USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.273 K(o=1.6,f=-10!) USER MOD Set 1.2: A 86 THR OG1 : rot -67:sc= 1.31 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.476 X(o=0.64,f=0.26) USER MOD Set 2.2: A 78 TYR OH : rot -83:sc= 0.169 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 10 TYR OH : rot 30:sc= 0.343 USER MOD Set 4.2: A 24 ASN : amide:sc= 0.62 K(o=0.96,f=-1.2!) USER MOD Set 5.1: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -86:sc= 1.06 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.47) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 21 ASN : amide:sc= 0.479 K(o=0.48,f=-1.9) USER MOD Single : A 26 TYR OH : rot -44:sc= 0.17 USER MOD Single : A 31 HIS : no HD1:sc= 0.248 K(o=0.25,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0326 (180deg=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 160:sc= 0.696 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -26:sc= 0.162 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 165:sc=-0.00966 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.308 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0132 (180deg=-0.183) USER MOD Single : A 83 ASN : amide:sc= 0.732 K(o=0.73,f=-4.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00579) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.0169 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 3.393 -5.592 -2.950 1.00 42.11 N ATOM 40 CA GLN A 2 2.967 -6.634 -3.872 1.00 42.32 C ATOM 41 C GLN A 2 3.720 -7.936 -3.580 1.00 33.21 C ATOM 42 O GLN A 2 4.944 -7.985 -3.690 1.00 52.24 O ATOM 43 CB GLN A 2 3.146 -6.135 -5.315 1.00 31.12 C ATOM 44 CG GLN A 2 4.610 -5.911 -5.737 1.00 75.45 C ATOM 45 CD GLN A 2 4.746 -4.940 -6.911 1.00 34.30 C ATOM 46 OE1 GLN A 2 5.588 -4.046 -6.874 1.00 72.13 O ATOM 47 NE2 GLN A 2 3.926 -5.100 -7.952 1.00 45.14 N ATOM 0 HA GLN A 2 1.909 -6.858 -3.738 1.00 42.32 H new ATOM 0 HB2 GLN A 2 2.692 -6.856 -5.994 1.00 31.12 H new ATOM 0 HB3 GLN A 2 2.600 -5.199 -5.433 1.00 31.12 H new ATOM 0 HG2 GLN A 2 5.174 -5.527 -4.887 1.00 75.45 H new ATOM 0 HG3 GLN A 2 5.055 -6.868 -6.009 1.00 75.45 H new ATOM 0 HE21 GLN A 2 3.239 -5.854 -7.949 1.00 45.14 H new ATOM 0 HE22 GLN A 2 3.987 -4.469 -8.751 1.00 45.14 H new ATOM 56 N ARG A 3 2.990 -8.987 -3.183 1.00 63.41 N ATOM 57 CA ARG A 3 3.566 -10.287 -2.865 1.00 61.55 C ATOM 58 C ARG A 3 3.750 -11.085 -4.154 1.00 31.34 C ATOM 59 O ARG A 3 2.812 -11.230 -4.938 1.00 61.25 O ATOM 60 CB ARG A 3 2.680 -11.071 -1.890 1.00 53.33 C ATOM 61 CG ARG A 3 2.697 -10.542 -0.453 1.00 11.54 C ATOM 62 CD ARG A 3 2.041 -9.166 -0.294 1.00 15.03 C ATOM 63 NE ARG A 3 1.792 -8.861 1.119 1.00 42.32 N ATOM 64 CZ ARG A 3 2.739 -8.551 2.021 1.00 24.33 C ATOM 65 NH1 ARG A 3 4.031 -8.464 1.669 1.00 14.03 N ATOM 66 NH2 ARG A 3 2.386 -8.323 3.293 1.00 11.41 N ATOM 0 H ARG A 3 1.976 -8.952 -3.075 1.00 63.41 H new ATOM 0 HA ARG A 3 4.530 -10.127 -2.383 1.00 61.55 H new ATOM 0 HB2 ARG A 3 1.654 -11.055 -2.258 1.00 53.33 H new ATOM 0 HB3 ARG A 3 3.001 -12.113 -1.884 1.00 53.33 H new ATOM 0 HG2 ARG A 3 2.185 -11.255 0.193 1.00 11.54 H new ATOM 0 HG3 ARG A 3 3.730 -10.484 -0.109 1.00 11.54 H new ATOM 0 HD2 ARG A 3 2.685 -8.400 -0.727 1.00 15.03 H new ATOM 0 HD3 ARG A 3 1.101 -9.141 -0.846 1.00 15.03 H new ATOM 0 HE ARG A 3 0.825 -8.886 1.442 1.00 42.32 H new ATOM 0 HH11 ARG A 3 4.309 -8.634 0.702 1.00 14.03 H new ATOM 0 HH12 ARG A 3 4.735 -8.227 2.368 1.00 14.03 H new ATOM 0 HH21 ARG A 3 1.406 -8.385 3.569 1.00 11.41 H new ATOM 0 HH22 ARG A 3 3.097 -8.087 3.985 1.00 11.41 H new ATOM 80 N THR A 4 4.967 -11.602 -4.353 1.00 53.25 N ATOM 81 CA THR A 4 5.351 -12.383 -5.516 1.00 3.02 C ATOM 82 C THR A 4 4.992 -13.860 -5.297 1.00 11.01 C ATOM 83 O THR A 4 4.976 -14.320 -4.155 1.00 52.24 O ATOM 84 CB THR A 4 6.862 -12.221 -5.756 1.00 24.40 C ATOM 85 OG1 THR A 4 7.593 -12.646 -4.623 1.00 0.44 O ATOM 86 CG2 THR A 4 7.228 -10.765 -6.068 1.00 63.12 C ATOM 0 H THR A 4 5.729 -11.481 -3.685 1.00 53.25 H new ATOM 0 HA THR A 4 4.811 -12.028 -6.394 1.00 3.02 H new ATOM 0 HB THR A 4 7.120 -12.840 -6.615 1.00 24.40 H new ATOM 0 HG1 THR A 4 8.552 -12.538 -4.793 1.00 0.44 H new ATOM 0 HG21 THR A 4 8.303 -10.687 -6.232 1.00 63.12 H new ATOM 0 HG22 THR A 4 6.700 -10.441 -6.965 1.00 63.12 H new ATOM 0 HG23 THR A 4 6.942 -10.130 -5.229 1.00 63.12 H new ATOM 94 N PRO A 5 4.724 -14.618 -6.373 1.00 64.24 N ATOM 95 CA PRO A 5 4.472 -16.050 -6.310 1.00 53.34 C ATOM 96 C PRO A 5 5.741 -16.791 -5.880 1.00 72.35 C ATOM 97 O PRO A 5 6.741 -16.762 -6.598 1.00 71.44 O ATOM 98 CB PRO A 5 4.054 -16.455 -7.729 1.00 22.34 C ATOM 99 CG PRO A 5 4.658 -15.379 -8.623 1.00 41.03 C ATOM 100 CD PRO A 5 4.623 -14.138 -7.740 1.00 4.55 C ATOM 0 HA PRO A 5 3.700 -16.300 -5.582 1.00 53.34 H new ATOM 0 HB2 PRO A 5 4.431 -17.444 -7.987 1.00 22.34 H new ATOM 0 HB3 PRO A 5 2.969 -16.492 -7.829 1.00 22.34 H new ATOM 0 HG2 PRO A 5 5.675 -15.630 -8.926 1.00 41.03 H new ATOM 0 HG3 PRO A 5 4.079 -15.241 -9.536 1.00 41.03 H new ATOM 0 HD2 PRO A 5 5.446 -13.465 -7.979 1.00 4.55 H new ATOM 0 HD3 PRO A 5 3.700 -13.578 -7.890 1.00 4.55 H new ATOM 108 N LYS A 6 5.694 -17.471 -4.726 1.00 63.55 N ATOM 109 CA LYS A 6 6.771 -18.346 -4.289 1.00 11.31 C ATOM 110 C LYS A 6 6.630 -19.682 -5.012 1.00 31.42 C ATOM 111 O LYS A 6 5.616 -20.367 -4.873 1.00 64.11 O ATOM 112 CB LYS A 6 6.758 -18.525 -2.765 1.00 20.24 C ATOM 113 CG LYS A 6 7.818 -19.550 -2.334 1.00 12.20 C ATOM 114 CD LYS A 6 7.912 -19.668 -0.811 1.00 42.15 C ATOM 115 CE LYS A 6 8.866 -20.808 -0.438 1.00 40.04 C ATOM 116 NZ LYS A 6 8.947 -20.995 1.020 1.00 4.40 N ATOM 0 H LYS A 6 4.908 -17.425 -4.077 1.00 63.55 H new ATOM 0 HA LYS A 6 7.733 -17.899 -4.539 1.00 11.31 H new ATOM 0 HB2 LYS A 6 6.950 -17.568 -2.279 1.00 20.24 H new ATOM 0 HB3 LYS A 6 5.771 -18.855 -2.440 1.00 20.24 H new ATOM 0 HG2 LYS A 6 7.575 -20.524 -2.759 1.00 12.20 H new ATOM 0 HG3 LYS A 6 8.789 -19.259 -2.736 1.00 12.20 H new ATOM 0 HD2 LYS A 6 8.268 -18.730 -0.385 1.00 42.15 H new ATOM 0 HD3 LYS A 6 6.924 -19.855 -0.390 1.00 42.15 H new ATOM 0 HE2 LYS A 6 8.528 -21.733 -0.905 1.00 40.04 H new ATOM 0 HE3 LYS A 6 9.859 -20.595 -0.833 1.00 40.04 H new ATOM 0 HZ1 LYS A 6 9.601 -21.774 1.234 1.00 4.40 H new ATOM 0 HZ2 LYS A 6 9.293 -20.120 1.463 1.00 4.40 H new ATOM 0 HZ3 LYS A 6 8.004 -21.223 1.394 1.00 4.40 H new ATOM 130 N ILE A 7 7.669 -20.042 -5.770 1.00 71.35 N ATOM 131 CA ILE A 7 7.749 -21.279 -6.527 1.00 52.32 C ATOM 132 C ILE A 7 8.072 -22.450 -5.595 1.00 43.11 C ATOM 133 O ILE A 7 8.970 -22.354 -4.759 1.00 33.34 O ATOM 134 CB ILE A 7 8.773 -21.127 -7.672 1.00 71.45 C ATOM 135 CG1 ILE A 7 10.202 -20.836 -7.165 1.00 12.20 C ATOM 136 CG2 ILE A 7 8.276 -20.038 -8.635 1.00 45.22 C ATOM 137 CD1 ILE A 7 11.225 -20.671 -8.290 1.00 71.41 C ATOM 0 H ILE A 7 8.499 -19.458 -5.872 1.00 71.35 H new ATOM 0 HA ILE A 7 6.784 -21.497 -6.984 1.00 52.32 H new ATOM 0 HB ILE A 7 8.846 -22.078 -8.200 1.00 71.45 H new ATOM 0 HG12 ILE A 7 10.187 -19.928 -6.562 1.00 12.20 H new ATOM 0 HG13 ILE A 7 10.520 -21.648 -6.511 1.00 12.20 H new ATOM 0 HG21 ILE A 7 8.990 -19.919 -9.450 1.00 45.22 H new ATOM 0 HG22 ILE A 7 7.306 -20.326 -9.041 1.00 45.22 H new ATOM 0 HG23 ILE A 7 8.178 -19.094 -8.098 1.00 45.22 H new ATOM 0 HD11 ILE A 7 12.207 -20.469 -7.862 1.00 71.41 H new ATOM 0 HD12 ILE A 7 11.268 -21.587 -8.880 1.00 71.41 H new ATOM 0 HD13 ILE A 7 10.930 -19.840 -8.931 1.00 71.41 H new ATOM 149 N GLN A 8 7.318 -23.547 -5.738 1.00 2.32 N ATOM 150 CA GLN A 8 7.524 -24.810 -5.042 1.00 51.31 C ATOM 151 C GLN A 8 7.111 -25.917 -6.015 1.00 24.10 C ATOM 152 O GLN A 8 6.032 -26.492 -5.879 1.00 35.12 O ATOM 153 CB GLN A 8 6.705 -24.861 -3.738 1.00 61.44 C ATOM 154 CG GLN A 8 7.172 -23.843 -2.689 1.00 23.24 C ATOM 155 CD GLN A 8 6.358 -23.922 -1.397 1.00 11.14 C ATOM 156 OE1 GLN A 8 5.685 -22.962 -1.027 1.00 40.21 O ATOM 157 NE2 GLN A 8 6.427 -25.058 -0.698 1.00 13.33 N ATOM 0 H GLN A 8 6.517 -23.573 -6.369 1.00 2.32 H new ATOM 0 HA GLN A 8 8.566 -24.932 -4.747 1.00 51.31 H new ATOM 0 HB2 GLN A 8 5.655 -24.679 -3.969 1.00 61.44 H new ATOM 0 HB3 GLN A 8 6.769 -25.864 -3.315 1.00 61.44 H new ATOM 0 HG2 GLN A 8 8.224 -24.015 -2.463 1.00 23.24 H new ATOM 0 HG3 GLN A 8 7.095 -22.838 -3.103 1.00 23.24 H new ATOM 0 HE21 GLN A 8 6.997 -25.832 -1.038 1.00 13.33 H new ATOM 0 HE22 GLN A 8 5.910 -25.151 0.176 1.00 13.33 H new ATOM 166 N VAL A 9 7.952 -26.166 -7.029 1.00 0.32 N ATOM 167 CA VAL A 9 7.643 -27.033 -8.161 1.00 5.44 C ATOM 168 C VAL A 9 8.317 -28.390 -7.972 1.00 44.32 C ATOM 169 O VAL A 9 9.439 -28.608 -8.429 1.00 64.43 O ATOM 170 CB VAL A 9 8.080 -26.364 -9.469 1.00 33.24 C ATOM 171 CG1 VAL A 9 7.574 -27.144 -10.690 1.00 53.25 C ATOM 172 CG2 VAL A 9 7.546 -24.930 -9.555 1.00 20.21 C ATOM 0 H VAL A 9 8.885 -25.758 -7.080 1.00 0.32 H new ATOM 0 HA VAL A 9 6.567 -27.196 -8.214 1.00 5.44 H new ATOM 0 HB VAL A 9 9.170 -26.354 -9.471 1.00 33.24 H new ATOM 0 HG11 VAL A 9 7.900 -26.644 -11.602 1.00 53.25 H new ATOM 0 HG12 VAL A 9 7.977 -28.157 -10.667 1.00 53.25 H new ATOM 0 HG13 VAL A 9 6.485 -27.186 -10.669 1.00 53.25 H new ATOM 0 HG21 VAL A 9 7.870 -24.477 -10.492 1.00 20.21 H new ATOM 0 HG22 VAL A 9 6.457 -24.944 -9.516 1.00 20.21 H new ATOM 0 HG23 VAL A 9 7.931 -24.347 -8.718 1.00 20.21 H new ATOM 182 N TYR A 10 7.616 -29.286 -7.275 1.00 1.23 N ATOM 183 CA TYR A 10 8.147 -30.569 -6.828 1.00 12.35 C ATOM 184 C TYR A 10 7.437 -31.747 -7.502 1.00 12.11 C ATOM 185 O TYR A 10 6.411 -31.574 -8.161 1.00 0.21 O ATOM 186 CB TYR A 10 8.066 -30.640 -5.296 1.00 12.11 C ATOM 187 CG TYR A 10 6.674 -30.581 -4.697 1.00 73.12 C ATOM 188 CD1 TYR A 10 6.150 -29.355 -4.244 1.00 72.33 C ATOM 189 CD2 TYR A 10 5.959 -31.770 -4.463 1.00 71.34 C ATOM 190 CE1 TYR A 10 4.895 -29.310 -3.615 1.00 60.35 C ATOM 191 CE2 TYR A 10 4.716 -31.731 -3.809 1.00 1.14 C ATOM 192 CZ TYR A 10 4.178 -30.499 -3.398 1.00 74.34 C ATOM 193 OH TYR A 10 2.955 -30.464 -2.792 1.00 3.40 O ATOM 0 H TYR A 10 6.645 -29.135 -7.002 1.00 1.23 H new ATOM 0 HA TYR A 10 9.193 -30.645 -7.126 1.00 12.35 H new ATOM 0 HB2 TYR A 10 8.541 -31.566 -4.970 1.00 12.11 H new ATOM 0 HB3 TYR A 10 8.652 -29.819 -4.883 1.00 12.11 H new ATOM 0 HD1 TYR A 10 6.716 -28.445 -4.381 1.00 72.33 H new ATOM 0 HD2 TYR A 10 6.367 -32.716 -4.787 1.00 71.34 H new ATOM 0 HE1 TYR A 10 4.482 -28.364 -3.299 1.00 60.35 H new ATOM 0 HE2 TYR A 10 4.174 -32.647 -3.622 1.00 1.14 H new ATOM 0 HH TYR A 10 2.514 -29.612 -2.994 1.00 3.40 H new ATOM 203 N SER A 11 8.000 -32.947 -7.316 1.00 3.01 N ATOM 204 CA SER A 11 7.484 -34.206 -7.837 1.00 22.25 C ATOM 205 C SER A 11 6.544 -34.829 -6.805 1.00 2.12 C ATOM 206 O SER A 11 6.973 -35.127 -5.691 1.00 61.45 O ATOM 207 CB SER A 11 8.649 -35.167 -8.124 1.00 63.11 C ATOM 208 OG SER A 11 9.754 -34.478 -8.659 1.00 22.41 O ATOM 0 H SER A 11 8.858 -33.066 -6.778 1.00 3.01 H new ATOM 0 HA SER A 11 6.940 -34.021 -8.763 1.00 22.25 H new ATOM 0 HB2 SER A 11 8.942 -35.673 -7.204 1.00 63.11 H new ATOM 0 HB3 SER A 11 8.325 -35.938 -8.822 1.00 63.11 H new ATOM 0 HG SER A 11 9.650 -34.397 -9.630 1.00 22.41 H new ATOM 214 N ARG A 12 5.274 -35.044 -7.167 1.00 12.54 N ATOM 215 CA ARG A 12 4.322 -35.729 -6.301 1.00 52.12 C ATOM 216 C ARG A 12 4.731 -37.198 -6.171 1.00 73.51 C ATOM 217 O ARG A 12 5.027 -37.667 -5.073 1.00 40.14 O ATOM 218 CB ARG A 12 2.908 -35.570 -6.873 1.00 44.32 C ATOM 219 CG ARG A 12 1.822 -36.343 -6.112 1.00 21.23 C ATOM 220 CD ARG A 12 1.708 -35.917 -4.647 1.00 31.43 C ATOM 221 NE ARG A 12 0.552 -36.560 -4.012 1.00 52.34 N ATOM 222 CZ ARG A 12 0.228 -36.438 -2.714 1.00 33.44 C ATOM 223 NH1 ARG A 12 0.962 -35.673 -1.892 1.00 2.40 N ATOM 224 NH2 ARG A 12 -0.842 -37.089 -2.239 1.00 34.43 N ATOM 0 H ARG A 12 4.885 -34.749 -8.062 1.00 12.54 H new ATOM 0 HA ARG A 12 4.324 -35.292 -5.303 1.00 52.12 H new ATOM 0 HB2 ARG A 12 2.648 -34.511 -6.876 1.00 44.32 H new ATOM 0 HB3 ARG A 12 2.911 -35.900 -7.912 1.00 44.32 H new ATOM 0 HG2 ARG A 12 0.862 -36.192 -6.605 1.00 21.23 H new ATOM 0 HG3 ARG A 12 2.041 -37.410 -6.160 1.00 21.23 H new ATOM 0 HD2 ARG A 12 2.619 -36.185 -4.113 1.00 31.43 H new ATOM 0 HD3 ARG A 12 1.609 -34.833 -4.584 1.00 31.43 H new ATOM 0 HE ARG A 12 -0.048 -37.141 -4.598 1.00 52.34 H new ATOM 0 HH11 ARG A 12 1.777 -35.175 -2.251 1.00 2.40 H new ATOM 0 HH12 ARG A 12 0.705 -35.589 -0.908 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -1.403 -37.671 -2.861 1.00 34.43 H new ATOM 0 HH22 ARG A 12 -1.096 -37.003 -1.255 1.00 34.43 H new ATOM 238 N HIS A 13 4.766 -37.904 -7.306 1.00 51.01 N ATOM 239 CA HIS A 13 5.263 -39.268 -7.425 1.00 73.24 C ATOM 240 C HIS A 13 6.794 -39.238 -7.539 1.00 25.20 C ATOM 241 O HIS A 13 7.359 -38.183 -7.827 1.00 44.52 O ATOM 242 CB HIS A 13 4.622 -39.898 -8.672 1.00 34.42 C ATOM 243 CG HIS A 13 3.157 -40.202 -8.498 1.00 20.30 C ATOM 244 ND1 HIS A 13 2.670 -41.495 -8.379 1.00 13.34 N ATOM 245 CD2 HIS A 13 2.051 -39.392 -8.406 1.00 60.12 C ATOM 246 CE1 HIS A 13 1.338 -41.408 -8.223 1.00 15.21 C ATOM 247 NE2 HIS A 13 0.897 -40.149 -8.228 1.00 53.02 N ATOM 0 H HIS A 13 4.437 -37.524 -8.193 1.00 51.01 H new ATOM 0 HA HIS A 13 5.003 -39.863 -6.549 1.00 73.24 H new ATOM 0 HB2 HIS A 13 4.748 -39.222 -9.518 1.00 34.42 H new ATOM 0 HB3 HIS A 13 5.151 -40.819 -8.918 1.00 34.42 H new ATOM 0 HD2 HIS A 13 2.074 -38.314 -8.464 1.00 60.12 H new ATOM 0 HE1 HIS A 13 0.693 -42.266 -8.106 1.00 15.21 H new ATOM 0 HE2 HIS A 13 -0.062 -39.818 -8.125 1.00 53.02 H new ATOM 255 N PRO A 14 7.489 -40.372 -7.337 1.00 0.10 N ATOM 256 CA PRO A 14 8.907 -40.485 -7.645 1.00 32.51 C ATOM 257 C PRO A 14 9.106 -40.396 -9.161 1.00 2.33 C ATOM 258 O PRO A 14 8.280 -40.903 -9.921 1.00 54.01 O ATOM 259 CB PRO A 14 9.341 -41.846 -7.095 1.00 51.43 C ATOM 260 CG PRO A 14 8.056 -42.672 -7.151 1.00 11.24 C ATOM 261 CD PRO A 14 6.974 -41.638 -6.836 1.00 21.42 C ATOM 0 HA PRO A 14 9.501 -39.686 -7.201 1.00 32.51 H new ATOM 0 HB2 PRO A 14 10.132 -42.291 -7.699 1.00 51.43 H new ATOM 0 HB3 PRO A 14 9.724 -41.766 -6.078 1.00 51.43 H new ATOM 0 HG2 PRO A 14 7.909 -43.125 -8.131 1.00 11.24 H new ATOM 0 HG3 PRO A 14 8.065 -43.483 -6.423 1.00 11.24 H new ATOM 0 HD2 PRO A 14 6.031 -41.897 -7.318 1.00 21.42 H new ATOM 0 HD3 PRO A 14 6.780 -41.587 -5.765 1.00 21.42 H new ATOM 269 N ALA A 15 10.185 -39.728 -9.590 1.00 54.05 N ATOM 270 CA ALA A 15 10.492 -39.465 -10.993 1.00 44.02 C ATOM 271 C ALA A 15 11.039 -40.723 -11.676 1.00 33.10 C ATOM 272 O ALA A 15 12.214 -40.777 -12.037 1.00 61.21 O ATOM 273 CB ALA A 15 11.472 -38.289 -11.076 1.00 24.45 C ATOM 0 H ALA A 15 10.883 -39.348 -8.951 1.00 54.05 H new ATOM 0 HA ALA A 15 9.581 -39.194 -11.527 1.00 44.02 H new ATOM 0 HB1 ALA A 15 11.708 -38.085 -12.120 1.00 24.45 H new ATOM 0 HB2 ALA A 15 11.019 -37.405 -10.627 1.00 24.45 H new ATOM 0 HB3 ALA A 15 12.387 -38.540 -10.540 1.00 24.45 H new ATOM 279 N GLU A 16 10.176 -41.732 -11.853 1.00 72.52 N ATOM 280 CA GLU A 16 10.525 -43.014 -12.444 1.00 24.31 C ATOM 281 C GLU A 16 10.441 -42.918 -13.967 1.00 20.34 C ATOM 282 O GLU A 16 9.431 -42.476 -14.512 1.00 35.20 O ATOM 283 CB GLU A 16 9.597 -44.102 -11.889 1.00 53.51 C ATOM 284 CG GLU A 16 10.007 -45.492 -12.400 1.00 1.20 C ATOM 285 CD GLU A 16 9.110 -46.604 -11.863 1.00 23.40 C ATOM 286 OE1 GLU A 16 8.748 -47.483 -12.675 1.00 23.32 O ATOM 287 OE2 GLU A 16 8.797 -46.563 -10.653 1.00 43.43 O ATOM 0 H GLU A 16 9.195 -41.670 -11.580 1.00 72.52 H new ATOM 0 HA GLU A 16 11.549 -43.282 -12.184 1.00 24.31 H new ATOM 0 HB2 GLU A 16 9.626 -44.088 -10.799 1.00 53.51 H new ATOM 0 HB3 GLU A 16 8.569 -43.892 -12.183 1.00 53.51 H new ATOM 0 HG2 GLU A 16 9.974 -45.498 -13.489 1.00 1.20 H new ATOM 0 HG3 GLU A 16 11.039 -45.691 -12.111 1.00 1.20 H new ATOM 294 N ASN A 17 11.515 -43.347 -14.638 1.00 72.42 N ATOM 295 CA ASN A 17 11.658 -43.336 -16.086 1.00 0.01 C ATOM 296 C ASN A 17 10.578 -44.193 -16.746 1.00 5.41 C ATOM 297 O ASN A 17 10.381 -45.346 -16.363 1.00 60.32 O ATOM 298 CB ASN A 17 13.045 -43.874 -16.453 1.00 14.42 C ATOM 299 CG ASN A 17 14.156 -43.010 -15.863 1.00 43.44 C ATOM 300 OD1 ASN A 17 14.561 -43.206 -14.719 1.00 52.53 O ATOM 301 ND2 ASN A 17 14.649 -42.052 -16.646 1.00 25.21 N ATOM 0 H ASN A 17 12.336 -43.724 -14.164 1.00 72.42 H new ATOM 0 HA ASN A 17 11.546 -42.313 -16.446 1.00 0.01 H new ATOM 0 HB2 ASN A 17 13.147 -44.897 -16.090 1.00 14.42 H new ATOM 0 HB3 ASN A 17 13.147 -43.909 -17.538 1.00 14.42 H new ATOM 0 HD21 ASN A 17 15.393 -41.445 -16.302 1.00 25.21 H new ATOM 0 HD22 ASN A 17 14.282 -41.925 -17.589 1.00 25.21 H new ATOM 308 N GLY A 18 9.889 -43.625 -17.741 1.00 12.41 N ATOM 309 CA GLY A 18 8.843 -44.298 -18.496 1.00 22.42 C ATOM 310 C GLY A 18 7.686 -44.740 -17.599 1.00 14.04 C ATOM 311 O GLY A 18 7.227 -45.876 -17.708 1.00 4.04 O ATOM 0 H GLY A 18 10.051 -42.665 -18.045 1.00 12.41 H new ATOM 0 HA2 GLY A 18 8.467 -43.629 -19.270 1.00 22.42 H new ATOM 0 HA3 GLY A 18 9.263 -45.168 -19.002 1.00 22.42 H new ATOM 315 N LYS A 19 7.216 -43.839 -16.727 1.00 32.44 N ATOM 316 CA LYS A 19 6.074 -44.070 -15.854 1.00 13.30 C ATOM 317 C LYS A 19 5.546 -42.720 -15.371 1.00 3.35 C ATOM 318 O LYS A 19 6.317 -41.898 -14.877 1.00 63.25 O ATOM 319 CB LYS A 19 6.475 -44.958 -14.670 1.00 34.51 C ATOM 320 CG LYS A 19 5.272 -45.258 -13.767 1.00 14.32 C ATOM 321 CD LYS A 19 5.688 -46.193 -12.627 1.00 74.41 C ATOM 322 CE LYS A 19 4.526 -46.475 -11.670 1.00 2.40 C ATOM 323 NZ LYS A 19 4.118 -45.264 -10.937 1.00 21.51 N ATOM 0 H LYS A 19 7.631 -42.914 -16.612 1.00 32.44 H new ATOM 0 HA LYS A 19 5.288 -44.590 -16.402 1.00 13.30 H new ATOM 0 HB2 LYS A 19 6.897 -45.892 -15.040 1.00 34.51 H new ATOM 0 HB3 LYS A 19 7.254 -44.464 -14.089 1.00 34.51 H new ATOM 0 HG2 LYS A 19 4.874 -44.329 -13.359 1.00 14.32 H new ATOM 0 HG3 LYS A 19 4.475 -45.717 -14.351 1.00 14.32 H new ATOM 0 HD2 LYS A 19 6.053 -47.132 -13.042 1.00 74.41 H new ATOM 0 HD3 LYS A 19 6.514 -45.747 -12.074 1.00 74.41 H new ATOM 0 HE2 LYS A 19 3.677 -46.863 -12.233 1.00 2.40 H new ATOM 0 HE3 LYS A 19 4.819 -47.249 -10.960 1.00 2.40 H new ATOM 0 HZ1 LYS A 19 3.451 -45.523 -10.182 1.00 21.51 H new ATOM 0 HZ2 LYS A 19 4.956 -44.813 -10.518 1.00 21.51 H new ATOM 0 HZ3 LYS A 19 3.658 -44.600 -11.592 1.00 21.51 H new ATOM 337 N SER A 20 4.231 -42.512 -15.516 1.00 32.53 N ATOM 338 CA SER A 20 3.543 -41.250 -15.269 1.00 4.11 C ATOM 339 C SER A 20 3.793 -40.689 -13.867 1.00 14.24 C ATOM 340 O SER A 20 3.991 -41.438 -12.911 1.00 71.14 O ATOM 341 CB SER A 20 2.045 -41.421 -15.532 1.00 52.04 C ATOM 342 OG SER A 20 1.836 -41.795 -16.877 1.00 74.12 O ATOM 0 H SER A 20 3.597 -43.251 -15.821 1.00 32.53 H new ATOM 0 HA SER A 20 3.956 -40.516 -15.960 1.00 4.11 H new ATOM 0 HB2 SER A 20 1.634 -42.179 -14.866 1.00 52.04 H new ATOM 0 HB3 SER A 20 1.520 -40.490 -15.318 1.00 52.04 H new ATOM 0 HG SER A 20 0.876 -41.905 -17.041 1.00 74.12 H new ATOM 348 N ASN A 21 3.794 -39.353 -13.774 1.00 33.21 N ATOM 349 CA ASN A 21 4.147 -38.597 -12.584 1.00 0.53 C ATOM 350 C ASN A 21 3.377 -37.275 -12.597 1.00 12.43 C ATOM 351 O ASN A 21 3.341 -36.597 -13.621 1.00 44.21 O ATOM 352 CB ASN A 21 5.665 -38.362 -12.599 1.00 21.10 C ATOM 353 CG ASN A 21 6.190 -37.677 -11.337 1.00 0.03 C ATOM 354 OD1 ASN A 21 5.761 -36.583 -10.978 1.00 0.43 O ATOM 355 ND2 ASN A 21 7.139 -38.318 -10.656 1.00 11.24 N ATOM 0 H ASN A 21 3.538 -38.755 -14.559 1.00 33.21 H new ATOM 0 HA ASN A 21 3.884 -39.137 -11.674 1.00 0.53 H new ATOM 0 HB2 ASN A 21 6.171 -39.320 -12.720 1.00 21.10 H new ATOM 0 HB3 ASN A 21 5.922 -37.754 -13.466 1.00 21.10 H new ATOM 0 HD21 ASN A 21 7.530 -37.901 -9.811 1.00 11.24 H new ATOM 0 HD22 ASN A 21 7.474 -39.225 -10.980 1.00 11.24 H new ATOM 362 N PHE A 22 2.774 -36.907 -11.458 1.00 64.32 N ATOM 363 CA PHE A 22 2.053 -35.650 -11.306 1.00 12.01 C ATOM 364 C PHE A 22 3.007 -34.539 -10.864 1.00 2.31 C ATOM 365 O PHE A 22 3.780 -34.717 -9.924 1.00 32.15 O ATOM 366 CB PHE A 22 0.900 -35.798 -10.306 1.00 41.31 C ATOM 367 CG PHE A 22 -0.300 -36.578 -10.811 1.00 25.22 C ATOM 368 CD1 PHE A 22 -1.502 -35.905 -11.103 1.00 61.32 C ATOM 369 CD2 PHE A 22 -0.252 -37.982 -10.898 1.00 4.33 C ATOM 370 CE1 PHE A 22 -2.644 -36.628 -11.486 1.00 20.23 C ATOM 371 CE2 PHE A 22 -1.400 -38.706 -11.263 1.00 3.10 C ATOM 372 CZ PHE A 22 -2.595 -38.030 -11.563 1.00 4.32 C ATOM 0 H PHE A 22 2.777 -37.481 -10.615 1.00 64.32 H new ATOM 0 HA PHE A 22 1.629 -35.381 -12.273 1.00 12.01 H new ATOM 0 HB2 PHE A 22 1.279 -36.287 -9.409 1.00 41.31 H new ATOM 0 HB3 PHE A 22 0.568 -34.803 -10.010 1.00 41.31 H new ATOM 0 HD1 PHE A 22 -1.546 -34.828 -11.032 1.00 61.32 H new ATOM 0 HD2 PHE A 22 0.669 -38.504 -10.684 1.00 4.33 H new ATOM 0 HE1 PHE A 22 -3.560 -36.106 -11.721 1.00 20.23 H new ATOM 0 HE2 PHE A 22 -1.364 -39.784 -11.313 1.00 3.10 H new ATOM 0 HZ PHE A 22 -3.474 -38.587 -11.852 1.00 4.32 H new ATOM 382 N LEU A 23 2.923 -33.381 -11.531 1.00 43.21 N ATOM 383 CA LEU A 23 3.647 -32.181 -11.136 1.00 64.42 C ATOM 384 C LEU A 23 2.858 -31.497 -10.025 1.00 40.24 C ATOM 385 O LEU A 23 1.631 -31.475 -10.086 1.00 54.13 O ATOM 386 CB LEU A 23 3.777 -31.231 -12.338 1.00 22.23 C ATOM 387 CG LEU A 23 4.809 -30.111 -12.122 1.00 23.21 C ATOM 388 CD1 LEU A 23 6.240 -30.653 -12.211 1.00 23.14 C ATOM 389 CD2 LEU A 23 4.618 -29.018 -13.179 1.00 14.40 C ATOM 0 H LEU A 23 2.346 -33.257 -12.363 1.00 43.21 H new ATOM 0 HA LEU A 23 4.646 -32.441 -10.788 1.00 64.42 H new ATOM 0 HB2 LEU A 23 4.057 -31.808 -13.219 1.00 22.23 H new ATOM 0 HB3 LEU A 23 2.805 -30.784 -12.545 1.00 22.23 H new ATOM 0 HG LEU A 23 4.654 -29.698 -11.125 1.00 23.21 H new ATOM 0 HD11 LEU A 23 6.948 -29.839 -12.054 1.00 23.14 H new ATOM 0 HD12 LEU A 23 6.389 -31.415 -11.446 1.00 23.14 H new ATOM 0 HD13 LEU A 23 6.403 -31.091 -13.196 1.00 23.14 H new ATOM 0 HD21 LEU A 23 5.351 -28.227 -13.021 1.00 14.40 H new ATOM 0 HD22 LEU A 23 4.753 -29.445 -14.173 1.00 14.40 H new ATOM 0 HD23 LEU A 23 3.614 -28.603 -13.096 1.00 14.40 H new ATOM 401 N ASN A 24 3.550 -30.917 -9.036 1.00 21.20 N ATOM 402 CA ASN A 24 2.929 -30.042 -8.055 1.00 61.11 C ATOM 403 C ASN A 24 3.610 -28.680 -8.118 1.00 0.43 C ATOM 404 O ASN A 24 4.493 -28.392 -7.313 1.00 43.34 O ATOM 405 CB ASN A 24 3.016 -30.658 -6.649 1.00 11.32 C ATOM 406 CG ASN A 24 1.950 -31.724 -6.390 1.00 51.13 C ATOM 407 OD1 ASN A 24 1.383 -32.297 -7.317 1.00 3.01 O ATOM 408 ND2 ASN A 24 1.653 -31.981 -5.114 1.00 51.23 N ATOM 0 H ASN A 24 4.553 -31.046 -8.901 1.00 21.20 H new ATOM 0 HA ASN A 24 1.870 -29.918 -8.281 1.00 61.11 H new ATOM 0 HB2 ASN A 24 4.003 -31.100 -6.514 1.00 11.32 H new ATOM 0 HB3 ASN A 24 2.917 -29.867 -5.906 1.00 11.32 H new ATOM 0 HD21 ASN A 24 0.937 -32.671 -4.886 1.00 51.23 H new ATOM 0 HD22 ASN A 24 2.142 -31.488 -4.367 1.00 51.23 H new ATOM 415 N CYS A 25 3.163 -27.835 -9.059 1.00 63.31 N ATOM 416 CA CYS A 25 3.523 -26.424 -9.104 1.00 34.23 C ATOM 417 C CYS A 25 2.637 -25.683 -8.103 1.00 34.11 C ATOM 418 O CYS A 25 1.562 -25.197 -8.451 1.00 12.14 O ATOM 419 CB CYS A 25 3.418 -25.874 -10.533 1.00 45.03 C ATOM 420 SG CYS A 25 3.993 -24.162 -10.702 1.00 62.23 S ATOM 0 H CYS A 25 2.537 -28.121 -9.812 1.00 63.31 H new ATOM 0 HA CYS A 25 4.565 -26.278 -8.819 1.00 34.23 H new ATOM 0 HB2 CYS A 25 3.999 -26.510 -11.201 1.00 45.03 H new ATOM 0 HB3 CYS A 25 2.380 -25.933 -10.860 1.00 45.03 H new ATOM 425 N TYR A 26 3.089 -25.650 -6.844 1.00 51.14 N ATOM 426 CA TYR A 26 2.366 -25.102 -5.708 1.00 42.52 C ATOM 427 C TYR A 26 2.740 -23.628 -5.556 1.00 45.31 C ATOM 428 O TYR A 26 3.769 -23.305 -4.965 1.00 41.14 O ATOM 429 CB TYR A 26 2.715 -25.940 -4.472 1.00 33.40 C ATOM 430 CG TYR A 26 2.038 -25.517 -3.183 1.00 72.53 C ATOM 431 CD1 TYR A 26 0.749 -25.989 -2.875 1.00 15.13 C ATOM 432 CD2 TYR A 26 2.752 -24.767 -2.229 1.00 42.14 C ATOM 433 CE1 TYR A 26 0.193 -25.741 -1.609 1.00 25.24 C ATOM 434 CE2 TYR A 26 2.185 -24.497 -0.972 1.00 43.11 C ATOM 435 CZ TYR A 26 0.901 -24.979 -0.663 1.00 32.31 C ATOM 436 OH TYR A 26 0.346 -24.707 0.553 1.00 43.24 O ATOM 0 H TYR A 26 4.004 -26.020 -6.587 1.00 51.14 H new ATOM 0 HA TYR A 26 1.286 -25.148 -5.846 1.00 42.52 H new ATOM 0 HB2 TYR A 26 2.455 -26.979 -4.674 1.00 33.40 H new ATOM 0 HB3 TYR A 26 3.794 -25.904 -4.324 1.00 33.40 H new ATOM 0 HD1 TYR A 26 0.187 -26.542 -3.612 1.00 15.13 H new ATOM 0 HD2 TYR A 26 3.739 -24.398 -2.464 1.00 42.14 H new ATOM 0 HE1 TYR A 26 -0.781 -26.137 -1.362 1.00 25.24 H new ATOM 0 HE2 TYR A 26 2.735 -23.920 -0.244 1.00 43.11 H new ATOM 0 HH TYR A 26 -0.592 -24.450 0.434 1.00 43.24 H new ATOM 446 N VAL A 27 1.921 -22.736 -6.127 1.00 33.30 N ATOM 447 CA VAL A 27 2.259 -21.329 -6.255 1.00 71.24 C ATOM 448 C VAL A 27 1.552 -20.562 -5.144 1.00 12.21 C ATOM 449 O VAL A 27 0.340 -20.383 -5.205 1.00 72.31 O ATOM 450 CB VAL A 27 1.870 -20.814 -7.652 1.00 34.43 C ATOM 451 CG1 VAL A 27 2.406 -19.392 -7.829 1.00 1.20 C ATOM 452 CG2 VAL A 27 2.490 -21.691 -8.748 1.00 2.42 C ATOM 0 H VAL A 27 1.007 -22.978 -6.511 1.00 33.30 H new ATOM 0 HA VAL A 27 3.334 -21.181 -6.152 1.00 71.24 H new ATOM 0 HB VAL A 27 0.784 -20.839 -7.736 1.00 34.43 H new ATOM 0 HG11 VAL A 27 2.134 -19.021 -8.817 1.00 1.20 H new ATOM 0 HG12 VAL A 27 1.975 -18.743 -7.066 1.00 1.20 H new ATOM 0 HG13 VAL A 27 3.491 -19.397 -7.730 1.00 1.20 H new ATOM 0 HG21 VAL A 27 2.202 -21.308 -9.727 1.00 2.42 H new ATOM 0 HG22 VAL A 27 3.576 -21.673 -8.657 1.00 2.42 H new ATOM 0 HG23 VAL A 27 2.133 -22.715 -8.640 1.00 2.42 H new ATOM 462 N SER A 28 2.305 -20.139 -4.122 1.00 63.53 N ATOM 463 CA SER A 28 1.746 -19.498 -2.942 1.00 40.23 C ATOM 464 C SER A 28 2.050 -17.999 -2.906 1.00 52.15 C ATOM 465 O SER A 28 3.197 -17.592 -3.088 1.00 61.21 O ATOM 466 CB SER A 28 2.263 -20.212 -1.688 1.00 0.02 C ATOM 467 OG SER A 28 3.672 -20.206 -1.659 1.00 12.31 O ATOM 0 H SER A 28 3.320 -20.235 -4.097 1.00 63.53 H new ATOM 0 HA SER A 28 0.660 -19.584 -2.978 1.00 40.23 H new ATOM 0 HB2 SER A 28 1.873 -19.720 -0.796 1.00 0.02 H new ATOM 0 HB3 SER A 28 1.898 -21.239 -1.671 1.00 0.02 H new ATOM 0 HG SER A 28 3.985 -20.664 -0.851 1.00 12.31 H new ATOM 473 N GLY A 29 1.022 -17.192 -2.610 1.00 41.24 N ATOM 474 CA GLY A 29 1.172 -15.803 -2.198 1.00 2.21 C ATOM 475 C GLY A 29 1.249 -14.823 -3.366 1.00 73.34 C ATOM 476 O GLY A 29 2.069 -13.907 -3.332 1.00 12.02 O ATOM 0 H GLY A 29 0.050 -17.498 -2.653 1.00 41.24 H new ATOM 0 HA2 GLY A 29 0.332 -15.529 -1.560 1.00 2.21 H new ATOM 0 HA3 GLY A 29 2.075 -15.707 -1.594 1.00 2.21 H new ATOM 480 N PHE A 30 0.396 -14.993 -4.382 1.00 44.55 N ATOM 481 CA PHE A 30 0.388 -14.141 -5.563 1.00 14.33 C ATOM 482 C PHE A 30 -0.663 -13.041 -5.440 1.00 2.14 C ATOM 483 O PHE A 30 -1.844 -13.277 -5.672 1.00 12.51 O ATOM 484 CB PHE A 30 0.216 -14.978 -6.833 1.00 2.50 C ATOM 485 CG PHE A 30 -0.918 -15.988 -6.851 1.00 41.14 C ATOM 486 CD1 PHE A 30 -2.148 -15.663 -7.454 1.00 14.03 C ATOM 487 CD2 PHE A 30 -0.714 -17.284 -6.341 1.00 14.54 C ATOM 488 CE1 PHE A 30 -3.189 -16.606 -7.485 1.00 54.45 C ATOM 489 CE2 PHE A 30 -1.746 -18.235 -6.406 1.00 61.41 C ATOM 490 CZ PHE A 30 -2.981 -17.895 -6.973 1.00 11.13 C ATOM 0 H PHE A 30 -0.309 -15.730 -4.403 1.00 44.55 H new ATOM 0 HA PHE A 30 1.354 -13.642 -5.638 1.00 14.33 H new ATOM 0 HB2 PHE A 30 0.073 -14.295 -7.671 1.00 2.50 H new ATOM 0 HB3 PHE A 30 1.148 -15.514 -7.013 1.00 2.50 H new ATOM 0 HD1 PHE A 30 -2.292 -14.687 -7.894 1.00 14.03 H new ATOM 0 HD2 PHE A 30 0.236 -17.547 -5.900 1.00 14.54 H new ATOM 0 HE1 PHE A 30 -4.148 -16.339 -7.903 1.00 54.45 H new ATOM 0 HE2 PHE A 30 -1.587 -19.230 -6.018 1.00 61.41 H new ATOM 0 HZ PHE A 30 -3.774 -18.627 -7.016 1.00 11.13 H new ATOM 500 N HIS A 31 -0.216 -11.835 -5.080 1.00 45.24 N ATOM 501 CA HIS A 31 -1.057 -10.643 -4.996 1.00 0.43 C ATOM 502 C HIS A 31 -0.764 -9.721 -6.179 1.00 2.53 C ATOM 503 O HIS A 31 0.369 -9.256 -6.297 1.00 52.01 O ATOM 504 CB HIS A 31 -0.797 -9.902 -3.683 1.00 40.22 C ATOM 505 CG HIS A 31 -1.460 -10.590 -2.525 1.00 33.44 C ATOM 506 ND1 HIS A 31 -2.651 -10.128 -1.990 1.00 73.33 N ATOM 507 CD2 HIS A 31 -1.193 -11.767 -1.871 1.00 42.03 C ATOM 508 CE1 HIS A 31 -3.038 -11.016 -1.063 1.00 40.14 C ATOM 509 NE2 HIS A 31 -2.193 -12.042 -0.947 1.00 42.31 N ATOM 0 H HIS A 31 0.758 -11.659 -4.835 1.00 45.24 H new ATOM 0 HA HIS A 31 -2.103 -10.947 -5.026 1.00 0.43 H new ATOM 0 HB2 HIS A 31 0.277 -9.840 -3.505 1.00 40.22 H new ATOM 0 HB3 HIS A 31 -1.167 -8.880 -3.761 1.00 40.22 H new ATOM 0 HD2 HIS A 31 -0.329 -12.390 -2.049 1.00 42.03 H new ATOM 0 HE1 HIS A 31 -3.937 -10.912 -0.474 1.00 40.14 H new ATOM 0 HE2 HIS A 31 -2.265 -12.845 -0.322 1.00 42.31 H new ATOM 517 N PRO A 32 -1.746 -9.418 -7.046 1.00 34.41 N ATOM 518 CA PRO A 32 -3.154 -9.794 -6.965 1.00 12.33 C ATOM 519 C PRO A 32 -3.381 -11.223 -7.467 1.00 44.15 C ATOM 520 O PRO A 32 -2.473 -11.855 -8.000 1.00 4.20 O ATOM 521 CB PRO A 32 -3.869 -8.788 -7.869 1.00 52.42 C ATOM 522 CG PRO A 32 -2.839 -8.545 -8.971 1.00 3.11 C ATOM 523 CD PRO A 32 -1.522 -8.562 -8.196 1.00 63.35 C ATOM 0 HA PRO A 32 -3.522 -9.775 -5.939 1.00 12.33 H new ATOM 0 HB2 PRO A 32 -4.801 -9.190 -8.266 1.00 52.42 H new ATOM 0 HB3 PRO A 32 -4.119 -7.870 -7.337 1.00 52.42 H new ATOM 0 HG2 PRO A 32 -2.871 -9.321 -9.736 1.00 3.11 H new ATOM 0 HG3 PRO A 32 -3.001 -7.593 -9.476 1.00 3.11 H new ATOM 0 HD2 PRO A 32 -0.710 -8.944 -8.815 1.00 63.35 H new ATOM 0 HD3 PRO A 32 -1.239 -7.556 -7.885 1.00 63.35 H new ATOM 531 N SER A 33 -4.613 -11.722 -7.317 1.00 20.32 N ATOM 532 CA SER A 33 -5.009 -13.068 -7.721 1.00 0.33 C ATOM 533 C SER A 33 -4.904 -13.320 -9.235 1.00 41.33 C ATOM 534 O SER A 33 -4.999 -14.473 -9.653 1.00 74.13 O ATOM 535 CB SER A 33 -6.427 -13.358 -7.216 1.00 21.20 C ATOM 536 OG SER A 33 -7.352 -12.440 -7.759 1.00 2.01 O ATOM 0 H SER A 33 -5.376 -11.187 -6.902 1.00 20.32 H new ATOM 0 HA SER A 33 -4.300 -13.757 -7.263 1.00 0.33 H new ATOM 0 HB2 SER A 33 -6.714 -14.374 -7.488 1.00 21.20 H new ATOM 0 HB3 SER A 33 -6.449 -13.302 -6.128 1.00 21.20 H new ATOM 0 HG SER A 33 -8.250 -12.644 -7.425 1.00 2.01 H new ATOM 542 N ASP A 34 -4.723 -12.272 -10.054 1.00 0.40 N ATOM 543 CA ASP A 34 -4.687 -12.358 -11.509 1.00 42.22 C ATOM 544 C ASP A 34 -3.339 -12.903 -12.000 1.00 40.11 C ATOM 545 O ASP A 34 -2.514 -12.156 -12.524 1.00 11.31 O ATOM 546 CB ASP A 34 -5.001 -10.970 -12.087 1.00 63.41 C ATOM 547 CG ASP A 34 -5.167 -11.005 -13.605 1.00 0.40 C ATOM 548 OD1 ASP A 34 -4.255 -10.498 -14.293 1.00 41.22 O ATOM 549 OD2 ASP A 34 -6.209 -11.535 -14.050 1.00 15.41 O ATOM 0 H ASP A 34 -4.595 -11.321 -9.707 1.00 0.40 H new ATOM 0 HA ASP A 34 -5.441 -13.063 -11.859 1.00 42.22 H new ATOM 0 HB2 ASP A 34 -5.914 -10.586 -11.632 1.00 63.41 H new ATOM 0 HB3 ASP A 34 -4.199 -10.279 -11.826 1.00 63.41 H new ATOM 554 N ILE A 35 -3.119 -14.212 -11.819 1.00 72.33 N ATOM 555 CA ILE A 35 -1.896 -14.907 -12.209 1.00 23.21 C ATOM 556 C ILE A 35 -2.107 -15.693 -13.509 1.00 11.32 C ATOM 557 O ILE A 35 -3.239 -16.039 -13.847 1.00 21.24 O ATOM 558 CB ILE A 35 -1.394 -15.794 -11.049 1.00 40.14 C ATOM 559 CG1 ILE A 35 0.059 -16.227 -11.305 1.00 34.24 C ATOM 560 CG2 ILE A 35 -2.319 -16.998 -10.821 1.00 2.01 C ATOM 561 CD1 ILE A 35 0.741 -16.853 -10.089 1.00 34.20 C ATOM 0 H ILE A 35 -3.807 -14.828 -11.386 1.00 72.33 H new ATOM 0 HA ILE A 35 -1.116 -14.174 -12.414 1.00 23.21 H new ATOM 0 HB ILE A 35 -1.415 -15.207 -10.131 1.00 40.14 H new ATOM 0 HG12 ILE A 35 0.075 -16.943 -12.127 1.00 34.24 H new ATOM 0 HG13 ILE A 35 0.635 -15.359 -11.626 1.00 34.24 H new ATOM 0 HG21 ILE A 35 -1.936 -17.601 -9.998 1.00 2.01 H new ATOM 0 HG22 ILE A 35 -3.321 -16.646 -10.577 1.00 2.01 H new ATOM 0 HG23 ILE A 35 -2.358 -17.604 -11.726 1.00 2.01 H new ATOM 0 HD11 ILE A 35 1.762 -17.132 -10.348 1.00 34.20 H new ATOM 0 HD12 ILE A 35 0.758 -16.133 -9.271 1.00 34.20 H new ATOM 0 HD13 ILE A 35 0.190 -17.741 -9.779 1.00 34.20 H new ATOM 573 N GLU A 36 -1.010 -15.981 -14.222 1.00 64.12 N ATOM 574 CA GLU A 36 -0.991 -16.757 -15.454 1.00 3.02 C ATOM 575 C GLU A 36 0.012 -17.904 -15.309 1.00 54.13 C ATOM 576 O GLU A 36 1.142 -17.818 -15.792 1.00 53.43 O ATOM 577 CB GLU A 36 -0.602 -15.841 -16.614 1.00 54.05 C ATOM 578 CG GLU A 36 -1.591 -14.696 -16.855 1.00 61.35 C ATOM 579 CD GLU A 36 -1.079 -13.773 -17.956 1.00 15.14 C ATOM 580 OE1 GLU A 36 -0.092 -13.056 -17.682 1.00 75.52 O ATOM 581 OE2 GLU A 36 -1.670 -13.809 -19.058 1.00 40.42 O ATOM 0 H GLU A 36 -0.082 -15.665 -13.941 1.00 64.12 H new ATOM 0 HA GLU A 36 -1.976 -17.178 -15.654 1.00 3.02 H new ATOM 0 HB2 GLU A 36 0.385 -15.421 -16.418 1.00 54.05 H new ATOM 0 HB3 GLU A 36 -0.521 -16.436 -17.524 1.00 54.05 H new ATOM 0 HG2 GLU A 36 -2.564 -15.100 -17.134 1.00 61.35 H new ATOM 0 HG3 GLU A 36 -1.733 -14.130 -15.934 1.00 61.35 H new ATOM 588 N VAL A 37 -0.414 -18.984 -14.644 1.00 51.04 N ATOM 589 CA VAL A 37 0.383 -20.195 -14.477 1.00 51.13 C ATOM 590 C VAL A 37 0.092 -21.152 -15.636 1.00 61.22 C ATOM 591 O VAL A 37 -0.792 -22.004 -15.552 1.00 31.35 O ATOM 592 CB VAL A 37 0.164 -20.843 -13.104 1.00 41.52 C ATOM 593 CG1 VAL A 37 1.155 -21.999 -12.904 1.00 24.13 C ATOM 594 CG2 VAL A 37 0.379 -19.816 -11.987 1.00 2.50 C ATOM 0 H VAL A 37 -1.332 -19.038 -14.204 1.00 51.04 H new ATOM 0 HA VAL A 37 1.441 -19.933 -14.505 1.00 51.13 H new ATOM 0 HB VAL A 37 -0.859 -21.217 -13.064 1.00 41.52 H new ATOM 0 HG11 VAL A 37 0.992 -22.453 -11.927 1.00 24.13 H new ATOM 0 HG12 VAL A 37 1.003 -22.747 -13.682 1.00 24.13 H new ATOM 0 HG13 VAL A 37 2.175 -21.618 -12.962 1.00 24.13 H new ATOM 0 HG21 VAL A 37 0.220 -20.292 -11.019 1.00 2.50 H new ATOM 0 HG22 VAL A 37 1.397 -19.430 -12.038 1.00 2.50 H new ATOM 0 HG23 VAL A 37 -0.327 -18.994 -12.108 1.00 2.50 H new ATOM 604 N ASP A 38 0.838 -20.968 -16.728 1.00 65.11 N ATOM 605 CA ASP A 38 0.589 -21.567 -18.034 1.00 31.51 C ATOM 606 C ASP A 38 1.571 -22.723 -18.268 1.00 32.31 C ATOM 607 O ASP A 38 2.344 -22.704 -19.224 1.00 42.32 O ATOM 608 CB ASP A 38 0.719 -20.437 -19.069 1.00 45.54 C ATOM 609 CG ASP A 38 0.401 -20.867 -20.500 1.00 33.14 C ATOM 610 OD1 ASP A 38 -0.778 -21.202 -20.746 1.00 62.43 O ATOM 611 OD2 ASP A 38 1.337 -20.830 -21.328 1.00 11.13 O ATOM 0 H ASP A 38 1.666 -20.372 -16.722 1.00 65.11 H new ATOM 0 HA ASP A 38 -0.407 -22.003 -18.112 1.00 31.51 H new ATOM 0 HB2 ASP A 38 0.052 -19.622 -18.788 1.00 45.54 H new ATOM 0 HB3 ASP A 38 1.735 -20.043 -19.036 1.00 45.54 H new ATOM 616 N LEU A 39 1.577 -23.705 -17.355 1.00 13.32 N ATOM 617 CA LEU A 39 2.613 -24.729 -17.261 1.00 52.03 C ATOM 618 C LEU A 39 2.783 -25.577 -18.522 1.00 11.01 C ATOM 619 O LEU A 39 1.853 -25.739 -19.313 1.00 73.31 O ATOM 620 CB LEU A 39 2.427 -25.611 -16.021 1.00 72.35 C ATOM 621 CG LEU A 39 1.238 -26.582 -16.111 1.00 64.42 C ATOM 622 CD1 LEU A 39 1.383 -27.663 -15.034 1.00 53.13 C ATOM 623 CD2 LEU A 39 -0.122 -25.908 -15.918 1.00 23.20 C ATOM 0 H LEU A 39 0.846 -23.807 -16.651 1.00 13.32 H new ATOM 0 HA LEU A 39 3.545 -24.174 -17.157 1.00 52.03 H new ATOM 0 HB2 LEU A 39 3.339 -26.185 -15.857 1.00 72.35 H new ATOM 0 HB3 LEU A 39 2.293 -24.970 -15.150 1.00 72.35 H new ATOM 0 HG LEU A 39 1.262 -26.998 -17.118 1.00 64.42 H new ATOM 0 HD11 LEU A 39 0.541 -28.353 -15.095 1.00 53.13 H new ATOM 0 HD12 LEU A 39 2.313 -28.210 -15.190 1.00 53.13 H new ATOM 0 HD13 LEU A 39 1.398 -27.196 -14.049 1.00 53.13 H new ATOM 0 HD21 LEU A 39 -0.912 -26.655 -15.995 1.00 23.20 H new ATOM 0 HD22 LEU A 39 -0.160 -25.439 -14.935 1.00 23.20 H new ATOM 0 HD23 LEU A 39 -0.264 -25.149 -16.687 1.00 23.20 H new ATOM 635 N LEU A 40 4.009 -26.094 -18.684 1.00 31.42 N ATOM 636 CA LEU A 40 4.532 -26.639 -19.930 1.00 73.35 C ATOM 637 C LEU A 40 5.140 -28.030 -19.719 1.00 20.44 C ATOM 638 O LEU A 40 5.338 -28.465 -18.585 1.00 4.30 O ATOM 639 CB LEU A 40 5.588 -25.669 -20.491 1.00 60.33 C ATOM 640 CG LEU A 40 5.091 -24.217 -20.609 1.00 33.35 C ATOM 641 CD1 LEU A 40 6.223 -23.316 -21.107 1.00 34.50 C ATOM 642 CD2 LEU A 40 3.895 -24.098 -21.557 1.00 12.34 C ATOM 0 H LEU A 40 4.682 -26.143 -17.919 1.00 31.42 H new ATOM 0 HA LEU A 40 3.713 -26.748 -20.641 1.00 73.35 H new ATOM 0 HB2 LEU A 40 6.468 -25.692 -19.848 1.00 60.33 H new ATOM 0 HB3 LEU A 40 5.903 -26.017 -21.475 1.00 60.33 H new ATOM 0 HG LEU A 40 4.769 -23.901 -19.617 1.00 33.35 H new ATOM 0 HD11 LEU A 40 5.863 -22.290 -21.188 1.00 34.50 H new ATOM 0 HD12 LEU A 40 7.055 -23.354 -20.404 1.00 34.50 H new ATOM 0 HD13 LEU A 40 6.559 -23.661 -22.085 1.00 34.50 H new ATOM 0 HD21 LEU A 40 3.576 -23.057 -21.611 1.00 12.34 H new ATOM 0 HD22 LEU A 40 4.183 -24.442 -22.551 1.00 12.34 H new ATOM 0 HD23 LEU A 40 3.074 -24.710 -21.185 1.00 12.34 H new ATOM 654 N LYS A 41 5.435 -28.717 -20.832 1.00 32.30 N ATOM 655 CA LYS A 41 6.024 -30.045 -20.866 1.00 0.44 C ATOM 656 C LYS A 41 6.923 -30.169 -22.094 1.00 11.13 C ATOM 657 O LYS A 41 6.434 -30.220 -23.219 1.00 4.22 O ATOM 658 CB LYS A 41 4.939 -31.137 -20.845 1.00 11.03 C ATOM 659 CG LYS A 41 3.818 -30.967 -21.882 1.00 31.30 C ATOM 660 CD LYS A 41 2.765 -32.082 -21.790 1.00 33.35 C ATOM 661 CE LYS A 41 3.280 -33.466 -22.208 1.00 34.10 C ATOM 662 NZ LYS A 41 3.850 -33.469 -23.568 1.00 24.33 N ATOM 0 H LYS A 41 5.260 -28.340 -21.764 1.00 32.30 H new ATOM 0 HA LYS A 41 6.631 -30.189 -19.972 1.00 0.44 H new ATOM 0 HB2 LYS A 41 5.416 -32.104 -21.005 1.00 11.03 H new ATOM 0 HB3 LYS A 41 4.492 -31.163 -19.851 1.00 11.03 H new ATOM 0 HG2 LYS A 41 3.335 -30.001 -21.736 1.00 31.30 H new ATOM 0 HG3 LYS A 41 4.250 -30.960 -22.883 1.00 31.30 H new ATOM 0 HD2 LYS A 41 2.398 -32.137 -20.765 1.00 33.35 H new ATOM 0 HD3 LYS A 41 1.915 -31.817 -22.419 1.00 33.35 H new ATOM 0 HE2 LYS A 41 4.039 -33.797 -21.499 1.00 34.10 H new ATOM 0 HE3 LYS A 41 2.462 -34.185 -22.159 1.00 34.10 H new ATOM 0 HZ1 LYS A 41 3.995 -34.450 -23.881 1.00 24.33 H new ATOM 0 HZ2 LYS A 41 3.196 -32.991 -24.220 1.00 24.33 H new ATOM 0 HZ3 LYS A 41 4.762 -32.968 -23.563 1.00 24.33 H new ATOM 676 N ASN A 42 8.243 -30.220 -21.879 1.00 23.11 N ATOM 677 CA ASN A 42 9.224 -30.403 -22.943 1.00 14.32 C ATOM 678 C ASN A 42 9.104 -29.310 -24.020 1.00 31.42 C ATOM 679 O ASN A 42 9.382 -29.567 -25.190 1.00 54.31 O ATOM 680 CB ASN A 42 9.094 -31.815 -23.546 1.00 35.15 C ATOM 681 CG ASN A 42 8.879 -32.901 -22.488 1.00 14.44 C ATOM 682 OD1 ASN A 42 7.755 -33.361 -22.291 1.00 25.34 O ATOM 683 ND2 ASN A 42 9.948 -33.317 -21.806 1.00 11.13 N ATOM 0 H ASN A 42 8.659 -30.134 -20.952 1.00 23.11 H new ATOM 0 HA ASN A 42 10.220 -30.307 -22.511 1.00 14.32 H new ATOM 0 HB2 ASN A 42 8.260 -31.829 -24.247 1.00 35.15 H new ATOM 0 HB3 ASN A 42 9.994 -32.045 -24.116 1.00 35.15 H new ATOM 0 HD21 ASN A 42 9.849 -34.040 -21.093 1.00 11.13 H new ATOM 0 HD22 ASN A 42 10.864 -32.912 -21.997 1.00 11.13 H new ATOM 690 N GLY A 43 8.663 -28.104 -23.628 1.00 51.05 N ATOM 691 CA GLY A 43 8.428 -26.974 -24.519 1.00 63.11 C ATOM 692 C GLY A 43 6.947 -26.788 -24.876 1.00 1.03 C ATOM 693 O GLY A 43 6.531 -25.662 -25.144 1.00 73.32 O ATOM 0 H GLY A 43 8.456 -27.890 -22.652 1.00 51.05 H new ATOM 0 HA2 GLY A 43 8.799 -26.064 -24.048 1.00 63.11 H new ATOM 0 HA3 GLY A 43 9.002 -27.116 -25.435 1.00 63.11 H new ATOM 697 N GLU A 44 6.152 -27.869 -24.899 1.00 60.21 N ATOM 698 CA GLU A 44 4.757 -27.852 -25.334 1.00 63.14 C ATOM 699 C GLU A 44 3.858 -27.322 -24.216 1.00 45.15 C ATOM 700 O GLU A 44 4.261 -27.333 -23.056 1.00 3.14 O ATOM 701 CB GLU A 44 4.314 -29.267 -25.726 1.00 34.42 C ATOM 702 CG GLU A 44 5.215 -29.901 -26.791 1.00 2.14 C ATOM 703 CD GLU A 44 4.783 -31.334 -27.085 1.00 11.53 C ATOM 704 OE1 GLU A 44 4.953 -32.178 -26.177 1.00 75.13 O ATOM 705 OE2 GLU A 44 4.288 -31.563 -28.210 1.00 22.34 O ATOM 0 H GLU A 44 6.472 -28.793 -24.610 1.00 60.21 H new ATOM 0 HA GLU A 44 4.670 -27.194 -26.199 1.00 63.14 H new ATOM 0 HB2 GLU A 44 4.309 -29.900 -24.838 1.00 34.42 H new ATOM 0 HB3 GLU A 44 3.290 -29.232 -26.098 1.00 34.42 H new ATOM 0 HG2 GLU A 44 5.175 -29.310 -27.706 1.00 2.14 H new ATOM 0 HG3 GLU A 44 6.250 -29.891 -26.450 1.00 2.14 H new ATOM 712 N ARG A 45 2.641 -26.874 -24.555 1.00 41.05 N ATOM 713 CA ARG A 45 1.670 -26.385 -23.581 1.00 73.14 C ATOM 714 C ARG A 45 0.676 -27.483 -23.201 1.00 20.33 C ATOM 715 O ARG A 45 0.220 -28.244 -24.054 1.00 43.21 O ATOM 716 CB ARG A 45 0.970 -25.123 -24.100 1.00 22.51 C ATOM 717 CG ARG A 45 -0.112 -24.670 -23.109 1.00 4.42 C ATOM 718 CD ARG A 45 -0.475 -23.193 -23.242 1.00 60.21 C ATOM 719 NE ARG A 45 -0.946 -22.831 -24.582 1.00 13.34 N ATOM 720 CZ ARG A 45 -1.447 -21.621 -24.882 1.00 11.22 C ATOM 721 NH1 ARG A 45 -1.534 -20.666 -23.943 1.00 14.32 N ATOM 722 NH2 ARG A 45 -1.863 -21.362 -26.129 1.00 11.21 N ATOM 0 H ARG A 45 2.306 -26.843 -25.518 1.00 41.05 H new ATOM 0 HA ARG A 45 2.201 -26.108 -22.670 1.00 73.14 H new ATOM 0 HB2 ARG A 45 1.700 -24.326 -24.242 1.00 22.51 H new ATOM 0 HB3 ARG A 45 0.522 -25.322 -25.073 1.00 22.51 H new ATOM 0 HG2 ARG A 45 -1.008 -25.272 -23.260 1.00 4.42 H new ATOM 0 HG3 ARG A 45 0.233 -24.862 -22.093 1.00 4.42 H new ATOM 0 HD2 ARG A 45 -1.249 -22.949 -22.514 1.00 60.21 H new ATOM 0 HD3 ARG A 45 0.397 -22.588 -22.995 1.00 60.21 H new ATOM 0 HE ARG A 45 -0.891 -23.531 -25.322 1.00 13.34 H new ATOM 0 HH11 ARG A 45 -1.218 -20.856 -22.992 1.00 14.32 H new ATOM 0 HH12 ARG A 45 -1.916 -19.750 -24.181 1.00 14.32 H new ATOM 0 HH21 ARG A 45 -1.799 -22.083 -26.848 1.00 11.21 H new ATOM 0 HH22 ARG A 45 -2.244 -20.444 -26.359 1.00 11.21 H new ATOM 736 N ILE A 46 0.351 -27.542 -21.903 1.00 21.11 N ATOM 737 CA ILE A 46 -0.565 -28.501 -21.311 1.00 22.43 C ATOM 738 C ILE A 46 -1.978 -27.930 -21.378 1.00 12.32 C ATOM 739 O ILE A 46 -2.335 -27.070 -20.575 1.00 63.51 O ATOM 740 CB ILE A 46 -0.135 -28.799 -19.862 1.00 63.24 C ATOM 741 CG1 ILE A 46 1.328 -29.265 -19.876 1.00 43.03 C ATOM 742 CG2 ILE A 46 -1.048 -29.865 -19.239 1.00 34.21 C ATOM 743 CD1 ILE A 46 1.823 -29.836 -18.550 1.00 75.31 C ATOM 0 H ILE A 46 0.739 -26.894 -21.218 1.00 21.11 H new ATOM 0 HA ILE A 46 -0.547 -29.443 -21.859 1.00 22.43 H new ATOM 0 HB ILE A 46 -0.224 -27.899 -19.253 1.00 63.24 H new ATOM 0 HG12 ILE A 46 1.447 -30.023 -20.650 1.00 43.03 H new ATOM 0 HG13 ILE A 46 1.962 -28.423 -20.154 1.00 43.03 H new ATOM 0 HG21 ILE A 46 -0.730 -30.063 -18.215 1.00 34.21 H new ATOM 0 HG22 ILE A 46 -2.077 -29.506 -19.236 1.00 34.21 H new ATOM 0 HG23 ILE A 46 -0.986 -30.783 -19.823 1.00 34.21 H new ATOM 0 HD11 ILE A 46 2.865 -30.140 -18.651 1.00 75.31 H new ATOM 0 HD12 ILE A 46 1.740 -29.076 -17.773 1.00 75.31 H new ATOM 0 HD13 ILE A 46 1.218 -30.701 -18.278 1.00 75.31 H new ATOM 755 N GLU A 47 -2.788 -28.435 -22.318 1.00 2.41 N ATOM 756 CA GLU A 47 -4.182 -28.041 -22.477 1.00 11.42 C ATOM 757 C GLU A 47 -5.075 -28.901 -21.567 1.00 22.21 C ATOM 758 O GLU A 47 -6.078 -29.460 -22.006 1.00 42.24 O ATOM 759 CB GLU A 47 -4.550 -28.135 -23.969 1.00 3.02 C ATOM 760 CG GLU A 47 -5.825 -27.363 -24.335 1.00 3.41 C ATOM 761 CD GLU A 47 -5.656 -25.858 -24.138 1.00 63.23 C ATOM 762 OE1 GLU A 47 -4.824 -25.275 -24.869 1.00 25.13 O ATOM 763 OE2 GLU A 47 -6.357 -25.317 -23.254 1.00 13.23 O ATOM 0 H GLU A 47 -2.484 -29.136 -22.994 1.00 2.41 H new ATOM 0 HA GLU A 47 -4.341 -27.008 -22.166 1.00 11.42 H new ATOM 0 HB2 GLU A 47 -3.720 -27.754 -24.564 1.00 3.02 H new ATOM 0 HB3 GLU A 47 -4.680 -29.183 -24.238 1.00 3.02 H new ATOM 0 HG2 GLU A 47 -6.087 -27.566 -25.373 1.00 3.41 H new ATOM 0 HG3 GLU A 47 -6.653 -27.719 -23.722 1.00 3.41 H new ATOM 770 N LYS A 48 -4.694 -28.992 -20.287 1.00 41.04 N ATOM 771 CA LYS A 48 -5.426 -29.649 -19.213 1.00 41.21 C ATOM 772 C LYS A 48 -4.773 -29.213 -17.898 1.00 13.03 C ATOM 773 O LYS A 48 -4.138 -30.012 -17.210 1.00 11.40 O ATOM 774 CB LYS A 48 -5.432 -31.180 -19.388 1.00 40.33 C ATOM 775 CG LYS A 48 -6.388 -31.852 -18.388 1.00 42.11 C ATOM 776 CD LYS A 48 -6.198 -33.372 -18.316 1.00 22.34 C ATOM 777 CE LYS A 48 -6.653 -34.088 -19.591 1.00 34.30 C ATOM 778 NZ LYS A 48 -6.499 -35.547 -19.462 1.00 0.10 N ATOM 0 H LYS A 48 -3.817 -28.585 -19.962 1.00 41.04 H new ATOM 0 HA LYS A 48 -6.476 -29.356 -19.222 1.00 41.21 H new ATOM 0 HB2 LYS A 48 -5.731 -31.431 -20.406 1.00 40.33 H new ATOM 0 HB3 LYS A 48 -4.423 -31.568 -19.248 1.00 40.33 H new ATOM 0 HG2 LYS A 48 -6.232 -31.423 -17.398 1.00 42.11 H new ATOM 0 HG3 LYS A 48 -7.417 -31.632 -18.672 1.00 42.11 H new ATOM 0 HD2 LYS A 48 -5.146 -33.594 -18.136 1.00 22.34 H new ATOM 0 HD3 LYS A 48 -6.757 -33.764 -17.466 1.00 22.34 H new ATOM 0 HE2 LYS A 48 -7.696 -33.846 -19.796 1.00 34.30 H new ATOM 0 HE3 LYS A 48 -6.070 -33.731 -20.440 1.00 34.30 H new ATOM 0 HZ1 LYS A 48 -6.814 -36.008 -20.339 1.00 0.10 H new ATOM 0 HZ2 LYS A 48 -5.499 -35.777 -19.290 1.00 0.10 H new ATOM 0 HZ3 LYS A 48 -7.075 -35.888 -18.666 1.00 0.10 H new ATOM 792 N VAL A 49 -4.919 -27.925 -17.566 1.00 64.23 N ATOM 793 CA VAL A 49 -4.431 -27.357 -16.321 1.00 44.34 C ATOM 794 C VAL A 49 -5.484 -27.638 -15.252 1.00 74.13 C ATOM 795 O VAL A 49 -6.575 -27.070 -15.294 1.00 53.25 O ATOM 796 CB VAL A 49 -4.208 -25.845 -16.481 1.00 11.12 C ATOM 797 CG1 VAL A 49 -3.620 -25.240 -15.199 1.00 64.43 C ATOM 798 CG2 VAL A 49 -3.311 -25.536 -17.689 1.00 61.33 C ATOM 0 H VAL A 49 -5.386 -27.246 -18.167 1.00 64.23 H new ATOM 0 HA VAL A 49 -3.476 -27.800 -16.038 1.00 44.34 H new ATOM 0 HB VAL A 49 -5.180 -25.386 -16.662 1.00 11.12 H new ATOM 0 HG11 VAL A 49 -3.471 -24.169 -15.337 1.00 64.43 H new ATOM 0 HG12 VAL A 49 -4.307 -25.407 -14.370 1.00 64.43 H new ATOM 0 HG13 VAL A 49 -2.663 -25.714 -14.979 1.00 64.43 H new ATOM 0 HG21 VAL A 49 -3.173 -24.458 -17.774 1.00 61.33 H new ATOM 0 HG22 VAL A 49 -2.342 -26.016 -17.555 1.00 61.33 H new ATOM 0 HG23 VAL A 49 -3.781 -25.914 -18.597 1.00 61.33 H new ATOM 808 N GLU A 50 -5.152 -28.512 -14.298 1.00 42.43 N ATOM 809 CA GLU A 50 -6.027 -28.829 -13.181 1.00 51.33 C ATOM 810 C GLU A 50 -5.628 -27.929 -12.019 1.00 23.21 C ATOM 811 O GLU A 50 -4.451 -27.849 -11.670 1.00 40.41 O ATOM 812 CB GLU A 50 -5.938 -30.304 -12.792 1.00 22.24 C ATOM 813 CG GLU A 50 -6.134 -31.261 -13.973 1.00 0.01 C ATOM 814 CD GLU A 50 -6.109 -32.714 -13.503 1.00 52.05 C ATOM 815 OE1 GLU A 50 -7.083 -33.109 -12.825 1.00 3.10 O ATOM 816 OE2 GLU A 50 -5.116 -33.402 -13.826 1.00 24.20 O ATOM 0 H GLU A 50 -4.266 -29.017 -14.284 1.00 42.43 H new ATOM 0 HA GLU A 50 -7.065 -28.653 -13.462 1.00 51.33 H new ATOM 0 HB2 GLU A 50 -4.965 -30.494 -12.338 1.00 22.24 H new ATOM 0 HB3 GLU A 50 -6.691 -30.517 -12.033 1.00 22.24 H new ATOM 0 HG2 GLU A 50 -7.083 -31.049 -14.465 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -5.349 -31.099 -14.712 1.00 0.01 H new ATOM 823 N HIS A 51 -6.615 -27.222 -11.466 1.00 41.04 N ATOM 824 CA HIS A 51 -6.420 -26.136 -10.521 1.00 73.23 C ATOM 825 C HIS A 51 -7.229 -26.421 -9.257 1.00 34.44 C ATOM 826 O HIS A 51 -8.379 -26.849 -9.349 1.00 32.45 O ATOM 827 CB HIS A 51 -6.804 -24.815 -11.200 1.00 12.52 C ATOM 828 CG HIS A 51 -8.206 -24.777 -11.754 1.00 22.43 C ATOM 829 ND1 HIS A 51 -8.498 -25.057 -13.081 1.00 51.12 N ATOM 830 CD2 HIS A 51 -9.415 -24.482 -11.172 1.00 31.21 C ATOM 831 CE1 HIS A 51 -9.826 -24.911 -13.235 1.00 62.35 C ATOM 832 NE2 HIS A 51 -10.444 -24.561 -12.105 1.00 4.04 N ATOM 0 H HIS A 51 -7.598 -27.399 -11.673 1.00 41.04 H new ATOM 0 HA HIS A 51 -5.376 -26.053 -10.218 1.00 73.23 H new ATOM 0 HB2 HIS A 51 -6.690 -24.005 -10.479 1.00 12.52 H new ATOM 0 HB3 HIS A 51 -6.102 -24.621 -12.011 1.00 12.52 H new ATOM 0 HD2 HIS A 51 -9.548 -24.224 -10.132 1.00 31.21 H new ATOM 0 HE1 HIS A 51 -10.338 -25.061 -14.174 1.00 62.35 H new ATOM 0 HE2 HIS A 51 -11.439 -24.391 -11.959 1.00 4.04 H new ATOM 840 N SER A 52 -6.617 -26.216 -8.083 1.00 1.32 N ATOM 841 CA SER A 52 -7.240 -26.506 -6.799 1.00 33.41 C ATOM 842 C SER A 52 -8.229 -25.396 -6.428 1.00 2.01 C ATOM 843 O SER A 52 -9.322 -25.347 -6.989 1.00 42.22 O ATOM 844 CB SER A 52 -6.164 -26.775 -5.735 1.00 64.54 C ATOM 845 OG SER A 52 -5.257 -25.700 -5.610 1.00 1.34 O ATOM 0 H SER A 52 -5.671 -25.842 -8.005 1.00 1.32 H new ATOM 0 HA SER A 52 -7.829 -27.421 -6.863 1.00 33.41 H new ATOM 0 HB2 SER A 52 -6.644 -26.957 -4.773 1.00 64.54 H new ATOM 0 HB3 SER A 52 -5.617 -27.681 -5.995 1.00 64.54 H new ATOM 0 HG SER A 52 -4.804 -25.753 -4.742 1.00 1.34 H new ATOM 851 N ASP A 53 -7.859 -24.517 -5.488 1.00 0.14 N ATOM 852 CA ASP A 53 -8.704 -23.436 -4.998 1.00 71.43 C ATOM 853 C ASP A 53 -7.826 -22.256 -4.586 1.00 13.02 C ATOM 854 O ASP A 53 -6.736 -22.451 -4.046 1.00 72.53 O ATOM 855 CB ASP A 53 -9.542 -23.916 -3.803 1.00 54.01 C ATOM 856 CG ASP A 53 -10.606 -24.936 -4.200 1.00 24.42 C ATOM 857 OD1 ASP A 53 -10.351 -26.141 -3.985 1.00 0.10 O ATOM 858 OD2 ASP A 53 -11.657 -24.490 -4.711 1.00 74.24 O ATOM 0 H ASP A 53 -6.942 -24.544 -5.041 1.00 0.14 H new ATOM 0 HA ASP A 53 -9.383 -23.122 -5.791 1.00 71.43 H new ATOM 0 HB2 ASP A 53 -8.882 -24.358 -3.056 1.00 54.01 H new ATOM 0 HB3 ASP A 53 -10.024 -23.058 -3.335 1.00 54.01 H new ATOM 863 N LEU A 54 -8.319 -21.034 -4.829 1.00 73.24 N ATOM 864 CA LEU A 54 -7.690 -19.792 -4.400 1.00 22.44 C ATOM 865 C LEU A 54 -7.939 -19.626 -2.897 1.00 61.52 C ATOM 866 O LEU A 54 -8.798 -18.853 -2.475 1.00 14.32 O ATOM 867 CB LEU A 54 -8.260 -18.622 -5.217 1.00 0.22 C ATOM 868 CG LEU A 54 -7.489 -17.317 -4.955 1.00 52.33 C ATOM 869 CD1 LEU A 54 -6.352 -17.156 -5.969 1.00 31.13 C ATOM 870 CD2 LEU A 54 -8.416 -16.102 -5.050 1.00 2.13 C ATOM 0 H LEU A 54 -9.188 -20.886 -5.342 1.00 73.24 H new ATOM 0 HA LEU A 54 -6.614 -19.811 -4.572 1.00 22.44 H new ATOM 0 HB2 LEU A 54 -8.216 -18.864 -6.279 1.00 0.22 H new ATOM 0 HB3 LEU A 54 -9.311 -18.481 -4.966 1.00 0.22 H new ATOM 0 HG LEU A 54 -7.078 -17.374 -3.947 1.00 52.33 H new ATOM 0 HD11 LEU A 54 -5.816 -16.228 -5.770 1.00 31.13 H new ATOM 0 HD12 LEU A 54 -5.665 -17.998 -5.882 1.00 31.13 H new ATOM 0 HD13 LEU A 54 -6.765 -17.128 -6.977 1.00 31.13 H new ATOM 0 HD21 LEU A 54 -7.845 -15.193 -4.860 1.00 2.13 H new ATOM 0 HD22 LEU A 54 -8.853 -16.055 -6.048 1.00 2.13 H new ATOM 0 HD23 LEU A 54 -9.211 -16.192 -4.310 1.00 2.13 H new ATOM 882 N SER A 55 -7.195 -20.398 -2.100 1.00 51.24 N ATOM 883 CA SER A 55 -7.441 -20.593 -0.680 1.00 45.41 C ATOM 884 C SER A 55 -6.511 -19.709 0.143 1.00 53.31 C ATOM 885 O SER A 55 -5.340 -19.550 -0.192 1.00 1.20 O ATOM 886 CB SER A 55 -7.251 -22.071 -0.334 1.00 21.10 C ATOM 887 OG SER A 55 -8.173 -22.859 -1.053 1.00 5.43 O ATOM 0 H SER A 55 -6.385 -20.916 -2.440 1.00 51.24 H new ATOM 0 HA SER A 55 -8.465 -20.307 -0.441 1.00 45.41 H new ATOM 0 HB2 SER A 55 -6.233 -22.380 -0.572 1.00 21.10 H new ATOM 0 HB3 SER A 55 -7.388 -22.223 0.737 1.00 21.10 H new ATOM 0 HG SER A 55 -8.043 -23.804 -0.826 1.00 5.43 H new ATOM 893 N PHE A 56 -7.053 -19.130 1.216 1.00 13.04 N ATOM 894 CA PHE A 56 -6.392 -18.133 2.041 1.00 64.13 C ATOM 895 C PHE A 56 -5.598 -18.824 3.150 1.00 75.43 C ATOM 896 O PHE A 56 -6.190 -19.330 4.102 1.00 40.31 O ATOM 897 CB PHE A 56 -7.460 -17.194 2.616 1.00 3.00 C ATOM 898 CG PHE A 56 -8.255 -16.443 1.561 1.00 42.42 C ATOM 899 CD1 PHE A 56 -7.834 -15.171 1.131 1.00 1.43 C ATOM 900 CD2 PHE A 56 -9.395 -17.030 0.979 1.00 43.04 C ATOM 901 CE1 PHE A 56 -8.553 -14.487 0.135 1.00 0.02 C ATOM 902 CE2 PHE A 56 -10.078 -16.371 -0.059 1.00 73.21 C ATOM 903 CZ PHE A 56 -9.656 -15.100 -0.482 1.00 33.24 C ATOM 0 H PHE A 56 -7.994 -19.353 1.540 1.00 13.04 H new ATOM 0 HA PHE A 56 -5.689 -17.548 1.448 1.00 64.13 H new ATOM 0 HB2 PHE A 56 -8.148 -17.776 3.229 1.00 3.00 H new ATOM 0 HB3 PHE A 56 -6.978 -16.472 3.275 1.00 3.00 H new ATOM 0 HD1 PHE A 56 -6.956 -14.719 1.567 1.00 1.43 H new ATOM 0 HD2 PHE A 56 -9.746 -17.989 1.331 1.00 43.04 H new ATOM 0 HE1 PHE A 56 -8.257 -13.490 -0.156 1.00 0.02 H new ATOM 0 HE2 PHE A 56 -10.927 -16.843 -0.531 1.00 73.21 H new ATOM 0 HZ PHE A 56 -10.179 -14.595 -1.281 1.00 33.24 H new ATOM 913 N SER A 57 -4.262 -18.840 3.033 1.00 73.32 N ATOM 914 CA SER A 57 -3.379 -19.419 4.041 1.00 32.24 C ATOM 915 C SER A 57 -3.530 -18.684 5.375 1.00 71.13 C ATOM 916 O SER A 57 -3.663 -19.326 6.416 1.00 13.32 O ATOM 917 CB SER A 57 -1.926 -19.394 3.552 1.00 0.50 C ATOM 918 OG SER A 57 -1.048 -19.835 4.566 1.00 64.42 O ATOM 0 H SER A 57 -3.767 -18.449 2.231 1.00 73.32 H new ATOM 0 HA SER A 57 -3.663 -20.459 4.202 1.00 32.24 H new ATOM 0 HB2 SER A 57 -1.822 -20.030 2.673 1.00 0.50 H new ATOM 0 HB3 SER A 57 -1.658 -18.383 3.247 1.00 0.50 H new ATOM 0 HG SER A 57 -0.127 -19.813 4.233 1.00 64.42 H new ATOM 965 N SER A 61 -2.941 -14.489 1.047 1.00 33.20 N ATOM 966 CA SER A 61 -1.831 -15.304 0.573 1.00 43.03 C ATOM 967 C SER A 61 -2.429 -16.575 -0.035 1.00 62.21 C ATOM 968 O SER A 61 -2.906 -17.444 0.694 1.00 14.42 O ATOM 969 CB SER A 61 -0.821 -15.618 1.689 1.00 73.34 C ATOM 970 OG SER A 61 -1.470 -15.942 2.898 1.00 32.40 O ATOM 0 HA SER A 61 -1.261 -14.758 -0.179 1.00 43.03 H new ATOM 0 HB2 SER A 61 -0.185 -16.449 1.382 1.00 73.34 H new ATOM 0 HB3 SER A 61 -0.169 -14.758 1.844 1.00 73.34 H new ATOM 0 HG SER A 61 -2.352 -15.515 2.921 1.00 32.40 H new ATOM 976 N PHE A 62 -2.457 -16.643 -1.373 1.00 63.13 N ATOM 977 CA PHE A 62 -3.266 -17.603 -2.111 1.00 61.34 C ATOM 978 C PHE A 62 -2.429 -18.820 -2.491 1.00 14.22 C ATOM 979 O PHE A 62 -1.588 -18.719 -3.381 1.00 15.15 O ATOM 980 CB PHE A 62 -3.858 -16.940 -3.361 1.00 24.12 C ATOM 981 CG PHE A 62 -4.468 -15.563 -3.161 1.00 64.12 C ATOM 982 CD1 PHE A 62 -5.152 -15.230 -1.975 1.00 23.25 C ATOM 983 CD2 PHE A 62 -4.258 -14.577 -4.142 1.00 71.13 C ATOM 984 CE1 PHE A 62 -5.527 -13.897 -1.735 1.00 31.24 C ATOM 985 CE2 PHE A 62 -4.665 -13.253 -3.915 1.00 51.24 C ATOM 986 CZ PHE A 62 -5.298 -12.912 -2.710 1.00 11.21 C ATOM 0 H PHE A 62 -1.911 -16.024 -1.972 1.00 63.13 H new ATOM 0 HA PHE A 62 -4.086 -17.938 -1.475 1.00 61.34 H new ATOM 0 HB2 PHE A 62 -3.072 -16.862 -4.113 1.00 24.12 H new ATOM 0 HB3 PHE A 62 -4.625 -17.599 -3.769 1.00 24.12 H new ATOM 0 HD1 PHE A 62 -5.387 -15.997 -1.252 1.00 23.25 H new ATOM 0 HD2 PHE A 62 -3.781 -14.840 -5.075 1.00 71.13 H new ATOM 0 HE1 PHE A 62 -5.993 -13.629 -0.798 1.00 31.24 H new ATOM 0 HE2 PHE A 62 -4.491 -12.498 -4.667 1.00 51.24 H new ATOM 0 HZ PHE A 62 -5.609 -11.893 -2.532 1.00 11.21 H new ATOM 996 N TYR A 63 -2.655 -19.960 -1.826 1.00 65.34 N ATOM 997 CA TYR A 63 -1.928 -21.194 -2.103 1.00 74.24 C ATOM 998 C TYR A 63 -2.668 -22.068 -3.116 1.00 41.45 C ATOM 999 O TYR A 63 -3.535 -22.857 -2.747 1.00 40.24 O ATOM 1000 CB TYR A 63 -1.571 -21.934 -0.809 1.00 14.04 C ATOM 1001 CG TYR A 63 -2.714 -22.487 0.027 1.00 14.14 C ATOM 1002 CD1 TYR A 63 -3.430 -21.648 0.899 1.00 31.14 C ATOM 1003 CD2 TYR A 63 -3.019 -23.862 -0.017 1.00 12.53 C ATOM 1004 CE1 TYR A 63 -4.474 -22.169 1.685 1.00 4.12 C ATOM 1005 CE2 TYR A 63 -4.071 -24.380 0.757 1.00 64.44 C ATOM 1006 CZ TYR A 63 -4.804 -23.531 1.602 1.00 44.03 C ATOM 1007 OH TYR A 63 -5.840 -24.032 2.336 1.00 22.42 O ATOM 0 H TYR A 63 -3.348 -20.047 -1.082 1.00 65.34 H new ATOM 0 HA TYR A 63 -0.980 -20.930 -2.573 1.00 74.24 H new ATOM 0 HB2 TYR A 63 -0.913 -22.763 -1.068 1.00 14.04 H new ATOM 0 HB3 TYR A 63 -0.995 -21.254 -0.182 1.00 14.04 H new ATOM 0 HD1 TYR A 63 -3.178 -20.600 0.966 1.00 31.14 H new ATOM 0 HD2 TYR A 63 -2.441 -24.521 -0.649 1.00 12.53 H new ATOM 0 HE1 TYR A 63 -5.022 -21.521 2.353 1.00 4.12 H new ATOM 0 HE2 TYR A 63 -4.316 -25.430 0.702 1.00 64.44 H new ATOM 0 HH TYR A 63 -5.932 -24.991 2.159 1.00 22.42 H new ATOM 1017 N LEU A 64 -2.322 -21.907 -4.400 1.00 40.03 N ATOM 1018 CA LEU A 64 -3.046 -22.535 -5.503 1.00 1.20 C ATOM 1019 C LEU A 64 -2.116 -23.509 -6.235 1.00 1.04 C ATOM 1020 O LEU A 64 -1.070 -23.105 -6.742 1.00 53.35 O ATOM 1021 CB LEU A 64 -3.640 -21.452 -6.423 1.00 24.34 C ATOM 1022 CG LEU A 64 -4.928 -21.909 -7.138 1.00 44.24 C ATOM 1023 CD1 LEU A 64 -5.604 -20.739 -7.858 1.00 33.45 C ATOM 1024 CD2 LEU A 64 -4.695 -23.062 -8.114 1.00 51.35 C ATOM 0 H LEU A 64 -1.531 -21.337 -4.699 1.00 40.03 H new ATOM 0 HA LEU A 64 -3.887 -23.119 -5.128 1.00 1.20 H new ATOM 0 HB2 LEU A 64 -3.855 -20.560 -5.834 1.00 24.34 H new ATOM 0 HB3 LEU A 64 -2.897 -21.170 -7.169 1.00 24.34 H new ATOM 0 HG LEU A 64 -5.590 -22.280 -6.356 1.00 44.24 H new ATOM 0 HD11 LEU A 64 -6.509 -21.091 -8.353 1.00 33.45 H new ATOM 0 HD12 LEU A 64 -5.863 -19.967 -7.134 1.00 33.45 H new ATOM 0 HD13 LEU A 64 -4.922 -20.326 -8.601 1.00 33.45 H new ATOM 0 HD21 LEU A 64 -5.639 -23.337 -8.584 1.00 51.35 H new ATOM 0 HD22 LEU A 64 -3.984 -22.752 -8.880 1.00 51.35 H new ATOM 0 HD23 LEU A 64 -4.295 -23.920 -7.574 1.00 51.35 H new ATOM 1036 N LEU A 65 -2.500 -24.790 -6.268 1.00 74.23 N ATOM 1037 CA LEU A 65 -1.775 -25.871 -6.924 1.00 41.21 C ATOM 1038 C LEU A 65 -2.199 -25.971 -8.391 1.00 1.41 C ATOM 1039 O LEU A 65 -3.393 -25.984 -8.681 1.00 2.24 O ATOM 1040 CB LEU A 65 -2.091 -27.183 -6.193 1.00 74.43 C ATOM 1041 CG LEU A 65 -1.285 -28.382 -6.714 1.00 40.42 C ATOM 1042 CD1 LEU A 65 0.173 -28.312 -6.258 1.00 53.13 C ATOM 1043 CD2 LEU A 65 -1.906 -29.689 -6.207 1.00 53.12 C ATOM 0 H LEU A 65 -3.359 -25.109 -5.819 1.00 74.23 H new ATOM 0 HA LEU A 65 -0.703 -25.676 -6.889 1.00 41.21 H new ATOM 0 HB2 LEU A 65 -1.891 -27.055 -5.129 1.00 74.43 H new ATOM 0 HB3 LEU A 65 -3.155 -27.399 -6.293 1.00 74.43 H new ATOM 0 HG LEU A 65 -1.312 -28.353 -7.803 1.00 40.42 H new ATOM 0 HD11 LEU A 65 0.717 -29.175 -6.643 1.00 53.13 H new ATOM 0 HD12 LEU A 65 0.629 -27.397 -6.637 1.00 53.13 H new ATOM 0 HD13 LEU A 65 0.214 -28.314 -5.169 1.00 53.13 H new ATOM 0 HD21 LEU A 65 -1.329 -30.535 -6.581 1.00 53.12 H new ATOM 0 HD22 LEU A 65 -1.898 -29.697 -5.117 1.00 53.12 H new ATOM 0 HD23 LEU A 65 -2.934 -29.765 -6.562 1.00 53.12 H new ATOM 1055 N TYR A 66 -1.222 -26.072 -9.302 1.00 60.13 N ATOM 1056 CA TYR A 66 -1.441 -26.207 -10.737 1.00 73.11 C ATOM 1057 C TYR A 66 -0.794 -27.505 -11.228 1.00 40.11 C ATOM 1058 O TYR A 66 0.388 -27.514 -11.572 1.00 53.34 O ATOM 1059 CB TYR A 66 -0.870 -24.977 -11.449 1.00 20.24 C ATOM 1060 CG TYR A 66 -1.599 -23.688 -11.129 1.00 51.02 C ATOM 1061 CD1 TYR A 66 -2.723 -23.313 -11.887 1.00 24.13 C ATOM 1062 CD2 TYR A 66 -1.122 -22.835 -10.115 1.00 43.33 C ATOM 1063 CE1 TYR A 66 -3.322 -22.059 -11.684 1.00 1.22 C ATOM 1064 CE2 TYR A 66 -1.722 -21.583 -9.910 1.00 23.30 C ATOM 1065 CZ TYR A 66 -2.805 -21.184 -10.714 1.00 52.33 C ATOM 1066 OH TYR A 66 -3.356 -19.947 -10.555 1.00 23.40 O ATOM 0 H TYR A 66 -0.234 -26.061 -9.048 1.00 60.13 H new ATOM 0 HA TYR A 66 -2.506 -26.261 -10.961 1.00 73.11 H new ATOM 0 HB2 TYR A 66 0.180 -24.866 -11.176 1.00 20.24 H new ATOM 0 HB3 TYR A 66 -0.904 -25.144 -12.526 1.00 20.24 H new ATOM 0 HD1 TYR A 66 -3.126 -23.990 -12.626 1.00 24.13 H new ATOM 0 HD2 TYR A 66 -0.294 -23.145 -9.495 1.00 43.33 H new ATOM 0 HE1 TYR A 66 -4.179 -21.768 -12.273 1.00 1.22 H new ATOM 0 HE2 TYR A 66 -1.353 -20.927 -9.136 1.00 23.30 H new ATOM 0 HH TYR A 66 -3.056 -19.562 -9.705 1.00 23.40 H new ATOM 1076 N TYR A 67 -1.566 -28.603 -11.225 1.00 60.44 N ATOM 1077 CA TYR A 67 -1.040 -29.961 -11.344 1.00 74.43 C ATOM 1078 C TYR A 67 -1.461 -30.642 -12.652 1.00 1.30 C ATOM 1079 O TYR A 67 -2.650 -30.784 -12.921 1.00 12.42 O ATOM 1080 CB TYR A 67 -1.468 -30.800 -10.126 1.00 3.01 C ATOM 1081 CG TYR A 67 -2.963 -30.999 -9.925 1.00 15.14 C ATOM 1082 CD1 TYR A 67 -3.572 -32.196 -10.347 1.00 63.31 C ATOM 1083 CD2 TYR A 67 -3.738 -30.018 -9.276 1.00 12.15 C ATOM 1084 CE1 TYR A 67 -4.950 -32.394 -10.161 1.00 41.15 C ATOM 1085 CE2 TYR A 67 -5.119 -30.211 -9.098 1.00 75.44 C ATOM 1086 CZ TYR A 67 -5.728 -31.396 -9.549 1.00 31.20 C ATOM 1087 OH TYR A 67 -7.073 -31.571 -9.397 1.00 62.42 O ATOM 0 H TYR A 67 -2.582 -28.567 -11.139 1.00 60.44 H new ATOM 0 HA TYR A 67 0.047 -29.890 -11.367 1.00 74.43 H new ATOM 0 HB2 TYR A 67 -1.002 -31.782 -10.208 1.00 3.01 H new ATOM 0 HB3 TYR A 67 -1.064 -30.330 -9.230 1.00 3.01 H new ATOM 0 HD1 TYR A 67 -2.977 -32.966 -10.816 1.00 63.31 H new ATOM 0 HD2 TYR A 67 -3.270 -29.115 -8.914 1.00 12.15 H new ATOM 0 HE1 TYR A 67 -5.412 -33.314 -10.488 1.00 41.15 H new ATOM 0 HE2 TYR A 67 -5.713 -29.449 -8.615 1.00 75.44 H new ATOM 0 HH TYR A 67 -7.457 -30.786 -8.954 1.00 62.42 H new ATOM 1097 N THR A 68 -0.486 -31.106 -13.443 1.00 61.32 N ATOM 1098 CA THR A 68 -0.711 -31.979 -14.595 1.00 53.34 C ATOM 1099 C THR A 68 -0.404 -33.438 -14.213 1.00 13.40 C ATOM 1100 O THR A 68 -0.114 -33.723 -13.053 1.00 54.12 O ATOM 1101 CB THR A 68 0.146 -31.486 -15.774 1.00 44.13 C ATOM 1102 OG1 THR A 68 -0.174 -32.206 -16.949 1.00 44.13 O ATOM 1103 CG2 THR A 68 1.650 -31.607 -15.497 1.00 55.14 C ATOM 0 H THR A 68 0.498 -30.880 -13.295 1.00 61.32 H new ATOM 0 HA THR A 68 -1.756 -31.944 -14.904 1.00 53.34 H new ATOM 0 HB THR A 68 -0.084 -30.429 -15.909 1.00 44.13 H new ATOM 0 HG1 THR A 68 0.625 -32.669 -17.277 1.00 44.13 H new ATOM 0 HG21 THR A 68 2.209 -31.246 -16.360 1.00 55.14 H new ATOM 0 HG22 THR A 68 1.908 -31.010 -14.622 1.00 55.14 H new ATOM 0 HG23 THR A 68 1.903 -32.651 -15.312 1.00 55.14 H new ATOM 1111 N GLU A 69 -0.417 -34.342 -15.204 1.00 1.55 N ATOM 1112 CA GLU A 69 0.135 -35.689 -15.118 1.00 63.33 C ATOM 1113 C GLU A 69 0.993 -35.933 -16.361 1.00 40.32 C ATOM 1114 O GLU A 69 0.479 -36.318 -17.411 1.00 3.43 O ATOM 1115 CB GLU A 69 -0.982 -36.730 -14.969 1.00 61.34 C ATOM 1116 CG GLU A 69 -0.391 -38.132 -14.742 1.00 52.43 C ATOM 1117 CD GLU A 69 -1.455 -39.213 -14.554 1.00 40.41 C ATOM 1118 OE1 GLU A 69 -1.064 -40.309 -14.096 1.00 31.40 O ATOM 1119 OE2 GLU A 69 -2.632 -38.940 -14.875 1.00 12.12 O ATOM 0 H GLU A 69 -0.828 -34.142 -16.116 1.00 1.55 H new ATOM 0 HA GLU A 69 0.760 -35.787 -14.231 1.00 63.33 H new ATOM 0 HB2 GLU A 69 -1.627 -36.462 -14.132 1.00 61.34 H new ATOM 0 HB3 GLU A 69 -1.605 -36.733 -15.863 1.00 61.34 H new ATOM 0 HG2 GLU A 69 0.238 -38.395 -15.592 1.00 52.43 H new ATOM 0 HG3 GLU A 69 0.253 -38.109 -13.863 1.00 52.43 H new ATOM 1126 N PHE A 70 2.303 -35.691 -16.236 1.00 60.31 N ATOM 1127 CA PHE A 70 3.267 -35.826 -17.321 1.00 64.23 C ATOM 1128 C PHE A 70 3.894 -37.222 -17.322 1.00 22.23 C ATOM 1129 O PHE A 70 4.020 -37.841 -16.268 1.00 14.23 O ATOM 1130 CB PHE A 70 4.344 -34.740 -17.196 1.00 2.22 C ATOM 1131 CG PHE A 70 5.210 -34.808 -15.949 1.00 40.11 C ATOM 1132 CD1 PHE A 70 4.809 -34.149 -14.773 1.00 61.14 C ATOM 1133 CD2 PHE A 70 6.419 -35.526 -15.963 1.00 13.05 C ATOM 1134 CE1 PHE A 70 5.591 -34.242 -13.610 1.00 54.11 C ATOM 1135 CE2 PHE A 70 7.207 -35.604 -14.802 1.00 15.23 C ATOM 1136 CZ PHE A 70 6.778 -34.985 -13.620 1.00 54.01 C ATOM 0 H PHE A 70 2.726 -35.390 -15.358 1.00 60.31 H new ATOM 0 HA PHE A 70 2.749 -35.697 -18.271 1.00 64.23 H new ATOM 0 HB2 PHE A 70 4.993 -34.796 -18.070 1.00 2.22 H new ATOM 0 HB3 PHE A 70 3.856 -33.766 -17.224 1.00 2.22 H new ATOM 0 HD1 PHE A 70 3.897 -33.570 -14.764 1.00 61.14 H new ATOM 0 HD2 PHE A 70 6.743 -36.019 -16.868 1.00 13.05 H new ATOM 0 HE1 PHE A 70 5.277 -33.740 -12.707 1.00 54.11 H new ATOM 0 HE2 PHE A 70 8.144 -36.141 -14.821 1.00 15.23 H new ATOM 0 HZ PHE A 70 7.363 -35.081 -12.717 1.00 54.01 H new ATOM 1146 N THR A 71 4.299 -37.702 -18.506 1.00 12.10 N ATOM 1147 CA THR A 71 4.992 -38.972 -18.686 1.00 0.50 C ATOM 1148 C THR A 71 6.491 -38.704 -18.876 1.00 40.15 C ATOM 1149 O THR A 71 6.903 -38.436 -20.005 1.00 20.13 O ATOM 1150 CB THR A 71 4.396 -39.712 -19.897 1.00 41.13 C ATOM 1151 OG1 THR A 71 3.015 -39.924 -19.682 1.00 0.23 O ATOM 1152 CG2 THR A 71 5.073 -41.072 -20.123 1.00 61.24 C ATOM 0 H THR A 71 4.147 -37.201 -19.382 1.00 12.10 H new ATOM 0 HA THR A 71 4.864 -39.603 -17.807 1.00 0.50 H new ATOM 0 HB THR A 71 4.562 -39.094 -20.779 1.00 41.13 H new ATOM 0 HG1 THR A 71 2.632 -40.394 -20.452 1.00 0.23 H new ATOM 0 HG21 THR A 71 4.624 -41.563 -20.987 1.00 61.24 H new ATOM 0 HG22 THR A 71 6.138 -40.923 -20.303 1.00 61.24 H new ATOM 0 HG23 THR A 71 4.938 -41.697 -19.240 1.00 61.24 H new ATOM 1160 N PRO A 72 7.325 -38.774 -17.823 1.00 41.42 N ATOM 1161 CA PRO A 72 8.763 -38.592 -17.949 1.00 75.33 C ATOM 1162 C PRO A 72 9.380 -39.768 -18.699 1.00 72.31 C ATOM 1163 O PRO A 72 9.125 -40.921 -18.358 1.00 52.12 O ATOM 1164 CB PRO A 72 9.302 -38.504 -16.521 1.00 3.02 C ATOM 1165 CG PRO A 72 8.298 -39.331 -15.721 1.00 51.24 C ATOM 1166 CD PRO A 72 6.976 -39.076 -16.445 1.00 73.13 C ATOM 0 HA PRO A 72 9.011 -37.694 -18.515 1.00 75.33 H new ATOM 0 HB2 PRO A 72 10.311 -38.910 -16.445 1.00 3.02 H new ATOM 0 HB3 PRO A 72 9.346 -37.473 -16.170 1.00 3.02 H new ATOM 0 HG2 PRO A 72 8.559 -40.389 -15.720 1.00 51.24 H new ATOM 0 HG3 PRO A 72 8.254 -39.013 -14.679 1.00 51.24 H new ATOM 0 HD2 PRO A 72 6.326 -39.949 -16.390 1.00 73.13 H new ATOM 0 HD3 PRO A 72 6.435 -38.247 -15.989 1.00 73.13 H new ATOM 1174 N THR A 73 10.190 -39.466 -19.719 1.00 43.04 N ATOM 1175 CA THR A 73 10.908 -40.466 -20.491 1.00 65.33 C ATOM 1176 C THR A 73 12.245 -40.748 -19.798 1.00 43.32 C ATOM 1177 O THR A 73 12.377 -41.762 -19.114 1.00 15.30 O ATOM 1178 CB THR A 73 11.057 -40.007 -21.953 1.00 74.44 C ATOM 1179 OG1 THR A 73 11.699 -38.750 -22.049 1.00 72.51 O ATOM 1180 CG2 THR A 73 9.685 -39.908 -22.631 1.00 4.04 C ATOM 0 H THR A 73 10.362 -38.510 -20.029 1.00 43.04 H new ATOM 0 HA THR A 73 10.353 -41.403 -20.531 1.00 65.33 H new ATOM 0 HB THR A 73 11.671 -40.755 -22.455 1.00 74.44 H new ATOM 0 HG1 THR A 73 11.777 -38.494 -22.992 1.00 72.51 H new ATOM 0 HG21 THR A 73 9.812 -39.582 -23.663 1.00 4.04 H new ATOM 0 HG22 THR A 73 9.200 -40.884 -22.616 1.00 4.04 H new ATOM 0 HG23 THR A 73 9.066 -39.187 -22.097 1.00 4.04 H new ATOM 1188 N GLU A 74 13.217 -39.840 -19.961 1.00 13.00 N ATOM 1189 CA GLU A 74 14.550 -39.929 -19.382 1.00 51.02 C ATOM 1190 C GLU A 74 15.251 -38.584 -19.553 1.00 22.35 C ATOM 1191 O GLU A 74 15.496 -37.887 -18.569 1.00 60.43 O ATOM 1192 CB GLU A 74 15.332 -41.083 -20.032 1.00 22.10 C ATOM 1193 CG GLU A 74 16.776 -41.197 -19.530 1.00 73.54 C ATOM 1194 CD GLU A 74 17.500 -42.331 -20.250 1.00 22.14 C ATOM 1195 OE1 GLU A 74 18.095 -42.041 -21.311 1.00 40.32 O ATOM 1196 OE2 GLU A 74 17.434 -43.469 -19.735 1.00 61.55 O ATOM 0 H GLU A 74 13.085 -38.997 -20.520 1.00 13.00 H new ATOM 0 HA GLU A 74 14.490 -40.149 -18.316 1.00 51.02 H new ATOM 0 HB2 GLU A 74 14.812 -42.021 -19.836 1.00 22.10 H new ATOM 0 HB3 GLU A 74 15.341 -40.943 -21.113 1.00 22.10 H new ATOM 0 HG2 GLU A 74 17.302 -40.257 -19.698 1.00 73.54 H new ATOM 0 HG3 GLU A 74 16.781 -41.378 -18.455 1.00 73.54 H new ATOM 1203 N LYS A 75 15.554 -38.214 -20.805 1.00 41.11 N ATOM 1204 CA LYS A 75 16.151 -36.931 -21.147 1.00 20.25 C ATOM 1205 C LYS A 75 15.031 -35.902 -21.341 1.00 11.44 C ATOM 1206 O LYS A 75 14.916 -35.272 -22.391 1.00 75.41 O ATOM 1207 CB LYS A 75 17.038 -37.107 -22.388 1.00 44.13 C ATOM 1208 CG LYS A 75 17.955 -35.896 -22.600 1.00 22.32 C ATOM 1209 CD LYS A 75 18.781 -36.073 -23.879 1.00 53.43 C ATOM 1210 CE LYS A 75 19.659 -34.847 -24.151 1.00 53.12 C ATOM 1211 NZ LYS A 75 18.853 -33.643 -24.422 1.00 54.44 N ATOM 0 H LYS A 75 15.386 -38.811 -21.615 1.00 41.11 H new ATOM 0 HA LYS A 75 16.793 -36.560 -20.348 1.00 20.25 H new ATOM 0 HB2 LYS A 75 17.642 -38.008 -22.280 1.00 44.13 H new ATOM 0 HB3 LYS A 75 16.410 -37.248 -23.268 1.00 44.13 H new ATOM 0 HG2 LYS A 75 17.358 -34.986 -22.667 1.00 22.32 H new ATOM 0 HG3 LYS A 75 18.619 -35.779 -21.743 1.00 22.32 H new ATOM 0 HD2 LYS A 75 19.409 -36.959 -23.789 1.00 53.43 H new ATOM 0 HD3 LYS A 75 18.114 -36.240 -24.725 1.00 53.43 H new ATOM 0 HE2 LYS A 75 20.305 -34.666 -23.292 1.00 53.12 H new ATOM 0 HE3 LYS A 75 20.309 -35.048 -25.002 1.00 53.12 H new ATOM 0 HZ1 LYS A 75 19.463 -32.897 -24.813 1.00 54.44 H new ATOM 0 HZ2 LYS A 75 18.105 -33.873 -25.107 1.00 54.44 H new ATOM 0 HZ3 LYS A 75 18.421 -33.308 -23.537 1.00 54.44 H new ATOM 1225 N ASP A 76 14.188 -35.764 -20.312 1.00 55.02 N ATOM 1226 CA ASP A 76 13.022 -34.897 -20.293 1.00 72.51 C ATOM 1227 C ASP A 76 13.341 -33.575 -19.592 1.00 23.20 C ATOM 1228 O ASP A 76 14.415 -33.419 -19.009 1.00 31.32 O ATOM 1229 CB ASP A 76 11.869 -35.643 -19.614 1.00 2.13 C ATOM 1230 CG ASP A 76 12.209 -36.099 -18.195 1.00 54.55 C ATOM 1231 OD1 ASP A 76 12.427 -37.319 -18.027 1.00 61.54 O ATOM 1232 OD2 ASP A 76 12.239 -35.223 -17.304 1.00 14.32 O ATOM 0 H ASP A 76 14.311 -36.277 -19.439 1.00 55.02 H new ATOM 0 HA ASP A 76 12.726 -34.645 -21.311 1.00 72.51 H new ATOM 0 HB2 ASP A 76 10.993 -34.995 -19.582 1.00 2.13 H new ATOM 0 HB3 ASP A 76 11.601 -36.512 -20.215 1.00 2.13 H new ATOM 1237 N GLU A 77 12.405 -32.620 -19.662 1.00 44.02 N ATOM 1238 CA GLU A 77 12.578 -31.276 -19.132 1.00 13.01 C ATOM 1239 C GLU A 77 11.220 -30.572 -19.005 1.00 12.50 C ATOM 1240 O GLU A 77 10.836 -29.772 -19.855 1.00 13.13 O ATOM 1241 CB GLU A 77 13.628 -30.483 -19.943 1.00 42.01 C ATOM 1242 CG GLU A 77 13.410 -30.339 -21.461 1.00 71.43 C ATOM 1243 CD GLU A 77 13.512 -31.654 -22.233 1.00 14.33 C ATOM 1244 OE1 GLU A 77 14.647 -32.169 -22.335 1.00 63.32 O ATOM 1245 OE2 GLU A 77 12.456 -32.116 -22.714 1.00 41.52 O ATOM 0 H GLU A 77 11.494 -32.769 -20.097 1.00 44.02 H new ATOM 0 HA GLU A 77 12.984 -31.336 -18.122 1.00 13.01 H new ATOM 0 HB2 GLU A 77 13.691 -29.481 -19.518 1.00 42.01 H new ATOM 0 HB3 GLU A 77 14.597 -30.957 -19.788 1.00 42.01 H new ATOM 0 HG2 GLU A 77 12.427 -29.902 -21.636 1.00 71.43 H new ATOM 0 HG3 GLU A 77 14.145 -29.639 -21.858 1.00 71.43 H new ATOM 1252 N TYR A 78 10.499 -30.856 -17.912 1.00 32.12 N ATOM 1253 CA TYR A 78 9.231 -30.213 -17.578 1.00 63.11 C ATOM 1254 C TYR A 78 9.490 -28.899 -16.840 1.00 24.43 C ATOM 1255 O TYR A 78 10.531 -28.742 -16.201 1.00 55.51 O ATOM 1256 CB TYR A 78 8.373 -31.156 -16.727 1.00 2.03 C ATOM 1257 CG TYR A 78 8.127 -32.492 -17.395 1.00 41.35 C ATOM 1258 CD1 TYR A 78 7.118 -32.621 -18.365 1.00 12.15 C ATOM 1259 CD2 TYR A 78 9.032 -33.547 -17.192 1.00 22.22 C ATOM 1260 CE1 TYR A 78 7.090 -33.748 -19.204 1.00 24.20 C ATOM 1261 CE2 TYR A 78 8.943 -34.710 -17.968 1.00 31.10 C ATOM 1262 CZ TYR A 78 8.031 -34.773 -19.033 1.00 45.22 C ATOM 1263 OH TYR A 78 8.061 -35.824 -19.900 1.00 13.32 O ATOM 0 H TYR A 78 10.790 -31.552 -17.226 1.00 32.12 H new ATOM 0 HA TYR A 78 8.688 -29.990 -18.497 1.00 63.11 H new ATOM 0 HB2 TYR A 78 8.864 -31.320 -15.768 1.00 2.03 H new ATOM 0 HB3 TYR A 78 7.416 -30.678 -16.517 1.00 2.03 H new ATOM 0 HD1 TYR A 78 6.364 -31.854 -18.466 1.00 12.15 H new ATOM 0 HD2 TYR A 78 9.798 -33.461 -16.436 1.00 22.22 H new ATOM 0 HE1 TYR A 78 6.343 -33.825 -19.981 1.00 24.20 H new ATOM 0 HE2 TYR A 78 9.575 -35.557 -17.747 1.00 31.10 H new ATOM 0 HH TYR A 78 7.390 -36.487 -19.634 1.00 13.32 H new ATOM 1273 N ALA A 79 8.550 -27.949 -16.940 1.00 22.50 N ATOM 1274 CA ALA A 79 8.723 -26.615 -16.381 1.00 62.23 C ATOM 1275 C ALA A 79 7.378 -25.930 -16.147 1.00 20.14 C ATOM 1276 O ALA A 79 6.517 -25.941 -17.026 1.00 41.42 O ATOM 1277 CB ALA A 79 9.574 -25.773 -17.337 1.00 25.23 C ATOM 0 H ALA A 79 7.655 -28.089 -17.409 1.00 22.50 H new ATOM 0 HA ALA A 79 9.224 -26.708 -15.417 1.00 62.23 H new ATOM 0 HB1 ALA A 79 9.706 -24.774 -16.922 1.00 25.23 H new ATOM 0 HB2 ALA A 79 10.549 -26.244 -17.467 1.00 25.23 H new ATOM 0 HB3 ALA A 79 9.074 -25.702 -18.303 1.00 25.23 H new ATOM 1283 N CYS A 80 7.228 -25.297 -14.975 1.00 55.23 N ATOM 1284 CA CYS A 80 6.084 -24.455 -14.656 1.00 61.12 C ATOM 1285 C CYS A 80 6.378 -23.017 -15.097 1.00 54.44 C ATOM 1286 O CYS A 80 7.441 -22.475 -14.799 1.00 54.24 O ATOM 1287 CB CYS A 80 5.763 -24.542 -13.161 1.00 73.45 C ATOM 1288 SG CYS A 80 4.147 -23.848 -12.715 1.00 55.11 S ATOM 0 H CYS A 80 7.909 -25.361 -14.219 1.00 55.23 H new ATOM 0 HA CYS A 80 5.203 -24.803 -15.195 1.00 61.12 H new ATOM 0 HB2 CYS A 80 5.797 -25.587 -12.852 1.00 73.45 H new ATOM 0 HB3 CYS A 80 6.539 -24.019 -12.602 1.00 73.45 H new ATOM 1293 N ARG A 81 5.435 -22.417 -15.829 1.00 74.14 N ATOM 1294 CA ARG A 81 5.520 -21.090 -16.417 1.00 3.21 C ATOM 1295 C ARG A 81 4.827 -20.148 -15.448 1.00 12.02 C ATOM 1296 O ARG A 81 3.628 -20.301 -15.238 1.00 40.52 O ATOM 1297 CB ARG A 81 4.764 -21.133 -17.750 1.00 22.31 C ATOM 1298 CG ARG A 81 4.642 -19.798 -18.491 1.00 74.31 C ATOM 1299 CD ARG A 81 5.998 -19.252 -18.934 1.00 2.44 C ATOM 1300 NE ARG A 81 5.818 -18.202 -19.946 1.00 52.41 N ATOM 1301 CZ ARG A 81 5.848 -18.369 -21.281 1.00 44.13 C ATOM 1302 NH1 ARG A 81 6.196 -19.538 -21.839 1.00 32.11 N ATOM 1303 NH2 ARG A 81 5.518 -17.341 -22.074 1.00 31.24 N ATOM 0 H ARG A 81 4.547 -22.874 -16.035 1.00 74.14 H new ATOM 0 HA ARG A 81 6.545 -20.764 -16.593 1.00 3.21 H new ATOM 0 HB2 ARG A 81 5.263 -21.847 -18.406 1.00 22.31 H new ATOM 0 HB3 ARG A 81 3.761 -21.517 -17.565 1.00 22.31 H new ATOM 0 HG2 ARG A 81 4.003 -19.927 -19.364 1.00 74.31 H new ATOM 0 HG3 ARG A 81 4.154 -19.069 -17.844 1.00 74.31 H new ATOM 0 HD2 ARG A 81 6.534 -18.850 -18.074 1.00 2.44 H new ATOM 0 HD3 ARG A 81 6.607 -20.059 -19.341 1.00 2.44 H new ATOM 0 HE ARG A 81 5.655 -17.255 -19.604 1.00 52.41 H new ATOM 0 HH11 ARG A 81 6.447 -20.330 -21.248 1.00 32.11 H new ATOM 0 HH12 ARG A 81 6.209 -19.634 -22.854 1.00 32.11 H new ATOM 0 HH21 ARG A 81 5.249 -16.447 -21.664 1.00 31.24 H new ATOM 0 HH22 ARG A 81 5.536 -17.453 -23.088 1.00 31.24 H new ATOM 1317 N VAL A 82 5.563 -19.216 -14.833 1.00 73.35 N ATOM 1318 CA VAL A 82 5.031 -18.395 -13.754 1.00 31.52 C ATOM 1319 C VAL A 82 5.082 -16.926 -14.175 1.00 52.04 C ATOM 1320 O VAL A 82 5.999 -16.197 -13.807 1.00 53.04 O ATOM 1321 CB VAL A 82 5.770 -18.708 -12.439 1.00 31.11 C ATOM 1322 CG1 VAL A 82 5.089 -18.000 -11.263 1.00 14.41 C ATOM 1323 CG2 VAL A 82 5.741 -20.216 -12.144 1.00 43.33 C ATOM 0 H VAL A 82 6.534 -19.015 -15.070 1.00 73.35 H new ATOM 0 HA VAL A 82 3.984 -18.626 -13.560 1.00 31.52 H new ATOM 0 HB VAL A 82 6.798 -18.364 -12.554 1.00 31.11 H new ATOM 0 HG11 VAL A 82 5.623 -18.231 -10.341 1.00 14.41 H new ATOM 0 HG12 VAL A 82 5.102 -16.923 -11.430 1.00 14.41 H new ATOM 0 HG13 VAL A 82 4.057 -18.342 -11.180 1.00 14.41 H new ATOM 0 HG21 VAL A 82 6.269 -20.414 -11.211 1.00 43.33 H new ATOM 0 HG22 VAL A 82 4.707 -20.549 -12.054 1.00 43.33 H new ATOM 0 HG23 VAL A 82 6.227 -20.755 -12.957 1.00 43.33 H new ATOM 1333 N ASN A 83 4.067 -16.500 -14.936 1.00 71.35 N ATOM 1334 CA ASN A 83 3.810 -15.098 -15.238 1.00 21.50 C ATOM 1335 C ASN A 83 2.760 -14.576 -14.258 1.00 14.30 C ATOM 1336 O ASN A 83 1.883 -15.322 -13.824 1.00 62.24 O ATOM 1337 CB ASN A 83 3.330 -14.941 -16.685 1.00 21.23 C ATOM 1338 CG ASN A 83 4.431 -15.270 -17.686 1.00 33.54 C ATOM 1339 OD1 ASN A 83 4.728 -16.438 -17.919 1.00 1.23 O ATOM 1340 ND2 ASN A 83 5.036 -14.244 -18.286 1.00 45.34 N ATOM 0 H ASN A 83 3.393 -17.135 -15.364 1.00 71.35 H new ATOM 0 HA ASN A 83 4.728 -14.520 -15.131 1.00 21.50 H new ATOM 0 HB2 ASN A 83 2.475 -15.595 -16.857 1.00 21.23 H new ATOM 0 HB3 ASN A 83 2.987 -13.919 -16.845 1.00 21.23 H new ATOM 0 HD21 ASN A 83 5.776 -14.416 -18.967 1.00 45.34 H new ATOM 0 HD22 ASN A 83 4.759 -13.288 -18.064 1.00 45.34 H new ATOM 1347 N HIS A 84 2.878 -13.295 -13.896 1.00 0.00 N ATOM 1348 CA HIS A 84 2.057 -12.630 -12.893 1.00 0.00 C ATOM 1349 C HIS A 84 2.157 -11.118 -13.121 1.00 0.00 C ATOM 1350 O HIS A 84 2.978 -10.672 -13.919 1.00 0.00 O ATOM 1351 CB HIS A 84 2.578 -13.031 -11.505 1.00 0.00 C ATOM 1352 CG HIS A 84 1.782 -12.495 -10.344 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.423 -11.921 -9.251 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.429 -12.444 -10.132 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.446 -11.560 -8.423 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.228 -11.819 -8.920 1.00 0.00 N ATOM 0 H HIS A 84 3.574 -12.675 -14.311 1.00 0.00 H new ATOM 0 HA HIS A 84 1.009 -12.921 -12.965 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.596 -14.119 -11.441 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.608 -12.689 -11.408 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.337 -12.823 -10.792 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.615 -11.108 -7.457 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.669 -11.598 -8.487 1.00 0.00 H new ATOM 1364 N VAL A 85 1.340 -10.318 -12.425 1.00 2.23 N ATOM 1365 CA VAL A 85 1.384 -8.865 -12.537 1.00 74.14 C ATOM 1366 C VAL A 85 2.687 -8.310 -11.937 1.00 12.33 C ATOM 1367 O VAL A 85 3.185 -7.296 -12.424 1.00 21.14 O ATOM 1368 CB VAL A 85 0.114 -8.222 -11.944 1.00 31.24 C ATOM 1369 CG1 VAL A 85 0.049 -6.723 -12.265 1.00 15.04 C ATOM 1370 CG2 VAL A 85 -1.161 -8.875 -12.498 1.00 72.31 C ATOM 0 H VAL A 85 0.635 -10.663 -11.773 1.00 2.23 H new ATOM 0 HA VAL A 85 1.392 -8.594 -13.593 1.00 74.14 H new ATOM 0 HB VAL A 85 0.169 -8.374 -10.866 1.00 31.24 H new ATOM 0 HG11 VAL A 85 -0.857 -6.298 -11.834 1.00 15.04 H new ATOM 0 HG12 VAL A 85 0.921 -6.223 -11.844 1.00 15.04 H new ATOM 0 HG13 VAL A 85 0.037 -6.583 -13.346 1.00 15.04 H new ATOM 0 HG21 VAL A 85 -2.036 -8.396 -12.058 1.00 72.31 H new ATOM 0 HG22 VAL A 85 -1.189 -8.757 -13.581 1.00 72.31 H new ATOM 0 HG23 VAL A 85 -1.164 -9.936 -12.249 1.00 72.31 H new ATOM 1380 N THR A 86 3.270 -8.976 -10.924 1.00 60.55 N ATOM 1381 CA THR A 86 4.553 -8.571 -10.355 1.00 21.32 C ATOM 1382 C THR A 86 5.707 -8.914 -11.304 1.00 42.33 C ATOM 1383 O THR A 86 6.581 -8.080 -11.532 1.00 1.01 O ATOM 1384 CB THR A 86 4.786 -9.200 -8.971 1.00 2.10 C ATOM 1385 OG1 THR A 86 4.900 -10.604 -9.052 1.00 13.00 O ATOM 1386 CG2 THR A 86 3.684 -8.823 -7.979 1.00 32.25 C ATOM 0 H THR A 86 2.863 -9.802 -10.485 1.00 60.55 H new ATOM 0 HA THR A 86 4.522 -7.489 -10.226 1.00 21.32 H new ATOM 0 HB THR A 86 5.729 -8.795 -8.603 1.00 2.10 H new ATOM 0 HG1 THR A 86 4.040 -10.987 -9.324 1.00 13.00 H new ATOM 0 HG21 THR A 86 3.888 -9.288 -7.015 1.00 32.25 H new ATOM 0 HG22 THR A 86 3.656 -7.740 -7.861 1.00 32.25 H new ATOM 0 HG23 THR A 86 2.722 -9.172 -8.354 1.00 32.25 H new ATOM 1394 N LEU A 87 5.724 -10.148 -11.831 1.00 24.35 N ATOM 1395 CA LEU A 87 6.830 -10.664 -12.626 1.00 11.33 C ATOM 1396 C LEU A 87 6.770 -10.130 -14.056 1.00 51.31 C ATOM 1397 O LEU A 87 7.731 -9.516 -14.514 1.00 40.35 O ATOM 1398 CB LEU A 87 6.818 -12.199 -12.624 1.00 33.24 C ATOM 1399 CG LEU A 87 7.008 -12.828 -11.234 1.00 53.33 C ATOM 1400 CD1 LEU A 87 6.886 -14.346 -11.381 1.00 53.25 C ATOM 1401 CD2 LEU A 87 8.370 -12.494 -10.610 1.00 34.44 C ATOM 0 H LEU A 87 4.961 -10.814 -11.712 1.00 24.35 H new ATOM 0 HA LEU A 87 7.762 -10.322 -12.176 1.00 11.33 H new ATOM 0 HB2 LEU A 87 5.872 -12.544 -13.041 1.00 33.24 H new ATOM 0 HB3 LEU A 87 7.607 -12.558 -13.284 1.00 33.24 H new ATOM 0 HG LEU A 87 6.245 -12.420 -10.571 1.00 53.33 H new ATOM 0 HD11 LEU A 87 7.017 -14.818 -10.407 1.00 53.25 H new ATOM 0 HD12 LEU A 87 5.901 -14.595 -11.775 1.00 53.25 H new ATOM 0 HD13 LEU A 87 7.653 -14.708 -12.066 1.00 53.25 H new ATOM 0 HD21 LEU A 87 8.447 -12.965 -9.630 1.00 34.44 H new ATOM 0 HD22 LEU A 87 9.167 -12.866 -11.255 1.00 34.44 H new ATOM 0 HD23 LEU A 87 8.465 -11.414 -10.502 1.00 34.44 H new ATOM 1413 N SER A 88 5.655 -10.393 -14.753 1.00 4.23 N ATOM 1414 CA SER A 88 5.378 -10.015 -16.137 1.00 73.55 C ATOM 1415 C SER A 88 6.122 -10.902 -17.140 1.00 41.41 C ATOM 1416 O SER A 88 5.516 -11.393 -18.090 1.00 3.20 O ATOM 1417 CB SER A 88 5.634 -8.520 -16.376 1.00 45.04 C ATOM 1418 OG SER A 88 5.093 -8.133 -17.621 1.00 61.31 O ATOM 0 H SER A 88 4.879 -10.907 -14.336 1.00 4.23 H new ATOM 0 HA SER A 88 4.315 -10.186 -16.310 1.00 73.55 H new ATOM 0 HB2 SER A 88 5.184 -7.933 -15.576 1.00 45.04 H new ATOM 0 HB3 SER A 88 6.705 -8.318 -16.356 1.00 45.04 H new ATOM 0 HG SER A 88 5.258 -7.178 -17.767 1.00 61.31 H new ATOM 1424 N GLN A 89 7.431 -11.092 -16.940 1.00 32.41 N ATOM 1425 CA GLN A 89 8.307 -11.842 -17.828 1.00 0.50 C ATOM 1426 C GLN A 89 8.078 -13.353 -17.681 1.00 33.23 C ATOM 1427 O GLN A 89 7.635 -13.802 -16.624 1.00 55.22 O ATOM 1428 CB GLN A 89 9.763 -11.479 -17.502 1.00 34.45 C ATOM 1429 CG GLN A 89 10.058 -10.016 -17.857 1.00 4.14 C ATOM 1430 CD GLN A 89 11.518 -9.641 -17.608 1.00 24.52 C ATOM 1431 OE1 GLN A 89 12.247 -10.355 -16.921 1.00 12.23 O ATOM 1432 NE2 GLN A 89 11.950 -8.512 -18.175 1.00 35.10 N ATOM 0 H GLN A 89 7.919 -10.713 -16.128 1.00 32.41 H new ATOM 0 HA GLN A 89 8.085 -11.580 -18.862 1.00 0.50 H new ATOM 0 HB2 GLN A 89 9.954 -11.645 -16.442 1.00 34.45 H new ATOM 0 HB3 GLN A 89 10.437 -12.134 -18.054 1.00 34.45 H new ATOM 0 HG2 GLN A 89 9.815 -9.843 -18.905 1.00 4.14 H new ATOM 0 HG3 GLN A 89 9.412 -9.364 -17.268 1.00 4.14 H new ATOM 0 HE21 GLN A 89 11.313 -7.948 -18.738 1.00 35.10 H new ATOM 0 HE22 GLN A 89 12.917 -8.214 -18.045 1.00 35.10 H new ATOM 1441 N PRO A 90 8.381 -14.147 -18.726 1.00 4.10 N ATOM 1442 CA PRO A 90 8.239 -15.598 -18.716 1.00 14.34 C ATOM 1443 C PRO A 90 9.278 -16.240 -17.794 1.00 13.11 C ATOM 1444 O PRO A 90 10.418 -16.469 -18.196 1.00 32.33 O ATOM 1445 CB PRO A 90 8.392 -16.027 -20.179 1.00 24.21 C ATOM 1446 CG PRO A 90 9.283 -14.944 -20.780 1.00 45.52 C ATOM 1447 CD PRO A 90 8.824 -13.692 -20.035 1.00 2.10 C ATOM 0 HA PRO A 90 7.276 -15.923 -18.321 1.00 14.34 H new ATOM 0 HB2 PRO A 90 8.849 -17.013 -20.262 1.00 24.21 H new ATOM 0 HB3 PRO A 90 7.428 -16.079 -20.684 1.00 24.21 H new ATOM 0 HG2 PRO A 90 10.341 -15.150 -20.615 1.00 45.52 H new ATOM 0 HG3 PRO A 90 9.140 -14.851 -21.857 1.00 45.52 H new ATOM 0 HD2 PRO A 90 9.637 -12.972 -19.944 1.00 2.10 H new ATOM 0 HD3 PRO A 90 8.015 -13.194 -20.570 1.00 2.10 H new ATOM 1455 N LYS A 91 8.868 -16.524 -16.550 1.00 15.50 N ATOM 1456 CA LYS A 91 9.715 -17.109 -15.523 1.00 23.44 C ATOM 1457 C LYS A 91 9.584 -18.630 -15.620 1.00 75.41 C ATOM 1458 O LYS A 91 8.666 -19.220 -15.050 1.00 14.53 O ATOM 1459 CB LYS A 91 9.308 -16.540 -14.152 1.00 20.34 C ATOM 1460 CG LYS A 91 10.389 -16.665 -13.070 1.00 5.12 C ATOM 1461 CD LYS A 91 10.692 -18.116 -12.680 1.00 41.02 C ATOM 1462 CE LYS A 91 11.536 -18.195 -11.403 1.00 12.24 C ATOM 1463 NZ LYS A 91 12.846 -17.539 -11.556 1.00 32.51 N ATOM 0 H LYS A 91 7.916 -16.346 -16.231 1.00 15.50 H new ATOM 0 HA LYS A 91 10.767 -16.858 -15.660 1.00 23.44 H new ATOM 0 HB2 LYS A 91 9.049 -15.488 -14.271 1.00 20.34 H new ATOM 0 HB3 LYS A 91 8.409 -17.053 -13.811 1.00 20.34 H new ATOM 0 HG2 LYS A 91 11.305 -16.193 -13.425 1.00 5.12 H new ATOM 0 HG3 LYS A 91 10.071 -16.117 -12.183 1.00 5.12 H new ATOM 0 HD2 LYS A 91 9.757 -18.656 -12.532 1.00 41.02 H new ATOM 0 HD3 LYS A 91 11.220 -18.610 -13.496 1.00 41.02 H new ATOM 0 HE2 LYS A 91 10.992 -17.728 -10.582 1.00 12.24 H new ATOM 0 HE3 LYS A 91 11.685 -19.240 -11.133 1.00 12.24 H new ATOM 0 HZ1 LYS A 91 13.400 -17.663 -10.685 1.00 32.51 H new ATOM 0 HZ2 LYS A 91 13.357 -17.966 -12.355 1.00 32.51 H new ATOM 0 HZ3 LYS A 91 12.707 -16.524 -11.737 1.00 32.51 H new ATOM 1477 N ILE A 92 10.505 -19.254 -16.365 1.00 75.42 N ATOM 1478 CA ILE A 92 10.524 -20.690 -16.604 1.00 61.43 C ATOM 1479 C ILE A 92 11.167 -21.374 -15.396 1.00 41.24 C ATOM 1480 O ILE A 92 12.391 -21.372 -15.261 1.00 3.33 O ATOM 1481 CB ILE A 92 11.284 -21.008 -17.910 1.00 2.35 C ATOM 1482 CG1 ILE A 92 10.846 -20.144 -19.108 1.00 34.24 C ATOM 1483 CG2 ILE A 92 11.152 -22.499 -18.251 1.00 44.05 C ATOM 1484 CD1 ILE A 92 9.346 -20.191 -19.403 1.00 12.30 C ATOM 0 H ILE A 92 11.270 -18.759 -16.824 1.00 75.42 H new ATOM 0 HA ILE A 92 9.508 -21.066 -16.726 1.00 61.43 H new ATOM 0 HB ILE A 92 12.329 -20.760 -17.723 1.00 2.35 H new ATOM 0 HG12 ILE A 92 11.135 -19.110 -18.920 1.00 34.24 H new ATOM 0 HG13 ILE A 92 11.389 -20.471 -19.995 1.00 34.24 H new ATOM 0 HG21 ILE A 92 11.692 -22.710 -19.174 1.00 44.05 H new ATOM 0 HG22 ILE A 92 11.570 -23.096 -17.441 1.00 44.05 H new ATOM 0 HG23 ILE A 92 10.099 -22.751 -18.381 1.00 44.05 H new ATOM 0 HD11 ILE A 92 9.124 -19.556 -20.260 1.00 12.30 H new ATOM 0 HD12 ILE A 92 9.051 -21.216 -19.625 1.00 12.30 H new ATOM 0 HD13 ILE A 92 8.793 -19.834 -18.534 1.00 12.30 H new ATOM 1496 N VAL A 93 10.342 -21.955 -14.516 1.00 14.53 N ATOM 1497 CA VAL A 93 10.818 -22.670 -13.341 1.00 21.41 C ATOM 1498 C VAL A 93 11.286 -24.057 -13.763 1.00 22.20 C ATOM 1499 O VAL A 93 10.636 -24.714 -14.572 1.00 45.22 O ATOM 1500 CB VAL A 93 9.731 -22.785 -12.263 1.00 41.41 C ATOM 1501 CG1 VAL A 93 10.341 -23.427 -11.009 1.00 52.22 C ATOM 1502 CG2 VAL A 93 9.156 -21.421 -11.891 1.00 32.34 C ATOM 0 H VAL A 93 9.326 -21.939 -14.605 1.00 14.53 H new ATOM 0 HA VAL A 93 11.645 -22.108 -12.907 1.00 21.41 H new ATOM 0 HB VAL A 93 8.921 -23.397 -12.661 1.00 41.41 H new ATOM 0 HG11 VAL A 93 9.577 -23.514 -10.236 1.00 52.22 H new ATOM 0 HG12 VAL A 93 10.721 -24.418 -11.256 1.00 52.22 H new ATOM 0 HG13 VAL A 93 11.158 -22.806 -10.643 1.00 52.22 H new ATOM 0 HG21 VAL A 93 8.390 -21.546 -11.125 1.00 32.34 H new ATOM 0 HG22 VAL A 93 9.952 -20.783 -11.507 1.00 32.34 H new ATOM 0 HG23 VAL A 93 8.715 -20.959 -12.774 1.00 32.34 H new ATOM 1512 N LYS A 94 12.414 -24.490 -13.199 1.00 33.44 N ATOM 1513 CA LYS A 94 13.034 -25.768 -13.493 1.00 2.55 C ATOM 1514 C LYS A 94 12.569 -26.769 -12.437 1.00 24.34 C ATOM 1515 O LYS A 94 13.041 -26.723 -11.302 1.00 54.21 O ATOM 1516 CB LYS A 94 14.557 -25.584 -13.516 1.00 13.31 C ATOM 1517 CG LYS A 94 14.948 -24.592 -14.622 1.00 32.35 C ATOM 1518 CD LYS A 94 16.460 -24.343 -14.644 1.00 12.44 C ATOM 1519 CE LYS A 94 16.856 -23.421 -15.804 1.00 43.35 C ATOM 1520 NZ LYS A 94 16.157 -22.125 -15.748 1.00 60.41 N ATOM 0 H LYS A 94 12.929 -23.943 -12.509 1.00 33.44 H new ATOM 0 HA LYS A 94 12.744 -26.153 -14.471 1.00 2.55 H new ATOM 0 HB2 LYS A 94 14.902 -25.218 -12.549 1.00 13.31 H new ATOM 0 HB3 LYS A 94 15.045 -26.543 -13.687 1.00 13.31 H new ATOM 0 HG2 LYS A 94 14.628 -24.979 -15.589 1.00 32.35 H new ATOM 0 HG3 LYS A 94 14.425 -23.648 -14.467 1.00 32.35 H new ATOM 0 HD2 LYS A 94 16.771 -23.897 -13.699 1.00 12.44 H new ATOM 0 HD3 LYS A 94 16.986 -25.293 -14.736 1.00 12.44 H new ATOM 0 HE2 LYS A 94 17.933 -23.253 -15.781 1.00 43.35 H new ATOM 0 HE3 LYS A 94 16.631 -23.913 -16.750 1.00 43.35 H new ATOM 0 HZ1 LYS A 94 16.575 -21.475 -16.444 1.00 60.41 H new ATOM 0 HZ2 LYS A 94 15.150 -22.264 -15.965 1.00 60.41 H new ATOM 0 HZ3 LYS A 94 16.253 -21.720 -14.795 1.00 60.41 H new ATOM 1534 N TRP A 95 11.625 -27.644 -12.816 1.00 71.32 N ATOM 1535 CA TRP A 95 11.059 -28.687 -11.973 1.00 42.45 C ATOM 1536 C TRP A 95 12.154 -29.448 -11.225 1.00 44.02 C ATOM 1537 O TRP A 95 13.093 -29.964 -11.831 1.00 13.41 O ATOM 1538 CB TRP A 95 10.228 -29.650 -12.830 1.00 31.32 C ATOM 1539 CG TRP A 95 9.856 -30.949 -12.177 1.00 12.40 C ATOM 1540 CD1 TRP A 95 9.309 -31.100 -10.950 1.00 1.03 C ATOM 1541 CD2 TRP A 95 10.073 -32.299 -12.678 1.00 3.34 C ATOM 1542 NE1 TRP A 95 9.182 -32.440 -10.651 1.00 31.42 N ATOM 1543 CE2 TRP A 95 9.650 -33.227 -11.683 1.00 42.31 C ATOM 1544 CE3 TRP A 95 10.605 -32.832 -13.870 1.00 1.21 C ATOM 1545 CZ2 TRP A 95 9.756 -34.615 -11.860 1.00 12.03 C ATOM 1546 CZ3 TRP A 95 10.722 -34.224 -14.054 1.00 74.12 C ATOM 1547 CH2 TRP A 95 10.285 -35.115 -13.059 1.00 12.00 C ATOM 0 H TRP A 95 11.226 -27.637 -13.755 1.00 71.32 H new ATOM 0 HA TRP A 95 10.414 -28.218 -11.230 1.00 42.45 H new ATOM 0 HB2 TRP A 95 9.312 -29.141 -13.131 1.00 31.32 H new ATOM 0 HB3 TRP A 95 10.785 -29.869 -13.741 1.00 31.32 H new ATOM 0 HD1 TRP A 95 9.015 -30.290 -10.299 1.00 1.03 H new ATOM 0 HE1 TRP A 95 8.793 -32.802 -9.780 1.00 31.42 H new ATOM 0 HE3 TRP A 95 10.928 -32.163 -14.654 1.00 1.21 H new ATOM 0 HZ2 TRP A 95 9.434 -35.291 -11.082 1.00 12.03 H new ATOM 0 HZ3 TRP A 95 11.151 -34.609 -14.967 1.00 74.12 H new ATOM 0 HH2 TRP A 95 10.356 -36.181 -13.217 1.00 12.00 H new ATOM 1558 N ASP A 96 12.004 -29.506 -9.900 1.00 24.32 N ATOM 1559 CA ASP A 96 12.943 -30.127 -8.982 1.00 43.12 C ATOM 1560 C ASP A 96 12.686 -31.634 -8.918 1.00 5.30 C ATOM 1561 O ASP A 96 12.154 -32.140 -7.931 1.00 12.12 O ATOM 1562 CB ASP A 96 12.818 -29.455 -7.608 1.00 40.52 C ATOM 1563 CG ASP A 96 13.088 -27.953 -7.695 1.00 32.24 C ATOM 1564 OD1 ASP A 96 12.095 -27.195 -7.761 1.00 33.22 O ATOM 1565 OD2 ASP A 96 14.284 -27.587 -7.706 1.00 51.33 O ATOM 0 H ASP A 96 11.194 -29.106 -9.426 1.00 24.32 H new ATOM 0 HA ASP A 96 13.967 -29.990 -9.331 1.00 43.12 H new ATOM 0 HB2 ASP A 96 11.818 -29.624 -7.208 1.00 40.52 H new ATOM 0 HB3 ASP A 96 13.521 -29.913 -6.912 1.00 40.52 H new ATOM 1570 N ARG A 97 13.089 -32.350 -9.975 1.00 43.23 N ATOM 1571 CA ARG A 97 13.067 -33.807 -10.019 1.00 13.42 C ATOM 1572 C ARG A 97 14.146 -34.429 -9.131 1.00 45.24 C ATOM 1573 O ARG A 97 13.964 -35.539 -8.635 1.00 34.41 O ATOM 1574 CB ARG A 97 13.151 -34.315 -11.464 1.00 11.30 C ATOM 1575 CG ARG A 97 14.535 -34.321 -12.125 1.00 54.55 C ATOM 1576 CD ARG A 97 15.104 -32.918 -12.343 1.00 12.12 C ATOM 1577 NE ARG A 97 16.314 -32.974 -13.168 1.00 72.43 N ATOM 1578 CZ ARG A 97 17.125 -31.932 -13.412 1.00 14.43 C ATOM 1579 NH1 ARG A 97 16.885 -30.729 -12.868 1.00 2.24 N ATOM 1580 NH2 ARG A 97 18.187 -32.099 -14.212 1.00 41.22 N ATOM 0 H ARG A 97 13.443 -31.923 -10.831 1.00 43.23 H new ATOM 0 HA ARG A 97 12.110 -34.130 -9.610 1.00 13.42 H new ATOM 0 HB2 ARG A 97 12.761 -35.332 -11.488 1.00 11.30 H new ATOM 0 HB3 ARG A 97 12.487 -33.705 -12.076 1.00 11.30 H new ATOM 0 HG2 ARG A 97 15.224 -34.893 -11.505 1.00 54.55 H new ATOM 0 HG3 ARG A 97 14.470 -34.833 -13.085 1.00 54.55 H new ATOM 0 HD2 ARG A 97 14.357 -32.288 -12.826 1.00 12.12 H new ATOM 0 HD3 ARG A 97 15.334 -32.460 -11.381 1.00 12.12 H new ATOM 0 HE ARG A 97 16.558 -33.871 -13.588 1.00 72.43 H new ATOM 0 HH11 ARG A 97 16.077 -30.596 -12.260 1.00 2.24 H new ATOM 0 HH12 ARG A 97 17.510 -29.947 -13.063 1.00 2.24 H new ATOM 0 HH21 ARG A 97 18.373 -33.011 -14.629 1.00 41.22 H new ATOM 0 HH22 ARG A 97 18.809 -31.314 -14.404 1.00 41.22 H new