USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 980 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 Single : A 1 GLY N :NH3+ -144:sc= 0.021 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 163:sc= -0.101 (180deg=-0.578) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.483 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.884 K(o=0.88,f=-3!) USER MOD Single : A 35 THR OG1 : rot 9:sc= -0.0472 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.094) USER MOD Single : A 45 HIS : no HE2:sc= -0.195 X(o=-0.2,f=-0.67) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 48 GLN : amide:sc= -0.0556 K(o=-0.056,f=-2!) USER MOD Single : A 55 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.28) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.43) USER MOD Single : A 67 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 71 THR OG1 : rot -48:sc= -1.13! USER MOD Single : A 73 ASN : amide:sc= -0.0227 K(o=-0.023,f=-4.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00503 USER MOD Single : A 81 MET CE :methyl 167:sc= -0.305 (180deg=-1.01) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 99 LYS NZ :NH3+ -109:sc= 1.71 (180deg=0.981) USER MOD Single : A 105 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0338 USER MOD Single : A 115 THR OG1 : rot -74:sc= 0.387 USER MOD Single : A 116 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.266 -9.053 -2.064 1.00 9.84 N ATOM 2 CA GLY A 1 -30.105 -9.885 -2.463 1.00 9.33 C ATOM 3 C GLY A 1 -30.177 -11.270 -1.857 1.00 8.55 C ATOM 4 O GLY A 1 -31.263 -11.829 -1.709 1.00 8.34 O ATOM 0 H1 GLY A 1 -31.543 -8.440 -2.857 1.00 9.84 H new ATOM 0 H2 GLY A 1 -32.063 -9.670 -1.808 1.00 9.84 H new ATOM 0 H3 GLY A 1 -31.007 -8.465 -1.246 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -30.070 -9.964 -3.550 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -29.182 -9.397 -2.149 1.00 9.33 H new ATOM 10 N ALA A 2 -29.031 -11.823 -1.492 1.00 8.39 N ATOM 11 CA ALA A 2 -28.988 -13.139 -0.867 1.00 7.95 C ATOM 12 C ALA A 2 -28.176 -13.087 0.419 1.00 7.24 C ATOM 13 O ALA A 2 -27.579 -14.083 0.833 1.00 7.25 O ATOM 14 CB ALA A 2 -28.415 -14.169 -1.830 1.00 8.62 C ATOM 0 H ALA A 2 -28.119 -11.383 -1.617 1.00 8.39 H new ATOM 0 HA ALA A 2 -30.005 -13.440 -0.617 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -28.391 -15.145 -1.346 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -29.040 -14.221 -2.721 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -27.403 -13.879 -2.113 1.00 8.62 H new ATOM 20 N MET A 3 -28.165 -11.907 1.040 1.00 6.97 N ATOM 21 CA MET A 3 -27.398 -11.662 2.262 1.00 6.66 C ATOM 22 C MET A 3 -25.921 -11.949 2.034 1.00 5.89 C ATOM 23 O MET A 3 -25.231 -12.477 2.907 1.00 5.94 O ATOM 24 CB MET A 3 -27.933 -12.507 3.427 1.00 7.35 C ATOM 25 CG MET A 3 -29.363 -12.170 3.823 1.00 8.09 C ATOM 26 SD MET A 3 -29.571 -10.434 4.263 1.00 8.78 S ATOM 27 CE MET A 3 -31.296 -10.423 4.746 1.00 9.31 C ATOM 0 H MET A 3 -28.687 -11.095 0.711 1.00 6.97 H new ATOM 0 HA MET A 3 -27.512 -10.610 2.524 1.00 6.66 H new ATOM 0 HB2 MET A 3 -27.880 -13.561 3.154 1.00 7.35 H new ATOM 0 HB3 MET A 3 -27.284 -12.369 4.292 1.00 7.35 H new ATOM 0 HG2 MET A 3 -30.032 -12.414 2.998 1.00 8.09 H new ATOM 0 HG3 MET A 3 -29.658 -12.793 4.667 1.00 8.09 H new ATOM 0 HE1 MET A 3 -31.583 -9.416 5.048 1.00 9.31 H new ATOM 0 HE2 MET A 3 -31.912 -10.739 3.904 1.00 9.31 H new ATOM 0 HE3 MET A 3 -31.444 -11.108 5.581 1.00 9.31 H new ATOM 37 N GLY A 4 -25.442 -11.597 0.851 1.00 5.55 N ATOM 38 CA GLY A 4 -24.064 -11.848 0.507 1.00 5.17 C ATOM 39 C GLY A 4 -23.465 -10.718 -0.300 1.00 4.35 C ATOM 40 O GLY A 4 -23.614 -10.675 -1.522 1.00 4.64 O ATOM 0 H GLY A 4 -25.989 -11.140 0.121 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -23.483 -11.990 1.418 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -23.996 -12.775 -0.062 1.00 5.17 H new ATOM 44 N MET A 5 -22.813 -9.788 0.381 1.00 3.80 N ATOM 45 CA MET A 5 -22.161 -8.672 -0.292 1.00 3.46 C ATOM 46 C MET A 5 -20.773 -8.429 0.287 1.00 2.69 C ATOM 47 O MET A 5 -20.051 -7.541 -0.165 1.00 3.15 O ATOM 48 CB MET A 5 -23.004 -7.399 -0.170 1.00 4.10 C ATOM 49 CG MET A 5 -23.148 -6.895 1.257 1.00 4.56 C ATOM 50 SD MET A 5 -24.081 -5.357 1.366 1.00 5.55 S ATOM 51 CE MET A 5 -25.672 -5.886 0.733 1.00 6.19 C ATOM 0 H MET A 5 -22.721 -9.783 1.397 1.00 3.80 H new ATOM 0 HA MET A 5 -22.062 -8.929 -1.347 1.00 3.46 H new ATOM 0 HB2 MET A 5 -22.553 -6.615 -0.779 1.00 4.10 H new ATOM 0 HB3 MET A 5 -23.996 -7.590 -0.580 1.00 4.10 H new ATOM 0 HG2 MET A 5 -23.643 -7.658 1.858 1.00 4.56 H new ATOM 0 HG3 MET A 5 -22.157 -6.744 1.686 1.00 4.56 H new ATOM 0 HE1 MET A 5 -26.434 -5.157 1.009 1.00 6.19 H new ATOM 0 HE2 MET A 5 -25.623 -5.966 -0.353 1.00 6.19 H new ATOM 0 HE3 MET A 5 -25.928 -6.857 1.157 1.00 6.19 H new ATOM 61 N SER A 6 -20.398 -9.225 1.282 1.00 2.04 N ATOM 62 CA SER A 6 -19.104 -9.072 1.934 1.00 1.62 C ATOM 63 C SER A 6 -17.951 -9.299 0.941 1.00 1.22 C ATOM 64 O SER A 6 -17.062 -8.450 0.828 1.00 1.33 O ATOM 65 CB SER A 6 -18.995 -10.016 3.139 1.00 2.15 C ATOM 66 OG SER A 6 -17.804 -9.786 3.872 1.00 2.78 O ATOM 0 H SER A 6 -20.972 -9.982 1.654 1.00 2.04 H new ATOM 0 HA SER A 6 -19.024 -8.047 2.297 1.00 1.62 H new ATOM 0 HB2 SER A 6 -19.857 -9.877 3.791 1.00 2.15 H new ATOM 0 HB3 SER A 6 -19.018 -11.050 2.796 1.00 2.15 H new ATOM 0 HG SER A 6 -17.765 -10.401 4.634 1.00 2.78 H new ATOM 72 N PRO A 7 -17.941 -10.426 0.185 1.00 1.00 N ATOM 73 CA PRO A 7 -16.907 -10.667 -0.825 1.00 0.92 C ATOM 74 C PRO A 7 -16.987 -9.666 -1.974 1.00 0.83 C ATOM 75 O PRO A 7 -16.028 -9.480 -2.717 1.00 0.81 O ATOM 76 CB PRO A 7 -17.198 -12.085 -1.323 1.00 1.15 C ATOM 77 CG PRO A 7 -18.633 -12.317 -1.001 1.00 1.35 C ATOM 78 CD PRO A 7 -18.899 -11.547 0.259 1.00 1.22 C ATOM 0 HA PRO A 7 -15.904 -10.555 -0.413 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.014 -12.173 -2.394 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -16.559 -12.816 -0.828 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -19.276 -11.974 -1.812 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -18.836 -13.379 -0.861 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -19.929 -11.193 0.303 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -18.734 -12.159 1.146 1.00 1.22 H new ATOM 86 N ASP A 8 -18.134 -9.005 -2.093 1.00 0.81 N ATOM 87 CA ASP A 8 -18.337 -8.009 -3.141 1.00 0.80 C ATOM 88 C ASP A 8 -17.618 -6.716 -2.800 1.00 0.67 C ATOM 89 O ASP A 8 -17.013 -6.097 -3.663 1.00 0.67 O ATOM 90 CB ASP A 8 -19.824 -7.728 -3.377 1.00 0.91 C ATOM 91 CG ASP A 8 -20.467 -8.737 -4.302 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.453 -8.516 -5.534 1.00 2.05 O ATOM 93 OD2 ASP A 8 -20.990 -9.756 -3.809 1.00 2.18 O ATOM 0 H ASP A 8 -18.936 -9.140 -1.478 1.00 0.81 H new ATOM 0 HA ASP A 8 -17.919 -8.420 -4.060 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.347 -7.732 -2.421 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -19.939 -6.729 -3.799 1.00 0.91 H new ATOM 98 N THR A 9 -17.677 -6.311 -1.539 1.00 0.62 N ATOM 99 CA THR A 9 -16.967 -5.123 -1.090 1.00 0.58 C ATOM 100 C THR A 9 -15.463 -5.336 -1.206 1.00 0.49 C ATOM 101 O THR A 9 -14.731 -4.467 -1.682 1.00 0.46 O ATOM 102 CB THR A 9 -17.342 -4.781 0.362 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.761 -4.615 0.456 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.645 -3.511 0.826 1.00 0.72 C ATOM 0 H THR A 9 -18.209 -6.787 -0.810 1.00 0.62 H new ATOM 0 HA THR A 9 -17.258 -4.287 -1.727 1.00 0.58 H new ATOM 0 HB THR A 9 -17.017 -5.599 1.006 1.00 0.64 H new ATOM 0 HG1 THR A 9 -19.201 -5.480 0.323 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.930 -3.295 1.856 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.565 -3.647 0.769 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.940 -2.679 0.186 1.00 0.72 H new ATOM 112 N ALA A 10 -15.023 -6.519 -0.803 1.00 0.51 N ATOM 113 CA ALA A 10 -13.620 -6.884 -0.880 1.00 0.50 C ATOM 114 C ALA A 10 -13.145 -6.909 -2.331 1.00 0.48 C ATOM 115 O ALA A 10 -12.064 -6.419 -2.651 1.00 0.45 O ATOM 116 CB ALA A 10 -13.396 -8.233 -0.222 1.00 0.60 C ATOM 0 H ALA A 10 -15.625 -7.246 -0.417 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.037 -6.133 -0.347 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.341 -8.498 -0.285 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.695 -8.181 0.825 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.991 -8.990 -0.733 1.00 0.60 H new ATOM 122 N ARG A 11 -13.976 -7.469 -3.203 1.00 0.54 N ATOM 123 CA ARG A 11 -13.650 -7.595 -4.622 1.00 0.59 C ATOM 124 C ARG A 11 -13.673 -6.236 -5.321 1.00 0.52 C ATOM 125 O ARG A 11 -12.848 -5.960 -6.189 1.00 0.52 O ATOM 126 CB ARG A 11 -14.627 -8.556 -5.299 1.00 0.74 C ATOM 127 CG ARG A 11 -14.312 -8.837 -6.758 1.00 1.02 C ATOM 128 CD ARG A 11 -15.281 -9.853 -7.335 1.00 1.21 C ATOM 129 NE ARG A 11 -14.982 -10.175 -8.727 1.00 1.97 N ATOM 130 CZ ARG A 11 -15.720 -10.997 -9.467 1.00 2.53 C ATOM 131 NH1 ARG A 11 -16.802 -11.567 -8.952 1.00 2.44 N ATOM 132 NH2 ARG A 11 -15.388 -11.242 -10.727 1.00 3.56 N ATOM 0 H ARG A 11 -14.889 -7.847 -2.950 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.639 -7.994 -4.703 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.631 -9.498 -4.751 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.633 -8.143 -5.229 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.366 -7.911 -7.331 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.292 -9.209 -6.849 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.247 -10.764 -6.738 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.297 -9.464 -7.264 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.162 -9.746 -9.156 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -17.069 -11.375 -7.987 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -17.367 -12.197 -9.522 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -14.563 -10.799 -11.132 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -15.957 -11.873 -11.291 1.00 3.56 H new ATOM 146 N ARG A 12 -14.624 -5.391 -4.940 1.00 0.51 N ATOM 147 CA ARG A 12 -14.743 -4.056 -5.519 1.00 0.51 C ATOM 148 C ARG A 12 -13.519 -3.214 -5.184 1.00 0.42 C ATOM 149 O ARG A 12 -13.008 -2.484 -6.031 1.00 0.41 O ATOM 150 CB ARG A 12 -16.026 -3.369 -5.038 1.00 0.57 C ATOM 151 CG ARG A 12 -17.276 -3.870 -5.748 1.00 1.31 C ATOM 152 CD ARG A 12 -18.550 -3.268 -5.170 1.00 1.38 C ATOM 153 NE ARG A 12 -18.824 -3.741 -3.812 1.00 2.05 N ATOM 154 CZ ARG A 12 -20.017 -3.653 -3.219 1.00 2.50 C ATOM 155 NH1 ARG A 12 -21.050 -3.140 -3.874 1.00 2.39 N ATOM 156 NH2 ARG A 12 -20.180 -4.076 -1.970 1.00 3.49 N ATOM 0 H ARG A 12 -15.325 -5.606 -4.231 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.799 -4.157 -6.603 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.136 -3.529 -3.965 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.935 -2.294 -5.192 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -17.211 -3.627 -6.809 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -17.323 -4.956 -5.672 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -18.465 -2.181 -5.163 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -19.392 -3.517 -5.816 1.00 1.38 H new ATOM 0 HE ARG A 12 -18.058 -4.163 -3.287 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -20.934 -2.812 -4.833 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -21.960 -3.074 -3.419 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -19.391 -4.471 -1.458 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -21.094 -4.006 -1.523 1.00 3.49 H new ATOM 170 N PHE A 13 -13.038 -3.333 -3.955 1.00 0.40 N ATOM 171 CA PHE A 13 -11.804 -2.670 -3.552 1.00 0.37 C ATOM 172 C PHE A 13 -10.627 -3.260 -4.328 1.00 0.33 C ATOM 173 O PHE A 13 -9.741 -2.537 -4.789 1.00 0.33 O ATOM 174 CB PHE A 13 -11.592 -2.826 -2.039 1.00 0.41 C ATOM 175 CG PHE A 13 -10.324 -2.203 -1.517 1.00 0.41 C ATOM 176 CD1 PHE A 13 -10.275 -0.854 -1.197 1.00 0.43 C ATOM 177 CD2 PHE A 13 -9.184 -2.970 -1.336 1.00 0.46 C ATOM 178 CE1 PHE A 13 -9.112 -0.285 -0.712 1.00 0.48 C ATOM 179 CE2 PHE A 13 -8.020 -2.407 -0.852 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.984 -1.063 -0.540 1.00 0.50 C ATOM 0 H PHE A 13 -13.482 -3.882 -3.219 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.874 -1.606 -3.779 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.441 -2.382 -1.519 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.588 -3.888 -1.793 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -11.155 -0.242 -1.328 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -9.206 -4.023 -1.577 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -9.086 0.767 -0.468 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -7.139 -3.017 -0.718 1.00 0.51 H new ATOM 0 HZ PHE A 13 -7.075 -0.620 -0.162 1.00 0.50 H new ATOM 190 N ASP A 14 -10.660 -4.577 -4.488 1.00 0.35 N ATOM 191 CA ASP A 14 -9.621 -5.325 -5.194 1.00 0.37 C ATOM 192 C ASP A 14 -9.495 -4.891 -6.655 1.00 0.34 C ATOM 193 O ASP A 14 -8.393 -4.821 -7.193 1.00 0.37 O ATOM 194 CB ASP A 14 -9.940 -6.824 -5.113 1.00 0.47 C ATOM 195 CG ASP A 14 -9.008 -7.691 -5.936 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.966 -8.125 -5.403 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.291 -7.907 -7.131 1.00 0.65 O ATOM 0 H ASP A 14 -11.414 -5.163 -4.129 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.665 -5.118 -4.714 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.891 -7.141 -4.071 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.964 -6.987 -5.448 1.00 0.47 H new ATOM 202 N THR A 15 -10.619 -4.580 -7.283 1.00 0.33 N ATOM 203 CA THR A 15 -10.618 -4.260 -8.704 1.00 0.34 C ATOM 204 C THR A 15 -10.544 -2.750 -8.961 1.00 0.33 C ATOM 205 O THR A 15 -9.865 -2.310 -9.889 1.00 0.37 O ATOM 206 CB THR A 15 -11.849 -4.861 -9.436 1.00 0.39 C ATOM 207 OG1 THR A 15 -11.750 -4.629 -10.850 1.00 1.51 O ATOM 208 CG2 THR A 15 -13.158 -4.278 -8.923 1.00 1.34 C ATOM 0 H THR A 15 -11.536 -4.542 -6.837 1.00 0.33 H new ATOM 0 HA THR A 15 -9.716 -4.717 -9.111 1.00 0.34 H new ATOM 0 HB THR A 15 -11.851 -5.932 -9.234 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.531 -5.014 -11.300 1.00 1.51 H new ATOM 0 HG21 THR A 15 -13.992 -4.726 -9.463 1.00 1.34 H new ATOM 0 HG22 THR A 15 -13.258 -4.490 -7.859 1.00 1.34 H new ATOM 0 HG23 THR A 15 -13.162 -3.199 -9.080 1.00 1.34 H new ATOM 216 N GLU A 16 -11.221 -1.954 -8.143 1.00 0.33 N ATOM 217 CA GLU A 16 -11.353 -0.531 -8.425 1.00 0.39 C ATOM 218 C GLU A 16 -10.266 0.301 -7.739 1.00 0.37 C ATOM 219 O GLU A 16 -9.732 1.237 -8.326 1.00 0.46 O ATOM 220 CB GLU A 16 -12.734 -0.036 -7.986 1.00 0.48 C ATOM 221 CG GLU A 16 -13.151 1.269 -8.644 1.00 0.60 C ATOM 222 CD GLU A 16 -13.568 1.082 -10.090 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.680 0.957 -10.956 1.00 1.81 O ATOM 224 OE2 GLU A 16 -14.787 1.068 -10.374 1.00 1.27 O ATOM 0 H GLU A 16 -11.682 -2.265 -7.288 1.00 0.33 H new ATOM 0 HA GLU A 16 -11.236 -0.403 -9.501 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.475 -0.802 -8.216 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.736 0.096 -6.904 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.978 1.707 -8.084 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -12.324 1.977 -8.596 1.00 0.60 H new ATOM 231 N PHE A 17 -9.926 -0.040 -6.508 1.00 0.31 N ATOM 232 CA PHE A 17 -9.048 0.818 -5.718 1.00 0.32 C ATOM 233 C PHE A 17 -7.617 0.289 -5.653 1.00 0.30 C ATOM 234 O PHE A 17 -6.672 1.027 -5.935 1.00 0.33 O ATOM 235 CB PHE A 17 -9.616 1.002 -4.306 1.00 0.37 C ATOM 236 CG PHE A 17 -10.879 1.827 -4.267 1.00 0.42 C ATOM 237 CD1 PHE A 17 -12.127 1.236 -4.435 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.818 3.197 -4.065 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.280 1.997 -4.402 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.969 3.960 -4.032 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.200 3.360 -4.199 1.00 0.57 C ATOM 0 H PHE A 17 -10.236 -0.890 -6.036 1.00 0.31 H new ATOM 0 HA PHE A 17 -9.007 1.785 -6.220 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.818 0.022 -3.874 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.862 1.477 -3.679 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -12.196 0.170 -4.593 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.858 3.674 -3.932 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -14.243 1.526 -4.535 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.905 5.027 -3.875 1.00 0.72 H new ATOM 0 HZ PHE A 17 -14.100 3.956 -4.171 1.00 0.57 H new ATOM 251 N ALA A 18 -7.461 -0.985 -5.310 1.00 0.29 N ATOM 252 CA ALA A 18 -6.138 -1.561 -5.065 1.00 0.30 C ATOM 253 C ALA A 18 -5.162 -1.387 -6.244 1.00 0.29 C ATOM 254 O ALA A 18 -4.022 -0.975 -6.025 1.00 0.30 O ATOM 255 CB ALA A 18 -6.258 -3.026 -4.674 1.00 0.32 C ATOM 0 H ALA A 18 -8.233 -1.641 -5.195 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.709 -1.000 -4.235 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.265 -3.438 -4.496 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.855 -3.113 -3.766 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.741 -3.579 -5.480 1.00 0.32 H new ATOM 261 N PRO A 19 -5.565 -1.687 -7.506 1.00 0.30 N ATOM 262 CA PRO A 19 -4.675 -1.522 -8.667 1.00 0.32 C ATOM 263 C PRO A 19 -4.191 -0.084 -8.829 1.00 0.31 C ATOM 264 O PRO A 19 -3.051 0.157 -9.226 1.00 0.32 O ATOM 265 CB PRO A 19 -5.549 -1.923 -9.860 1.00 0.37 C ATOM 266 CG PRO A 19 -6.594 -2.798 -9.273 1.00 0.35 C ATOM 267 CD PRO A 19 -6.876 -2.227 -7.915 1.00 0.31 C ATOM 0 HA PRO A 19 -3.770 -2.122 -8.566 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.987 -1.050 -10.343 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.969 -2.450 -10.618 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.492 -2.805 -9.890 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.248 -3.829 -9.201 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.639 -1.449 -7.954 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.233 -2.989 -7.222 1.00 0.31 H new ATOM 275 N ARG A 20 -5.052 0.868 -8.489 1.00 0.32 N ATOM 276 CA ARG A 20 -4.717 2.278 -8.639 1.00 0.35 C ATOM 277 C ARG A 20 -3.710 2.699 -7.581 1.00 0.30 C ATOM 278 O ARG A 20 -2.847 3.541 -7.831 1.00 0.31 O ATOM 279 CB ARG A 20 -5.970 3.161 -8.573 1.00 0.43 C ATOM 280 CG ARG A 20 -6.730 3.256 -9.891 1.00 1.07 C ATOM 281 CD ARG A 20 -7.336 1.924 -10.306 1.00 1.40 C ATOM 282 NE ARG A 20 -7.922 1.981 -11.645 1.00 1.95 N ATOM 283 CZ ARG A 20 -9.213 1.775 -11.910 1.00 2.73 C ATOM 284 NH1 ARG A 20 -10.073 1.555 -10.926 1.00 3.15 N ATOM 285 NH2 ARG A 20 -9.645 1.803 -13.163 1.00 3.58 N ATOM 0 H ARG A 20 -5.982 0.690 -8.110 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.268 2.413 -9.623 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.639 2.769 -7.807 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.680 4.164 -8.259 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -7.522 4.000 -9.798 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -6.055 3.605 -10.673 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -6.567 1.152 -10.280 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -8.103 1.635 -9.587 1.00 1.40 H new ATOM 0 HE ARG A 20 -7.303 2.192 -12.428 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -9.749 1.542 -9.959 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -11.059 1.398 -11.136 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -8.990 1.982 -13.924 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -10.632 1.645 -13.366 1.00 3.58 H new ATOM 299 N ILE A 21 -3.811 2.095 -6.404 1.00 0.28 N ATOM 300 CA ILE A 21 -2.858 2.347 -5.334 1.00 0.28 C ATOM 301 C ILE A 21 -1.488 1.808 -5.722 1.00 0.24 C ATOM 302 O ILE A 21 -0.479 2.506 -5.619 1.00 0.25 O ATOM 303 CB ILE A 21 -3.302 1.685 -4.007 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.670 2.219 -3.575 1.00 0.35 C ATOM 305 CG2 ILE A 21 -2.266 1.927 -2.913 1.00 0.33 C ATOM 306 CD1 ILE A 21 -5.244 1.534 -2.347 1.00 0.38 C ATOM 0 H ILE A 21 -4.544 1.427 -6.167 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.811 3.426 -5.184 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.385 0.610 -4.170 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.584 3.287 -3.375 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.370 2.105 -4.402 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.596 1.454 -1.988 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -1.310 1.501 -3.217 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -2.151 2.999 -2.751 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -6.214 1.970 -2.107 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -5.364 0.469 -2.547 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.566 1.670 -1.504 1.00 0.38 H new ATOM 318 N ALA A 22 -1.473 0.570 -6.200 1.00 0.23 N ATOM 319 CA ALA A 22 -0.238 -0.111 -6.559 1.00 0.23 C ATOM 320 C ALA A 22 0.542 0.650 -7.624 1.00 0.24 C ATOM 321 O ALA A 22 1.753 0.845 -7.497 1.00 0.28 O ATOM 322 CB ALA A 22 -0.544 -1.522 -7.037 1.00 0.25 C ATOM 0 H ALA A 22 -2.314 0.012 -6.349 1.00 0.23 H new ATOM 0 HA ALA A 22 0.388 -0.157 -5.668 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.385 -2.025 -7.304 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -1.041 -2.076 -6.241 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.196 -1.477 -7.909 1.00 0.25 H new ATOM 328 N ARG A 23 -0.151 1.087 -8.667 1.00 0.27 N ATOM 329 CA ARG A 23 0.495 1.784 -9.770 1.00 0.34 C ATOM 330 C ARG A 23 0.951 3.177 -9.354 1.00 0.30 C ATOM 331 O ARG A 23 2.006 3.642 -9.786 1.00 0.31 O ATOM 332 CB ARG A 23 -0.440 1.874 -10.979 1.00 0.47 C ATOM 333 CG ARG A 23 -0.837 0.519 -11.550 1.00 1.16 C ATOM 334 CD ARG A 23 0.380 -0.311 -11.937 1.00 1.33 C ATOM 335 NE ARG A 23 1.228 0.371 -12.915 1.00 1.85 N ATOM 336 CZ ARG A 23 2.510 0.071 -13.130 1.00 2.38 C ATOM 337 NH1 ARG A 23 3.108 -0.876 -12.417 1.00 2.41 N ATOM 338 NH2 ARG A 23 3.197 0.727 -14.056 1.00 3.36 N ATOM 0 H ARG A 23 -1.159 0.971 -8.772 1.00 0.27 H new ATOM 0 HA ARG A 23 1.376 1.207 -10.051 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.341 2.415 -10.690 1.00 0.47 H new ATOM 0 HB3 ARG A 23 0.046 2.459 -11.760 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -1.429 -0.026 -10.815 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -1.470 0.665 -12.425 1.00 1.16 H new ATOM 0 HD2 ARG A 23 0.965 -0.533 -11.044 1.00 1.33 H new ATOM 0 HD3 ARG A 23 0.051 -1.265 -12.348 1.00 1.33 H new ATOM 0 HE ARG A 23 0.813 1.122 -13.466 1.00 1.85 H new ATOM 0 HH11 ARG A 23 2.587 -1.380 -11.699 1.00 2.41 H new ATOM 0 HH12 ARG A 23 4.088 -1.100 -12.587 1.00 2.41 H new ATOM 0 HH21 ARG A 23 2.745 1.460 -14.603 1.00 3.36 H new ATOM 0 HH22 ARG A 23 4.177 0.498 -14.221 1.00 3.36 H new ATOM 352 N ALA A 24 0.168 3.833 -8.505 1.00 0.29 N ATOM 353 CA ALA A 24 0.515 5.166 -8.028 1.00 0.31 C ATOM 354 C ALA A 24 1.810 5.128 -7.228 1.00 0.29 C ATOM 355 O ALA A 24 2.690 5.969 -7.407 1.00 0.31 O ATOM 356 CB ALA A 24 -0.610 5.743 -7.182 1.00 0.35 C ATOM 0 H ALA A 24 -0.708 3.465 -8.134 1.00 0.29 H new ATOM 0 HA ALA A 24 0.661 5.810 -8.895 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.331 6.738 -6.836 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.519 5.808 -7.781 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.787 5.096 -6.323 1.00 0.35 H new ATOM 362 N ILE A 25 1.915 4.140 -6.346 1.00 0.27 N ATOM 363 CA ILE A 25 3.105 3.961 -5.528 1.00 0.30 C ATOM 364 C ILE A 25 4.322 3.624 -6.389 1.00 0.30 C ATOM 365 O ILE A 25 5.399 4.191 -6.206 1.00 0.33 O ATOM 366 CB ILE A 25 2.896 2.851 -4.474 1.00 0.33 C ATOM 367 CG1 ILE A 25 1.731 3.210 -3.547 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.169 2.632 -3.667 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.432 2.152 -2.506 1.00 1.05 C ATOM 0 H ILE A 25 1.184 3.448 -6.180 1.00 0.27 H new ATOM 0 HA ILE A 25 3.287 4.905 -5.015 1.00 0.30 H new ATOM 0 HB ILE A 25 2.655 1.923 -4.993 1.00 0.33 H new ATOM 0 HG12 ILE A 25 1.956 4.150 -3.043 1.00 0.36 H new ATOM 0 HG13 ILE A 25 0.838 3.377 -4.149 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.002 1.847 -2.930 1.00 0.39 H new ATOM 0 HG22 ILE A 25 4.977 2.336 -4.336 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.440 3.556 -3.157 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.596 2.477 -1.887 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.175 1.216 -3.002 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.310 2.001 -1.878 1.00 1.05 H new ATOM 381 N ALA A 26 4.135 2.714 -7.340 1.00 0.31 N ATOM 382 CA ALA A 26 5.216 2.290 -8.225 1.00 0.36 C ATOM 383 C ALA A 26 5.781 3.473 -9.005 1.00 0.38 C ATOM 384 O ALA A 26 6.995 3.590 -9.194 1.00 0.40 O ATOM 385 CB ALA A 26 4.723 1.212 -9.179 1.00 0.42 C ATOM 0 H ALA A 26 3.242 2.254 -7.518 1.00 0.31 H new ATOM 0 HA ALA A 26 6.017 1.878 -7.611 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.539 0.905 -9.833 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.373 0.353 -8.607 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.904 1.606 -9.781 1.00 0.42 H new ATOM 391 N ASP A 27 4.892 4.350 -9.447 1.00 0.40 N ATOM 392 CA ASP A 27 5.285 5.548 -10.176 1.00 0.47 C ATOM 393 C ASP A 27 5.961 6.550 -9.248 1.00 0.45 C ATOM 394 O ASP A 27 6.933 7.203 -9.620 1.00 0.48 O ATOM 395 CB ASP A 27 4.063 6.188 -10.834 1.00 0.56 C ATOM 396 CG ASP A 27 4.403 7.475 -11.557 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.920 7.408 -12.692 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.153 8.560 -10.995 1.00 0.80 O ATOM 0 H ASP A 27 3.886 4.253 -9.312 1.00 0.40 H new ATOM 0 HA ASP A 27 5.997 5.259 -10.949 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.623 5.483 -11.540 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.309 6.390 -10.074 1.00 0.56 H new ATOM 403 N LEU A 28 5.457 6.639 -8.027 1.00 0.42 N ATOM 404 CA LEU A 28 5.970 7.589 -7.051 1.00 0.46 C ATOM 405 C LEU A 28 7.399 7.231 -6.666 1.00 0.44 C ATOM 406 O LEU A 28 8.248 8.103 -6.500 1.00 0.49 O ATOM 407 CB LEU A 28 5.087 7.593 -5.798 1.00 0.49 C ATOM 408 CG LEU A 28 5.515 8.561 -4.694 1.00 0.90 C ATOM 409 CD1 LEU A 28 5.276 10.002 -5.118 1.00 1.69 C ATOM 410 CD2 LEU A 28 4.773 8.252 -3.402 1.00 1.44 C ATOM 0 H LEU A 28 4.688 6.061 -7.686 1.00 0.42 H new ATOM 0 HA LEU A 28 5.959 8.582 -7.499 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.067 7.836 -6.095 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.067 6.584 -5.385 1.00 0.49 H new ATOM 0 HG LEU A 28 6.583 8.432 -4.519 1.00 0.90 H new ATOM 0 HD11 LEU A 28 5.588 10.673 -4.318 1.00 1.69 H new ATOM 0 HD12 LEU A 28 5.853 10.217 -6.017 1.00 1.69 H new ATOM 0 HD13 LEU A 28 4.216 10.150 -5.323 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.088 8.949 -2.626 1.00 1.44 H new ATOM 0 HD22 LEU A 28 3.700 8.352 -3.566 1.00 1.44 H new ATOM 0 HD23 LEU A 28 4.998 7.233 -3.088 1.00 1.44 H new ATOM 422 N LEU A 29 7.653 5.937 -6.534 1.00 0.40 N ATOM 423 CA LEU A 29 8.971 5.444 -6.159 1.00 0.41 C ATOM 424 C LEU A 29 9.935 5.440 -7.346 1.00 0.44 C ATOM 425 O LEU A 29 11.023 4.868 -7.263 1.00 0.48 O ATOM 426 CB LEU A 29 8.856 4.031 -5.579 1.00 0.38 C ATOM 427 CG LEU A 29 7.899 3.892 -4.394 1.00 0.39 C ATOM 428 CD1 LEU A 29 7.889 2.465 -3.881 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.268 4.859 -3.280 1.00 0.49 C ATOM 0 H LEU A 29 6.958 5.205 -6.682 1.00 0.40 H new ATOM 0 HA LEU A 29 9.374 6.120 -5.404 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.530 3.356 -6.370 1.00 0.38 H new ATOM 0 HB3 LEU A 29 9.847 3.702 -5.266 1.00 0.38 H new ATOM 0 HG LEU A 29 6.896 4.141 -4.739 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.202 2.386 -3.038 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.565 1.794 -4.677 1.00 0.41 H new ATOM 0 HD13 LEU A 29 8.893 2.187 -3.559 1.00 0.41 H new ATOM 0 HD21 LEU A 29 7.572 4.740 -2.449 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.281 4.650 -2.937 1.00 0.49 H new ATOM 0 HD23 LEU A 29 8.215 5.882 -3.654 1.00 0.49 H new ATOM 441 N ASN A 30 9.525 6.073 -8.447 1.00 0.45 N ATOM 442 CA ASN A 30 10.350 6.170 -9.656 1.00 0.51 C ATOM 443 C ASN A 30 10.636 4.790 -10.237 1.00 0.49 C ATOM 444 O ASN A 30 11.683 4.572 -10.838 1.00 0.55 O ATOM 445 CB ASN A 30 11.678 6.894 -9.370 1.00 0.60 C ATOM 446 CG ASN A 30 11.512 8.372 -9.072 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.288 8.766 -7.928 1.00 1.36 O ATOM 448 ND2 ASN A 30 11.645 9.205 -10.091 1.00 1.44 N ATOM 0 H ASN A 30 8.617 6.531 -8.527 1.00 0.45 H new ATOM 0 HA ASN A 30 9.785 6.751 -10.385 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.169 6.414 -8.523 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.338 6.777 -10.229 1.00 0.60 H new ATOM 0 HD21 ASN A 30 11.562 10.211 -9.942 1.00 1.44 H new ATOM 0 HD22 ASN A 30 11.830 8.842 -11.026 1.00 1.44 H new ATOM 455 N HIS A 31 9.697 3.862 -10.051 1.00 0.46 N ATOM 456 CA HIS A 31 9.854 2.484 -10.531 1.00 0.50 C ATOM 457 C HIS A 31 11.108 1.827 -9.953 1.00 0.55 C ATOM 458 O HIS A 31 11.789 1.057 -10.629 1.00 0.67 O ATOM 459 CB HIS A 31 9.894 2.428 -12.065 1.00 0.60 C ATOM 460 CG HIS A 31 8.579 2.735 -12.714 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.598 1.785 -12.902 1.00 1.25 N ATOM 462 CD2 HIS A 31 8.081 3.891 -13.217 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.557 2.341 -13.493 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.824 3.616 -13.694 1.00 0.94 N ATOM 0 H HIS A 31 8.815 4.038 -9.570 1.00 0.46 H new ATOM 0 HA HIS A 31 8.983 1.927 -10.185 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.641 3.135 -12.426 1.00 0.60 H new ATOM 0 HB3 HIS A 31 10.219 1.435 -12.375 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.580 4.849 -13.238 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.642 1.837 -13.766 1.00 1.16 H new ATOM 0 HE2 HIS A 31 6.197 4.290 -14.133 1.00 0.94 H new ATOM 473 N ARG A 32 11.417 2.149 -8.704 1.00 0.53 N ATOM 474 CA ARG A 32 12.542 1.532 -8.013 1.00 0.61 C ATOM 475 C ARG A 32 12.055 0.395 -7.125 1.00 0.56 C ATOM 476 O ARG A 32 12.827 -0.213 -6.384 1.00 0.66 O ATOM 477 CB ARG A 32 13.296 2.572 -7.182 1.00 0.71 C ATOM 478 CG ARG A 32 14.083 3.564 -8.025 1.00 0.81 C ATOM 479 CD ARG A 32 14.734 4.637 -7.173 1.00 1.64 C ATOM 480 NE ARG A 32 13.758 5.576 -6.618 1.00 2.26 N ATOM 481 CZ ARG A 32 14.094 6.687 -5.962 1.00 3.24 C ATOM 482 NH1 ARG A 32 15.372 6.957 -5.727 1.00 3.73 N ATOM 483 NH2 ARG A 32 13.156 7.523 -5.532 1.00 4.08 N ATOM 0 H ARG A 32 10.905 2.834 -8.148 1.00 0.53 H new ATOM 0 HA ARG A 32 13.226 1.125 -8.758 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.584 3.117 -6.563 1.00 0.71 H new ATOM 0 HB3 ARG A 32 13.979 2.059 -6.505 1.00 0.71 H new ATOM 0 HG2 ARG A 32 14.850 3.033 -8.589 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.418 4.031 -8.752 1.00 0.81 H new ATOM 0 HD2 ARG A 32 15.285 4.166 -6.359 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.460 5.184 -7.775 1.00 1.64 H new ATOM 0 HE ARG A 32 12.767 5.369 -6.740 1.00 2.26 H new ATOM 0 HH11 ARG A 32 16.096 6.315 -6.048 1.00 3.73 H new ATOM 0 HH12 ARG A 32 15.630 7.807 -5.225 1.00 3.73 H new ATOM 0 HH21 ARG A 32 12.172 7.317 -5.703 1.00 4.08 H new ATOM 0 HH22 ARG A 32 13.420 8.371 -5.031 1.00 4.08 H new ATOM 497 N ALA A 33 10.764 0.121 -7.212 1.00 0.48 N ATOM 498 CA ALA A 33 10.150 -0.952 -6.458 1.00 0.45 C ATOM 499 C ALA A 33 8.988 -1.544 -7.241 1.00 0.43 C ATOM 500 O ALA A 33 8.379 -0.869 -8.075 1.00 0.49 O ATOM 501 CB ALA A 33 9.675 -0.446 -5.105 1.00 0.49 C ATOM 0 H ALA A 33 10.116 0.637 -7.807 1.00 0.48 H new ATOM 0 HA ALA A 33 10.893 -1.732 -6.292 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.216 -1.265 -4.551 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.525 -0.059 -4.543 1.00 0.49 H new ATOM 0 HB3 ALA A 33 8.943 0.349 -5.250 1.00 0.49 H new ATOM 507 N HIS A 34 8.694 -2.803 -6.973 1.00 0.39 N ATOM 508 CA HIS A 34 7.608 -3.503 -7.639 1.00 0.41 C ATOM 509 C HIS A 34 6.469 -3.736 -6.658 1.00 0.36 C ATOM 510 O HIS A 34 6.684 -4.234 -5.554 1.00 0.34 O ATOM 511 CB HIS A 34 8.116 -4.839 -8.207 1.00 0.48 C ATOM 512 CG HIS A 34 7.038 -5.722 -8.764 1.00 0.59 C ATOM 513 ND1 HIS A 34 6.616 -5.674 -10.074 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.297 -6.686 -8.171 1.00 0.63 C ATOM 515 CE1 HIS A 34 5.663 -6.570 -10.260 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.451 -7.198 -9.119 1.00 0.80 N ATOM 0 H HIS A 34 9.198 -3.369 -6.290 1.00 0.39 H new ATOM 0 HA HIS A 34 7.238 -2.895 -8.465 1.00 0.41 H new ATOM 0 HB2 HIS A 34 8.843 -4.634 -8.992 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.641 -5.379 -7.419 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.361 -6.996 -7.138 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.145 -6.757 -11.189 1.00 0.89 H new ATOM 0 HE2 HIS A 34 4.770 -7.942 -8.968 1.00 0.80 H new ATOM 525 N THR A 35 5.262 -3.385 -7.062 1.00 0.38 N ATOM 526 CA THR A 35 4.107 -3.531 -6.198 1.00 0.36 C ATOM 527 C THR A 35 3.162 -4.604 -6.731 1.00 0.39 C ATOM 528 O THR A 35 2.989 -4.744 -7.943 1.00 0.45 O ATOM 529 CB THR A 35 3.352 -2.198 -6.054 1.00 0.41 C ATOM 530 OG1 THR A 35 2.986 -1.693 -7.347 1.00 0.49 O ATOM 531 CG2 THR A 35 4.216 -1.173 -5.336 1.00 0.41 C ATOM 0 H THR A 35 5.057 -2.997 -7.983 1.00 0.38 H new ATOM 0 HA THR A 35 4.468 -3.835 -5.216 1.00 0.36 H new ATOM 0 HB THR A 35 2.450 -2.377 -5.468 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.170 -2.373 -8.028 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.667 -0.236 -5.242 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.472 -1.544 -4.344 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.129 -1.003 -5.907 1.00 0.41 H new ATOM 539 N ASP A 36 2.567 -5.367 -5.827 1.00 0.38 N ATOM 540 CA ASP A 36 1.640 -6.423 -6.214 1.00 0.44 C ATOM 541 C ASP A 36 0.314 -6.253 -5.505 1.00 0.39 C ATOM 542 O ASP A 36 0.273 -5.996 -4.299 1.00 0.47 O ATOM 543 CB ASP A 36 2.199 -7.815 -5.893 1.00 0.56 C ATOM 544 CG ASP A 36 3.384 -8.197 -6.751 1.00 0.92 C ATOM 545 OD1 ASP A 36 3.229 -8.291 -7.988 1.00 1.07 O ATOM 546 OD2 ASP A 36 4.474 -8.415 -6.187 1.00 1.56 O ATOM 0 H ASP A 36 2.708 -5.276 -4.821 1.00 0.38 H new ATOM 0 HA ASP A 36 1.498 -6.342 -7.292 1.00 0.44 H new ATOM 0 HB2 ASP A 36 2.493 -7.847 -4.844 1.00 0.56 H new ATOM 0 HB3 ASP A 36 1.410 -8.555 -6.026 1.00 0.56 H new ATOM 551 N VAL A 37 -0.764 -6.404 -6.254 1.00 0.37 N ATOM 552 CA VAL A 37 -2.097 -6.337 -5.689 1.00 0.37 C ATOM 553 C VAL A 37 -2.506 -7.708 -5.172 1.00 0.36 C ATOM 554 O VAL A 37 -2.967 -8.564 -5.932 1.00 0.48 O ATOM 555 CB VAL A 37 -3.133 -5.844 -6.723 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.518 -5.752 -6.099 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.718 -4.501 -7.304 1.00 0.54 C ATOM 0 H VAL A 37 -0.740 -6.575 -7.259 1.00 0.37 H new ATOM 0 HA VAL A 37 -2.074 -5.620 -4.868 1.00 0.37 H new ATOM 0 HB VAL A 37 -3.172 -6.570 -7.535 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -5.231 -5.403 -6.846 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.821 -6.735 -5.740 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.495 -5.052 -5.264 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.462 -4.173 -8.030 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.643 -3.765 -6.503 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.751 -4.601 -7.796 1.00 0.54 H new ATOM 567 N VAL A 38 -2.308 -7.923 -3.886 1.00 0.34 N ATOM 568 CA VAL A 38 -2.678 -9.178 -3.259 1.00 0.36 C ATOM 569 C VAL A 38 -4.185 -9.224 -3.069 1.00 0.42 C ATOM 570 O VAL A 38 -4.758 -8.376 -2.385 1.00 0.46 O ATOM 571 CB VAL A 38 -1.978 -9.357 -1.898 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.362 -10.681 -1.265 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.469 -9.253 -2.055 1.00 0.46 C ATOM 0 H VAL A 38 -1.891 -7.242 -3.252 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.358 -9.991 -3.911 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.309 -8.557 -1.236 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -1.856 -10.786 -0.305 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.441 -10.712 -1.112 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.065 -11.498 -1.923 1.00 0.45 H new ATOM 0 HG21 VAL A 38 0.008 -9.382 -1.083 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.120 -10.029 -2.736 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.212 -8.273 -2.458 1.00 0.46 H new ATOM 583 N GLY A 39 -4.816 -10.202 -3.695 1.00 0.58 N ATOM 584 CA GLY A 39 -6.257 -10.291 -3.660 1.00 0.74 C ATOM 585 C GLY A 39 -6.776 -10.809 -2.338 1.00 0.69 C ATOM 586 O GLY A 39 -6.024 -11.383 -1.546 1.00 0.84 O ATOM 0 H GLY A 39 -4.354 -10.938 -4.229 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.683 -9.306 -3.852 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.596 -10.947 -4.461 1.00 0.74 H new ATOM 590 N TYR A 40 -8.065 -10.611 -2.106 1.00 0.73 N ATOM 591 CA TYR A 40 -8.707 -11.085 -0.891 1.00 0.82 C ATOM 592 C TYR A 40 -8.667 -12.607 -0.850 1.00 1.19 C ATOM 593 O TYR A 40 -9.279 -13.279 -1.685 1.00 1.44 O ATOM 594 CB TYR A 40 -10.154 -10.581 -0.833 1.00 0.91 C ATOM 595 CG TYR A 40 -10.890 -10.924 0.449 1.00 1.21 C ATOM 596 CD1 TYR A 40 -10.688 -10.183 1.608 1.00 1.29 C ATOM 597 CD2 TYR A 40 -11.798 -11.978 0.495 1.00 1.66 C ATOM 598 CE1 TYR A 40 -11.367 -10.482 2.776 1.00 1.73 C ATOM 599 CE2 TYR A 40 -12.479 -12.281 1.660 1.00 2.08 C ATOM 600 CZ TYR A 40 -12.260 -11.531 2.796 1.00 2.09 C ATOM 601 OH TYR A 40 -12.940 -11.828 3.955 1.00 2.57 O ATOM 0 H TYR A 40 -8.689 -10.122 -2.748 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.172 -10.698 -0.024 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -10.153 -9.498 -0.958 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.705 -10.999 -1.676 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -9.989 -9.360 1.596 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -11.973 -12.568 -0.392 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -11.198 -9.896 3.667 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -13.180 -13.102 1.680 1.00 2.08 H new ATOM 0 HH TYR A 40 -13.531 -12.594 3.800 1.00 2.57 H new ATOM 611 N GLY A 41 -7.932 -13.143 0.110 1.00 1.45 N ATOM 612 CA GLY A 41 -7.776 -14.580 0.209 1.00 1.91 C ATOM 613 C GLY A 41 -8.858 -15.213 1.052 1.00 2.10 C ATOM 614 O GLY A 41 -9.248 -16.357 0.824 1.00 2.74 O ATOM 0 H GLY A 41 -7.439 -12.608 0.825 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -7.794 -15.016 -0.790 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -6.801 -14.809 0.639 1.00 1.91 H new ATOM 618 N GLY A 42 -9.347 -14.467 2.024 1.00 2.18 N ATOM 619 CA GLY A 42 -10.384 -14.969 2.892 1.00 2.55 C ATOM 620 C GLY A 42 -10.300 -14.348 4.265 1.00 2.43 C ATOM 621 O GLY A 42 -9.651 -13.315 4.435 1.00 2.95 O ATOM 0 H GLY A 42 -9.042 -13.516 2.229 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -11.360 -14.759 2.455 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -10.299 -16.052 2.975 1.00 2.55 H new ATOM 625 N HIS A 43 -10.947 -14.966 5.243 1.00 2.38 N ATOM 626 CA HIS A 43 -10.920 -14.460 6.609 1.00 2.64 C ATOM 627 C HIS A 43 -9.489 -14.427 7.142 1.00 2.45 C ATOM 628 O HIS A 43 -8.799 -15.447 7.174 1.00 2.82 O ATOM 629 CB HIS A 43 -11.833 -15.293 7.531 1.00 3.41 C ATOM 630 CG HIS A 43 -11.594 -16.779 7.489 1.00 4.12 C ATOM 631 ND1 HIS A 43 -12.372 -17.640 6.747 1.00 4.78 N ATOM 632 CD2 HIS A 43 -10.670 -17.555 8.108 1.00 4.72 C ATOM 633 CE1 HIS A 43 -11.938 -18.875 6.908 1.00 5.56 C ATOM 634 NE2 HIS A 43 -10.906 -18.852 7.729 1.00 5.56 N ATOM 0 H HIS A 43 -11.496 -15.816 5.117 1.00 2.38 H new ATOM 0 HA HIS A 43 -11.304 -13.440 6.598 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -11.701 -14.948 8.556 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -12.871 -15.099 7.261 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -9.892 -17.215 8.776 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -12.357 -19.756 6.446 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -10.371 -19.666 8.032 1.00 5.56 H new ATOM 643 N GLY A 44 -9.033 -13.239 7.509 1.00 2.45 N ATOM 644 CA GLY A 44 -7.700 -13.090 8.053 1.00 2.61 C ATOM 645 C GLY A 44 -6.685 -12.700 6.998 1.00 2.52 C ATOM 646 O GLY A 44 -5.523 -12.447 7.308 1.00 3.24 O ATOM 0 H GLY A 44 -9.565 -12.372 7.439 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -7.713 -12.333 8.837 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -7.394 -14.027 8.519 1.00 2.61 H new ATOM 650 N HIS A 45 -7.120 -12.649 5.747 1.00 2.13 N ATOM 651 CA HIS A 45 -6.236 -12.282 4.650 1.00 2.41 C ATOM 652 C HIS A 45 -6.957 -11.329 3.703 1.00 1.96 C ATOM 653 O HIS A 45 -7.550 -11.754 2.705 1.00 1.99 O ATOM 654 CB HIS A 45 -5.758 -13.531 3.897 1.00 3.13 C ATOM 655 CG HIS A 45 -4.667 -13.262 2.900 1.00 3.69 C ATOM 656 ND1 HIS A 45 -3.329 -13.391 3.198 1.00 4.34 N ATOM 657 CD2 HIS A 45 -4.723 -12.878 1.602 1.00 4.18 C ATOM 658 CE1 HIS A 45 -2.612 -13.097 2.129 1.00 4.97 C ATOM 659 NE2 HIS A 45 -3.434 -12.784 1.147 1.00 4.90 N ATOM 0 H HIS A 45 -8.078 -12.857 5.467 1.00 2.13 H new ATOM 0 HA HIS A 45 -5.359 -11.779 5.059 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -5.403 -14.265 4.620 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -6.607 -13.978 3.380 1.00 3.13 H new ATOM 0 HD1 HIS A 45 -2.951 -13.670 4.103 1.00 4.34 H new ATOM 0 HD2 HIS A 45 -5.619 -12.682 1.031 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -1.534 -13.111 2.069 1.00 4.97 H new ATOM 668 N PRO A 46 -6.917 -10.029 4.016 1.00 1.70 N ATOM 669 CA PRO A 46 -7.596 -9.003 3.230 1.00 1.42 C ATOM 670 C PRO A 46 -6.796 -8.602 1.997 1.00 1.09 C ATOM 671 O PRO A 46 -5.647 -9.016 1.826 1.00 1.09 O ATOM 672 CB PRO A 46 -7.692 -7.836 4.215 1.00 1.54 C ATOM 673 CG PRO A 46 -6.485 -7.974 5.080 1.00 1.86 C ATOM 674 CD PRO A 46 -6.188 -9.449 5.164 1.00 1.87 C ATOM 0 HA PRO A 46 -8.558 -9.338 2.843 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -7.700 -6.878 3.695 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -8.609 -7.887 4.802 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -5.640 -7.431 4.657 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -6.667 -7.558 6.071 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -5.118 -9.645 5.097 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.531 -9.872 6.109 1.00 1.87 H new ATOM 682 N THR A 47 -7.421 -7.819 1.128 1.00 0.89 N ATOM 683 CA THR A 47 -6.735 -7.251 -0.015 1.00 0.62 C ATOM 684 C THR A 47 -5.666 -6.272 0.469 1.00 0.51 C ATOM 685 O THR A 47 -5.945 -5.389 1.284 1.00 0.59 O ATOM 686 CB THR A 47 -7.728 -6.524 -0.943 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.848 -7.380 -1.216 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.066 -6.122 -2.258 1.00 0.55 C ATOM 0 H THR A 47 -8.406 -7.564 1.197 1.00 0.89 H new ATOM 0 HA THR A 47 -6.267 -8.058 -0.579 1.00 0.62 H new ATOM 0 HB THR A 47 -8.063 -5.619 -0.437 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.479 -6.915 -1.805 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.793 -5.612 -2.890 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.229 -5.454 -2.055 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.703 -7.013 -2.770 1.00 0.55 H new ATOM 696 N GLN A 48 -4.456 -6.431 -0.034 1.00 0.40 N ATOM 697 CA GLN A 48 -3.322 -5.663 0.450 1.00 0.36 C ATOM 698 C GLN A 48 -2.276 -5.526 -0.643 1.00 0.33 C ATOM 699 O GLN A 48 -2.168 -6.382 -1.516 1.00 0.40 O ATOM 700 CB GLN A 48 -2.730 -6.328 1.702 1.00 0.36 C ATOM 701 CG GLN A 48 -2.339 -7.790 1.512 1.00 0.39 C ATOM 702 CD GLN A 48 -2.110 -8.510 2.834 1.00 0.49 C ATOM 703 OE1 GLN A 48 -2.734 -8.190 3.845 1.00 1.06 O ATOM 704 NE2 GLN A 48 -1.217 -9.490 2.843 1.00 1.04 N ATOM 0 H GLN A 48 -4.232 -7.088 -0.781 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.659 -4.663 0.723 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.850 -5.767 2.015 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.456 -6.261 2.512 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.123 -8.303 0.954 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.432 -7.845 0.910 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -0.716 -9.731 1.988 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -1.031 -10.003 3.705 1.00 1.04 H new ATOM 713 N VAL A 49 -1.518 -4.447 -0.612 1.00 0.29 N ATOM 714 CA VAL A 49 -0.506 -4.221 -1.627 1.00 0.29 C ATOM 715 C VAL A 49 0.890 -4.320 -1.026 1.00 0.28 C ATOM 716 O VAL A 49 1.230 -3.619 -0.070 1.00 0.30 O ATOM 717 CB VAL A 49 -0.701 -2.862 -2.345 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.646 -1.700 -1.366 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.333 -2.682 -3.443 1.00 0.36 C ATOM 0 H VAL A 49 -1.582 -3.718 0.099 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.617 -5.003 -2.378 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.693 -2.869 -2.797 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.787 -0.763 -1.905 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.435 -1.813 -0.623 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.323 -1.690 -0.867 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.178 -1.722 -3.935 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.333 -2.711 -3.010 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.231 -3.484 -4.174 1.00 0.36 H new ATOM 729 N ARG A 50 1.680 -5.234 -1.562 1.00 0.31 N ATOM 730 CA ARG A 50 3.049 -5.403 -1.106 1.00 0.30 C ATOM 731 C ARG A 50 4.000 -4.611 -1.988 1.00 0.27 C ATOM 732 O ARG A 50 3.854 -4.585 -3.212 1.00 0.30 O ATOM 733 CB ARG A 50 3.452 -6.885 -1.083 1.00 0.34 C ATOM 734 CG ARG A 50 3.530 -7.531 -2.457 1.00 0.39 C ATOM 735 CD ARG A 50 4.062 -8.952 -2.376 1.00 0.52 C ATOM 736 NE ARG A 50 4.277 -9.532 -3.702 1.00 1.34 N ATOM 737 CZ ARG A 50 4.466 -10.830 -3.929 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.498 -11.694 -2.920 1.00 1.15 N ATOM 739 NH2 ARG A 50 4.636 -11.260 -5.170 1.00 2.62 N ATOM 0 H ARG A 50 1.399 -5.868 -2.310 1.00 0.31 H new ATOM 0 HA ARG A 50 3.112 -5.023 -0.086 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.422 -6.979 -0.594 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.734 -7.436 -0.475 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.540 -7.538 -2.914 1.00 0.39 H new ATOM 0 HG3 ARG A 50 4.175 -6.936 -3.104 1.00 0.39 H new ATOM 0 HD2 ARG A 50 5.000 -8.957 -1.821 1.00 0.52 H new ATOM 0 HD3 ARG A 50 3.359 -9.571 -1.819 1.00 0.52 H new ATOM 0 HE ARG A 50 4.282 -8.901 -4.504 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.377 -11.364 -1.962 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.643 -12.687 -3.103 1.00 1.15 H new ATOM 0 HH21 ARG A 50 4.622 -10.598 -5.946 1.00 2.62 H new ATOM 0 HH22 ARG A 50 4.781 -12.253 -5.350 1.00 2.62 H new ATOM 753 N ILE A 51 4.947 -3.944 -1.358 1.00 0.24 N ATOM 754 CA ILE A 51 5.969 -3.212 -2.071 1.00 0.23 C ATOM 755 C ILE A 51 7.313 -3.888 -1.854 1.00 0.24 C ATOM 756 O ILE A 51 7.833 -3.909 -0.737 1.00 0.27 O ATOM 757 CB ILE A 51 6.056 -1.746 -1.596 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.663 -1.111 -1.560 1.00 0.34 C ATOM 759 CG2 ILE A 51 6.977 -0.953 -2.514 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.646 0.285 -0.980 1.00 0.42 C ATOM 0 H ILE A 51 5.028 -3.896 -0.342 1.00 0.24 H new ATOM 0 HA ILE A 51 5.707 -3.210 -3.129 1.00 0.23 H new ATOM 0 HB ILE A 51 6.467 -1.730 -0.587 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.262 -1.079 -2.573 1.00 0.34 H new ATOM 0 HG13 ILE A 51 3.999 -1.746 -0.974 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.032 0.080 -2.170 1.00 0.31 H new ATOM 0 HG22 ILE A 51 7.974 -1.394 -2.498 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.586 -0.977 -3.531 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.626 0.670 -0.987 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.016 0.258 0.045 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.283 0.936 -1.579 1.00 0.42 H new ATOM 772 N VAL A 52 7.849 -4.462 -2.912 1.00 0.24 N ATOM 773 CA VAL A 52 9.122 -5.156 -2.840 1.00 0.30 C ATOM 774 C VAL A 52 10.147 -4.434 -3.699 1.00 0.34 C ATOM 775 O VAL A 52 9.887 -4.122 -4.862 1.00 0.33 O ATOM 776 CB VAL A 52 8.997 -6.625 -3.310 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.321 -7.365 -3.166 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.895 -7.345 -2.542 1.00 0.38 C ATOM 0 H VAL A 52 7.421 -4.462 -3.838 1.00 0.24 H new ATOM 0 HA VAL A 52 9.443 -5.160 -1.798 1.00 0.30 H new ATOM 0 HB VAL A 52 8.731 -6.615 -4.367 1.00 0.36 H new ATOM 0 HG11 VAL A 52 10.201 -8.394 -3.504 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.082 -6.871 -3.770 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.629 -7.360 -2.120 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.824 -8.376 -2.888 1.00 0.38 H new ATOM 0 HG22 VAL A 52 8.127 -7.335 -1.477 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.944 -6.840 -2.711 1.00 0.38 H new ATOM 788 N ALA A 53 11.303 -4.162 -3.124 1.00 0.42 N ATOM 789 CA ALA A 53 12.347 -3.447 -3.833 1.00 0.53 C ATOM 790 C ALA A 53 13.596 -4.309 -3.965 1.00 0.73 C ATOM 791 O ALA A 53 14.310 -4.528 -2.983 1.00 0.93 O ATOM 792 CB ALA A 53 12.671 -2.138 -3.127 1.00 0.70 C ATOM 0 H ALA A 53 11.543 -4.425 -2.168 1.00 0.42 H new ATOM 0 HA ALA A 53 11.985 -3.217 -4.835 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.456 -1.615 -3.673 1.00 0.70 H new ATOM 0 HB2 ALA A 53 11.778 -1.514 -3.089 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.011 -2.346 -2.113 1.00 0.70 H new ATOM 798 N PRO A 54 13.862 -4.834 -5.173 1.00 0.85 N ATOM 799 CA PRO A 54 15.076 -5.605 -5.445 1.00 1.12 C ATOM 800 C PRO A 54 16.321 -4.754 -5.227 1.00 1.33 C ATOM 801 O PRO A 54 16.603 -3.841 -6.005 1.00 1.67 O ATOM 802 CB PRO A 54 14.943 -5.996 -6.923 1.00 1.38 C ATOM 803 CG PRO A 54 13.493 -5.846 -7.233 1.00 1.38 C ATOM 804 CD PRO A 54 13.003 -4.723 -6.364 1.00 0.90 C ATOM 0 HA PRO A 54 15.179 -6.467 -4.786 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.551 -5.352 -7.558 1.00 1.38 H new ATOM 0 HB3 PRO A 54 15.279 -7.019 -7.092 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.340 -5.619 -8.288 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.951 -6.768 -7.023 1.00 1.38 H new ATOM 0 HD2 PRO A 54 13.113 -3.755 -6.853 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.948 -4.836 -6.114 1.00 0.90 H new ATOM 812 N HIS A 55 17.048 -5.039 -4.154 1.00 1.70 N ATOM 813 CA HIS A 55 18.203 -4.232 -3.792 1.00 2.07 C ATOM 814 C HIS A 55 19.353 -4.455 -4.772 1.00 2.00 C ATOM 815 O HIS A 55 19.909 -5.549 -4.867 1.00 2.68 O ATOM 816 CB HIS A 55 18.644 -4.499 -2.334 1.00 3.16 C ATOM 817 CG HIS A 55 19.202 -5.871 -2.058 1.00 3.95 C ATOM 818 ND1 HIS A 55 18.418 -6.977 -1.815 1.00 4.65 N ATOM 819 CD2 HIS A 55 20.485 -6.303 -1.966 1.00 4.64 C ATOM 820 CE1 HIS A 55 19.189 -8.021 -1.586 1.00 5.54 C ATOM 821 NE2 HIS A 55 20.449 -7.641 -1.671 1.00 5.53 N ATOM 0 H HIS A 55 16.859 -5.818 -3.524 1.00 1.70 H new ATOM 0 HA HIS A 55 17.910 -3.184 -3.855 1.00 2.07 H new ATOM 0 HB2 HIS A 55 19.397 -3.760 -2.061 1.00 3.16 H new ATOM 0 HB3 HIS A 55 17.787 -4.338 -1.680 1.00 3.16 H new ATOM 0 HD2 HIS A 55 21.372 -5.702 -2.101 1.00 4.64 H new ATOM 0 HE1 HIS A 55 18.846 -9.021 -1.365 1.00 5.54 H new ATOM 0 HE2 HIS A 55 21.262 -8.243 -1.539 1.00 5.53 H new ATOM 830 N ALA A 56 19.675 -3.415 -5.527 1.00 2.11 N ATOM 831 CA ALA A 56 20.809 -3.455 -6.433 1.00 2.93 C ATOM 832 C ALA A 56 22.092 -3.234 -5.651 1.00 3.03 C ATOM 833 O ALA A 56 23.151 -3.760 -5.994 1.00 3.40 O ATOM 834 CB ALA A 56 20.656 -2.411 -7.528 1.00 3.83 C ATOM 0 H ALA A 56 19.164 -2.532 -5.529 1.00 2.11 H new ATOM 0 HA ALA A 56 20.851 -4.434 -6.910 1.00 2.93 H new ATOM 0 HB1 ALA A 56 21.515 -2.457 -8.197 1.00 3.83 H new ATOM 0 HB2 ALA A 56 19.745 -2.608 -8.094 1.00 3.83 H new ATOM 0 HB3 ALA A 56 20.597 -1.419 -7.080 1.00 3.83 H new ATOM 840 N GLU A 57 21.966 -2.455 -4.587 1.00 3.26 N ATOM 841 CA GLU A 57 23.063 -2.195 -3.674 1.00 3.76 C ATOM 842 C GLU A 57 23.357 -3.443 -2.852 1.00 3.61 C ATOM 843 O GLU A 57 22.492 -3.933 -2.127 1.00 3.99 O ATOM 844 CB GLU A 57 22.695 -1.023 -2.755 1.00 4.58 C ATOM 845 CG GLU A 57 23.753 -0.691 -1.716 1.00 5.31 C ATOM 846 CD GLU A 57 25.106 -0.419 -2.331 1.00 5.69 C ATOM 847 OE1 GLU A 57 25.350 0.726 -2.760 1.00 6.04 O ATOM 848 OE2 GLU A 57 25.932 -1.352 -2.384 1.00 5.97 O ATOM 0 H GLU A 57 21.097 -1.985 -4.334 1.00 3.26 H new ATOM 0 HA GLU A 57 23.957 -1.934 -4.241 1.00 3.76 H new ATOM 0 HB2 GLU A 57 22.513 -0.139 -3.367 1.00 4.58 H new ATOM 0 HB3 GLU A 57 21.761 -1.256 -2.244 1.00 4.58 H new ATOM 0 HG2 GLU A 57 23.435 0.182 -1.145 1.00 5.31 H new ATOM 0 HG3 GLU A 57 23.838 -1.519 -1.012 1.00 5.31 H new ATOM 855 N HIS A 58 24.567 -3.967 -2.981 1.00 3.56 N ATOM 856 CA HIS A 58 24.956 -5.160 -2.235 1.00 3.76 C ATOM 857 C HIS A 58 26.313 -4.971 -1.570 1.00 3.57 C ATOM 858 O HIS A 58 26.926 -5.930 -1.106 1.00 4.09 O ATOM 859 CB HIS A 58 24.972 -6.402 -3.140 1.00 4.54 C ATOM 860 CG HIS A 58 25.939 -6.331 -4.286 1.00 5.13 C ATOM 861 ND1 HIS A 58 27.249 -6.752 -4.194 1.00 5.69 N ATOM 862 CD2 HIS A 58 25.775 -5.904 -5.559 1.00 5.69 C ATOM 863 CE1 HIS A 58 27.845 -6.587 -5.359 1.00 6.45 C ATOM 864 NE2 HIS A 58 26.972 -6.074 -6.201 1.00 6.46 N ATOM 0 H HIS A 58 25.293 -3.590 -3.590 1.00 3.56 H new ATOM 0 HA HIS A 58 24.210 -5.316 -1.456 1.00 3.76 H new ATOM 0 HB2 HIS A 58 25.213 -7.274 -2.532 1.00 4.54 H new ATOM 0 HB3 HIS A 58 23.969 -6.558 -3.538 1.00 4.54 H new ATOM 0 HD2 HIS A 58 24.869 -5.504 -5.989 1.00 5.69 H new ATOM 0 HE1 HIS A 58 28.873 -6.831 -5.584 1.00 6.45 H new ATOM 0 HE2 HIS A 58 27.158 -5.840 -7.176 1.00 6.46 H new ATOM 873 N VAL A 59 26.782 -3.737 -1.532 1.00 3.30 N ATOM 874 CA VAL A 59 28.040 -3.422 -0.874 1.00 3.48 C ATOM 875 C VAL A 59 27.775 -2.562 0.356 1.00 2.89 C ATOM 876 O VAL A 59 28.440 -2.691 1.382 1.00 3.24 O ATOM 877 CB VAL A 59 29.012 -2.684 -1.822 1.00 4.38 C ATOM 878 CG1 VAL A 59 30.338 -2.409 -1.131 1.00 5.11 C ATOM 879 CG2 VAL A 59 29.231 -3.488 -3.096 1.00 5.10 C ATOM 0 H VAL A 59 26.311 -2.934 -1.949 1.00 3.30 H new ATOM 0 HA VAL A 59 28.507 -4.362 -0.579 1.00 3.48 H new ATOM 0 HB VAL A 59 28.563 -1.728 -2.090 1.00 4.38 H new ATOM 0 HG11 VAL A 59 31.005 -1.889 -1.818 1.00 5.11 H new ATOM 0 HG12 VAL A 59 30.168 -1.789 -0.251 1.00 5.11 H new ATOM 0 HG13 VAL A 59 30.793 -3.352 -0.828 1.00 5.11 H new ATOM 0 HG21 VAL A 59 29.918 -2.952 -3.751 1.00 5.10 H new ATOM 0 HG22 VAL A 59 29.654 -4.461 -2.844 1.00 5.10 H new ATOM 0 HG23 VAL A 59 28.278 -3.628 -3.606 1.00 5.10 H new ATOM 889 N ARG A 60 26.785 -1.698 0.242 1.00 2.60 N ATOM 890 CA ARG A 60 26.412 -0.802 1.325 1.00 2.50 C ATOM 891 C ARG A 60 24.983 -1.096 1.776 1.00 2.31 C ATOM 892 O ARG A 60 24.341 -2.017 1.264 1.00 2.94 O ATOM 893 CB ARG A 60 26.533 0.656 0.866 1.00 3.03 C ATOM 894 CG ARG A 60 27.934 1.059 0.428 1.00 3.53 C ATOM 895 CD ARG A 60 28.922 1.040 1.586 1.00 4.11 C ATOM 896 NE ARG A 60 28.546 1.982 2.639 1.00 4.48 N ATOM 897 CZ ARG A 60 29.354 2.350 3.631 1.00 5.30 C ATOM 898 NH1 ARG A 60 30.597 1.889 3.688 1.00 5.79 N ATOM 899 NH2 ARG A 60 28.924 3.194 4.558 1.00 5.97 N ATOM 0 H ARG A 60 26.217 -1.596 -0.599 1.00 2.60 H new ATOM 0 HA ARG A 60 27.087 -0.962 2.166 1.00 2.50 H new ATOM 0 HB2 ARG A 60 25.844 0.823 0.038 1.00 3.03 H new ATOM 0 HB3 ARG A 60 26.217 1.309 1.680 1.00 3.03 H new ATOM 0 HG2 ARG A 60 28.278 0.381 -0.353 1.00 3.53 H new ATOM 0 HG3 ARG A 60 27.904 2.058 -0.007 1.00 3.53 H new ATOM 0 HD2 ARG A 60 28.975 0.034 2.001 1.00 4.11 H new ATOM 0 HD3 ARG A 60 29.918 1.286 1.218 1.00 4.11 H new ATOM 0 HE ARG A 60 27.608 2.381 2.612 1.00 4.48 H new ATOM 0 HH11 ARG A 60 30.937 1.250 2.970 1.00 5.79 H new ATOM 0 HH12 ARG A 60 31.212 2.174 4.450 1.00 5.79 H new ATOM 0 HH21 ARG A 60 27.974 3.562 4.512 1.00 5.97 H new ATOM 0 HH22 ARG A 60 29.543 3.476 5.318 1.00 5.97 H new ATOM 913 N GLY A 61 24.499 -0.328 2.741 1.00 1.94 N ATOM 914 CA GLY A 61 23.124 -0.472 3.184 1.00 1.93 C ATOM 915 C GLY A 61 22.949 -1.581 4.201 1.00 1.61 C ATOM 916 O GLY A 61 23.919 -2.057 4.795 1.00 1.76 O ATOM 0 H GLY A 61 25.033 0.393 3.227 1.00 1.94 H new ATOM 0 HA2 GLY A 61 22.786 0.469 3.618 1.00 1.93 H new ATOM 0 HA3 GLY A 61 22.488 -0.672 2.322 1.00 1.93 H new ATOM 920 N TYR A 62 21.706 -1.986 4.412 1.00 1.30 N ATOM 921 CA TYR A 62 21.394 -3.052 5.354 1.00 1.07 C ATOM 922 C TYR A 62 21.090 -4.342 4.604 1.00 0.90 C ATOM 923 O TYR A 62 20.660 -4.309 3.450 1.00 0.91 O ATOM 924 CB TYR A 62 20.204 -2.657 6.238 1.00 1.04 C ATOM 925 CG TYR A 62 20.490 -1.474 7.142 1.00 1.31 C ATOM 926 CD1 TYR A 62 20.271 -0.170 6.708 1.00 1.51 C ATOM 927 CD2 TYR A 62 20.981 -1.662 8.430 1.00 1.54 C ATOM 928 CE1 TYR A 62 20.535 0.908 7.530 1.00 1.79 C ATOM 929 CE2 TYR A 62 21.246 -0.586 9.255 1.00 1.83 C ATOM 930 CZ TYR A 62 21.023 0.694 8.801 1.00 1.91 C ATOM 931 OH TYR A 62 21.283 1.766 9.623 1.00 2.22 O ATOM 0 H TYR A 62 20.892 -1.590 3.941 1.00 1.30 H new ATOM 0 HA TYR A 62 22.261 -3.214 5.995 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.351 -2.420 5.602 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.917 -3.512 6.851 1.00 1.04 H new ATOM 0 HD1 TYR A 62 19.889 0.002 5.713 1.00 1.51 H new ATOM 0 HD2 TYR A 62 21.158 -2.665 8.791 1.00 1.54 H new ATOM 0 HE1 TYR A 62 20.360 1.914 7.178 1.00 1.79 H new ATOM 0 HE2 TYR A 62 21.627 -0.749 10.252 1.00 1.83 H new ATOM 0 HH TYR A 62 21.621 1.443 10.485 1.00 2.22 H new ATOM 941 N ALA A 63 21.293 -5.474 5.267 1.00 0.92 N ATOM 942 CA ALA A 63 21.132 -6.778 4.637 1.00 0.91 C ATOM 943 C ALA A 63 19.674 -7.228 4.655 1.00 0.78 C ATOM 944 O ALA A 63 19.373 -8.399 4.885 1.00 0.94 O ATOM 945 CB ALA A 63 22.013 -7.806 5.330 1.00 1.16 C ATOM 0 H ALA A 63 21.571 -5.514 6.247 1.00 0.92 H new ATOM 0 HA ALA A 63 21.440 -6.690 3.595 1.00 0.91 H new ATOM 0 HB1 ALA A 63 21.885 -8.777 4.851 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.057 -7.500 5.256 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.730 -7.879 6.380 1.00 1.16 H new ATOM 951 N HIS A 64 18.772 -6.289 4.419 1.00 0.60 N ATOM 952 CA HIS A 64 17.351 -6.585 4.377 1.00 0.51 C ATOM 953 C HIS A 64 16.700 -5.865 3.206 1.00 0.47 C ATOM 954 O HIS A 64 16.674 -4.632 3.165 1.00 0.48 O ATOM 955 CB HIS A 64 16.656 -6.172 5.681 1.00 0.54 C ATOM 956 CG HIS A 64 17.052 -6.990 6.871 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.500 -8.220 7.155 1.00 0.99 N ATOM 958 CD2 HIS A 64 17.950 -6.749 7.855 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.040 -8.699 8.259 1.00 1.13 C ATOM 960 NE2 HIS A 64 17.923 -7.827 8.705 1.00 1.10 N ATOM 0 H HIS A 64 19.002 -5.309 4.253 1.00 0.60 H new ATOM 0 HA HIS A 64 17.240 -7.662 4.253 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.879 -5.124 5.883 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.577 -6.247 5.545 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.572 -5.872 7.953 1.00 1.01 H new ATOM 0 HE1 HIS A 64 16.800 -9.646 8.720 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.493 -7.936 9.544 1.00 1.10 H new ATOM 969 N PRO A 65 16.201 -6.625 2.223 1.00 0.58 N ATOM 970 CA PRO A 65 15.444 -6.067 1.103 1.00 0.64 C ATOM 971 C PRO A 65 14.157 -5.416 1.585 1.00 0.53 C ATOM 972 O PRO A 65 13.565 -5.853 2.572 1.00 0.54 O ATOM 973 CB PRO A 65 15.125 -7.284 0.227 1.00 0.84 C ATOM 974 CG PRO A 65 16.072 -8.345 0.669 1.00 1.08 C ATOM 975 CD PRO A 65 16.341 -8.084 2.120 1.00 0.77 C ATOM 0 HA PRO A 65 16.000 -5.293 0.573 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.090 -7.601 0.356 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.258 -7.054 -0.830 1.00 0.84 H new ATOM 0 HG2 PRO A 65 15.642 -9.336 0.525 1.00 1.08 H new ATOM 0 HG3 PRO A 65 16.994 -8.310 0.089 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.631 -8.604 2.762 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.337 -8.416 2.412 1.00 0.77 H new ATOM 983 N LEU A 66 13.730 -4.371 0.899 1.00 0.50 N ATOM 984 CA LEU A 66 12.519 -3.671 1.279 1.00 0.44 C ATOM 985 C LEU A 66 11.308 -4.554 1.001 1.00 0.35 C ATOM 986 O LEU A 66 11.036 -4.909 -0.149 1.00 0.37 O ATOM 987 CB LEU A 66 12.428 -2.343 0.522 1.00 0.52 C ATOM 988 CG LEU A 66 11.420 -1.324 1.064 1.00 0.71 C ATOM 989 CD1 LEU A 66 11.776 0.065 0.566 1.00 1.20 C ATOM 990 CD2 LEU A 66 9.999 -1.674 0.647 1.00 1.05 C ATOM 0 H LEU A 66 14.203 -3.990 0.079 1.00 0.50 H new ATOM 0 HA LEU A 66 12.540 -3.449 2.346 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.415 -1.881 0.520 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.175 -2.557 -0.516 1.00 0.52 H new ATOM 0 HG LEU A 66 11.467 -1.347 2.153 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.057 0.786 0.954 1.00 1.20 H new ATOM 0 HD12 LEU A 66 12.776 0.329 0.910 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.751 0.078 -0.524 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.309 -0.932 1.048 1.00 1.05 H new ATOM 0 HD22 LEU A 66 9.931 -1.683 -0.441 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.738 -2.659 1.035 1.00 1.05 H new ATOM 1002 N ASN A 67 10.599 -4.918 2.060 1.00 0.32 N ATOM 1003 CA ASN A 67 9.429 -5.776 1.946 1.00 0.31 C ATOM 1004 C ASN A 67 8.316 -5.241 2.835 1.00 0.30 C ATOM 1005 O ASN A 67 8.256 -5.544 4.033 1.00 0.40 O ATOM 1006 CB ASN A 67 9.767 -7.217 2.343 1.00 0.42 C ATOM 1007 CG ASN A 67 8.652 -8.193 1.998 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.653 -8.800 0.925 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.692 -8.352 2.899 1.00 0.54 N ATOM 0 H ASN A 67 10.816 -4.630 3.014 1.00 0.32 H new ATOM 0 HA ASN A 67 9.099 -5.777 0.907 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.683 -7.524 1.839 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.964 -7.259 3.414 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.921 -8.994 2.715 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.725 -7.832 3.776 1.00 0.54 H new ATOM 1016 N LEU A 68 7.445 -4.439 2.245 1.00 0.26 N ATOM 1017 CA LEU A 68 6.389 -3.771 2.987 1.00 0.24 C ATOM 1018 C LEU A 68 5.016 -4.293 2.583 1.00 0.23 C ATOM 1019 O LEU A 68 4.721 -4.443 1.401 1.00 0.25 O ATOM 1020 CB LEU A 68 6.475 -2.256 2.748 1.00 0.26 C ATOM 1021 CG LEU A 68 5.285 -1.429 3.240 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.119 -1.558 4.741 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.463 0.031 2.859 1.00 0.32 C ATOM 0 H LEU A 68 7.449 -4.234 1.246 1.00 0.26 H new ATOM 0 HA LEU A 68 6.524 -3.981 4.048 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.377 -1.883 3.233 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.594 -2.083 1.678 1.00 0.26 H new ATOM 0 HG LEU A 68 4.385 -1.814 2.761 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.267 -0.961 5.065 1.00 0.31 H new ATOM 0 HD12 LEU A 68 4.949 -2.603 5.000 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.021 -1.203 5.239 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.609 0.607 3.216 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.376 0.417 3.313 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.532 0.118 1.775 1.00 0.32 H new ATOM 1035 N ALA A 69 4.191 -4.585 3.575 1.00 0.24 N ATOM 1036 CA ALA A 69 2.813 -4.980 3.330 1.00 0.25 C ATOM 1037 C ALA A 69 1.858 -3.947 3.913 1.00 0.24 C ATOM 1038 O ALA A 69 1.774 -3.783 5.132 1.00 0.28 O ATOM 1039 CB ALA A 69 2.534 -6.354 3.917 1.00 0.30 C ATOM 0 H ALA A 69 4.452 -4.556 4.561 1.00 0.24 H new ATOM 0 HA ALA A 69 2.656 -5.033 2.253 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.498 -6.629 3.722 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.197 -7.087 3.458 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.707 -6.332 4.993 1.00 0.30 H new ATOM 1045 N LEU A 70 1.163 -3.240 3.038 1.00 0.22 N ATOM 1046 CA LEU A 70 0.225 -2.205 3.453 1.00 0.22 C ATOM 1047 C LEU A 70 -1.176 -2.777 3.608 1.00 0.23 C ATOM 1048 O LEU A 70 -1.718 -3.361 2.670 1.00 0.28 O ATOM 1049 CB LEU A 70 0.200 -1.073 2.418 1.00 0.23 C ATOM 1050 CG LEU A 70 1.490 -0.258 2.287 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.421 0.642 1.070 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.729 0.574 3.535 1.00 0.25 C ATOM 0 H LEU A 70 1.230 -3.364 2.028 1.00 0.22 H new ATOM 0 HA LEU A 70 0.555 -1.814 4.416 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.036 -1.502 1.444 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.613 -0.392 2.672 1.00 0.23 H new ATOM 0 HG LEU A 70 2.322 -0.952 2.169 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.344 1.216 0.989 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.292 0.034 0.175 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.577 1.325 1.170 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.650 1.145 3.421 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.894 1.259 3.681 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.815 -0.084 4.400 1.00 0.25 H new ATOM 1064 N THR A 71 -1.761 -2.612 4.789 1.00 0.21 N ATOM 1065 CA THR A 71 -3.129 -3.044 5.026 1.00 0.23 C ATOM 1066 C THR A 71 -3.938 -1.884 5.596 1.00 0.22 C ATOM 1067 O THR A 71 -3.389 -1.026 6.293 1.00 0.21 O ATOM 1068 CB THR A 71 -3.187 -4.242 6.003 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.587 -3.888 7.255 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.470 -5.456 5.432 1.00 0.52 C ATOM 0 H THR A 71 -1.308 -2.182 5.595 1.00 0.21 H new ATOM 0 HA THR A 71 -3.551 -3.365 4.073 1.00 0.23 H new ATOM 0 HB THR A 71 -4.237 -4.495 6.154 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.723 -3.454 7.093 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.529 -6.281 6.142 1.00 0.52 H new ATOM 0 HG22 THR A 71 -2.942 -5.750 4.495 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.424 -5.208 5.249 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.233 -1.857 5.317 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.072 -0.745 5.742 1.00 0.27 C ATOM 1080 C TRP A 72 -7.304 -1.229 6.490 1.00 0.28 C ATOM 1081 O TRP A 72 -7.756 -2.366 6.317 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.486 0.107 4.537 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.360 0.907 3.954 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -4.909 2.122 4.389 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.544 0.558 2.829 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -3.866 2.545 3.606 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.623 1.606 2.642 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.503 -0.538 1.963 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.674 1.589 1.626 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.559 -0.553 0.953 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.655 0.506 0.793 1.00 0.31 C ATOM 0 H TRP A 72 -5.724 -2.587 4.801 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.484 -0.132 6.425 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.896 -0.545 3.765 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.284 0.785 4.839 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.315 2.669 5.227 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.354 3.419 3.724 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.196 -1.358 2.081 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -1.976 2.403 1.500 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.518 -1.394 0.277 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.928 0.465 -0.005 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.823 -0.349 7.335 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.010 -0.619 8.133 1.00 0.35 C ATOM 1104 C ASN A 73 -10.228 -0.830 7.244 1.00 0.31 C ATOM 1105 O ASN A 73 -10.503 -0.035 6.346 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.258 0.546 9.093 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.174 0.658 10.149 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.635 -0.349 10.609 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -7.828 1.880 10.524 1.00 0.94 N ATOM 0 H ASN A 73 -7.429 0.579 7.487 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.844 -1.533 8.703 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.310 1.476 8.527 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.225 0.415 9.579 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.091 2.011 11.217 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.298 2.690 10.120 1.00 0.94 H new ATOM 1116 N THR A 74 -10.953 -1.910 7.515 1.00 0.36 N ATOM 1117 CA THR A 74 -12.096 -2.313 6.706 1.00 0.38 C ATOM 1118 C THR A 74 -13.189 -1.242 6.689 1.00 0.37 C ATOM 1119 O THR A 74 -13.938 -1.131 5.720 1.00 0.38 O ATOM 1120 CB THR A 74 -12.683 -3.637 7.226 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.616 -4.544 7.537 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.604 -4.275 6.196 1.00 0.71 C ATOM 0 H THR A 74 -10.764 -2.530 8.302 1.00 0.36 H new ATOM 0 HA THR A 74 -11.736 -2.447 5.686 1.00 0.38 H new ATOM 0 HB THR A 74 -13.267 -3.423 8.121 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.990 -5.387 7.870 1.00 0.74 H new ATOM 0 HG21 THR A 74 -14.003 -5.209 6.593 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.426 -3.595 5.973 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.044 -4.479 5.284 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.270 -0.453 7.759 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.230 0.649 7.822 1.00 0.45 C ATOM 1132 C ASP A 75 -13.931 1.662 6.730 1.00 0.40 C ATOM 1133 O ASP A 75 -14.835 2.162 6.063 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.189 1.347 9.186 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.636 0.453 10.322 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.817 0.043 10.336 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -13.805 0.160 11.212 1.00 1.98 O ATOM 0 H ASP A 75 -12.687 -0.555 8.590 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.226 0.231 7.677 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.174 1.692 9.381 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.826 2.231 9.155 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.651 1.974 6.579 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.188 2.854 5.516 1.00 0.44 C ATOM 1144 C GLU A 76 -12.570 2.314 4.144 1.00 0.38 C ATOM 1145 O GLU A 76 -13.034 3.065 3.290 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.677 3.047 5.604 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.245 3.877 6.800 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.671 5.325 6.678 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -11.888 5.594 6.601 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -9.791 6.209 6.657 1.00 1.25 O ATOM 0 H GLU A 76 -11.909 1.626 7.186 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.677 3.820 5.647 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.196 2.070 5.656 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.326 3.528 4.691 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.671 3.451 7.708 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.161 3.827 6.902 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.383 1.014 3.942 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.759 0.374 2.681 1.00 0.34 C ATOM 1159 C ILE A 77 -14.252 0.566 2.398 1.00 0.34 C ATOM 1160 O ILE A 77 -14.640 0.948 1.293 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.415 -1.136 2.688 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.904 -1.342 2.888 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.881 -1.801 1.397 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.467 -2.795 2.834 1.00 0.40 C ATOM 0 H ILE A 77 -11.975 0.382 4.631 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.183 0.853 1.889 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.940 -1.604 3.521 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.367 -0.783 2.122 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.615 -0.922 3.851 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.630 -2.861 1.423 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.960 -1.686 1.298 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -12.387 -1.331 0.547 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.389 -2.857 2.984 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.975 -3.357 3.618 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.723 -3.216 1.862 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.072 0.327 3.415 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.518 0.548 3.334 1.00 0.37 C ATOM 1178 C GLU A 78 -16.812 1.993 2.930 1.00 0.38 C ATOM 1179 O GLU A 78 -17.628 2.264 2.046 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.145 0.261 4.705 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.654 0.442 4.762 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.409 -0.781 4.294 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.508 -1.761 5.061 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.905 -0.768 3.146 1.00 2.15 O ATOM 0 H GLU A 78 -14.758 -0.025 4.319 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.942 -0.118 2.583 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.904 -0.762 4.993 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.685 0.917 5.444 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -18.949 0.676 5.785 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -18.936 1.296 4.146 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.121 2.910 3.588 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.310 4.338 3.391 1.00 0.45 C ATOM 1193 C ARG A 79 -15.866 4.783 1.994 1.00 0.42 C ATOM 1194 O ARG A 79 -16.374 5.770 1.463 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.546 5.093 4.481 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.847 6.580 4.553 1.00 1.06 C ATOM 1197 CD ARG A 79 -15.319 7.175 5.849 1.00 1.60 C ATOM 1198 NE ARG A 79 -16.027 6.652 7.016 1.00 2.14 N ATOM 1199 CZ ARG A 79 -15.433 6.172 8.112 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -14.111 6.051 8.168 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -16.172 5.780 9.143 1.00 3.96 N ATOM 0 H ARG A 79 -15.407 2.682 4.280 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.373 4.567 3.465 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.777 4.642 5.446 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.477 4.960 4.315 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.394 7.089 3.702 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.923 6.742 4.485 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -14.255 6.957 5.942 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -15.421 8.260 5.819 1.00 1.60 H new ATOM 0 HE ARG A 79 -17.047 6.654 6.992 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -13.539 6.326 7.369 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -13.668 5.683 9.010 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -17.189 5.846 9.096 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -15.723 5.413 9.982 1.00 3.96 H new ATOM 1215 N LEU A 80 -14.915 4.062 1.404 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.425 4.391 0.062 1.00 0.44 C ATOM 1217 C LEU A 80 -15.503 4.169 -0.995 1.00 0.47 C ATOM 1218 O LEU A 80 -15.387 4.651 -2.121 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.186 3.562 -0.290 1.00 0.48 C ATOM 1220 CG LEU A 80 -11.920 3.886 0.508 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.761 3.033 0.020 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.566 5.366 0.406 1.00 0.55 C ATOM 0 H LEU A 80 -14.468 3.250 1.829 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.156 5.447 0.070 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.424 2.508 -0.146 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -12.970 3.698 -1.350 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.114 3.658 1.556 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -9.866 3.272 0.595 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.005 1.979 0.150 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.579 3.236 -1.035 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.663 5.565 0.983 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.395 5.628 -0.638 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.387 5.965 0.800 1.00 0.55 H new ATOM 1234 N MET A 81 -16.551 3.443 -0.628 1.00 0.49 N ATOM 1235 CA MET A 81 -17.657 3.185 -1.544 1.00 0.57 C ATOM 1236 C MET A 81 -18.557 4.412 -1.654 1.00 0.53 C ATOM 1237 O MET A 81 -19.408 4.494 -2.538 1.00 0.61 O ATOM 1238 CB MET A 81 -18.482 1.986 -1.070 1.00 0.67 C ATOM 1239 CG MET A 81 -17.708 0.676 -1.034 1.00 0.79 C ATOM 1240 SD MET A 81 -18.706 -0.698 -0.422 1.00 1.85 S ATOM 1241 CE MET A 81 -20.116 -0.610 -1.524 1.00 2.59 C ATOM 0 H MET A 81 -16.659 3.023 0.295 1.00 0.49 H new ATOM 0 HA MET A 81 -17.237 2.961 -2.524 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.868 2.195 -0.072 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.344 1.869 -1.727 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.349 0.442 -2.036 1.00 0.79 H new ATOM 0 HG3 MET A 81 -16.829 0.794 -0.400 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.708 -1.521 -1.431 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.730 0.251 -1.261 1.00 2.59 H new ATOM 0 HE3 MET A 81 -19.768 -0.507 -2.552 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.357 5.362 -0.752 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.172 6.565 -0.711 1.00 0.48 C ATOM 1253 C GLU A 82 -18.502 7.708 -1.475 1.00 0.43 C ATOM 1254 O GLU A 82 -17.290 7.672 -1.710 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.428 6.978 0.744 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.244 5.966 1.535 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.620 5.746 0.947 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.438 6.689 0.974 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -21.890 4.638 0.442 1.00 2.34 O ATOM 0 H GLU A 82 -17.633 5.321 -0.035 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.125 6.348 -1.193 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.471 7.129 1.243 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.947 7.937 0.754 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.709 5.017 1.565 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.343 6.309 2.565 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.279 8.714 -1.863 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.754 9.842 -2.635 1.00 0.61 C ATOM 1268 C ALA A 83 -17.610 10.545 -1.899 1.00 0.55 C ATOM 1269 O ALA A 83 -16.537 10.777 -2.468 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.871 10.830 -2.953 1.00 0.79 C ATOM 0 H ALA A 83 -20.276 8.774 -1.657 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.352 9.449 -3.569 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.467 11.664 -3.527 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.645 10.329 -3.535 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.301 11.204 -2.024 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.838 10.850 -0.624 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.844 11.542 0.200 1.00 0.61 C ATOM 1278 C ASP A 84 -15.632 10.657 0.448 1.00 0.49 C ATOM 1279 O ASP A 84 -14.550 11.141 0.785 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.448 11.974 1.543 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.435 13.116 1.407 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.639 12.851 1.196 1.00 1.76 O ATOM 1283 OD2 ASP A 84 -18.015 14.286 1.514 1.00 1.47 O ATOM 0 H ASP A 84 -18.705 10.629 -0.135 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.528 12.430 -0.347 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.948 11.121 2.002 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.645 12.273 2.217 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.814 9.360 0.262 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.731 8.427 0.468 1.00 0.41 C ATOM 1290 C GLY A 85 -13.690 8.544 -0.621 1.00 0.38 C ATOM 1291 O GLY A 85 -12.497 8.657 -0.340 1.00 0.39 O ATOM 0 H GLY A 85 -16.695 8.937 -0.029 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.268 8.612 1.437 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.124 7.410 0.491 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.147 8.525 -1.871 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.265 8.704 -3.018 1.00 0.46 C ATOM 1297 C ALA A 86 -12.517 10.032 -2.945 1.00 0.45 C ATOM 1298 O ALA A 86 -11.357 10.122 -3.346 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.058 8.621 -4.312 1.00 0.57 C ATOM 0 H ALA A 86 -15.128 8.387 -2.114 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.528 7.901 -2.999 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.386 8.756 -5.160 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -14.539 7.645 -4.382 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -14.819 9.402 -4.323 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.183 11.057 -2.424 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.564 12.367 -2.268 1.00 0.53 C ATOM 1307 C ALA A 87 -11.347 12.295 -1.347 1.00 0.48 C ATOM 1308 O ALA A 87 -10.351 12.991 -1.559 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.575 13.370 -1.736 1.00 0.63 C ATOM 0 H ALA A 87 -14.150 11.006 -2.103 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.224 12.699 -3.249 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.098 14.344 -1.625 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.408 13.452 -2.434 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -13.945 13.035 -0.767 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.419 11.443 -0.332 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.289 11.252 0.571 1.00 0.48 C ATOM 1317 C ARG A 88 -9.177 10.471 -0.113 1.00 0.40 C ATOM 1318 O ARG A 88 -8.001 10.664 0.185 1.00 0.42 O ATOM 1319 CB ARG A 88 -10.709 10.534 1.847 1.00 0.56 C ATOM 1320 CG ARG A 88 -11.554 11.382 2.776 1.00 0.96 C ATOM 1321 CD ARG A 88 -11.698 10.714 4.128 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.252 9.367 4.007 1.00 1.91 N ATOM 1323 CZ ARG A 88 -11.815 8.316 4.697 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -10.834 8.450 5.580 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -12.362 7.125 4.506 1.00 3.71 N ATOM 0 H ARG A 88 -12.239 10.878 -0.114 1.00 0.45 H new ATOM 0 HA ARG A 88 -9.919 12.242 0.839 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.267 9.637 1.581 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -9.816 10.207 2.380 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -11.097 12.364 2.897 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -12.539 11.541 2.337 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -10.724 10.665 4.616 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -12.344 11.318 4.766 1.00 1.41 H new ATOM 0 HE ARG A 88 -13.021 9.223 3.353 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -10.408 9.364 5.735 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -10.505 7.639 6.104 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -13.118 7.013 3.830 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -12.027 6.319 5.035 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.556 9.587 -1.032 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.583 8.817 -1.799 1.00 0.34 C ATOM 1341 C PHE A 89 -7.683 9.757 -2.592 1.00 0.33 C ATOM 1342 O PHE A 89 -6.471 9.556 -2.664 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.292 7.826 -2.735 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.359 6.968 -3.548 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.487 6.086 -2.928 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.354 7.042 -4.933 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.634 5.299 -3.669 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.501 6.254 -5.680 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.639 5.382 -5.048 1.00 0.58 C ATOM 0 H PHE A 89 -10.529 9.387 -1.263 1.00 0.35 H new ATOM 0 HA PHE A 89 -7.966 8.244 -1.107 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -9.936 7.179 -2.140 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -9.939 8.383 -3.413 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -7.477 6.015 -1.850 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.025 7.724 -5.433 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -5.961 4.616 -3.172 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.509 6.320 -6.758 1.00 0.54 H new ATOM 0 HZ PHE A 89 -5.970 4.766 -5.630 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.278 10.805 -3.154 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.516 11.815 -3.875 1.00 0.39 C ATOM 1361 C GLU A 90 -6.586 12.559 -2.924 1.00 0.38 C ATOM 1362 O GLU A 90 -5.435 12.851 -3.264 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.451 12.808 -4.570 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.234 12.208 -5.725 1.00 0.70 C ATOM 1365 CD GLU A 90 -8.334 11.559 -6.757 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -7.603 12.291 -7.461 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -8.344 10.321 -6.861 1.00 2.10 O ATOM 0 H GLU A 90 -9.283 10.975 -3.123 1.00 0.35 H new ATOM 0 HA GLU A 90 -6.918 11.309 -4.634 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.152 13.207 -3.837 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -7.863 13.648 -4.939 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -9.934 11.467 -5.340 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -9.827 12.988 -6.203 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.093 12.847 -1.730 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.317 13.524 -0.697 1.00 0.44 C ATOM 1376 C ARG A 91 -5.107 12.681 -0.303 1.00 0.37 C ATOM 1377 O ARG A 91 -4.030 13.206 -0.022 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.193 13.774 0.535 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.521 14.608 1.616 1.00 0.73 C ATOM 1380 CD ARG A 91 -7.280 14.528 2.934 1.00 1.31 C ATOM 1381 NE ARG A 91 -8.688 14.889 2.782 1.00 2.11 N ATOM 1382 CZ ARG A 91 -9.621 14.677 3.711 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -9.304 14.119 4.876 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -10.876 15.027 3.474 1.00 4.06 N ATOM 0 H ARG A 91 -8.048 12.619 -1.452 1.00 0.39 H new ATOM 0 HA ARG A 91 -5.969 14.478 -1.093 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.109 14.275 0.221 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.485 12.814 0.961 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -5.498 14.261 1.762 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.462 15.647 1.291 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -7.207 13.516 3.333 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.813 15.192 3.661 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.976 15.332 1.909 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -8.339 13.849 5.066 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -10.026 13.962 5.579 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -11.126 15.457 2.584 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -11.593 14.867 4.182 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.291 11.367 -0.316 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.253 10.441 0.103 1.00 0.32 C ATOM 1400 C TYR A 92 -3.192 10.305 -0.985 1.00 0.30 C ATOM 1401 O TYR A 92 -2.007 10.155 -0.693 1.00 0.32 O ATOM 1402 CB TYR A 92 -4.874 9.077 0.425 1.00 0.34 C ATOM 1403 CG TYR A 92 -3.909 8.069 1.015 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.428 8.215 2.311 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.475 6.977 0.274 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.540 7.302 2.850 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.588 6.059 0.808 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.148 6.209 2.103 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.239 5.318 2.630 1.00 0.64 O ATOM 0 H TYR A 92 -6.157 10.918 -0.615 1.00 0.33 H new ATOM 0 HA TYR A 92 -3.772 10.828 1.001 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -5.698 9.223 1.123 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.300 8.661 -0.488 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -3.753 9.055 2.907 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -3.836 6.842 -0.735 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.155 7.443 3.849 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.242 5.228 0.211 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.067 4.604 1.981 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.625 10.379 -2.242 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.709 10.286 -3.376 1.00 0.34 C ATOM 1421 C LEU A 93 -1.729 11.454 -3.374 1.00 0.35 C ATOM 1422 O LEU A 93 -0.528 11.274 -3.573 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.480 10.260 -4.703 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.425 9.070 -4.901 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.128 9.173 -6.245 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.672 7.751 -4.797 1.00 0.44 C ATOM 0 H LEU A 93 -4.604 10.503 -2.500 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.151 9.355 -3.276 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.061 11.179 -4.782 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.759 10.268 -5.521 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.173 9.096 -4.109 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.796 8.321 -6.372 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.706 10.096 -6.284 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.387 9.175 -7.044 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.366 6.923 -4.941 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -2.898 7.713 -5.563 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.212 7.671 -3.812 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.247 12.651 -3.131 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.422 13.853 -3.092 1.00 0.39 C ATOM 1440 C ALA A 94 -0.486 13.857 -1.884 1.00 0.37 C ATOM 1441 O ALA A 94 0.497 14.598 -1.845 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.305 15.093 -3.082 1.00 0.43 C ATOM 0 H ALA A 94 -3.238 12.816 -2.957 1.00 0.36 H new ATOM 0 HA ALA A 94 -0.802 13.861 -3.988 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -1.679 15.985 -3.053 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -2.919 15.110 -3.982 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -2.950 15.073 -2.203 1.00 0.43 H new ATOM 1448 N ALA A 95 -0.793 13.033 -0.892 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.002 12.991 0.325 1.00 0.35 C ATOM 1450 C ALA A 95 0.841 11.726 0.406 1.00 0.33 C ATOM 1451 O ALA A 95 1.494 11.481 1.418 1.00 0.33 O ATOM 1452 CB ALA A 95 -0.904 13.100 1.539 1.00 0.40 C ATOM 0 H ALA A 95 -1.582 12.387 -0.908 1.00 0.33 H new ATOM 0 HA ALA A 95 0.680 13.841 0.307 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.300 13.067 2.445 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.452 14.042 1.502 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.610 12.269 1.544 1.00 0.40 H new ATOM 1458 N LEU A 96 0.826 10.929 -0.659 1.00 0.35 N ATOM 1459 CA LEU A 96 1.634 9.707 -0.719 1.00 0.36 C ATOM 1460 C LEU A 96 3.104 9.958 -0.353 1.00 0.35 C ATOM 1461 O LEU A 96 3.651 9.234 0.473 1.00 0.34 O ATOM 1462 CB LEU A 96 1.540 9.042 -2.097 1.00 0.44 C ATOM 1463 CG LEU A 96 0.216 8.347 -2.405 1.00 0.49 C ATOM 1464 CD1 LEU A 96 0.165 7.930 -3.866 1.00 0.56 C ATOM 1465 CD2 LEU A 96 0.018 7.137 -1.503 1.00 0.49 C ATOM 0 H LEU A 96 0.265 11.104 -1.493 1.00 0.35 H new ATOM 0 HA LEU A 96 1.219 9.029 0.027 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.718 9.800 -2.859 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.343 8.310 -2.183 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.592 9.053 -2.213 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.785 7.436 -4.070 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.259 8.812 -4.500 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.984 7.243 -4.077 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.932 6.658 -1.740 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.831 6.429 -1.661 1.00 0.49 H new ATOM 0 HD23 LEU A 96 0.012 7.457 -0.461 1.00 0.49 H new ATOM 1477 N PRO A 97 3.775 10.978 -0.944 1.00 0.37 N ATOM 1478 CA PRO A 97 5.172 11.296 -0.605 1.00 0.39 C ATOM 1479 C PRO A 97 5.359 11.624 0.876 1.00 0.35 C ATOM 1480 O PRO A 97 6.395 11.314 1.464 1.00 0.36 O ATOM 1481 CB PRO A 97 5.490 12.525 -1.469 1.00 0.46 C ATOM 1482 CG PRO A 97 4.162 13.072 -1.870 1.00 0.46 C ATOM 1483 CD PRO A 97 3.260 11.882 -1.990 1.00 0.42 C ATOM 0 HA PRO A 97 5.830 10.447 -0.792 1.00 0.39 H new ATOM 0 HB2 PRO A 97 6.067 13.261 -0.910 1.00 0.46 H new ATOM 0 HB3 PRO A 97 6.083 12.251 -2.341 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.787 13.776 -1.127 1.00 0.46 H new ATOM 0 HG3 PRO A 97 4.229 13.611 -2.815 1.00 0.46 H new ATOM 0 HD2 PRO A 97 2.216 12.146 -1.819 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.316 11.429 -2.980 1.00 0.42 H new ATOM 1491 N ARG A 98 4.340 12.222 1.484 1.00 0.34 N ATOM 1492 CA ARG A 98 4.417 12.638 2.878 1.00 0.35 C ATOM 1493 C ARG A 98 4.213 11.446 3.806 1.00 0.31 C ATOM 1494 O ARG A 98 4.869 11.323 4.841 1.00 0.33 O ATOM 1495 CB ARG A 98 3.372 13.719 3.169 1.00 0.44 C ATOM 1496 CG ARG A 98 3.609 15.015 2.410 1.00 1.33 C ATOM 1497 CD ARG A 98 2.479 16.009 2.625 1.00 1.71 C ATOM 1498 NE ARG A 98 2.317 16.376 4.033 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.281 17.073 4.503 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.319 17.478 3.678 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.208 17.364 5.796 1.00 4.22 N ATOM 0 H ARG A 98 3.450 12.429 1.031 1.00 0.34 H new ATOM 0 HA ARG A 98 5.409 13.051 3.059 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.384 13.335 2.916 1.00 0.44 H new ATOM 0 HB3 ARG A 98 3.368 13.930 4.238 1.00 0.44 H new ATOM 0 HG2 ARG A 98 4.550 15.459 2.734 1.00 1.33 H new ATOM 0 HG3 ARG A 98 3.707 14.800 1.346 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.673 16.907 2.039 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.547 15.581 2.255 1.00 1.71 H new ATOM 0 HE ARG A 98 3.037 16.082 4.692 1.00 2.37 H new ATOM 0 HH11 ARG A 98 0.373 17.256 2.684 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.472 18.011 4.040 1.00 3.56 H new ATOM 0 HH21 ARG A 98 1.944 17.055 6.431 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.416 17.897 6.155 1.00 4.22 H new ATOM 1515 N LYS A 99 3.308 10.560 3.416 1.00 0.31 N ATOM 1516 CA LYS A 99 3.028 9.360 4.188 1.00 0.36 C ATOM 1517 C LYS A 99 4.223 8.425 4.107 1.00 0.32 C ATOM 1518 O LYS A 99 4.586 7.762 5.078 1.00 0.32 O ATOM 1519 CB LYS A 99 1.783 8.663 3.638 1.00 0.47 C ATOM 1520 CG LYS A 99 0.861 8.105 4.707 1.00 0.86 C ATOM 1521 CD LYS A 99 0.219 9.218 5.518 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.828 8.682 6.476 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.462 9.772 7.264 1.00 1.44 N ATOM 0 H LYS A 99 2.753 10.651 2.565 1.00 0.31 H new ATOM 0 HA LYS A 99 2.846 9.631 5.228 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.225 9.371 3.025 1.00 0.47 H new ATOM 0 HB3 LYS A 99 2.095 7.850 2.982 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.085 7.498 4.240 1.00 0.86 H new ATOM 0 HG3 LYS A 99 1.424 7.448 5.369 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.988 9.749 6.079 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.241 9.941 4.844 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.594 8.146 5.915 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -0.367 7.964 7.154 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -1.144 9.716 8.253 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.190 10.693 6.865 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -2.496 9.671 7.227 1.00 1.44 H new ATOM 1537 N LEU A 100 4.837 8.405 2.931 1.00 0.33 N ATOM 1538 CA LEU A 100 6.012 7.597 2.675 1.00 0.35 C ATOM 1539 C LEU A 100 7.146 8.010 3.603 1.00 0.34 C ATOM 1540 O LEU A 100 7.754 7.173 4.268 1.00 0.35 O ATOM 1541 CB LEU A 100 6.447 7.769 1.218 1.00 0.42 C ATOM 1542 CG LEU A 100 7.487 6.767 0.712 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.846 5.414 0.455 1.00 0.62 C ATOM 1544 CD2 LEU A 100 8.158 7.289 -0.548 1.00 1.58 C ATOM 0 H LEU A 100 4.529 8.953 2.128 1.00 0.33 H new ATOM 0 HA LEU A 100 5.770 6.550 2.859 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.563 7.699 0.584 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.849 8.775 1.095 1.00 0.42 H new ATOM 0 HG LEU A 100 8.248 6.643 1.482 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.602 4.716 0.096 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.412 5.035 1.381 1.00 0.62 H new ATOM 0 HD13 LEU A 100 6.063 5.519 -0.296 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.895 6.564 -0.895 1.00 1.58 H new ATOM 0 HD22 LEU A 100 7.407 7.442 -1.323 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.654 8.235 -0.331 1.00 1.58 H new ATOM 1556 N ALA A 101 7.402 9.317 3.656 1.00 0.33 N ATOM 1557 CA ALA A 101 8.467 9.868 4.485 1.00 0.36 C ATOM 1558 C ALA A 101 8.260 9.516 5.952 1.00 0.33 C ATOM 1559 O ALA A 101 9.219 9.267 6.684 1.00 0.35 O ATOM 1560 CB ALA A 101 8.534 11.377 4.315 1.00 0.41 C ATOM 0 H ALA A 101 6.880 10.017 3.129 1.00 0.33 H new ATOM 0 HA ALA A 101 9.410 9.428 4.161 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.333 11.778 4.939 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.734 11.617 3.271 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.584 11.819 4.614 1.00 0.41 H new ATOM 1566 N ALA A 102 7.000 9.487 6.371 1.00 0.32 N ATOM 1567 CA ALA A 102 6.661 9.161 7.744 1.00 0.33 C ATOM 1568 C ALA A 102 7.066 7.729 8.076 1.00 0.32 C ATOM 1569 O ALA A 102 7.674 7.470 9.115 1.00 0.35 O ATOM 1570 CB ALA A 102 5.173 9.367 7.981 1.00 0.35 C ATOM 0 H ALA A 102 6.197 9.687 5.775 1.00 0.32 H new ATOM 0 HA ALA A 102 7.214 9.829 8.404 1.00 0.33 H new ATOM 0 HB1 ALA A 102 4.931 9.119 9.015 1.00 0.35 H new ATOM 0 HB2 ALA A 102 4.914 10.408 7.788 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.605 8.722 7.311 1.00 0.35 H new ATOM 1576 N TRP A 103 6.750 6.805 7.173 1.00 0.30 N ATOM 1577 CA TRP A 103 7.063 5.394 7.379 1.00 0.32 C ATOM 1578 C TRP A 103 8.569 5.158 7.354 1.00 0.32 C ATOM 1579 O TRP A 103 9.087 4.330 8.111 1.00 0.34 O ATOM 1580 CB TRP A 103 6.383 4.524 6.315 1.00 0.33 C ATOM 1581 CG TRP A 103 4.887 4.583 6.353 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.089 4.671 7.459 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.008 4.536 5.226 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.766 4.695 7.083 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.692 4.614 5.718 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.208 4.444 3.849 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.584 4.599 4.877 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 3.109 4.428 3.015 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.810 4.508 3.531 1.00 0.44 C ATOM 0 H TRP A 103 6.278 7.008 6.292 1.00 0.30 H new ATOM 0 HA TRP A 103 6.682 5.112 8.361 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.725 4.838 5.329 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.700 3.490 6.448 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.445 4.715 8.478 1.00 0.36 H new ATOM 0 HE1 TRP A 103 1.970 4.762 7.717 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.207 4.386 3.442 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.581 4.657 5.273 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 3.253 4.353 1.947 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.970 4.498 2.853 1.00 0.44 H new ATOM 1600 N GLU A 104 9.269 5.889 6.493 1.00 0.34 N ATOM 1601 CA GLU A 104 10.718 5.760 6.381 1.00 0.38 C ATOM 1602 C GLU A 104 11.389 6.133 7.697 1.00 0.39 C ATOM 1603 O GLU A 104 12.204 5.374 8.227 1.00 0.41 O ATOM 1604 CB GLU A 104 11.265 6.633 5.245 1.00 0.42 C ATOM 1605 CG GLU A 104 10.696 6.296 3.874 1.00 0.45 C ATOM 1606 CD GLU A 104 11.476 6.936 2.743 1.00 0.51 C ATOM 1607 OE1 GLU A 104 11.178 8.096 2.389 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.402 6.286 2.208 1.00 0.52 O ATOM 0 H GLU A 104 8.857 6.577 5.863 1.00 0.34 H new ATOM 0 HA GLU A 104 10.944 4.719 6.151 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.051 7.678 5.469 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.350 6.530 5.212 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.694 5.214 3.742 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.658 6.625 3.825 1.00 0.45 H new ATOM 1615 N ASN A 105 11.019 7.292 8.227 1.00 0.41 N ATOM 1616 CA ASN A 105 11.581 7.786 9.480 1.00 0.47 C ATOM 1617 C ASN A 105 11.209 6.877 10.650 1.00 0.46 C ATOM 1618 O ASN A 105 12.010 6.666 11.561 1.00 0.50 O ATOM 1619 CB ASN A 105 11.085 9.211 9.761 1.00 0.53 C ATOM 1620 CG ASN A 105 11.680 9.810 11.029 1.00 1.24 C ATOM 1621 OD1 ASN A 105 10.997 10.516 11.771 1.00 2.01 O ATOM 1622 ND2 ASN A 105 12.960 9.565 11.276 1.00 1.70 N ATOM 0 H ASN A 105 10.327 7.912 7.806 1.00 0.41 H new ATOM 0 HA ASN A 105 12.666 7.792 9.377 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.333 9.850 8.913 1.00 0.53 H new ATOM 0 HB3 ASN A 105 9.998 9.201 9.846 1.00 0.53 H new ATOM 0 HD21 ASN A 105 13.406 9.966 12.101 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.498 8.976 10.641 1.00 1.70 H new ATOM 1629 N ALA A 106 10.003 6.325 10.614 1.00 0.45 N ATOM 1630 CA ALA A 106 9.487 5.557 11.738 1.00 0.48 C ATOM 1631 C ALA A 106 10.058 4.142 11.798 1.00 0.50 C ATOM 1632 O ALA A 106 10.490 3.690 12.857 1.00 0.66 O ATOM 1633 CB ALA A 106 7.967 5.505 11.687 1.00 0.52 C ATOM 0 H ALA A 106 9.366 6.395 9.821 1.00 0.45 H new ATOM 0 HA ALA A 106 9.807 6.070 12.645 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.594 4.928 12.533 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.567 6.518 11.734 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.650 5.032 10.757 1.00 0.52 H new ATOM 1639 N ARG A 107 10.067 3.439 10.672 1.00 0.43 N ATOM 1640 CA ARG A 107 10.439 2.025 10.685 1.00 0.47 C ATOM 1641 C ARG A 107 11.884 1.778 10.268 1.00 0.48 C ATOM 1642 O ARG A 107 12.370 0.650 10.359 1.00 0.56 O ATOM 1643 CB ARG A 107 9.501 1.202 9.794 1.00 0.51 C ATOM 1644 CG ARG A 107 8.052 1.171 10.267 1.00 0.59 C ATOM 1645 CD ARG A 107 7.939 0.816 11.747 1.00 0.72 C ATOM 1646 NE ARG A 107 8.767 -0.336 12.111 1.00 0.81 N ATOM 1647 CZ ARG A 107 8.958 -0.741 13.365 1.00 1.10 C ATOM 1648 NH1 ARG A 107 8.328 -0.135 14.367 1.00 1.35 N ATOM 1649 NH2 ARG A 107 9.776 -1.754 13.618 1.00 1.26 N ATOM 0 H ARG A 107 9.827 3.813 9.754 1.00 0.43 H new ATOM 0 HA ARG A 107 10.341 1.703 11.722 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.532 1.607 8.782 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.875 0.180 9.740 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.593 2.144 10.092 1.00 0.59 H new ATOM 0 HG3 ARG A 107 7.494 0.444 9.677 1.00 0.59 H new ATOM 0 HD2 ARG A 107 8.235 1.676 12.348 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.898 0.602 11.988 1.00 0.72 H new ATOM 0 HE ARG A 107 9.223 -0.857 11.362 1.00 0.81 H new ATOM 0 HH11 ARG A 107 7.696 0.643 14.176 1.00 1.35 H new ATOM 0 HH12 ARG A 107 8.477 -0.448 15.326 1.00 1.35 H new ATOM 0 HH21 ARG A 107 10.259 -2.223 12.852 1.00 1.26 H new ATOM 0 HH22 ARG A 107 9.922 -2.064 14.579 1.00 1.26 H new ATOM 1663 N GLY A 108 12.573 2.819 9.824 1.00 0.45 N ATOM 1664 CA GLY A 108 13.937 2.643 9.362 1.00 0.49 C ATOM 1665 C GLY A 108 13.975 2.010 7.987 1.00 0.46 C ATOM 1666 O GLY A 108 14.680 1.025 7.756 1.00 0.50 O ATOM 0 H GLY A 108 12.218 3.774 9.775 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.441 3.609 9.334 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.484 2.018 10.068 1.00 0.49 H new ATOM 1670 N VAL A 109 13.219 2.594 7.077 1.00 0.42 N ATOM 1671 CA VAL A 109 13.072 2.065 5.730 1.00 0.41 C ATOM 1672 C VAL A 109 13.522 3.119 4.725 1.00 0.43 C ATOM 1673 O VAL A 109 13.291 4.307 4.936 1.00 0.46 O ATOM 1674 CB VAL A 109 11.603 1.652 5.447 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.441 1.096 4.041 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.117 0.635 6.469 1.00 0.43 C ATOM 0 H VAL A 109 12.689 3.448 7.248 1.00 0.42 H new ATOM 0 HA VAL A 109 13.693 1.174 5.635 1.00 0.41 H new ATOM 0 HB VAL A 109 10.993 2.552 5.530 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.400 0.817 3.878 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.732 1.854 3.314 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.075 0.217 3.922 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.085 0.362 6.248 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.745 -0.255 6.424 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.172 1.068 7.468 1.00 0.43 H new ATOM 1686 N ASP A 110 14.193 2.700 3.661 1.00 0.44 N ATOM 1687 CA ASP A 110 14.651 3.639 2.644 1.00 0.49 C ATOM 1688 C ASP A 110 14.260 3.134 1.261 1.00 0.54 C ATOM 1689 O ASP A 110 14.895 2.227 0.713 1.00 0.57 O ATOM 1690 CB ASP A 110 16.167 3.835 2.725 1.00 0.53 C ATOM 1691 CG ASP A 110 16.642 5.050 1.948 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.327 5.162 0.745 1.00 0.79 O ATOM 1693 OD2 ASP A 110 17.359 5.890 2.533 1.00 0.84 O ATOM 0 H ASP A 110 14.431 1.725 3.479 1.00 0.44 H new ATOM 0 HA ASP A 110 14.174 4.603 2.823 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.461 3.939 3.770 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.666 2.945 2.341 1.00 0.53 H new ATOM 1698 N PHE A 111 13.213 3.726 0.703 1.00 0.60 N ATOM 1699 CA PHE A 111 12.672 3.288 -0.579 1.00 0.68 C ATOM 1700 C PHE A 111 13.613 3.623 -1.733 1.00 0.77 C ATOM 1701 O PHE A 111 13.580 2.973 -2.779 1.00 0.90 O ATOM 1702 CB PHE A 111 11.294 3.913 -0.811 1.00 0.73 C ATOM 1703 CG PHE A 111 10.234 3.389 0.122 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.196 3.792 1.448 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.284 2.482 -0.323 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.231 3.305 2.309 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.318 1.991 0.535 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.292 2.404 1.852 1.00 0.62 C ATOM 0 H PHE A 111 12.718 4.515 1.119 1.00 0.60 H new ATOM 0 HA PHE A 111 12.570 2.203 -0.545 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.369 4.994 -0.693 1.00 0.73 H new ATOM 0 HB3 PHE A 111 10.987 3.725 -1.840 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.930 4.495 1.813 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.299 2.155 -1.352 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.212 3.630 3.339 1.00 0.61 H new ATOM 0 HE2 PHE A 111 7.584 1.285 0.175 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.537 2.022 2.524 1.00 0.62 H new ATOM 1718 N GLY A 112 14.464 4.621 -1.536 1.00 0.76 N ATOM 1719 CA GLY A 112 15.411 4.997 -2.565 1.00 0.84 C ATOM 1720 C GLY A 112 16.627 4.093 -2.579 1.00 0.79 C ATOM 1721 O GLY A 112 17.308 3.967 -3.597 1.00 0.89 O ATOM 0 H GLY A 112 14.515 5.176 -0.682 1.00 0.76 H new ATOM 0 HA2 GLY A 112 14.922 4.960 -3.538 1.00 0.84 H new ATOM 0 HA3 GLY A 112 15.728 6.028 -2.406 1.00 0.84 H new ATOM 1725 N SER A 113 16.902 3.460 -1.446 1.00 0.71 N ATOM 1726 CA SER A 113 18.032 2.553 -1.334 1.00 0.70 C ATOM 1727 C SER A 113 17.589 1.104 -1.522 1.00 0.68 C ATOM 1728 O SER A 113 18.420 0.194 -1.585 1.00 0.72 O ATOM 1729 CB SER A 113 18.706 2.729 0.027 1.00 0.71 C ATOM 1730 OG SER A 113 19.002 4.097 0.268 1.00 1.38 O ATOM 0 H SER A 113 16.355 3.560 -0.591 1.00 0.71 H new ATOM 0 HA SER A 113 18.747 2.792 -2.121 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.054 2.349 0.813 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.623 2.142 0.063 1.00 0.71 H new ATOM 0 HG SER A 113 19.431 4.189 1.144 1.00 1.38 H new ATOM 1736 N ARG A 114 16.268 0.904 -1.596 1.00 0.68 N ATOM 1737 CA ARG A 114 15.672 -0.415 -1.835 1.00 0.75 C ATOM 1738 C ARG A 114 15.995 -1.376 -0.693 1.00 0.68 C ATOM 1739 O ARG A 114 15.921 -2.597 -0.849 1.00 0.72 O ATOM 1740 CB ARG A 114 16.160 -1.006 -3.162 1.00 0.91 C ATOM 1741 CG ARG A 114 15.959 -0.091 -4.362 1.00 1.10 C ATOM 1742 CD ARG A 114 16.457 -0.748 -5.638 1.00 1.31 C ATOM 1743 NE ARG A 114 16.417 0.157 -6.786 1.00 1.48 N ATOM 1744 CZ ARG A 114 15.912 -0.171 -7.976 1.00 1.92 C ATOM 1745 NH1 ARG A 114 15.392 -1.377 -8.172 1.00 2.13 N ATOM 1746 NH2 ARG A 114 15.936 0.705 -8.975 1.00 2.70 N ATOM 0 H ARG A 114 15.582 1.652 -1.492 1.00 0.68 H new ATOM 0 HA ARG A 114 14.591 -0.281 -1.887 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.220 -1.243 -3.073 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.637 -1.945 -3.343 1.00 0.91 H new ATOM 0 HG2 ARG A 114 14.902 0.154 -4.464 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.490 0.847 -4.201 1.00 1.10 H new ATOM 0 HD2 ARG A 114 17.479 -1.096 -5.489 1.00 1.31 H new ATOM 0 HD3 ARG A 114 15.849 -1.627 -5.851 1.00 1.31 H new ATOM 0 HE ARG A 114 16.798 1.096 -6.670 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.378 -2.056 -7.411 1.00 2.13 H new ATOM 0 HH12 ARG A 114 15.007 -1.624 -9.083 1.00 2.13 H new ATOM 0 HH21 ARG A 114 16.341 1.630 -8.832 1.00 2.70 H new ATOM 0 HH22 ARG A 114 15.549 0.452 -9.884 1.00 2.70 H new ATOM 1760 N THR A 115 16.335 -0.817 0.457 1.00 0.60 N ATOM 1761 CA THR A 115 16.736 -1.606 1.607 1.00 0.57 C ATOM 1762 C THR A 115 16.122 -1.047 2.886 1.00 0.52 C ATOM 1763 O THR A 115 15.633 0.088 2.907 1.00 0.53 O ATOM 1764 CB THR A 115 18.273 -1.650 1.738 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.832 -0.386 1.352 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.872 -2.754 0.878 1.00 0.78 C ATOM 0 H THR A 115 16.341 0.190 0.618 1.00 0.60 H new ATOM 0 HA THR A 115 16.371 -2.622 1.456 1.00 0.57 H new ATOM 0 HB THR A 115 18.515 -1.859 2.780 1.00 0.63 H new ATOM 0 HG1 THR A 115 18.793 -0.295 0.377 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.956 -2.758 0.993 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.471 -3.718 1.191 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.619 -2.578 -0.168 1.00 0.78 H new ATOM 1774 N GLN A 116 16.161 -1.830 3.951 1.00 0.50 N ATOM 1775 CA GLN A 116 15.552 -1.434 5.207 1.00 0.51 C ATOM 1776 C GLN A 116 16.311 -2.050 6.372 1.00 0.54 C ATOM 1777 O GLN A 116 16.919 -3.112 6.237 1.00 0.55 O ATOM 1778 CB GLN A 116 14.077 -1.859 5.235 1.00 0.50 C ATOM 1779 CG GLN A 116 13.866 -3.365 5.159 1.00 0.45 C ATOM 1780 CD GLN A 116 12.399 -3.748 5.087 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.579 -3.014 4.537 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.055 -4.899 5.643 1.00 1.00 N ATOM 0 H GLN A 116 16.610 -2.746 3.969 1.00 0.50 H new ATOM 0 HA GLN A 116 15.600 -0.349 5.299 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.619 -1.484 6.150 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.557 -1.387 4.401 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.383 -3.756 4.283 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.318 -3.836 6.032 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.763 -5.481 6.090 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.082 -5.204 5.624 1.00 1.00 H new ATOM 1791 N ALA A 117 16.291 -1.367 7.509 1.00 0.62 N ATOM 1792 CA ALA A 117 16.983 -1.841 8.696 1.00 0.68 C ATOM 1793 C ALA A 117 16.119 -2.827 9.467 1.00 0.68 C ATOM 1794 O ALA A 117 16.593 -3.510 10.374 1.00 0.84 O ATOM 1795 CB ALA A 117 17.368 -0.670 9.585 1.00 0.83 C ATOM 0 H ALA A 117 15.801 -0.481 7.632 1.00 0.62 H new ATOM 0 HA ALA A 117 17.891 -2.355 8.380 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.885 -1.040 10.470 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.026 0.003 9.035 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.469 -0.132 9.888 1.00 0.83 H new ATOM 1801 N ASP A 118 14.850 -2.897 9.096 1.00 0.69 N ATOM 1802 CA ASP A 118 13.904 -3.774 9.771 1.00 0.73 C ATOM 1803 C ASP A 118 13.857 -5.125 9.067 1.00 0.67 C ATOM 1804 O ASP A 118 14.099 -5.218 7.862 1.00 0.67 O ATOM 1805 CB ASP A 118 12.507 -3.147 9.780 1.00 0.81 C ATOM 1806 CG ASP A 118 11.629 -3.718 10.875 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.219 -4.888 10.766 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.349 -2.995 11.859 1.00 1.04 O ATOM 0 H ASP A 118 14.450 -2.356 8.329 1.00 0.69 H new ATOM 0 HA ASP A 118 14.233 -3.914 10.801 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.596 -2.069 9.913 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.031 -3.311 8.813 1.00 0.81 H new ATOM 1813 N ALA A 119 13.553 -6.167 9.828 1.00 0.72 N ATOM 1814 CA ALA A 119 13.503 -7.523 9.301 1.00 0.73 C ATOM 1815 C ALA A 119 12.241 -7.751 8.479 1.00 0.66 C ATOM 1816 O ALA A 119 12.229 -8.581 7.569 1.00 0.73 O ATOM 1817 CB ALA A 119 13.578 -8.529 10.441 1.00 0.91 C ATOM 0 H ALA A 119 13.335 -6.097 10.822 1.00 0.72 H new ATOM 0 HA ALA A 119 14.361 -7.662 8.643 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.540 -9.541 10.037 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.511 -8.391 10.987 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.737 -8.376 11.117 1.00 0.91 H new ATOM 1823 N LEU A 120 11.185 -7.013 8.804 1.00 0.69 N ATOM 1824 CA LEU A 120 9.902 -7.153 8.129 1.00 0.63 C ATOM 1825 C LEU A 120 8.976 -6.015 8.540 1.00 0.57 C ATOM 1826 O LEU A 120 8.744 -5.806 9.728 1.00 0.65 O ATOM 1827 CB LEU A 120 9.257 -8.498 8.480 1.00 0.73 C ATOM 1828 CG LEU A 120 7.873 -8.738 7.877 1.00 0.69 C ATOM 1829 CD1 LEU A 120 7.935 -8.739 6.361 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.291 -10.042 8.389 1.00 1.00 C ATOM 0 H LEU A 120 11.195 -6.305 9.538 1.00 0.69 H new ATOM 0 HA LEU A 120 10.067 -7.114 7.052 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.921 -9.297 8.152 1.00 0.73 H new ATOM 0 HB3 LEU A 120 9.180 -8.573 9.565 1.00 0.73 H new ATOM 0 HG LEU A 120 7.220 -7.922 8.187 1.00 0.69 H new ATOM 0 HD11 LEU A 120 6.938 -8.912 5.956 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.307 -7.776 6.011 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.605 -9.530 6.025 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.306 -10.198 7.950 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.947 -10.867 8.111 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.202 -9.999 9.475 1.00 1.00 H new ATOM 1842 N VAL A 121 8.430 -5.289 7.577 1.00 0.50 N ATOM 1843 CA VAL A 121 7.550 -4.183 7.909 1.00 0.47 C ATOM 1844 C VAL A 121 6.130 -4.425 7.391 1.00 0.39 C ATOM 1845 O VAL A 121 5.831 -4.265 6.207 1.00 0.33 O ATOM 1846 CB VAL A 121 8.118 -2.825 7.419 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.448 -2.852 5.935 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.158 -1.690 7.739 1.00 0.50 C ATOM 0 H VAL A 121 8.577 -5.442 6.579 1.00 0.50 H new ATOM 0 HA VAL A 121 7.495 -4.128 8.996 1.00 0.47 H new ATOM 0 HB VAL A 121 9.050 -2.650 7.956 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.843 -1.882 5.632 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.193 -3.624 5.742 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.545 -3.070 5.365 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.578 -0.748 7.386 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.204 -1.870 7.244 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.003 -1.637 8.817 1.00 0.50 H new ATOM 1858 N LEU A 122 5.271 -4.867 8.295 1.00 0.41 N ATOM 1859 CA LEU A 122 3.864 -5.068 7.992 1.00 0.39 C ATOM 1860 C LEU A 122 3.043 -3.975 8.662 1.00 0.42 C ATOM 1861 O LEU A 122 2.856 -3.987 9.878 1.00 0.73 O ATOM 1862 CB LEU A 122 3.394 -6.442 8.492 1.00 0.50 C ATOM 1863 CG LEU A 122 4.231 -7.643 8.032 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.664 -8.933 8.598 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.293 -7.719 6.516 1.00 0.46 C ATOM 0 H LEU A 122 5.528 -5.096 9.255 1.00 0.41 H new ATOM 0 HA LEU A 122 3.728 -5.025 6.911 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.384 -6.427 9.582 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.365 -6.594 8.165 1.00 0.50 H new ATOM 0 HG LEU A 122 5.245 -7.508 8.408 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.269 -9.775 8.262 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.676 -8.889 9.687 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.639 -9.063 8.252 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.893 -8.580 6.219 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.285 -7.824 6.115 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.746 -6.808 6.124 1.00 0.46 H new ATOM 1877 N LEU A 123 2.572 -3.022 7.877 1.00 0.24 N ATOM 1878 CA LEU A 123 1.828 -1.896 8.421 1.00 0.24 C ATOM 1879 C LEU A 123 0.335 -2.194 8.453 1.00 0.24 C ATOM 1880 O LEU A 123 -0.304 -2.350 7.409 1.00 0.25 O ATOM 1881 CB LEU A 123 2.092 -0.627 7.606 1.00 0.26 C ATOM 1882 CG LEU A 123 3.550 -0.169 7.548 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.677 1.086 6.701 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.104 0.083 8.944 1.00 0.37 C ATOM 0 H LEU A 123 2.690 -3.004 6.864 1.00 0.24 H new ATOM 0 HA LEU A 123 2.171 -1.734 9.443 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.741 -0.792 6.587 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.492 0.182 8.023 1.00 0.26 H new ATOM 0 HG LEU A 123 4.134 -0.967 7.090 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.720 1.400 6.669 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.330 0.879 5.689 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.072 1.881 7.136 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.142 0.407 8.870 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.516 0.858 9.434 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.052 -0.836 9.528 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.208 -2.281 9.657 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.622 -2.527 9.826 1.00 0.28 C ATOM 1898 C GLY A 124 -2.316 -1.390 10.545 1.00 0.30 C ATOM 1899 O GLY A 124 -1.660 -0.563 11.184 1.00 0.34 O ATOM 0 H GLY A 124 0.313 -2.184 10.528 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.083 -2.673 8.849 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.764 -3.451 10.387 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.638 -1.348 10.443 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.404 -0.306 11.103 1.00 0.36 C ATOM 1905 C GLY A 125 -4.289 1.041 10.416 1.00 0.35 C ATOM 1906 O GLY A 125 -4.537 2.076 11.032 1.00 0.40 O ATOM 0 H GLY A 125 -4.196 -2.018 9.914 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.453 -0.601 11.138 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.065 -0.212 12.134 1.00 0.36 H new ATOM 1910 N LEU A 126 -3.903 1.034 9.149 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.770 2.271 8.393 1.00 0.31 C ATOM 1912 C LEU A 126 -5.131 2.809 7.970 1.00 0.33 C ATOM 1913 O LEU A 126 -6.085 2.051 7.777 1.00 0.35 O ATOM 1914 CB LEU A 126 -2.880 2.072 7.162 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.379 2.287 7.384 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.839 1.331 8.433 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.623 2.119 6.073 1.00 0.39 C ATOM 0 H LEU A 126 -3.677 0.189 8.624 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.298 3.003 9.049 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.032 1.060 6.787 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.214 2.755 6.381 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.232 3.304 7.748 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.228 1.506 8.570 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.358 1.496 9.377 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -0.999 0.304 8.106 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.442 2.274 6.245 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -0.785 1.113 5.686 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -0.984 2.849 5.349 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.201 4.122 7.826 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.425 4.798 7.422 1.00 0.41 C ATOM 1931 C ASP A 127 -6.159 5.584 6.150 1.00 0.39 C ATOM 1932 O ASP A 127 -5.009 5.722 5.733 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.918 5.751 8.525 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.373 5.028 9.779 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.521 4.533 9.808 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.591 4.965 10.751 1.00 1.11 O ATOM 0 H ASP A 127 -4.413 4.749 7.985 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.199 4.050 7.248 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.117 6.443 8.783 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.743 6.349 8.138 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.207 6.113 5.542 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.059 6.874 4.309 1.00 0.42 C ATOM 1943 C PHE A 128 -7.080 8.364 4.595 1.00 0.49 C ATOM 1944 O PHE A 128 -7.685 9.152 3.866 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.138 6.497 3.295 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.821 5.235 2.540 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.157 3.996 3.058 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.176 5.292 1.315 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -7.859 2.836 2.367 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -6.873 4.135 0.619 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.216 2.905 1.146 1.00 0.58 C ATOM 0 H PHE A 128 -8.166 6.031 5.879 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.092 6.624 3.872 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.089 6.374 3.814 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.265 7.316 2.586 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -8.658 3.935 4.013 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -6.906 6.251 0.898 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -8.129 1.876 2.782 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.369 4.194 -0.335 1.00 0.55 H new ATOM 0 HZ PHE A 128 -6.982 2.000 0.605 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.424 8.734 5.682 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.253 10.127 6.039 1.00 0.63 C ATOM 1963 C GLU A 129 -4.863 10.580 5.619 1.00 0.64 C ATOM 1964 O GLU A 129 -3.888 9.843 5.786 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.453 10.328 7.543 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.388 11.783 7.977 1.00 1.58 C ATOM 1967 CD GLU A 129 -7.409 12.648 7.265 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -7.089 13.186 6.183 1.00 3.00 O ATOM 1969 OE2 GLU A 129 -8.537 12.797 7.786 1.00 2.54 O ATOM 0 H GLU A 129 -5.998 8.079 6.337 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.002 10.727 5.521 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.420 9.915 7.831 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.692 9.763 8.081 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -6.551 11.845 9.053 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -5.389 12.172 7.783 1.00 1.58 H new ATOM 1976 N ALA A 130 -4.777 11.778 5.075 1.00 0.73 N ATOM 1977 CA ALA A 130 -3.518 12.290 4.567 1.00 0.92 C ATOM 1978 C ALA A 130 -2.704 12.928 5.684 1.00 1.47 C ATOM 1979 O ALA A 130 -2.928 14.121 5.977 1.00 1.77 O ATOM 1980 CB ALA A 130 -3.773 13.284 3.449 1.00 0.97 C ATOM 1981 OXT ALA A 130 -1.852 12.230 6.273 1.00 2.26 O ATOM 0 H ALA A 130 -5.566 12.417 4.973 1.00 0.73 H new ATOM 0 HA ALA A 130 -2.940 11.457 4.166 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -2.822 13.662 3.075 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.311 12.791 2.640 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -4.369 14.114 3.829 1.00 0.97 H new TER 1987 ALA A 130