 -5.684 1.00 62.21 C ATOM 401 CE1 HIS A 25 8.067 1.438 -6.403 1.00 32.01 C ATOM 402 NE2 HIS A 25 8.292 0.173 -6.699 1.00 32.11 N ATOM 0 H HIS A 25 9.658 -0.159 -0.630 1.00 55.13 H new ATOM 0 HA HIS A 25 9.211 2.158 -2.339 1.00 2.25 H new ATOM 0 HB2 HIS A 25 10.905 0.883 -3.564 1.00 40.31 H new ATOM 0 HB3 HIS A 25 10.071 -0.625 -3.242 1.00 40.31 H new ATOM 0 HD2 HIS A 25 9.352 -1.419 -5.639 1.00 62.21 H new ATOM 0 HE1 HIS A 25 7.524 2.144 -7.013 1.00 32.01 H new ATOM 0 HE2 HIS A 25 7.981 -0.304 -7.545 1.00 32.11 H new ATOM 411 N LEU A 26 6.911 1.625 -2.250 1.00 22.22 N ATOM 412 CA LEU A 26 5.476 1.420 -2.234 1.00 63.10 C ATOM 413 C LEU A 26 4.940 1.484 -3.656 1.00 34.41 C ATOM 414 O LEU A 26 5.356 2.339 -4.447 1.00 54.34 O ATOM 415 CB LEU A 26 4.800 2.513 -1.400 1.00 50.14 C ATOM 416 CG LEU A 26 5.118 2.543 0.098 1.00 14.42 C ATOM 417 CD1 LEU A 26 4.518 3.771 0.741 1.00 52.13 C ATOM 418 CD2 LEU A 26 4.561 1.314 0.769 1.00 70.33 C ATOM 0 H LEU A 26 7.182 2.601 -2.367 1.00 22.22 H new ATOM 0 HA LEU A 26 5.263 0.444 -1.797 1.00 63.10 H new ATOM 0 HB2 LEU A 26 5.073 3.480 -1.823 1.00 50.14 H new ATOM 0 HB3 LEU A 26 3.721 2.408 -1.515 1.00 50.14 H new ATOM 0 HG LEU A 26 6.201 2.568 0.217 1.00 14.42 H new ATOM 0 HD11 LEU A 26 4.754 3.776 1.805 1.00 52.13 H new ATOM 0 HD12 LEU A 26 4.931 4.665 0.273 1.00 52.13 H new ATOM 0 HD13 LEU A 26 3.436 3.759 0.609 1.00 52.13 H new ATOM 0 HD21 LEU A 26 4.792 1.344 1.834 1.00 70.33 H new ATOM 0 HD22 LEU A 26 3.480 1.284 0.633 1.00 70.33 H new ATOM 0 HD23 LEU A 26 5.007 0.424 0.326 1.00 70.33 H new ATOM 430 N LYS A 27 4.053 0.585 -3.981 1.00 3.03 N ATOM 431 CA LYS A 27 3.421 0.555 -5.274 1.00 25.34 C ATOM 432 C LYS A 27 2.000 0.050 -5.046 1.00 43.35 C ATOM 433 O LYS A 27 1.791 -1.132 -4.807 1.00 35.20 O ATOM 434 CB LYS A 27 4.200 -0.412 -6.194 1.00 3.01 C ATOM 435 CG LYS A 27 4.040 -0.192 -7.708 1.00 71.21 C ATOM 436 CD LYS A 27 2.632 -0.439 -8.229 1.00 71.21 C ATOM 437 CE LYS A 27 2.202 -1.876 -8.011 1.00 23.24 C ATOM 438 NZ LYS A 27 0.879 -2.144 -8.603 1.00 33.05 N ATOM 0 H LYS A 27 3.744 -0.155 -3.351 1.00 3.03 H new ATOM 0 HA LYS A 27 3.409 1.536 -5.748 1.00 25.34 H new ATOM 0 HB2 LYS A 27 5.259 -0.339 -5.948 1.00 3.01 H new ATOM 0 HB3 LYS A 27 3.888 -1.430 -5.962 1.00 3.01 H new ATOM 0 HG2 LYS A 27 4.330 0.831 -7.948 1.00 71.21 H new ATOM 0 HG3 LYS A 27 4.731 -0.851 -8.234 1.00 71.21 H new ATOM 0 HD2 LYS A 27 1.934 0.231 -7.726 1.00 71.21 H new ATOM 0 HD3 LYS A 27 2.590 -0.203 -9.292 1.00 71.21 H new ATOM 0 HE2 LYS A 27 2.940 -2.547 -8.450 1.00 23.24 H new ATOM 0 HE3 LYS A 27 2.173 -2.089 -6.942 1.00 23.24 H new ATOM 0 HZ1 LYS A 27 0.670 -3.161 -8.539 1.00 33.05 H new ATOM 0 HZ2 LYS A 27 0.153 -1.608 -8.087 1.00 33.05 H new ATOM 0 HZ3 LYS A 27 0.880 -1.853 -9.601 1.00 33.05 H new ATOM 452 N ILE A 28 1.049 0.918 -5.086 1.00 42.32 N ATOM 453 CA ILE A 28 -0.308 0.521 -4.765 1.00 12.55 C ATOM 454 C ILE A 28 -1.058 0.002 -6.010 1.00 64.33 C ATOM 455 O ILE A 28 -0.956 0.563 -7.090 1.00 74.21 O ATOM 456 CB ILE A 28 -1.110 1.642 -4.041 1.00 21.05 C ATOM 457 CG1 ILE A 28 -0.315 2.149 -2.831 1.00 13.40 C ATOM 458 CG2 ILE A 28 -2.431 1.081 -3.552 1.00 72.30 C ATOM 459 CD1 ILE A 28 -1.037 3.185 -1.982 1.00 72.24 C ATOM 0 H ILE A 28 1.167 1.901 -5.333 1.00 42.32 H new ATOM 0 HA ILE A 28 -0.226 -0.305 -4.058 1.00 12.55 H new ATOM 0 HB ILE A 28 -1.285 2.461 -4.738 1.00 21.05 H new ATOM 0 HG12 ILE A 28 -0.058 1.298 -2.200 1.00 13.40 H new ATOM 0 HG13 ILE A 28 0.623 2.579 -3.184 1.00 13.40 H new ATOM 0 HG21 ILE A 28 -2.994 1.865 -3.045 1.00 72.30 H new ATOM 0 HG22 ILE A 28 -3.007 0.713 -4.401 1.00 72.30 H new ATOM 0 HG23 ILE A 28 -2.244 0.262 -2.858 1.00 72.30 H new ATOM 0 HD11 ILE A 28 -0.398 3.484 -1.151 1.00 72.24 H new ATOM 0 HD12 ILE A 28 -1.270 4.057 -2.593 1.00 72.24 H new ATOM 0 HD13 ILE A 28 -1.961 2.757 -1.593 1.00 72.24 H new ATOM 471 N LEU A 29 -1.731 -1.117 -5.837 1.00 44.24 N ATOM 472 CA LEU A 29 -2.484 -1.809 -6.866 1.00 54.11 C ATOM 473 C LEU A 29 -3.993 -1.843 -6.527 1.00 43.33 C ATOM 474 O LEU A 29 -4.391 -2.413 -5.522 1.00 72.24 O ATOM 475 CB LEU A 29 -1.898 -3.227 -6.993 1.00 72.24 C ATOM 476 CG LEU A 29 -2.534 -4.196 -7.987 1.00 42.13 C ATOM 477 CD1 LEU A 29 -2.719 -3.542 -9.342 1.00 4.14 C ATOM 478 CD2 LEU A 29 -1.612 -5.386 -8.142 1.00 53.22 C ATOM 0 H LEU A 29 -1.770 -1.591 -4.935 1.00 44.24 H new ATOM 0 HA LEU A 29 -2.399 -1.285 -7.818 1.00 54.11 H new ATOM 0 HB2 LEU A 29 -0.845 -3.127 -7.256 1.00 72.24 H new ATOM 0 HB3 LEU A 29 -1.938 -3.691 -6.007 1.00 72.24 H new ATOM 0 HG LEU A 29 -3.512 -4.499 -7.613 1.00 42.13 H new ATOM 0 HD11 LEU A 29 -3.174 -4.254 -10.031 1.00 4.14 H new ATOM 0 HD12 LEU A 29 -3.367 -2.671 -9.240 1.00 4.14 H new ATOM 0 HD13 LEU A 29 -1.750 -3.230 -9.731 1.00 4.14 H new ATOM 0 HD21 LEU A 29 -2.046 -6.093 -8.849 1.00 53.22 H new ATOM 0 HD22 LEU A 29 -0.644 -5.050 -8.513 1.00 53.22 H new ATOM 0 HD23 LEU A 29 -1.481 -5.873 -7.176 1.00 53.22 H new ATOM 490 N ASN A 30 -4.819 -1.240 -7.345 1.00 13.10 N ATOM 491 CA ASN A 30 -6.258 -1.272 -7.077 1.00 0.32 C ATOM 492 C ASN A 30 -6.936 -2.335 -7.933 1.00 24.53 C ATOM 493 O ASN A 30 -6.667 -2.447 -9.134 1.00 33.44 O ATOM 494 CB ASN A 30 -6.940 0.108 -7.281 1.00 40.31 C ATOM 495 CG ASN A 30 -7.034 0.566 -8.738 1.00 20.24 C ATOM 496 OD1 ASN A 30 -8.013 0.279 -9.428 1.00 20.50 O ATOM 497 ND2 ASN A 30 -6.038 1.267 -9.210 1.00 52.14 N ATOM 0 H ASN A 30 -4.542 -0.730 -8.184 1.00 13.10 H new ATOM 0 HA ASN A 30 -6.377 -1.528 -6.024 1.00 0.32 H new ATOM 0 HB2 ASN A 30 -7.945 0.067 -6.862 1.00 40.31 H new ATOM 0 HB3 ASN A 30 -6.389 0.858 -6.714 1.00 40.31 H new ATOM 0 HD21 ASN A 30 -6.057 1.593 -10.176 1.00 52.14 H new ATOM 0 HD22 ASN A 30 -5.241 1.488 -8.612 1.00 52.14 H new ATOM 504 N THR A 31 -7.764 -3.139 -7.317 1.00 44.32 N ATOM 505 CA THR A 31 -8.510 -4.144 -8.026 1.00 0.01 C ATOM 506 C THR A 31 -10.017 -3.933 -7.755 1.00 43.31 C ATOM 507 O THR A 31 -10.403 -3.750 -6.610 1.00 1.43 O ATOM 508 CB THR A 31 -8.061 -5.555 -7.591 1.00 20.02 C ATOM 509 OG1 THR A 31 -6.646 -5.691 -7.801 1.00 71.11 O ATOM 510 CG2 THR A 31 -8.767 -6.629 -8.381 1.00 0.42 C ATOM 0 H THR A 31 -7.939 -3.115 -6.312 1.00 44.32 H new ATOM 0 HA THR A 31 -8.324 -4.055 -9.096 1.00 0.01 H new ATOM 0 HB THR A 31 -8.311 -5.674 -6.537 1.00 20.02 H new ATOM 0 HG1 THR A 31 -6.385 -6.628 -7.677 1.00 71.11 H new ATOM 0 HG21 THR A 31 -8.426 -7.609 -8.048 1.00 0.42 H new ATOM 0 HG22 THR A 31 -9.843 -6.547 -8.226 1.00 0.42 H new ATOM 0 HG23 THR A 31 -8.543 -6.508 -9.441 1.00 0.42 H new ATOM 518 N PRO A 32 -10.858 -3.946 -8.826 1.00 63.13 N ATOM 519 CA PRO A 32 -12.311 -3.690 -8.788 1.00 62.02 C ATOM 520 C PRO A 32 -13.059 -4.027 -7.471 1.00 61.10 C ATOM 521 O PRO A 32 -13.649 -3.142 -6.845 1.00 3.13 O ATOM 522 CB PRO A 32 -12.834 -4.557 -9.923 1.00 71.24 C ATOM 523 CG PRO A 32 -11.698 -4.676 -10.901 1.00 21.20 C ATOM 524 CD PRO A 32 -10.438 -4.197 -10.213 1.00 64.03 C ATOM 0 HA PRO A 32 -12.488 -2.618 -8.874 1.00 62.02 H new ATOM 0 HB2 PRO A 32 -13.140 -5.537 -9.558 1.00 71.24 H new ATOM 0 HB3 PRO A 32 -13.708 -4.104 -10.391 1.00 71.24 H new ATOM 0 HG2 PRO A 32 -11.584 -5.709 -11.229 1.00 21.20 H new ATOM 0 HG3 PRO A 32 -11.897 -4.079 -11.791 1.00 21.20 H new ATOM 0 HD2 PRO A 32 -9.648 -4.947 -10.261 1.00 64.03 H new ATOM 0 HD3 PRO A 32 -10.048 -3.293 -10.681 1.00 64.03 H new ATOM 532 N ASN A 33 -13.031 -5.277 -7.049 1.00 52.40 N ATOM 533 CA ASN A 33 -13.808 -5.691 -5.877 1.00 24.22 C ATOM 534 C ASN A 33 -12.921 -6.242 -4.790 1.00 41.04 C ATOM 535 O ASN A 33 -13.375 -6.538 -3.686 1.00 31.34 O ATOM 536 CB ASN A 33 -14.933 -6.693 -6.236 1.00 65.31 C ATOM 537 CG ASN A 33 -15.975 -6.106 -7.187 1.00 75.42 C ATOM 538 OD1 ASN A 33 -16.951 -5.477 -6.759 1.00 50.32 O ATOM 539 ND2 ASN A 33 -15.801 -6.336 -8.469 1.00 52.45 N ATOM 0 H ASN A 33 -12.489 -6.021 -7.488 1.00 52.40 H new ATOM 0 HA ASN A 33 -14.291 -4.792 -5.495 1.00 24.22 H new ATOM 0 HB2 ASN A 33 -14.491 -7.579 -6.692 1.00 65.31 H new ATOM 0 HB3 ASN A 33 -15.427 -7.019 -5.321 1.00 65.31 H new ATOM 0 HD21 ASN A 33 -16.482 -5.992 -9.146 1.00 52.45 H new ATOM 0 HD22 ASN A 33 -14.985 -6.858 -8.787 1.00 52.45 H new ATOM 546 N CYS A 34 -11.653 -6.387 -5.096 1.00 1.15 N ATOM 547 CA CYS A 34 -10.683 -6.803 -4.097 1.00 74.33 C ATOM 548 C CYS A 34 -10.058 -5.592 -3.458 1.00 11.32 C ATOM 549 O CYS A 34 -9.151 -5.698 -2.621 1.00 55.44 O ATOM 550 CB CYS A 34 -9.646 -7.733 -4.682 1.00 44.24 C ATOM 551 SG CYS A 34 -10.350 -9.305 -5.261 1.00 42.04 S ATOM 0 H CYS A 34 -11.265 -6.225 -6.025 1.00 1.15 H new ATOM 0 HA CYS A 34 -11.200 -7.369 -3.322 1.00 74.33 H new ATOM 0 HB2 CYS A 34 -9.148 -7.236 -5.514 1.00 44.24 H new ATOM 0 HB3 CYS A 34 -8.884 -7.937 -3.930 1.00 44.24 H new ATOM 556 N ALA A 35 -10.555 -4.430 -3.890 1.00 14.43 N ATOM 557 CA ALA A 35 -10.247 -3.145 -3.320 1.00 31.51 C ATOM 558 C ALA A 35 -8.804 -2.710 -3.548 1.00 0.53 C ATOM 559 O ALA A 35 -8.074 -3.270 -4.400 1.00 71.52 O ATOM 560 CB ALA A 35 -10.609 -3.149 -1.855 1.00 40.24 C ATOM 0 H ALA A 35 -11.204 -4.372 -4.674 1.00 14.43 H new ATOM 0 HA ALA A 35 -10.849 -2.399 -3.839 1.00 31.51 H new ATOM 0 HB1 ALA A 35 -10.377 -2.177 -1.420 1.00 40.24 H new ATOM 0 HB2 ALA A 35 -11.674 -3.351 -1.744 1.00 40.24 H new ATOM 0 HB3 ALA A 35 -10.038 -3.922 -1.341 1.00 40.24 H new ATOM 566 N LEU A 36 -8.419 -1.694 -2.814 1.00 73.45 N ATOM 567 CA LEU A 36 -7.172 -1.102 -2.889 1.00 55.44 C ATOM 568 C LEU A 36 -6.156 -1.962 -2.129 1.00 42.01 C ATOM 569 O LEU A 36 -6.314 -2.225 -0.931 1.00 55.11 O ATOM 570 CB LEU A 36 -7.311 0.274 -2.261 1.00 51.52 C ATOM 571 CG LEU A 36 -6.109 1.129 -2.312 1.00 5.34 C ATOM 572 CD1 LEU A 36 -5.772 1.477 -3.758 1.00 22.24 C ATOM 573 CD2 LEU A 36 -6.260 2.368 -1.453 1.00 42.12 C ATOM 0 H LEU A 36 -9.026 -1.259 -2.120 1.00 73.45 H new ATOM 0 HA LEU A 36 -6.819 -1.013 -3.917 1.00 55.44 H new ATOM 0 HB2 LEU A 36 -8.128 0.798 -2.757 1.00 51.52 H new ATOM 0 HB3 LEU A 36 -7.600 0.149 -1.218 1.00 51.52 H new ATOM 0 HG LEU A 36 -5.274 0.567 -1.894 1.00 5.34 H new ATOM 0 HD11 LEU A 36 -4.884 2.108 -3.783 1.00 22.24 H new ATOM 0 HD12 LEU A 36 -5.582 0.561 -4.318 1.00 22.24 H new ATOM 0 HD13 LEU A 36 -6.609 2.011 -4.208 1.00 22.24 H new ATOM 0 HD21 LEU A 36 -5.353 2.969 -1.519 1.00 42.12 H new ATOM 0 HD22 LEU A 36 -7.110 2.953 -1.805 1.00 42.12 H new ATOM 0 HD23 LEU A 36 -6.426 2.074 -0.417 1.00 42.12 H new ATOM 585 N GLN A 37 -5.154 -2.404 -2.832 1.00 22.24 N ATOM 586 CA GLN A 37 -4.129 -3.275 -2.305 1.00 43.11 C ATOM 587 C GLN A 37 -2.783 -2.622 -2.483 1.00 74.53 C ATOM 588 O GLN A 37 -2.441 -2.199 -3.558 1.00 70.35 O ATOM 589 CB GLN A 37 -4.174 -4.578 -3.081 1.00 41.32 C ATOM 590 CG GLN A 37 -5.441 -5.368 -2.862 1.00 24.30 C ATOM 591 CD GLN A 37 -5.745 -6.280 -4.004 1.00 51.34 C ATOM 592 OE1 GLN A 37 -5.308 -7.435 -4.057 1.00 65.25 O ATOM 593 NE2 GLN A 37 -6.519 -5.776 -4.913 1.00 64.41 N ATOM 0 H GLN A 37 -5.018 -2.166 -3.814 1.00 22.24 H new ATOM 0 HA GLN A 37 -4.294 -3.464 -1.244 1.00 43.11 H new ATOM 0 HB2 GLN A 37 -4.070 -4.362 -4.144 1.00 41.32 H new ATOM 0 HB3 GLN A 37 -3.319 -5.191 -2.795 1.00 41.32 H new ATOM 0 HG2 GLN A 37 -5.348 -5.953 -1.947 1.00 24.30 H new ATOM 0 HG3 GLN A 37 -6.275 -4.681 -2.717 1.00 24.30 H new ATOM 0 HE21 GLN A 37 -6.853 -4.817 -4.823 1.00 64.41 H new ATOM 0 HE22 GLN A 37 -6.794 -6.339 -5.718 1.00 64.41 H new ATOM 602 N ILE A 38 -2.032 -2.540 -1.457 1.00 44.54 N ATOM 603 CA ILE A 38 -0.754 -1.898 -1.552 1.00 72.43 C ATOM 604 C ILE A 38 0.320 -2.950 -1.675 1.00 53.02 C ATOM 605 O ILE A 38 0.275 -3.943 -0.994 1.00 31.23 O ATOM 606 CB ILE A 38 -0.501 -1.059 -0.298 1.00 20.41 C ATOM 607 CG1 ILE A 38 -1.610 -0.026 -0.120 1.00 13.33 C ATOM 608 CG2 ILE A 38 0.889 -0.404 -0.316 1.00 65.02 C ATOM 609 CD1 ILE A 38 -1.536 0.709 1.179 1.00 42.12 C ATOM 0 H ILE A 38 -2.267 -2.905 -0.534 1.00 44.54 H new ATOM 0 HA ILE A 38 -0.739 -1.249 -2.427 1.00 72.43 H new ATOM 0 HB ILE A 38 -0.516 -1.727 0.563 1.00 20.41 H new ATOM 0 HG12 ILE A 38 -1.561 0.692 -0.938 1.00 13.33 H new ATOM 0 HG13 ILE A 38 -2.576 -0.526 -0.191 1.00 13.33 H new ATOM 0 HG21 ILE A 38 1.027 0.182 0.593 1.00 65.02 H new ATOM 0 HG22 ILE A 38 1.655 -1.178 -0.368 1.00 65.02 H new ATOM 0 HG23 ILE A 38 0.972 0.249 -1.185 1.00 65.02 H new ATOM 0 HD11 ILE A 38 -2.354 1.427 1.238 1.00 42.12 H new ATOM 0 HD12 ILE A 38 -1.615 0.000 2.003 1.00 42.12 H new ATOM 0 HD13 ILE A 38 -0.585 1.237 1.245 1.00 42.12 H new ATOM 621 N VAL A 39 1.240 -2.754 -2.561 1.00 21.25 N ATOM 622 CA VAL A 39 2.355 -3.652 -2.703 1.00 71.24 C ATOM 623 C VAL A 39 3.598 -2.897 -2.301 1.00 63.33 C ATOM 624 O VAL A 39 3.822 -1.785 -2.761 1.00 44.43 O ATOM 625 CB VAL A 39 2.500 -4.154 -4.167 1.00 41.44 C ATOM 626 CG1 VAL A 39 3.692 -5.074 -4.320 1.00 22.30 C ATOM 627 CG2 VAL A 39 1.224 -4.837 -4.642 1.00 32.35 C ATOM 0 H VAL A 39 1.246 -1.968 -3.211 1.00 21.25 H new ATOM 0 HA VAL A 39 2.200 -4.528 -2.073 1.00 71.24 H new ATOM 0 HB VAL A 39 2.671 -3.281 -4.797 1.00 41.44 H new ATOM 0 HG11 VAL A 39 3.764 -5.407 -5.355 1.00 22.30 H new ATOM 0 HG12 VAL A 39 4.602 -4.539 -4.046 1.00 22.30 H new ATOM 0 HG13 VAL A 39 3.570 -5.939 -3.669 1.00 22.30 H new ATOM 0 HG21 VAL A 39 1.354 -5.178 -5.669 1.00 32.35 H new ATOM 0 HG22 VAL A 39 1.008 -5.692 -4.001 1.00 32.35 H new ATOM 0 HG23 VAL A 39 0.395 -4.131 -4.597 1.00 32.35 H new ATOM 637 N ALA A 40 4.365 -3.457 -1.430 1.00 43.25 N ATOM 638 CA ALA A 40 5.551 -2.805 -0.976 1.00 35.05 C ATOM 639 C ALA A 40 6.648 -3.794 -0.731 1.00 31.41 C ATOM 640 O ALA A 40 6.399 -4.893 -0.260 1.00 42.21 O ATOM 641 CB ALA A 40 5.254 -2.077 0.299 1.00 53.52 C ATOM 0 H ALA A 40 4.193 -4.372 -1.013 1.00 43.25 H new ATOM 0 HA ALA A 40 5.879 -2.107 -1.746 1.00 35.05 H new ATOM 0 HB1 ALA A 40 6.156 -1.577 0.651 1.00 53.52 H new ATOM 0 HB2 ALA A 40 4.474 -1.336 0.122 1.00 53.52 H new ATOM 0 HB3 ALA A 40 4.915 -2.787 1.053 1.00 53.52 H new ATOM 647 N ARG A 41 7.841 -3.438 -1.074 1.00 4.32 N ATOM 648 CA ARG A 41 8.960 -4.236 -0.733 1.00 25.51 C ATOM 649 C ARG A 41 9.766 -3.641 0.368 1.00 50.21 C ATOM 650 O ARG A 41 9.920 -2.416 0.460 1.00 23.24 O ATOM 651 CB ARG A 41 9.786 -4.601 -1.931 1.00 61.31 C ATOM 652 CG ARG A 41 9.472 -5.993 -2.394 1.00 41.05 C ATOM 653 CD ARG A 41 10.183 -6.368 -3.635 1.00 64.15 C ATOM 654 NE ARG A 41 9.870 -5.465 -4.754 1.00 54.51 N ATOM 655 CZ ARG A 41 10.435 -5.509 -5.972 1.00 62.23 C ATOM 656 NH1 ARG A 41 11.424 -6.356 -6.225 1.00 61.41 N ATOM 657 NH2 ARG A 41 10.022 -4.682 -6.925 1.00 64.14 N ATOM 0 H ARG A 41 8.062 -2.590 -1.596 1.00 4.32 H new ATOM 0 HA ARG A 41 8.567 -5.174 -0.342 1.00 25.51 H new ATOM 0 HB2 ARG A 41 9.596 -3.893 -2.738 1.00 61.31 H new ATOM 0 HB3 ARG A 41 10.845 -4.526 -1.684 1.00 61.31 H new ATOM 0 HG2 ARG A 41 9.733 -6.699 -1.606 1.00 41.05 H new ATOM 0 HG3 ARG A 41 8.398 -6.081 -2.557 1.00 41.05 H new ATOM 0 HD2 ARG A 41 11.258 -6.357 -3.452 1.00 64.15 H new ATOM 0 HD3 ARG A 41 9.916 -7.389 -3.909 1.00 64.15 H new ATOM 0 HE ARG A 41 9.165 -4.746 -4.591 1.00 54.51 H new ATOM 0 HH11 ARG A 41 11.761 -6.980 -5.492 1.00 61.41 H new ATOM 0 HH12 ARG A 41 11.848 -6.383 -7.153 1.00 61.41 H new ATOM 0 HH21 ARG A 41 9.276 -4.014 -6.732 1.00 64.14 H new ATOM 0 HH22 ARG A 41 10.451 -4.715 -7.850 1.00 64.14 H new ATOM 671 N LEU A 42 10.250 -4.497 1.220 1.00 53.04 N ATOM 672 CA LEU A 42 11.031 -4.080 2.352 1.00 33.04 C ATOM 673 C LEU A 42 12.473 -3.881 1.931 1.00 53.54 C ATOM 674 O LEU A 42 12.916 -4.437 0.923 1.00 20.02 O ATOM 675 CB LEU A 42 10.947 -5.118 3.466 1.00 5.43 C ATOM 676 CG LEU A 42 9.519 -5.573 3.840 1.00 14.11 C ATOM 677 CD1 LEU A 42 9.542 -6.630 4.920 1.00 40.13 C ATOM 678 CD2 LEU A 42 8.664 -4.387 4.271 1.00 12.23 C ATOM 0 H LEU A 42 10.115 -5.506 1.151 1.00 53.04 H new ATOM 0 HA LEU A 42 10.634 -3.137 2.728 1.00 33.04 H new ATOM 0 HB2 LEU A 42 11.523 -5.994 3.168 1.00 5.43 H new ATOM 0 HB3 LEU A 42 11.425 -4.710 4.357 1.00 5.43 H new ATOM 0 HG LEU A 42 9.072 -6.013 2.949 1.00 14.11 H new ATOM 0 HD11 LEU A 42 8.521 -6.928 5.159 1.00 40.13 H new ATOM 0 HD12 LEU A 42 10.100 -7.498 4.568 1.00 40.13 H new ATOM 0 HD13 LEU A 42 10.021 -6.228 5.813 1.00 40.13 H new ATOM 0 HD21 LEU A 42 7.664 -4.734 4.529 1.00 12.23 H new ATOM 0 HD22 LEU A 42 9.117 -3.908 5.139 1.00 12.23 H new ATOM 0 HD23 LEU A 42 8.599 -3.669 3.453 1.00 12.23 H new ATOM 690 N LYS A 43 13.181 -3.105 2.693 1.00 61.54 N ATOM 691 CA LYS A 43 14.560 -2.792 2.420 1.00 10.00 C ATOM 692 C LYS A 43 15.472 -3.985 2.691 1.00 50.04 C ATOM 693 O LYS A 43 15.966 -4.630 1.772 1.00 42.44 O ATOM 694 CB LYS A 43 14.988 -1.601 3.286 1.00 52.10 C ATOM 695 CG LYS A 43 14.216 -0.322 3.005 1.00 51.30 C ATOM 696 CD LYS A 43 14.526 0.773 4.009 1.00 50.03 C ATOM 697 CE LYS A 43 15.993 1.153 4.031 1.00 22.42 C ATOM 698 NZ LYS A 43 16.259 2.217 5.021 1.00 3.11 N ATOM 0 H LYS A 43 12.816 -2.662 3.536 1.00 61.54 H new ATOM 0 HA LYS A 43 14.652 -2.540 1.364 1.00 10.00 H new ATOM 0 HB2 LYS A 43 14.863 -1.865 4.336 1.00 52.10 H new ATOM 0 HB3 LYS A 43 16.050 -1.414 3.129 1.00 52.10 H new ATOM 0 HG2 LYS A 43 14.455 0.030 2.002 1.00 51.30 H new ATOM 0 HG3 LYS A 43 13.147 -0.535 3.022 1.00 51.30 H new ATOM 0 HD2 LYS A 43 13.931 1.655 3.773 1.00 50.03 H new ATOM 0 HD3 LYS A 43 14.226 0.443 5.004 1.00 50.03 H new ATOM 0 HE2 LYS A 43 16.594 0.275 4.267 1.00 22.42 H new ATOM 0 HE3 LYS A 43 16.298 1.491 3.041 1.00 22.42 H new ATOM 0 HZ1 LYS A 43 17.271 2.455 5.012 1.00 3.11 H new ATOM 0 HZ2 LYS A 43 15.703 3.062 4.780 1.00 3.11 H new ATOM 0 HZ3 LYS A 43 15.990 1.884 5.969 1.00 3.11 H new ATOM 712 N ASN A 44 15.647 -4.291 3.952 1.00 72.12 N ATOM 713 CA ASN A 44 16.619 -5.298 4.382 1.00 44.53 C ATOM 714 C ASN A 44 16.054 -6.701 4.229 1.00 54.14 C ATOM 715 O ASN A 44 16.750 -7.634 3.811 1.00 10.15 O ATOM 716 CB ASN A 44 17.057 -5.019 5.837 1.00 1.41 C ATOM 717 CG ASN A 44 18.151 -5.953 6.381 1.00 62.43 C ATOM 718 OD1 ASN A 44 18.191 -6.225 7.580 1.00 61.42 O ATOM 719 ND2 ASN A 44 19.048 -6.410 5.544 1.00 21.13 N ATOM 0 H ASN A 44 15.128 -3.858 4.716 1.00 72.12 H new ATOM 0 HA ASN A 44 17.499 -5.234 3.742 1.00 44.53 H new ATOM 0 HB2 ASN A 44 17.414 -3.991 5.902 1.00 1.41 H new ATOM 0 HB3 ASN A 44 16.183 -5.094 6.484 1.00 1.41 H new ATOM 0 HD21 ASN A 44 19.803 -7.007 5.881 1.00 21.13 H new ATOM 0 HD22 ASN A 44 18.992 -6.169 4.554 1.00 21.13 H new ATOM 726 N ASN A 45 14.775 -6.833 4.523 1.00 60.54 N ATOM 727 CA ASN A 45 14.107 -8.125 4.464 1.00 32.12 C ATOM 728 C ASN A 45 13.772 -8.465 3.010 1.00 61.54 C ATOM 729 O ASN A 45 13.675 -9.630 2.645 1.00 71.52 O ATOM 730 CB ASN A 45 12.864 -8.122 5.376 1.00 24.11 C ATOM 731 CG ASN A 45 12.180 -9.479 5.523 1.00 41.05 C ATOM 732 OD1 ASN A 45 10.905 -9.459 5.849 1.00 73.24 O flip ATOM 733 ND2 ASN A 45 12.805 -10.529 5.400 1.00 13.30 N flip ATOM 0 H ASN A 45 14.173 -6.060 4.807 1.00 60.54 H new ATOM 0 HA ASN A 45 14.770 -8.906 4.836 1.00 32.12 H new ATOM 0 HB2 ASN A 45 13.156 -7.768 6.365 1.00 24.11 H new ATOM 0 HB3 ASN A 45 12.142 -7.407 4.982 1.00 24.11 H new ATOM 0 HD21 ASN A 45 13.793 -10.508 5.146 1.00 13.30 H new ATOM 0 HD22 ASN A 45 12.336 -11.422 5.552 1.00 13.30 H new ATOM 740 N ASN A 46 13.621 -7.411 2.182 1.00 34.02 N ATOM 741 CA ASN A 46 13.423 -7.521 0.697 1.00 73.21 C ATOM 742 C ASN A 46 12.160 -8.324 0.335 1.00 43.34 C ATOM 743 O ASN A 46 11.977 -8.776 -0.797 1.00 43.51 O ATOM 744 CB ASN A 46 14.682 -8.154 0.049 1.00 2.22 C ATOM 745 CG ASN A 46 14.670 -8.104 -1.474 1.00 4.21 C ATOM 746 OD1 ASN A 46 14.123 -7.179 -2.071 1.00 11.24 O ATOM 747 ND2 ASN A 46 15.250 -9.092 -2.104 1.00 41.54 N ATOM 0 H ASN A 46 13.631 -6.447 2.514 1.00 34.02 H new ATOM 0 HA ASN A 46 13.278 -6.515 0.303 1.00 73.21 H new ATOM 0 HB2 ASN A 46 15.569 -7.637 0.415 1.00 2.22 H new ATOM 0 HB3 ASN A 46 14.764 -9.192 0.370 1.00 2.22 H new ATOM 0 HD21 ASN A 46 15.258 -9.112 -3.124 1.00 41.54 H new ATOM 0 HD22 ASN A 46 15.694 -9.843 -1.576 1.00 41.54 H new ATOM 754 N ARG A 47 11.275 -8.480 1.268 1.00 52.40 N ATOM 755 CA ARG A 47 10.083 -9.193 0.995 1.00 43.30 C ATOM 756 C ARG A 47 9.043 -8.306 0.444 1.00 65.52 C ATOM 757 O ARG A 47 8.967 -7.119 0.788 1.00 70.42 O ATOM 758 CB ARG A 47 9.570 -9.947 2.191 1.00 54.23 C ATOM 759 CG ARG A 47 10.467 -11.060 2.659 1.00 71.35 C ATOM 760 CD ARG A 47 9.789 -11.854 3.742 1.00 60.11 C ATOM 761 NE ARG A 47 8.567 -12.509 3.249 1.00 65.21 N ATOM 762 CZ ARG A 47 7.726 -13.251 3.984 1.00 64.24 C ATOM 763 NH1 ARG A 47 7.964 -13.467 5.271 1.00 72.41 N ATOM 764 NH2 ARG A 47 6.645 -13.775 3.422 1.00 20.32 N ATOM 0 H ARG A 47 11.361 -8.122 2.219 1.00 52.40 H new ATOM 0 HA ARG A 47 10.335 -9.937 0.239 1.00 43.30 H new ATOM 0 HB2 ARG A 47 9.425 -9.245 3.012 1.00 54.23 H new ATOM 0 HB3 ARG A 47 8.592 -10.363 1.950 1.00 54.23 H new ATOM 0 HG2 ARG A 47 10.716 -11.712 1.822 1.00 71.35 H new ATOM 0 HG3 ARG A 47 11.405 -10.648 3.033 1.00 71.35 H new ATOM 0 HD2 ARG A 47 10.477 -12.607 4.126 1.00 60.11 H new ATOM 0 HD3 ARG A 47 9.539 -11.196 4.574 1.00 60.11 H new ATOM 0 HE ARG A 47 8.340 -12.388 2.262 1.00 65.21 H new ATOM 0 HH11 ARG A 47 8.793 -13.067 5.710 1.00 72.41 H new ATOM 0 HH12 ARG A 47 7.318 -14.033 5.821 1.00 72.41 H new ATOM 0 HH21 ARG A 47 6.455 -13.613 2.433 1.00 20.32 H new ATOM 0 HH22 ARG A 47 6.004 -14.340 3.979 1.00 20.32 H new ATOM 778 N GLN A 48 8.270 -8.866 -0.422 1.00 63.31 N ATOM 779 CA GLN A 48 7.210 -8.185 -1.042 1.00 50.13 C ATOM 780 C GLN A 48 5.992 -8.402 -0.169 1.00 11.14 C ATOM 781 O GLN A 48 5.573 -9.545 0.068 1.00 40.32 O ATOM 782 CB GLN A 48 6.992 -8.778 -2.431 1.00 71.30 C ATOM 783 CG GLN A 48 6.068 -7.984 -3.304 1.00 51.21 C ATOM 784 CD GLN A 48 5.705 -8.717 -4.584 1.00 5.42 C ATOM 785 OE1 GLN A 48 5.669 -9.946 -4.625 1.00 3.21 O ATOM 786 NE2 GLN A 48 5.432 -7.991 -5.622 1.00 15.12 N ATOM 0 H GLN A 48 8.369 -9.837 -0.719 1.00 63.31 H new ATOM 0 HA GLN A 48 7.412 -7.120 -1.155 1.00 50.13 H new ATOM 0 HB2 GLN A 48 7.957 -8.867 -2.930 1.00 71.30 H new ATOM 0 HB3 GLN A 48 6.594 -9.787 -2.324 1.00 71.30 H new ATOM 0 HG2 GLN A 48 5.158 -7.754 -2.750 1.00 51.21 H new ATOM 0 HG3 GLN A 48 6.538 -7.033 -3.554 1.00 51.21 H new ATOM 0 HE21 GLN A 48 5.470 -6.974 -5.557 1.00 15.12 H new ATOM 0 HE22 GLN A 48 5.179 -8.437 -6.504 1.00 15.12 H new ATOM 795 N VAL A 49 5.454 -7.346 0.322 1.00 63.45 N ATOM 796 CA VAL A 49 4.347 -7.418 1.219 1.00 22.32 C ATOM 797 C VAL A 49 3.182 -6.645 0.668 1.00 45.45 C ATOM 798 O VAL A 49 3.354 -5.757 -0.182 1.00 42.53 O ATOM 799 CB VAL A 49 4.710 -6.883 2.649 1.00 20.40 C ATOM 800 CG1 VAL A 49 5.872 -7.658 3.260 1.00 70.41 C ATOM 801 CG2 VAL A 49 5.010 -5.388 2.647 1.00 41.12 C ATOM 0 H VAL A 49 5.768 -6.398 0.115 1.00 63.45 H new ATOM 0 HA VAL A 49 4.078 -8.470 1.317 1.00 22.32 H new ATOM 0 HB VAL A 49 3.828 -7.042 3.269 1.00 20.40 H new ATOM 0 HG11 VAL A 49 6.095 -7.259 4.250 1.00 70.41 H new ATOM 0 HG12 VAL A 49 5.603 -8.711 3.345 1.00 70.41 H new ATOM 0 HG13 VAL A 49 6.751 -7.559 2.623 1.00 70.41 H new ATOM 0 HG21 VAL A 49 5.256 -5.065 3.659 1.00 41.12 H new ATOM 0 HG22 VAL A 49 5.854 -5.187 1.987 1.00 41.12 H new ATOM 0 HG23 VAL A 49 4.135 -4.842 2.294 1.00 41.12 H new ATOM 811 N CYS A 50 2.016 -6.978 1.118 1.00 51.34 N ATOM 812 CA CYS A 50 0.850 -6.250 0.741 1.00 62.41 C ATOM 813 C CYS A 50 0.492 -5.390 1.881 1.00 32.22 C ATOM 814 O CYS A 50 0.362 -5.863 2.966 1.00 61.31 O ATOM 815 CB CYS A 50 -0.315 -7.160 0.403 1.00 10.33 C ATOM 816 SG CYS A 50 0.026 -8.317 -0.972 1.00 54.53 S ATOM 0 H CYS A 50 1.846 -7.758 1.753 1.00 51.34 H new ATOM 0 HA CYS A 50 1.063 -5.670 -0.157 1.00 62.41 H new ATOM 0 HB2 CYS A 50 -0.585 -7.734 1.290 1.00 10.33 H new ATOM 0 HB3 CYS A 50 -1.179 -6.548 0.144 1.00 10.33 H new ATOM 821 N ILE A 51 0.356 -4.151 1.665 1.00 33.24 N ATOM 822 CA ILE A 51 0.085 -3.289 2.745 1.00 43.30 C ATOM 823 C ILE A 51 -1.358 -2.911 2.778 1.00 10.32 C ATOM 824 O ILE A 51 -2.007 -2.738 1.737 1.00 14.04 O ATOM 825 CB ILE A 51 1.018 -2.064 2.779 1.00 62.20 C ATOM 826 CG1 ILE A 51 2.449 -2.564 2.802 1.00 3.22 C ATOM 827 CG2 ILE A 51 0.740 -1.198 3.996 1.00 42.03 C ATOM 828 CD1 ILE A 51 3.484 -1.498 3.123 1.00 55.04 C ATOM 0 H ILE A 51 0.427 -3.703 0.752 1.00 33.24 H new ATOM 0 HA ILE A 51 0.299 -3.842 3.660 1.00 43.30 H new ATOM 0 HB ILE A 51 0.846 -1.447 1.897 1.00 62.20 H new ATOM 0 HG12 ILE A 51 2.529 -3.364 3.538 1.00 3.22 H new ATOM 0 HG13 ILE A 51 2.684 -3.000 1.831 1.00 3.22 H new ATOM 0 HG21 ILE A 51 1.413 -0.341 3.994 1.00 42.03 H new ATOM 0 HG22 ILE A 51 -0.292 -0.849 3.966 1.00 42.03 H new ATOM 0 HG23 ILE A 51 0.899 -1.782 4.902 1.00 42.03 H new ATOM 0 HD11 ILE A 51 4.479 -1.944 3.118 1.00 55.04 H new ATOM 0 HD12 ILE A 51 3.437 -0.708 2.374 1.00 55.04 H new ATOM 0 HD13 ILE A 51 3.280 -1.077 4.108 1.00 55.04 H new ATOM 840 N ASP A 52 -1.870 -2.849 3.964 1.00 14.43 N ATOM 841 CA ASP A 52 -3.224 -2.519 4.188 1.00 33.55 C ATOM 842 C ASP A 52 -3.386 -1.013 4.151 1.00 71.21 C ATOM 843 O ASP A 52 -2.694 -0.285 4.872 1.00 71.24 O ATOM 844 CB ASP A 52 -3.636 -3.053 5.521 1.00 0.41 C ATOM 845 CG ASP A 52 -5.113 -2.943 5.754 1.00 63.13 C ATOM 846 OD1 ASP A 52 -5.575 -1.919 6.284 1.00 53.24 O ATOM 847 OD2 ASP A 52 -5.843 -3.887 5.420 1.00 11.02 O ATOM 0 H ASP A 52 -1.341 -3.032 4.816 1.00 14.43 H new ATOM 0 HA ASP A 52 -3.853 -2.959 3.414 1.00 33.55 H new ATOM 0 HB2 ASP A 52 -3.336 -4.098 5.598 1.00 0.41 H new ATOM 0 HB3 ASP A 52 -3.107 -2.511 6.305 1.00 0.41 H new ATOM 852 N PRO A 53 -4.303 -0.523 3.326 1.00 62.43 N ATOM 853 CA PRO A 53 -4.521 0.916 3.128 1.00 65.43 C ATOM 854 C PRO A 53 -5.170 1.636 4.323 1.00 30.53 C ATOM 855 O PRO A 53 -5.593 2.789 4.197 1.00 13.12 O ATOM 856 CB PRO A 53 -5.446 0.956 1.912 1.00 41.14 C ATOM 857 CG PRO A 53 -6.180 -0.335 1.968 1.00 45.21 C ATOM 858 CD PRO A 53 -5.204 -1.334 2.485 1.00 2.31 C ATOM 0 HA PRO A 53 -3.573 1.440 3.003 1.00 65.43 H new ATOM 0 HB2 PRO A 53 -6.129 1.804 1.959 1.00 41.14 H new ATOM 0 HB3 PRO A 53 -4.881 1.053 0.985 1.00 41.14 H new ATOM 0 HG2 PRO A 53 -7.049 -0.263 2.622 1.00 45.21 H new ATOM 0 HG3 PRO A 53 -6.546 -0.620 0.982 1.00 45.21 H new ATOM 0 HD2 PRO A 53 -5.697 -2.117 3.062 1.00 2.31 H new ATOM 0 HD3 PRO A 53 -4.665 -1.826 1.676 1.00 2.31 H new ATOM 866 N LYS A 54 -5.259 0.978 5.470 1.00 4.33 N ATOM 867 CA LYS A 54 -5.858 1.601 6.654 1.00 71.43 C ATOM 868 C LYS A 54 -4.830 1.838 7.726 1.00 11.14 C ATOM 869 O LYS A 54 -5.143 2.333 8.809 1.00 22.43 O ATOM 870 CB LYS A 54 -7.007 0.771 7.165 1.00 33.14 C ATOM 871 CG LYS A 54 -7.982 0.519 6.066 1.00 52.52 C ATOM 872 CD LYS A 54 -9.221 -0.252 6.501 1.00 24.43 C ATOM 873 CE LYS A 54 -8.901 -1.653 7.004 1.00 72.12 C ATOM 874 NZ LYS A 54 -8.214 -2.471 5.986 1.00 2.11 N ATOM 0 H LYS A 54 -4.930 0.023 5.611 1.00 4.33 H new ATOM 0 HA LYS A 54 -6.250 2.575 6.363 1.00 71.43 H new ATOM 0 HB2 LYS A 54 -6.636 -0.176 7.558 1.00 33.14 H new ATOM 0 HB3 LYS A 54 -7.500 1.286 7.989 1.00 33.14 H new ATOM 0 HG2 LYS A 54 -8.291 1.475 5.643 1.00 52.52 H new ATOM 0 HG3 LYS A 54 -7.483 -0.035 5.271 1.00 52.52 H new ATOM 0 HD2 LYS A 54 -9.731 0.304 7.288 1.00 24.43 H new ATOM 0 HD3 LYS A 54 -9.913 -0.322 5.661 1.00 24.43 H new ATOM 0 HE2 LYS A 54 -8.275 -1.583 7.893 1.00 72.12 H new ATOM 0 HE3 LYS A 54 -9.825 -2.149 7.303 1.00 72.12 H new ATOM 0 HZ1 LYS A 54 -8.078 -3.436 6.350 1.00 2.11 H new ATOM 0 HZ2 LYS A 54 -8.791 -2.505 5.121 1.00 2.11 H new ATOM 0 HZ3 LYS A 54 -7.289 -2.049 5.768 1.00 2.11 H new ATOM 888 N LEU A 55 -3.608 1.480 7.423 1.00 53.21 N ATOM 889 CA LEU A 55 -2.489 1.750 8.319 1.00 54.10 C ATOM 890 C LEU A 55 -2.281 3.252 8.469 1.00 54.32 C ATOM 891 O LEU A 55 -2.381 3.990 7.488 1.00 21.14 O ATOM 892 CB LEU A 55 -1.210 1.108 7.813 1.00 22.14 C ATOM 893 CG LEU A 55 -1.089 -0.412 7.902 1.00 21.32 C ATOM 894 CD1 LEU A 55 0.264 -0.839 7.391 1.00 52.12 C ATOM 895 CD2 LEU A 55 -1.261 -0.890 9.330 1.00 72.21 C ATOM 0 H LEU A 55 -3.352 0.998 6.561 1.00 53.21 H new ATOM 0 HA LEU A 55 -2.731 1.318 9.290 1.00 54.10 H new ATOM 0 HB2 LEU A 55 -1.084 1.393 6.769 1.00 22.14 H new ATOM 0 HB3 LEU A 55 -0.377 1.543 8.365 1.00 22.14 H new ATOM 0 HG LEU A 55 -1.877 -0.855 7.293 1.00 21.32 H new ATOM 0 HD11 LEU A 55 0.351 -1.924 7.454 1.00 52.12 H new ATOM 0 HD12 LEU A 55 0.376 -0.526 6.353 1.00 52.12 H new ATOM 0 HD13 LEU A 55 1.044 -0.377 7.996 1.00 52.12 H new ATOM 0 HD21 LEU A 55 -1.170 -1.976 9.364 1.00 72.21 H new ATOM 0 HD22 LEU A 55 -0.492 -0.442 9.959 1.00 72.21 H new ATOM 0 HD23 LEU A 55 -2.245 -0.597 9.696 1.00 72.21 H new ATOM 907 N LYS A 56 -1.966 3.690 9.678 1.00 22.23 N ATOM 908 CA LYS A 56 -1.831 5.114 9.998 1.00 25.52 C ATOM 909 C LYS A 56 -0.755 5.807 9.170 1.00 50.21 C ATOM 910 O LYS A 56 -1.008 6.861 8.584 1.00 23.52 O ATOM 911 CB LYS A 56 -1.552 5.330 11.481 1.00 71.33 C ATOM 912 CG LYS A 56 -1.408 6.799 11.863 1.00 31.22 C ATOM 913 CD LYS A 56 -1.038 6.958 13.312 1.00 22.55 C ATOM 914 CE LYS A 56 -0.882 8.414 13.688 1.00 64.11 C ATOM 915 NZ LYS A 56 -0.496 8.569 15.102 1.00 4.35 N ATOM 0 H LYS A 56 -1.795 3.072 10.471 1.00 22.23 H new ATOM 0 HA LYS A 56 -2.790 5.566 9.744 1.00 25.52 H new ATOM 0 HB2 LYS A 56 -2.361 4.889 12.063 1.00 71.33 H new ATOM 0 HB3 LYS A 56 -0.639 4.801 11.752 1.00 71.33 H new ATOM 0 HG2 LYS A 56 -0.646 7.265 11.239 1.00 31.22 H new ATOM 0 HG3 LYS A 56 -2.345 7.321 11.666 1.00 31.22 H new ATOM 0 HD2 LYS A 56 -1.805 6.500 13.937 1.00 22.55 H new ATOM 0 HD3 LYS A 56 -0.107 6.428 13.511 1.00 22.55 H new ATOM 0 HE2 LYS A 56 -0.128 8.876 13.051 1.00 64.11 H new ATOM 0 HE3 LYS A 56 -1.819 8.940 13.506 1.00 64.11 H new ATOM 0 HZ1 LYS A 56 -0.398 9.580 15.326 1.00 4.35 H new ATOM 0 HZ2 LYS A 56 -1.228 8.149 15.710 1.00 4.35 H new ATOM 0 HZ3 LYS A 56 0.411 8.088 15.269 1.00 4.35 H new ATOM 929 N TRP A 57 0.436 5.223 9.095 1.00 2.03 N ATOM 930 CA TRP A 57 1.508 5.855 8.328 1.00 74.11 C ATOM 931 C TRP A 57 1.173 5.831 6.838 1.00 3.35 C ATOM 932 O TRP A 57 1.620 6.681 6.062 1.00 41.50 O ATOM 933 CB TRP A 57 2.894 5.238 8.616 1.00 10.41 C ATOM 934 CG TRP A 57 3.063 3.822 8.190 1.00 21.40 C ATOM 935 CD1 TRP A 57 2.777 2.713 8.906 1.00 11.02 C ATOM 936 CD2 TRP A 57 3.578 3.367 6.938 1.00 25.02 C ATOM 937 NE1 TRP A 57 3.071 1.604 8.183 1.00 50.25 N ATOM 938 CE2 TRP A 57 3.567 1.972 6.972 1.00 44.14 C ATOM 939 CE3 TRP A 57 4.044 4.009 5.794 1.00 0.05 C ATOM 940 CZ2 TRP A 57 4.002 1.200 5.908 1.00 22.02 C ATOM 941 CZ3 TRP A 57 4.478 3.248 4.737 1.00 43.12 C ATOM 942 CH2 TRP A 57 4.455 1.854 4.799 1.00 4.14 C ATOM 0 H TRP A 57 0.682 4.339 9.541 1.00 2.03 H new ATOM 0 HA TRP A 57 1.576 6.894 8.652 1.00 74.11 H new ATOM 0 HB2 TRP A 57 3.652 5.842 8.119 1.00 10.41 H new ATOM 0 HB3 TRP A 57 3.087 5.303 9.687 1.00 10.41 H new ATOM 0 HD1 TRP A 57 2.373 2.710 9.908 1.00 11.02 H new ATOM 0 HE1 TRP A 57 2.940 0.643 8.499 1.00 50.25 H new ATOM 0 HE3 TRP A 57 4.064 5.087 5.739 1.00 0.05 H new ATOM 0 HZ2 TRP A 57 3.984 0.121 5.954 1.00 22.02 H new ATOM 0 HZ3 TRP A 57 4.842 3.735 3.845 1.00 43.12 H new ATOM 0 HH2 TRP A 57 4.803 1.281 3.952 1.00 4.14 H new ATOM 953 N ILE A 58 0.375 4.855 6.454 1.00 14.22 N ATOM 954 CA ILE A 58 -0.131 4.756 5.106 1.00 61.34 C ATOM 955 C ILE A 58 -1.125 5.875 4.857 1.00 31.33 C ATOM 956 O ILE A 58 -1.154 6.445 3.780 1.00 71.24 O ATOM 957 CB ILE A 58 -0.769 3.357 4.831 1.00 52.22 C ATOM 958 CG1 ILE A 58 0.294 2.265 4.814 1.00 11.34 C ATOM 959 CG2 ILE A 58 -1.526 3.340 3.542 1.00 2.24 C ATOM 960 CD1 ILE A 58 1.322 2.449 3.710 1.00 24.14 C ATOM 0 H ILE A 58 0.060 4.107 7.072 1.00 14.22 H new ATOM 0 HA ILE A 58 0.703 4.861 4.412 1.00 61.34 H new ATOM 0 HB ILE A 58 -1.468 3.161 5.644 1.00 52.22 H new ATOM 0 HG12 ILE A 58 0.804 2.248 5.777 1.00 11.34 H new ATOM 0 HG13 ILE A 58 -0.191 1.296 4.693 1.00 11.34 H new ATOM 0 HG21 ILE A 58 -1.955 2.350 3.385 1.00 2.24 H new ATOM 0 HG22 ILE A 58 -2.325 4.080 3.580 1.00 2.24 H new ATOM 0 HG23 ILE A 58 -0.850 3.577 2.720 1.00 2.24 H new ATOM 0 HD11 ILE A 58 2.050 1.639 3.752 1.00 24.14 H new ATOM 0 HD12 ILE A 58 0.822 2.437 2.742 1.00 24.14 H new ATOM 0 HD13 ILE A 58 1.832 3.403 3.843 1.00 24.14 H new ATOM 972 N GLN A 59 -1.907 6.223 5.880 1.00 70.43 N ATOM 973 CA GLN A 59 -2.860 7.317 5.756 1.00 73.13 C ATOM 974 C GLN A 59 -2.102 8.563 5.398 1.00 12.33 C ATOM 975 O GLN A 59 -2.437 9.230 4.434 1.00 32.53 O ATOM 976 CB GLN A 59 -3.660 7.555 7.051 1.00 13.21 C ATOM 977 CG GLN A 59 -4.392 6.337 7.583 1.00 51.21 C ATOM 978 CD GLN A 59 -5.243 5.661 6.546 1.00 4.31 C ATOM 979 OE1 GLN A 59 -6.404 5.983 6.367 1.00 51.54 O ATOM 980 NE2 GLN A 59 -4.677 4.703 5.879 1.00 71.52 N ATOM 0 H GLN A 59 -1.897 5.767 6.792 1.00 70.43 H new ATOM 0 HA GLN A 59 -3.581 7.055 4.982 1.00 73.13 H new ATOM 0 HB2 GLN A 59 -2.978 7.916 7.821 1.00 13.21 H new ATOM 0 HB3 GLN A 59 -4.386 8.348 6.872 1.00 13.21 H new ATOM 0 HG2 GLN A 59 -3.664 5.623 7.969 1.00 51.21 H new ATOM 0 HG3 GLN A 59 -5.021 6.636 8.422 1.00 51.21 H new ATOM 0 HE21 GLN A 59 -3.702 4.464 6.058 1.00 71.52 H new ATOM 0 HE22 GLN A 59 -5.207 4.189 5.175 1.00 71.52 H new ATOM 989 N GLU A 60 -1.028 8.812 6.151 1.00 65.31 N ATOM 990 CA GLU A 60 -0.142 9.949 5.935 1.00 53.25 C ATOM 991 C GLU A 60 0.392 9.941 4.500 1.00 23.41 C ATOM 992 O GLU A 60 0.439 10.983 3.829 1.00 64.03 O ATOM 993 CB GLU A 60 1.032 9.889 6.912 1.00 54.14 C ATOM 994 CG GLU A 60 0.629 9.884 8.375 1.00 10.13 C ATOM 995 CD GLU A 60 1.818 9.800 9.297 1.00 0.35 C ATOM 996 OE1 GLU A 60 2.410 10.855 9.615 1.00 74.21 O ATOM 997 OE2 GLU A 60 2.186 8.688 9.718 1.00 12.43 O ATOM 0 H GLU A 60 -0.750 8.222 6.935 1.00 65.31 H new ATOM 0 HA GLU A 60 -0.708 10.866 6.102 1.00 53.25 H new ATOM 0 HB2 GLU A 60 1.616 8.992 6.705 1.00 54.14 H new ATOM 0 HB3 GLU A 60 1.685 10.743 6.730 1.00 54.14 H new ATOM 0 HG2 GLU A 60 0.064 10.789 8.597 1.00 10.13 H new ATOM 0 HG3 GLU A 60 -0.034 9.040 8.564 1.00 10.13 H new ATOM 1004 N TYR A 61 0.770 8.754 4.040 1.00 43.24 N ATOM 1005 CA TYR A 61 1.270 8.548 2.691 1.00 53.53 C ATOM 1006 C TYR A 61 0.263 9.011 1.630 1.00 63.40 C ATOM 1007 O TYR A 61 0.595 9.847 0.762 1.00 74.43 O ATOM 1008 CB TYR A 61 1.650 7.065 2.481 1.00 60.15 C ATOM 1009 CG TYR A 61 1.987 6.701 1.060 1.00 45.35 C ATOM 1010 CD1 TYR A 61 3.169 7.119 0.468 1.00 64.43 C ATOM 1011 CD2 TYR A 61 1.108 5.943 0.304 1.00 73.22 C ATOM 1012 CE1 TYR A 61 3.461 6.792 -0.837 1.00 41.34 C ATOM 1013 CE2 TYR A 61 1.390 5.613 -0.993 1.00 43.51 C ATOM 1014 CZ TYR A 61 2.567 6.036 -1.561 1.00 61.35 C ATOM 1015 OH TYR A 61 2.852 5.701 -2.864 1.00 11.14 O ATOM 0 H TYR A 61 0.737 7.902 4.600 1.00 43.24 H new ATOM 0 HA TYR A 61 2.164 9.160 2.572 1.00 53.53 H new ATOM 0 HB2 TYR A 61 2.504 6.829 3.115 1.00 60.15 H new ATOM 0 HB3 TYR A 61 0.822 6.440 2.816 1.00 60.15 H new ATOM 0 HD1 TYR A 61 3.871 7.709 1.039 1.00 64.43 H new ATOM 0 HD2 TYR A 61 0.182 5.606 0.747 1.00 73.22 H new ATOM 0 HE1 TYR A 61 4.383 7.126 -1.289 1.00 41.34 H new ATOM 0 HE2 TYR A 61 0.691 5.023 -1.567 1.00 43.51 H new ATOM 0 HH TYR A 61 2.119 5.165 -3.232 1.00 11.14 H new ATOM 1025 N LEU A 62 -0.965 8.498 1.699 1.00 2.23 N ATOM 1026 CA LEU A 62 -1.945 8.874 0.706 1.00 74.42 C ATOM 1027 C LEU A 62 -2.418 10.294 0.890 1.00 13.35 C ATOM 1028 O LEU A 62 -2.737 10.953 -0.081 1.00 64.11 O ATOM 1029 CB LEU A 62 -3.134 7.909 0.552 1.00 51.22 C ATOM 1030 CG LEU A 62 -2.808 6.460 0.137 1.00 3.43 C ATOM 1031 CD1 LEU A 62 -2.576 5.587 1.322 1.00 41.43 C ATOM 1032 CD2 LEU A 62 -3.860 5.886 -0.790 1.00 61.23 C ATOM 0 H LEU A 62 -1.289 7.843 2.411 1.00 2.23 H new ATOM 0 HA LEU A 62 -1.403 8.802 -0.237 1.00 74.42 H new ATOM 0 HB2 LEU A 62 -3.670 7.878 1.500 1.00 51.22 H new ATOM 0 HB3 LEU A 62 -3.817 8.328 -0.187 1.00 51.22 H new ATOM 0 HG LEU A 62 -1.875 6.491 -0.426 1.00 3.43 H new ATOM 0 HD11 LEU A 62 -2.349 4.574 0.989 1.00 41.43 H new ATOM 0 HD12 LEU A 62 -1.738 5.975 1.901 1.00 41.43 H new ATOM 0 HD13 LEU A 62 -3.471 5.573 1.944 1.00 41.43 H new ATOM 0 HD21 LEU A 62 -3.591 4.864 -1.057 1.00 61.23 H new ATOM 0 HD22 LEU A 62 -4.827 5.887 -0.288 1.00 61.23 H new ATOM 0 HD23 LEU A 62 -3.920 6.494 -1.693 1.00 61.23 H new ATOM 1044 N GLU A 63 -2.445 10.780 2.138 1.00 51.43 N ATOM 1045 CA GLU A 63 -2.804 12.186 2.381 1.00 51.45 C ATOM 1046 C GLU A 63 -1.880 13.074 1.586 1.00 43.44 C ATOM 1047 O GLU A 63 -2.326 13.937 0.836 1.00 5.32 O ATOM 1048 CB GLU A 63 -2.695 12.564 3.865 1.00 64.13 C ATOM 1049 CG GLU A 63 -3.687 11.882 4.782 1.00 62.35 C ATOM 1050 CD GLU A 63 -5.101 12.188 4.419 1.00 44.05 C ATOM 1051 OE1 GLU A 63 -5.585 13.299 4.739 1.00 3.31 O ATOM 1052 OE2 GLU A 63 -5.768 11.325 3.825 1.00 33.13 O ATOM 0 H GLU A 63 -2.229 10.239 2.975 1.00 51.43 H new ATOM 0 HA GLU A 63 -3.841 12.321 2.074 1.00 51.45 H new ATOM 0 HB2 GLU A 63 -1.687 12.330 4.209 1.00 64.13 H new ATOM 0 HB3 GLU A 63 -2.822 13.643 3.958 1.00 64.13 H new ATOM 0 HG2 GLU A 63 -3.530 10.804 4.745 1.00 62.35 H new ATOM 0 HG3 GLU A 63 -3.503 12.195 5.810 1.00 62.35 H new ATOM 1059 N LYS A 64 -0.598 12.801 1.715 1.00 72.24 N ATOM 1060 CA LYS A 64 0.437 13.519 1.023 1.00 12.04 C ATOM 1061 C LYS A 64 0.259 13.447 -0.489 1.00 13.13 C ATOM 1062 O LYS A 64 -0.086 14.445 -1.129 1.00 74.42 O ATOM 1063 CB LYS A 64 1.792 12.936 1.396 1.00 63.12 C ATOM 1064 CG LYS A 64 2.948 13.491 0.589 1.00 71.04 C ATOM 1065 CD LYS A 64 3.204 14.986 0.850 1.00 4.24 C ATOM 1066 CE LYS A 64 3.555 15.281 2.305 1.00 1.14 C ATOM 1067 NZ LYS A 64 3.776 16.725 2.538 1.00 10.01 N ATOM 0 H LYS A 64 -0.246 12.057 2.318 1.00 72.24 H new ATOM 0 HA LYS A 64 0.377 14.566 1.322 1.00 12.04 H new ATOM 0 HB2 LYS A 64 1.978 13.124 2.453 1.00 63.12 H new ATOM 0 HB3 LYS A 64 1.758 11.854 1.266 1.00 63.12 H new ATOM 0 HG2 LYS A 64 3.851 12.927 0.824 1.00 71.04 H new ATOM 0 HG3 LYS A 64 2.747 13.343 -0.472 1.00 71.04 H new ATOM 0 HD2 LYS A 64 4.016 15.328 0.209 1.00 4.24 H new ATOM 0 HD3 LYS A 64 2.317 15.556 0.572 1.00 4.24 H new ATOM 0 HE2 LYS A 64 2.751 14.928 2.951 1.00 1.14 H new ATOM 0 HE3 LYS A 64 4.452 14.727 2.581 1.00 1.14 H new ATOM 0 HZ1 LYS A 64 4.012 16.883 3.538 1.00 10.01 H new ATOM 0 HZ2 LYS A 64 4.560 17.057 1.941 1.00 10.01 H new ATOM 0 HZ3 LYS A 64 2.912 17.252 2.299 1.00 10.01 H new ATOM 1081 N ALA A 65 0.488 12.261 -1.027 1.00 22.54 N ATOM 1082 CA ALA A 65 0.447 12.015 -2.475 1.00 2.32 C ATOM 1083 C ALA A 65 -0.872 12.418 -3.154 1.00 45.22 C ATOM 1084 O ALA A 65 -0.860 12.852 -4.304 1.00 73.13 O ATOM 1085 CB ALA A 65 0.757 10.565 -2.769 1.00 44.22 C ATOM 0 H ALA A 65 0.710 11.432 -0.476 1.00 22.54 H new ATOM 0 HA ALA A 65 1.212 12.663 -2.903 1.00 2.32 H new ATOM 0 HB1 ALA A 65 0.723 10.397 -3.845 1.00 44.22 H new ATOM 0 HB2 ALA A 65 1.752 10.322 -2.395 1.00 44.22 H new ATOM 0 HB3 ALA A 65 0.020 9.929 -2.279 1.00 44.22 H new ATOM 1091 N LEU A 66 -1.991 12.286 -2.472 1.00 63.30 N ATOM 1092 CA LEU A 66 -3.236 12.605 -3.057 1.00 72.00 C ATOM 1093 C LEU A 66 -3.563 14.109 -2.912 1.00 42.41 C ATOM 1094 O LEU A 66 -4.247 14.684 -3.759 1.00 71.11 O ATOM 1095 CB LEU A 66 -4.321 11.715 -2.457 1.00 10.41 C ATOM 1096 CG LEU A 66 -5.723 11.979 -2.909 1.00 53.23 C ATOM 1097 CD1 LEU A 66 -5.877 11.756 -4.414 1.00 21.41 C ATOM 1098 CD2 LEU A 66 -6.723 11.155 -2.121 1.00 61.02 C ATOM 0 H LEU A 66 -2.043 11.957 -1.508 1.00 63.30 H new ATOM 0 HA LEU A 66 -3.188 12.410 -4.128 1.00 72.00 H new ATOM 0 HB2 LEU A 66 -4.078 10.678 -2.687 1.00 10.41 H new ATOM 0 HB3 LEU A 66 -4.286 11.818 -1.372 1.00 10.41 H new ATOM 0 HG LEU A 66 -5.937 13.029 -2.712 1.00 53.23 H new ATOM 0 HD11 LEU A 66 -6.907 11.957 -4.708 1.00 21.41 H new ATOM 0 HD12 LEU A 66 -5.209 12.429 -4.952 1.00 21.41 H new ATOM 0 HD13 LEU A 66 -5.625 10.724 -4.657 1.00 21.41 H new ATOM 0 HD21 LEU A 66 -7.731 11.371 -2.475 1.00 61.02 H new ATOM 0 HD22 LEU A 66 -6.509 10.095 -2.258 1.00 61.02 H new ATOM 0 HD23 LEU A 66 -6.648 11.406 -1.063 1.00 61.02 H new ATOM 1110 N ASN A 67 -3.066 14.748 -1.852 1.00 71.42 N ATOM 1111 CA ASN A 67 -3.293 16.199 -1.676 1.00 25.00 C ATOM 1112 C ASN A 67 -2.302 16.996 -2.525 1.00 32.24 C ATOM 1113 O ASN A 67 -2.522 18.172 -2.824 1.00 74.23 O ATOM 1114 CB ASN A 67 -3.202 16.604 -0.183 1.00 71.13 C ATOM 1115 CG ASN A 67 -3.465 18.080 0.075 1.00 33.11 C ATOM 1116 OD1 ASN A 67 -4.613 18.494 0.250 1.00 41.11 O ATOM 1117 ND2 ASN A 67 -2.418 18.870 0.143 1.00 55.04 N ATOM 0 H ASN A 67 -2.517 14.306 -1.115 1.00 71.42 H new ATOM 0 HA ASN A 67 -4.302 16.432 -2.015 1.00 25.00 H new ATOM 0 HB2 ASN A 67 -3.918 16.013 0.388 1.00 71.13 H new ATOM 0 HB3 ASN A 67 -2.210 16.351 0.192 1.00 71.13 H new ATOM 0 HD21 ASN A 67 -2.540 19.862 0.346 1.00 55.04 H new ATOM 0 HD22 ASN A 67 -1.483 18.491 -0.008 1.00 55.04 H new ATOM 1124 N LYS A 68 -1.221 16.325 -2.899 1.00 35.12 N ATOM 1125 CA LYS A 68 -0.158 16.862 -3.737 1.00 1.44 C ATOM 1126 C LYS A 68 -0.714 17.454 -5.036 1.00 41.44 C ATOM 1127 O LYS A 68 -1.067 16.683 -5.947 1.00 39.23 O ATOM 1128 CB LYS A 68 0.829 15.739 -4.055 1.00 35.02 C ATOM 1129 CG LYS A 68 2.014 16.155 -4.898 1.00 25.43 C ATOM 1130 CD LYS A 68 2.888 14.965 -5.163 1.00 53.32 C ATOM 1131 CE LYS A 68 4.078 15.306 -6.037 1.00 64.42 C ATOM 1132 NZ LYS A 68 4.911 14.112 -6.318 1.00 42.04 N ATOM 1133 OXT LYS A 68 -0.780 18.697 -5.162 1.00 39.23 O ATOM 0 H LYS A 68 -1.055 15.359 -2.618 1.00 35.12 H new ATOM 0 HA LYS A 68 0.343 17.666 -3.198 1.00 1.44 H new ATOM 0 HB2 LYS A 68 1.197 15.321 -3.118 1.00 35.02 H new ATOM 0 HB3 LYS A 68 0.296 14.941 -4.572 1.00 35.02 H new ATOM 0 HG2 LYS A 68 1.670 16.583 -5.840 1.00 25.43 H new ATOM 0 HG3 LYS A 68 2.584 16.930 -4.385 1.00 25.43 H new ATOM 0 HD2 LYS A 68 3.241 14.559 -4.215 1.00 53.32 H new ATOM 0 HD3 LYS A 68 2.299 14.185 -5.644 1.00 53.32 H new ATOM 0 HE2 LYS A 68 3.729 15.736 -6.976 1.00 64.42 H new ATOM 0 HE3 LYS A 68 4.685 16.066 -5.545 1.00 64.42 H new ATOM 0 HZ1 LYS A 68 5.716 14.384 -6.918 1.00 42.04 H new ATOM 0 HZ2 LYS A 68 5.264 13.717 -5.423 1.00 42.04 H new ATOM 0 HZ3 LYS A 68 4.338 13.397 -6.810 1.00 42.04 H new TER 1147 LYS A 68