USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -1.2 K(o=-2.5,f=-5.7!) USER MOD Set 1.2: B 9 ASN : amide:sc= -1.31 K(o=-2.5,f=-6!) USER MOD Set 2.1: A 38 THR OG1 : rot -99:sc= -0.12 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.21 K(o=0.091,f=-2.2) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -22:sc= 0.346 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= -0.568 K(o=-0.57,f=-5.5!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -8.19! C(o=-9.3!,f=-8.2!) USER MOD Single : A 42 LYS NZ :NH3+ 135:sc= 1.2 (180deg=-0.738) USER MOD Single : A 44 THR OG1 : rot 90:sc= 1.13 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.58 F(o=-4.7!,f=-2.6) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -138:sc= -4.82! (180deg=-8.53!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.11) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -49:sc= -1.81! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 165:sc= -1.38! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.063 -8.281 -12.017 1.00 0.00 N ATOM 95 CA THR A 8 -3.763 -7.005 -11.936 1.00 0.00 C ATOM 96 C THR A 8 -4.760 -6.852 -13.070 1.00 0.00 C ATOM 97 O THR A 8 -5.810 -6.232 -12.900 1.00 0.00 O ATOM 98 CB THR A 8 -2.754 -5.856 -11.963 1.00 0.00 C ATOM 99 OG1 THR A 8 -1.734 -6.106 -12.916 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.085 -5.621 -10.628 1.00 0.00 C ATOM 0 HA THR A 8 -4.316 -6.978 -10.997 1.00 0.00 H new ATOM 0 HB THR A 8 -3.331 -4.969 -12.226 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.681 -7.068 -13.094 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.381 -4.793 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.840 -5.379 -9.880 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.551 -6.521 -10.325 1.00 0.00 H new ATOM 108 N ALA A 9 -4.461 -7.445 -14.212 1.00 0.00 N ATOM 109 CA ALA A 9 -5.387 -7.383 -15.327 1.00 0.00 C ATOM 110 C ALA A 9 -6.717 -7.991 -14.900 1.00 0.00 C ATOM 111 O ALA A 9 -7.744 -7.315 -14.871 1.00 0.00 O ATOM 112 CB ALA A 9 -4.826 -8.109 -16.540 1.00 0.00 C ATOM 0 H ALA A 9 -3.602 -7.965 -14.390 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.539 -6.342 -15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.539 -8.048 -17.362 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.886 -7.645 -16.839 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.650 -9.155 -16.289 1.00 0.00 H new ATOM 118 N SER A 10 -6.686 -9.283 -14.593 1.00 0.00 N ATOM 119 CA SER A 10 -7.885 -10.014 -14.191 1.00 0.00 C ATOM 120 C SER A 10 -8.568 -9.390 -12.975 1.00 0.00 C ATOM 121 O SER A 10 -9.779 -9.535 -12.809 1.00 0.00 O ATOM 122 CB SER A 10 -7.527 -11.466 -13.884 1.00 0.00 C ATOM 123 OG SER A 10 -7.039 -12.123 -15.040 1.00 0.00 O ATOM 0 H SER A 10 -5.838 -9.850 -14.615 1.00 0.00 H new ATOM 0 HA SER A 10 -8.587 -9.965 -15.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.774 -11.500 -13.097 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.406 -11.989 -13.507 1.00 0.00 H new ATOM 0 HG SER A 10 -6.815 -13.051 -14.819 1.00 0.00 H new ATOM 129 N MET A 11 -7.810 -8.677 -12.139 1.00 0.00 N ATOM 130 CA MET A 11 -8.409 -8.045 -10.966 1.00 0.00 C ATOM 131 C MET A 11 -9.432 -7.025 -11.415 1.00 0.00 C ATOM 132 O MET A 11 -10.528 -6.940 -10.860 1.00 0.00 O ATOM 133 CB MET A 11 -7.344 -7.380 -10.087 1.00 0.00 C ATOM 134 CG MET A 11 -6.523 -8.371 -9.280 1.00 0.00 C ATOM 135 SD MET A 11 -7.405 -9.019 -7.852 1.00 0.00 S ATOM 136 CE MET A 11 -6.607 -10.612 -7.675 1.00 0.00 C ATOM 0 H MET A 11 -6.807 -8.526 -12.248 1.00 0.00 H new ATOM 0 HA MET A 11 -8.897 -8.814 -10.367 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.676 -6.795 -10.719 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.830 -6.682 -9.405 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.228 -9.199 -9.924 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.606 -7.886 -8.944 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.041 -11.144 -6.829 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.753 -11.195 -8.584 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.540 -10.468 -7.504 1.00 0.00 H new ATOM 146 N LEU A 12 -9.084 -6.274 -12.442 1.00 0.00 N ATOM 147 CA LEU A 12 -9.996 -5.283 -12.982 1.00 0.00 C ATOM 148 C LEU A 12 -11.223 -5.981 -13.557 1.00 0.00 C ATOM 149 O LEU A 12 -12.341 -5.780 -13.084 1.00 0.00 O ATOM 150 CB LEU A 12 -9.318 -4.424 -14.055 1.00 0.00 C ATOM 151 CG LEU A 12 -9.678 -2.932 -14.006 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.006 -2.676 -14.702 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.736 -2.442 -12.566 1.00 0.00 C ATOM 0 H LEU A 12 -8.183 -6.330 -12.917 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.301 -4.618 -12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.238 -4.526 -13.954 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.585 -4.816 -15.037 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.900 -2.378 -14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.242 -1.613 -14.656 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.936 -2.987 -15.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.793 -3.244 -14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.992 -1.383 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.493 -3.006 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.765 -2.586 -12.093 1.00 0.00 H new ATOM 165 N ALA A 13 -11.006 -6.812 -14.574 1.00 0.00 N ATOM 166 CA ALA A 13 -12.083 -7.559 -15.215 1.00 0.00 C ATOM 167 C ALA A 13 -12.630 -8.673 -14.321 1.00 0.00 C ATOM 168 O ALA A 13 -13.307 -9.584 -14.801 1.00 0.00 O ATOM 169 CB ALA A 13 -11.579 -8.160 -16.504 1.00 0.00 C ATOM 0 H ALA A 13 -10.084 -6.985 -14.974 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.896 -6.859 -15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.383 -8.718 -16.984 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.242 -7.365 -17.169 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.747 -8.832 -16.292 1.00 0.00 H new ATOM 175 N SER A 14 -12.362 -8.580 -13.027 1.00 0.00 N ATOM 176 CA SER A 14 -12.858 -9.565 -12.071 1.00 0.00 C ATOM 177 C SER A 14 -14.225 -9.145 -11.541 1.00 0.00 C ATOM 178 O SER A 14 -15.090 -9.985 -11.289 1.00 0.00 O ATOM 179 CB SER A 14 -11.882 -9.742 -10.901 1.00 0.00 C ATOM 180 OG SER A 14 -12.125 -10.958 -10.213 1.00 0.00 O ATOM 0 H SER A 14 -11.804 -7.833 -12.613 1.00 0.00 H new ATOM 0 HA SER A 14 -12.949 -10.519 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.857 -9.729 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.981 -8.904 -10.211 1.00 0.00 H new ATOM 0 HG SER A 14 -11.489 -11.048 -9.473 1.00 0.00 H new ATOM 186 N ALA A 15 -14.412 -7.836 -11.365 1.00 0.00 N ATOM 187 CA ALA A 15 -15.670 -7.306 -10.851 1.00 0.00 C ATOM 188 C ALA A 15 -16.202 -6.173 -11.734 1.00 0.00 C ATOM 189 O ALA A 15 -16.062 -4.994 -11.400 1.00 0.00 O ATOM 190 CB ALA A 15 -15.469 -6.826 -9.423 1.00 0.00 C ATOM 0 H ALA A 15 -13.708 -7.127 -11.571 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.415 -8.102 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.408 -6.429 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.144 -7.660 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.710 -6.044 -9.406 1.00 0.00 H new ATOM 196 N PRO A 16 -16.815 -6.519 -12.886 1.00 0.00 N ATOM 197 CA PRO A 16 -17.359 -5.538 -13.828 1.00 0.00 C ATOM 198 C PRO A 16 -18.111 -4.392 -13.142 1.00 0.00 C ATOM 199 O PRO A 16 -17.826 -3.222 -13.400 1.00 0.00 O ATOM 200 CB PRO A 16 -18.317 -6.353 -14.715 1.00 0.00 C ATOM 201 CG PRO A 16 -18.212 -7.782 -14.267 1.00 0.00 C ATOM 202 CD PRO A 16 -17.012 -7.890 -13.366 1.00 0.00 C ATOM 0 HA PRO A 16 -16.558 -5.050 -14.383 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.340 -5.990 -14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.047 -6.257 -15.767 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.116 -8.085 -13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.107 -8.446 -15.125 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.190 -8.581 -12.542 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.138 -8.255 -13.905 1.00 0.00 H new ATOM 210 N PRO A 17 -19.090 -4.708 -12.270 1.00 0.00 N ATOM 211 CA PRO A 17 -19.882 -3.692 -11.563 1.00 0.00 C ATOM 212 C PRO A 17 -19.022 -2.666 -10.826 1.00 0.00 C ATOM 213 O PRO A 17 -17.862 -2.440 -11.172 1.00 0.00 O ATOM 214 CB PRO A 17 -20.699 -4.511 -10.560 1.00 0.00 C ATOM 215 CG PRO A 17 -20.794 -5.864 -11.162 1.00 0.00 C ATOM 216 CD PRO A 17 -19.514 -6.075 -11.915 1.00 0.00 C ATOM 0 HA PRO A 17 -20.483 -3.105 -12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.210 -4.545 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.687 -4.076 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.923 -6.625 -10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.654 -5.935 -11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.767 -6.580 -11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.667 -6.690 -12.802 1.00 0.00 H new ATOM 224 N GLN A 18 -19.606 -2.055 -9.798 1.00 0.00 N ATOM 225 CA GLN A 18 -18.921 -1.062 -8.989 1.00 0.00 C ATOM 226 C GLN A 18 -17.905 -1.710 -8.053 1.00 0.00 C ATOM 227 O GLN A 18 -17.389 -1.055 -7.147 1.00 0.00 O ATOM 228 CB GLN A 18 -19.931 -0.246 -8.177 1.00 0.00 C ATOM 229 CG GLN A 18 -20.908 -1.094 -7.374 1.00 0.00 C ATOM 230 CD GLN A 18 -22.315 -1.065 -7.940 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.525 -0.703 -9.098 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.288 -1.446 -7.121 1.00 0.00 N ATOM 0 H GLN A 18 -20.566 -2.237 -9.506 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.384 -0.398 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.389 0.409 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.494 0.395 -8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.553 -2.124 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.928 -0.739 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.068 -1.738 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.256 -1.446 -7.444 1.00 0.00 H new ATOM 241 N GLU A 19 -17.598 -2.988 -8.274 1.00 0.00 N ATOM 242 CA GLU A 19 -16.629 -3.685 -7.447 1.00 0.00 C ATOM 243 C GLU A 19 -15.278 -3.706 -8.146 1.00 0.00 C ATOM 244 O GLU A 19 -14.489 -4.634 -7.969 1.00 0.00 O ATOM 245 CB GLU A 19 -17.099 -5.120 -7.176 1.00 0.00 C ATOM 246 CG GLU A 19 -18.474 -5.202 -6.537 1.00 0.00 C ATOM 247 CD GLU A 19 -18.763 -6.576 -5.969 1.00 0.00 C ATOM 248 OE1 GLU A 19 -18.618 -7.567 -6.714 1.00 0.00 O ATOM 249 OE2 GLU A 19 -19.136 -6.663 -4.780 1.00 0.00 O ATOM 0 H GLU A 19 -18.007 -3.555 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.533 -3.161 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.111 -5.672 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.376 -5.613 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.548 -4.460 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -19.232 -4.951 -7.279 1.00 0.00 H new ATOM 256 N GLN A 20 -14.997 -2.656 -8.907 1.00 0.00 N ATOM 257 CA GLN A 20 -13.711 -2.546 -9.588 1.00 0.00 C ATOM 258 C GLN A 20 -12.598 -2.294 -8.571 1.00 0.00 C ATOM 259 O GLN A 20 -11.861 -3.201 -8.186 1.00 0.00 O ATOM 260 CB GLN A 20 -13.716 -1.439 -10.660 1.00 0.00 C ATOM 261 CG GLN A 20 -15.096 -1.063 -11.176 1.00 0.00 C ATOM 262 CD GLN A 20 -15.027 -0.164 -12.396 1.00 0.00 C ATOM 263 OE1 GLN A 20 -15.731 -0.384 -13.383 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.175 0.853 -12.337 1.00 0.00 N ATOM 0 H GLN A 20 -15.634 -1.876 -9.068 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.528 -3.491 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.242 -0.549 -10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.104 -1.764 -11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.648 -1.969 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.652 -0.558 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.611 0.998 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.084 1.489 -13.129 1.00 0.00 H new ATOM 273 N LYS A 21 -12.503 -1.037 -8.146 1.00 0.00 N ATOM 274 CA LYS A 21 -11.515 -0.588 -7.171 1.00 0.00 C ATOM 275 C LYS A 21 -11.933 -0.948 -5.744 1.00 0.00 C ATOM 276 O LYS A 21 -11.353 -0.456 -4.774 1.00 0.00 O ATOM 277 CB LYS A 21 -11.341 0.926 -7.298 1.00 0.00 C ATOM 278 CG LYS A 21 -11.487 1.432 -8.723 1.00 0.00 C ATOM 279 CD LYS A 21 -10.284 1.070 -9.583 1.00 0.00 C ATOM 280 CE LYS A 21 -10.699 0.688 -10.997 1.00 0.00 C ATOM 281 NZ LYS A 21 -10.905 1.882 -11.865 1.00 0.00 N ATOM 0 H LYS A 21 -13.118 -0.292 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.571 -1.092 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.077 1.423 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.357 1.204 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.389 1.011 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.612 2.515 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.596 1.915 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.745 0.241 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.935 0.048 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.619 0.105 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.186 1.574 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.652 2.481 -11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.020 2.425 -11.924 1.00 0.00 H new ATOM 295 N GLN A 22 -12.937 -1.804 -5.616 1.00 0.00 N ATOM 296 CA GLN A 22 -13.440 -2.213 -4.308 1.00 0.00 C ATOM 297 C GLN A 22 -12.430 -3.043 -3.529 1.00 0.00 C ATOM 298 O GLN A 22 -12.074 -2.701 -2.400 1.00 0.00 O ATOM 299 CB GLN A 22 -14.740 -2.991 -4.467 1.00 0.00 C ATOM 300 CG GLN A 22 -15.812 -2.555 -3.489 1.00 0.00 C ATOM 301 CD GLN A 22 -15.684 -3.244 -2.144 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.604 -3.694 -1.767 1.00 0.00 O ATOM 303 NE2 GLN A 22 -16.789 -3.326 -1.412 1.00 0.00 N ATOM 0 H GLN A 22 -13.423 -2.232 -6.405 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.622 -1.303 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.111 -2.865 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.541 -4.054 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.754 -1.476 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.794 -2.769 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.664 -2.938 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.763 -3.776 -0.497 1.00 0.00 H new ATOM 312 N MET A 23 -11.972 -4.137 -4.118 1.00 0.00 N ATOM 313 CA MET A 23 -11.010 -4.998 -3.450 1.00 0.00 C ATOM 314 C MET A 23 -9.663 -4.291 -3.312 1.00 0.00 C ATOM 315 O MET A 23 -9.467 -3.508 -2.385 1.00 0.00 O ATOM 316 CB MET A 23 -10.863 -6.328 -4.204 1.00 0.00 C ATOM 317 CG MET A 23 -11.011 -6.201 -5.715 1.00 0.00 C ATOM 318 SD MET A 23 -9.943 -7.336 -6.617 1.00 0.00 S ATOM 319 CE MET A 23 -11.149 -8.404 -7.397 1.00 0.00 C ATOM 0 H MET A 23 -12.248 -4.447 -5.049 1.00 0.00 H new ATOM 0 HA MET A 23 -11.378 -5.218 -2.448 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.886 -6.756 -3.979 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.611 -7.029 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.049 -6.388 -5.991 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.781 -5.178 -6.014 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.635 -9.160 -7.991 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.752 -8.892 -6.631 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.795 -7.811 -8.044 1.00 0.00 H new ATOM 329 N LEU A 24 -8.741 -4.571 -4.226 1.00 0.00 N ATOM 330 CA LEU A 24 -7.416 -3.962 -4.197 1.00 0.00 C ATOM 331 C LEU A 24 -7.453 -2.449 -4.385 1.00 0.00 C ATOM 332 O LEU A 24 -6.828 -1.924 -5.309 1.00 0.00 O ATOM 333 CB LEU A 24 -6.509 -4.586 -5.257 1.00 0.00 C ATOM 334 CG LEU A 24 -7.173 -5.004 -6.577 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.830 -3.820 -7.277 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.140 -5.652 -7.490 1.00 0.00 C ATOM 0 H LEU A 24 -8.888 -5.219 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.013 -4.159 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.715 -3.875 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.034 -5.465 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.958 -5.724 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.289 -4.156 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.595 -3.393 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.077 -3.063 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.615 -5.947 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.341 -4.941 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.724 -6.533 -7.001 1.00 0.00 H new ATOM 348 N GLY A 25 -8.162 -1.741 -3.513 1.00 0.00 N ATOM 349 CA GLY A 25 -8.232 -0.307 -3.623 1.00 0.00 C ATOM 350 C GLY A 25 -8.398 0.156 -5.051 1.00 0.00 C ATOM 351 O GLY A 25 -8.932 -0.570 -5.890 1.00 0.00 O ATOM 0 H GLY A 25 -8.687 -2.140 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.067 0.060 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.325 0.131 -3.205 1.00 0.00 H new ATOM 355 N GLU A 26 -7.934 1.355 -5.327 1.00 0.00 N ATOM 356 CA GLU A 26 -8.017 1.910 -6.659 1.00 0.00 C ATOM 357 C GLU A 26 -7.003 1.234 -7.587 1.00 0.00 C ATOM 358 O GLU A 26 -7.317 0.255 -8.267 1.00 0.00 O ATOM 359 CB GLU A 26 -7.805 3.426 -6.621 1.00 0.00 C ATOM 360 CG GLU A 26 -7.093 3.914 -5.362 1.00 0.00 C ATOM 361 CD GLU A 26 -5.706 3.335 -5.242 1.00 0.00 C ATOM 362 OE1 GLU A 26 -4.833 3.733 -6.038 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.493 2.464 -4.374 1.00 0.00 O ATOM 0 H GLU A 26 -7.493 1.967 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.014 1.718 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.226 3.725 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.773 3.921 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.032 5.002 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.678 3.640 -4.484 1.00 0.00 H new ATOM 370 N ARG A 27 -5.792 1.787 -7.614 1.00 0.00 N ATOM 371 CA ARG A 27 -4.713 1.280 -8.462 1.00 0.00 C ATOM 372 C ARG A 27 -3.347 1.365 -7.760 1.00 0.00 C ATOM 373 O ARG A 27 -2.299 1.238 -8.403 1.00 0.00 O ATOM 374 CB ARG A 27 -4.671 2.089 -9.765 1.00 0.00 C ATOM 375 CG ARG A 27 -4.424 1.260 -11.015 1.00 0.00 C ATOM 376 CD ARG A 27 -5.723 0.903 -11.726 1.00 0.00 C ATOM 377 NE ARG A 27 -5.781 1.474 -13.072 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.651 2.409 -13.464 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.546 2.906 -12.618 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.619 2.856 -14.712 1.00 0.00 N ATOM 0 H ARG A 27 -5.531 2.596 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.914 0.230 -8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.616 2.621 -9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.888 2.843 -9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.778 1.814 -11.696 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.895 0.346 -10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.818 -0.181 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.569 1.265 -11.141 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.109 1.134 -13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.576 2.574 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.204 3.620 -12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.932 2.486 -15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.282 3.570 -15.015 1.00 0.00 H new ATOM 394 N LEU A 28 -3.348 1.562 -6.441 1.00 0.00 N ATOM 395 CA LEU A 28 -2.091 1.648 -5.698 1.00 0.00 C ATOM 396 C LEU A 28 -1.492 0.263 -5.497 1.00 0.00 C ATOM 397 O LEU A 28 -0.292 0.064 -5.683 1.00 0.00 O ATOM 398 CB LEU A 28 -2.294 2.357 -4.354 1.00 0.00 C ATOM 399 CG LEU A 28 -2.531 3.866 -4.456 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.375 4.358 -3.291 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.204 4.610 -4.513 1.00 0.00 C ATOM 0 H LEU A 28 -4.189 1.663 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.390 2.241 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.144 1.903 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.417 2.182 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.077 4.067 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.531 5.433 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.339 3.849 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.861 4.145 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.390 5.681 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.631 4.402 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.639 4.280 -5.385 1.00 0.00 H new ATOM 413 N PHE A 29 -2.342 -0.700 -5.140 1.00 0.00 N ATOM 414 CA PHE A 29 -1.898 -2.081 -4.938 1.00 0.00 C ATOM 415 C PHE A 29 -1.016 -2.537 -6.098 1.00 0.00 C ATOM 416 O PHE A 29 0.102 -2.992 -5.893 1.00 0.00 O ATOM 417 CB PHE A 29 -3.109 -3.012 -4.812 1.00 0.00 C ATOM 418 CG PHE A 29 -2.923 -4.224 -3.931 1.00 0.00 C ATOM 419 CD1 PHE A 29 -1.978 -4.274 -2.913 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.738 -5.320 -4.124 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.867 -5.408 -2.122 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.634 -6.443 -3.333 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.696 -6.487 -2.332 1.00 0.00 C ATOM 0 H PHE A 29 -3.339 -0.551 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.316 -2.123 -4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.949 -2.433 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.386 -3.352 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.329 -3.429 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.475 -5.297 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.126 -5.445 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.288 -7.286 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.608 -7.366 -1.711 1.00 0.00 H new ATOM 433 N PRO A 30 -1.510 -2.407 -7.340 1.00 0.00 N ATOM 434 CA PRO A 30 -0.753 -2.800 -8.532 1.00 0.00 C ATOM 435 C PRO A 30 0.636 -2.174 -8.566 1.00 0.00 C ATOM 436 O PRO A 30 1.633 -2.852 -8.814 1.00 0.00 O ATOM 437 CB PRO A 30 -1.591 -2.243 -9.684 1.00 0.00 C ATOM 438 CG PRO A 30 -2.974 -2.144 -9.146 1.00 0.00 C ATOM 439 CD PRO A 30 -2.832 -1.853 -7.681 1.00 0.00 C ATOM 0 HA PRO A 30 -0.595 -3.878 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.222 -1.269 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.552 -2.900 -10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.531 -1.353 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.522 -3.072 -9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.882 -0.783 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.625 -2.324 -7.101 1.00 0.00 H new ATOM 447 N LEU A 31 0.674 -0.869 -8.333 1.00 0.00 N ATOM 448 CA LEU A 31 1.927 -0.113 -8.353 1.00 0.00 C ATOM 449 C LEU A 31 2.832 -0.505 -7.188 1.00 0.00 C ATOM 450 O LEU A 31 4.033 -0.769 -7.358 1.00 0.00 O ATOM 451 CB LEU A 31 1.618 1.386 -8.307 1.00 0.00 C ATOM 452 CG LEU A 31 0.537 1.855 -9.290 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.072 3.183 -8.853 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.118 1.973 -10.687 1.00 0.00 C ATOM 0 H LEU A 31 -0.151 -0.306 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 31 2.458 -0.348 -9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.306 1.647 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.536 1.937 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.259 1.111 -9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.834 3.487 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.525 3.069 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.708 3.943 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.343 2.306 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.934 2.696 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.495 1.002 -11.007 1.00 0.00 H new ATOM 466 N ILE A 32 2.257 -0.557 -6.002 1.00 0.00 N ATOM 467 CA ILE A 32 3.023 -0.920 -4.834 1.00 0.00 C ATOM 468 C ILE A 32 3.443 -2.377 -4.915 1.00 0.00 C ATOM 469 O ILE A 32 4.596 -2.698 -4.653 1.00 0.00 O ATOM 470 CB ILE A 32 2.265 -0.636 -3.533 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.225 -0.751 -2.344 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.059 -1.548 -3.387 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.432 -2.158 -1.832 1.00 0.00 C ATOM 0 H ILE A 32 1.273 -0.354 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 32 3.917 -0.296 -4.818 1.00 0.00 H new ATOM 0 HB ILE A 32 1.878 0.383 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.191 -0.339 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.847 -0.134 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.543 -1.322 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.380 -1.391 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.388 -2.587 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.126 -2.141 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.477 -2.571 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.843 -2.778 -2.629 1.00 0.00 H new ATOM 485 N GLN A 33 2.527 -3.257 -5.325 1.00 0.00 N ATOM 486 CA GLN A 33 2.866 -4.669 -5.481 1.00 0.00 C ATOM 487 C GLN A 33 4.242 -4.780 -6.140 1.00 0.00 C ATOM 488 O GLN A 33 5.080 -5.587 -5.745 1.00 0.00 O ATOM 489 CB GLN A 33 1.827 -5.396 -6.340 1.00 0.00 C ATOM 490 CG GLN A 33 1.557 -6.824 -5.890 1.00 0.00 C ATOM 491 CD GLN A 33 1.797 -7.841 -6.990 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.231 -7.743 -8.078 1.00 0.00 O ATOM 493 NE2 GLN A 33 2.642 -8.826 -6.709 1.00 0.00 N ATOM 0 H GLN A 33 1.561 -3.021 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 33 2.878 -5.136 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.893 -4.834 -6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.168 -5.408 -7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.196 -7.059 -5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.526 -6.903 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.089 -8.869 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.844 -9.540 -7.409 1.00 0.00 H new ATOM 502 N ALA A 34 4.446 -3.943 -7.163 1.00 0.00 N ATOM 503 CA ALA A 34 5.697 -3.911 -7.913 1.00 0.00 C ATOM 504 C ALA A 34 6.893 -3.656 -7.015 1.00 0.00 C ATOM 505 O ALA A 34 7.973 -4.203 -7.225 1.00 0.00 O ATOM 506 CB ALA A 34 5.627 -2.848 -8.994 1.00 0.00 C ATOM 0 H ALA A 34 3.749 -3.273 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 34 5.831 -4.892 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.565 -2.831 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.807 -3.075 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.459 -1.873 -8.536 1.00 0.00 H new ATOM 512 N MET A 35 6.693 -2.812 -6.021 1.00 0.00 N ATOM 513 CA MET A 35 7.768 -2.467 -5.090 1.00 0.00 C ATOM 514 C MET A 35 7.673 -3.272 -3.790 1.00 0.00 C ATOM 515 O MET A 35 8.654 -3.877 -3.357 1.00 0.00 O ATOM 516 CB MET A 35 7.736 -0.972 -4.786 1.00 0.00 C ATOM 517 CG MET A 35 8.581 -0.157 -5.745 1.00 0.00 C ATOM 518 SD MET A 35 10.331 -0.590 -5.654 1.00 0.00 S ATOM 519 CE MET A 35 10.925 0.028 -7.226 1.00 0.00 C ATOM 0 H MET A 35 5.803 -2.351 -5.832 1.00 0.00 H new ATOM 0 HA MET A 35 8.715 -2.720 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.705 -0.620 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.088 -0.806 -3.768 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.223 -0.312 -6.763 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.459 0.903 -5.522 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.994 -0.168 -7.314 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.396 -0.473 -8.037 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.747 1.102 -7.286 1.00 0.00 H new ATOM 529 N HIS A 36 6.490 -3.310 -3.193 1.00 0.00 N ATOM 530 CA HIS A 36 6.267 -4.078 -1.965 1.00 0.00 C ATOM 531 C HIS A 36 7.209 -3.669 -0.830 1.00 0.00 C ATOM 532 O HIS A 36 7.792 -4.524 -0.164 1.00 0.00 O ATOM 533 CB HIS A 36 6.412 -5.579 -2.240 1.00 0.00 C ATOM 534 CG HIS A 36 5.098 -6.254 -2.491 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.851 -5.742 -2.541 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.963 -7.607 -2.727 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.990 -6.778 -2.804 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.684 -7.895 -2.915 1.00 0.00 N flip ATOM 0 H HIS A 36 5.665 -2.818 -3.536 1.00 0.00 H new ATOM 0 HA HIS A 36 5.251 -3.856 -1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.061 -5.724 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.902 -6.054 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.774 -8.320 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.918 -6.693 -2.904 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.302 -8.820 -3.112 1.00 0.00 H new ATOM 546 N PRO A 37 7.355 -2.364 -0.565 1.00 0.00 N ATOM 547 CA PRO A 37 8.210 -1.895 0.522 1.00 0.00 C ATOM 548 C PRO A 37 7.702 -2.398 1.871 1.00 0.00 C ATOM 549 O PRO A 37 8.327 -3.247 2.508 1.00 0.00 O ATOM 550 CB PRO A 37 8.120 -0.365 0.441 1.00 0.00 C ATOM 551 CG PRO A 37 6.911 -0.073 -0.385 1.00 0.00 C ATOM 552 CD PRO A 37 6.692 -1.262 -1.275 1.00 0.00 C ATOM 0 HA PRO A 37 9.234 -2.258 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.031 0.075 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.016 0.056 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.042 0.099 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.057 0.831 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.630 -1.462 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.125 -1.106 -2.263 1.00 0.00 H new ATOM 560 N THR A 38 6.575 -1.842 2.311 1.00 0.00 N ATOM 561 CA THR A 38 5.977 -2.201 3.595 1.00 0.00 C ATOM 562 C THR A 38 4.894 -3.273 3.433 1.00 0.00 C ATOM 563 O THR A 38 5.060 -4.406 3.884 1.00 0.00 O ATOM 564 CB THR A 38 5.390 -0.944 4.248 1.00 0.00 C ATOM 565 OG1 THR A 38 6.367 0.080 4.319 1.00 0.00 O ATOM 566 CG2 THR A 38 4.860 -1.165 5.651 1.00 0.00 C ATOM 0 H THR A 38 6.054 -1.135 1.792 1.00 0.00 H new ATOM 0 HA THR A 38 6.755 -2.619 4.234 1.00 0.00 H new ATOM 0 HB THR A 38 4.552 -0.662 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.756 0.100 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.463 -0.228 6.042 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.068 -1.913 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.668 -1.513 6.295 1.00 0.00 H new ATOM 574 N LEU A 39 3.779 -2.901 2.800 1.00 0.00 N ATOM 575 CA LEU A 39 2.659 -3.825 2.592 1.00 0.00 C ATOM 576 C LEU A 39 1.705 -3.291 1.520 1.00 0.00 C ATOM 577 O LEU A 39 0.982 -2.326 1.754 1.00 0.00 O ATOM 578 CB LEU A 39 1.886 -4.038 3.901 1.00 0.00 C ATOM 579 CG LEU A 39 2.223 -3.069 5.035 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.562 -1.719 4.807 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.804 -3.657 6.369 1.00 0.00 C ATOM 0 H LEU A 39 3.627 -1.966 2.422 1.00 0.00 H new ATOM 0 HA LEU A 39 3.071 -4.777 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.820 -3.963 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.070 -5.054 4.249 1.00 0.00 H new ATOM 0 HG LEU A 39 3.302 -2.915 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.816 -1.046 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.915 -1.295 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.480 -1.846 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.049 -2.957 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.730 -3.840 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.332 -4.596 6.534 1.00 0.00 H new ATOM 593 N ALA A 40 1.700 -3.924 0.349 1.00 0.00 N ATOM 594 CA ALA A 40 0.830 -3.512 -0.761 1.00 0.00 C ATOM 595 C ALA A 40 -0.629 -3.342 -0.338 1.00 0.00 C ATOM 596 O ALA A 40 -1.271 -2.358 -0.704 1.00 0.00 O ATOM 597 CB ALA A 40 0.963 -4.503 -1.909 1.00 0.00 C ATOM 0 H ALA A 40 2.290 -4.729 0.139 1.00 0.00 H new ATOM 0 HA ALA A 40 1.160 -2.528 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.317 -4.196 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.998 -4.528 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.669 -5.496 -1.568 1.00 0.00 H new ATOM 603 N GLY A 41 -1.167 -4.304 0.396 1.00 0.00 N ATOM 604 CA GLY A 41 -2.557 -4.214 0.806 1.00 0.00 C ATOM 605 C GLY A 41 -2.864 -2.959 1.610 1.00 0.00 C ATOM 606 O GLY A 41 -3.630 -2.104 1.168 1.00 0.00 O ATOM 0 H GLY A 41 -0.674 -5.138 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.192 -4.235 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.811 -5.091 1.402 1.00 0.00 H new ATOM 610 N LYS A 42 -2.291 -2.871 2.805 1.00 0.00 N ATOM 611 CA LYS A 42 -2.525 -1.736 3.699 1.00 0.00 C ATOM 612 C LYS A 42 -1.936 -0.430 3.159 1.00 0.00 C ATOM 613 O LYS A 42 -2.536 0.634 3.310 1.00 0.00 O ATOM 614 CB LYS A 42 -1.947 -2.030 5.079 1.00 0.00 C ATOM 615 CG LYS A 42 -2.691 -3.127 5.824 1.00 0.00 C ATOM 616 CD LYS A 42 -2.852 -2.789 7.297 1.00 0.00 C ATOM 617 CE LYS A 42 -3.627 -1.496 7.488 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.854 -1.699 8.305 1.00 0.00 N ATOM 0 H LYS A 42 -1.657 -3.575 3.182 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.604 -1.601 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.901 -2.318 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.967 -1.118 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.673 -3.273 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.151 -4.068 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.369 -3.603 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.870 -2.698 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.987 -0.758 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.902 -1.091 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.929 -0.941 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.690 -1.680 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.801 -2.619 8.788 1.00 0.00 H new ATOM 632 N ILE A 43 -0.768 -0.509 2.534 1.00 0.00 N ATOM 633 CA ILE A 43 -0.123 0.681 1.982 1.00 0.00 C ATOM 634 C ILE A 43 -1.071 1.430 1.047 1.00 0.00 C ATOM 635 O ILE A 43 -1.103 2.659 1.027 1.00 0.00 O ATOM 636 CB ILE A 43 1.144 0.305 1.201 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.999 1.533 0.915 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.773 -0.389 -0.091 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.472 1.207 0.817 1.00 0.00 C ATOM 0 H ILE A 43 -0.249 -1.376 2.396 1.00 0.00 H new ATOM 0 HA ILE A 43 0.144 1.323 2.821 1.00 0.00 H new ATOM 0 HB ILE A 43 1.731 -0.378 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.669 1.991 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.846 2.270 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.680 -0.651 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.209 -1.295 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.163 0.278 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.034 2.118 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.812 0.775 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.634 0.492 0.010 1.00 0.00 H new ATOM 651 N THR A 44 -1.830 0.668 0.262 1.00 0.00 N ATOM 652 CA THR A 44 -2.770 1.239 -0.694 1.00 0.00 C ATOM 653 C THR A 44 -3.796 2.149 -0.015 1.00 0.00 C ATOM 654 O THR A 44 -4.094 3.231 -0.517 1.00 0.00 O ATOM 655 CB THR A 44 -3.481 0.120 -1.468 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.563 -0.585 -2.286 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.599 0.615 -2.360 1.00 0.00 C ATOM 0 H THR A 44 -1.810 -0.352 0.271 1.00 0.00 H new ATOM 0 HA THR A 44 -2.199 1.854 -1.390 1.00 0.00 H new ATOM 0 HB THR A 44 -3.911 -0.526 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.179 -1.331 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.055 -0.231 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.352 1.120 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.197 1.313 -3.094 1.00 0.00 H new ATOM 665 N GLY A 45 -4.329 1.719 1.126 1.00 0.00 N ATOM 666 CA GLY A 45 -5.302 2.537 1.833 1.00 0.00 C ATOM 667 C GLY A 45 -4.734 3.889 2.210 1.00 0.00 C ATOM 668 O GLY A 45 -5.446 4.893 2.239 1.00 0.00 O ATOM 0 H GLY A 45 -4.108 0.828 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.184 2.675 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.629 2.016 2.733 1.00 0.00 H new ATOM 672 N MET A 46 -3.437 3.909 2.484 1.00 0.00 N ATOM 673 CA MET A 46 -2.747 5.135 2.847 1.00 0.00 C ATOM 674 C MET A 46 -2.732 6.092 1.660 1.00 0.00 C ATOM 675 O MET A 46 -3.255 7.207 1.743 1.00 0.00 O ATOM 676 CB MET A 46 -1.320 4.815 3.310 1.00 0.00 C ATOM 677 CG MET A 46 -1.220 4.470 4.789 1.00 0.00 C ATOM 678 SD MET A 46 -1.751 2.789 5.163 1.00 0.00 S ATOM 679 CE MET A 46 -1.953 2.900 6.940 1.00 0.00 C ATOM 0 H MET A 46 -2.839 3.083 2.461 1.00 0.00 H new ATOM 0 HA MET A 46 -3.274 5.617 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.936 3.980 2.724 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.679 5.672 3.102 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.189 4.600 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.827 5.172 5.361 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.281 1.936 7.330 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.002 3.173 7.398 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.699 3.659 7.175 1.00 0.00 H new ATOM 689 N LEU A 47 -2.121 5.661 0.558 1.00 0.00 N ATOM 690 CA LEU A 47 -2.032 6.501 -0.632 1.00 0.00 C ATOM 691 C LEU A 47 -3.418 6.898 -1.119 1.00 0.00 C ATOM 692 O LEU A 47 -3.554 7.828 -1.913 1.00 0.00 O ATOM 693 CB LEU A 47 -1.255 5.793 -1.752 1.00 0.00 C ATOM 694 CG LEU A 47 0.238 5.541 -1.503 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.103 6.449 -2.375 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.601 5.712 -0.037 1.00 0.00 C ATOM 0 H LEU A 47 -1.684 4.744 0.465 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.489 7.406 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.734 4.833 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.353 6.386 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 47 0.438 4.505 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.156 6.248 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.888 6.256 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.883 7.492 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.666 5.525 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.368 6.729 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.029 5.005 0.564 1.00 0.00 H new ATOM 708 N LEU A 48 -4.451 6.191 -0.659 1.00 0.00 N ATOM 709 CA LEU A 48 -5.820 6.488 -1.078 1.00 0.00 C ATOM 710 C LEU A 48 -6.287 7.870 -0.593 1.00 0.00 C ATOM 711 O LEU A 48 -7.467 8.201 -0.706 1.00 0.00 O ATOM 712 CB LEU A 48 -6.772 5.395 -0.575 1.00 0.00 C ATOM 713 CG LEU A 48 -7.480 4.590 -1.676 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.685 3.348 -2.029 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.883 4.189 -1.249 1.00 0.00 C ATOM 0 H LEU A 48 -4.367 5.415 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.834 6.507 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.208 4.705 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.529 5.857 0.059 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.551 5.232 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.205 2.793 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.697 3.638 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.581 2.719 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.358 3.621 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.828 3.574 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.470 5.084 -1.041 1.00 0.00 H new ATOM 727 N GLU A 49 -5.359 8.690 -0.089 1.00 0.00 N ATOM 728 CA GLU A 49 -5.708 10.036 0.355 1.00 0.00 C ATOM 729 C GLU A 49 -5.882 10.947 -0.854 1.00 0.00 C ATOM 730 O GLU A 49 -6.313 12.094 -0.723 1.00 0.00 O ATOM 731 CB GLU A 49 -4.645 10.627 1.300 1.00 0.00 C ATOM 732 CG GLU A 49 -3.205 10.432 0.843 1.00 0.00 C ATOM 733 CD GLU A 49 -2.837 11.298 -0.347 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.879 12.540 -0.214 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.506 10.734 -1.412 1.00 0.00 O ATOM 0 H GLU A 49 -4.374 8.447 0.019 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.643 9.968 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.834 11.694 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.763 10.175 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.533 10.658 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.051 9.384 0.584 1.00 0.00 H new ATOM 742 N ILE A 50 -5.519 10.433 -2.027 1.00 0.00 N ATOM 743 CA ILE A 50 -5.607 11.198 -3.258 1.00 0.00 C ATOM 744 C ILE A 50 -6.859 10.838 -4.058 1.00 0.00 C ATOM 745 O ILE A 50 -7.462 9.780 -3.858 1.00 0.00 O ATOM 746 CB ILE A 50 -4.338 10.984 -4.114 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.299 11.947 -5.303 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.247 9.540 -4.586 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.313 13.409 -4.908 1.00 0.00 C ATOM 0 H ILE A 50 -5.160 9.486 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.680 12.252 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.472 11.197 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.403 11.748 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.154 11.747 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.347 9.410 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.206 8.877 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.123 9.298 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.284 14.028 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.222 13.626 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.443 13.627 -4.288 1.00 0.00 H new ATOM 761 N ASP A 51 -7.231 11.729 -4.971 1.00 0.00 N ATOM 762 CA ASP A 51 -8.395 11.527 -5.824 1.00 0.00 C ATOM 763 C ASP A 51 -8.127 10.441 -6.862 1.00 0.00 C ATOM 764 O ASP A 51 -7.028 10.352 -7.404 1.00 0.00 O ATOM 765 CB ASP A 51 -8.774 12.834 -6.522 1.00 0.00 C ATOM 766 CG ASP A 51 -9.459 13.811 -5.586 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.683 13.672 -5.374 1.00 0.00 O ATOM 768 OD2 ASP A 51 -8.772 14.715 -5.063 1.00 0.00 O ATOM 0 H ASP A 51 -6.737 12.606 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.225 11.205 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.877 13.297 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.434 12.616 -7.362 1.00 0.00 H new ATOM 773 N ASN A 52 -9.139 9.617 -7.145 1.00 0.00 N ATOM 774 CA ASN A 52 -8.991 8.546 -8.129 1.00 0.00 C ATOM 775 C ASN A 52 -8.465 9.088 -9.468 1.00 0.00 C ATOM 776 O ASN A 52 -7.988 8.325 -10.314 1.00 0.00 O ATOM 777 CB ASN A 52 -10.320 7.794 -8.316 1.00 0.00 C ATOM 778 CG ASN A 52 -10.248 6.703 -9.380 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.087 5.444 -8.953 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -10.342 6.983 -10.573 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.060 9.671 -6.711 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.253 7.839 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.614 7.347 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.098 8.507 -8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.464 7.954 -10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.298 6.244 -11.275 1.00 0.00 H new ATOM 787 N SER A 53 -8.542 10.408 -9.644 1.00 0.00 N ATOM 788 CA SER A 53 -8.070 11.056 -10.869 1.00 0.00 C ATOM 789 C SER A 53 -6.538 11.102 -10.932 1.00 0.00 C ATOM 790 O SER A 53 -5.953 11.041 -12.016 1.00 0.00 O ATOM 791 CB SER A 53 -8.637 12.474 -10.967 1.00 0.00 C ATOM 792 OG SER A 53 -7.823 13.405 -10.273 1.00 0.00 O ATOM 0 H SER A 53 -8.928 11.051 -8.952 1.00 0.00 H new ATOM 0 HA SER A 53 -8.423 10.463 -11.713 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.714 12.765 -12.015 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.646 12.493 -10.556 1.00 0.00 H new ATOM 0 HG SER A 53 -8.209 14.302 -10.355 1.00 0.00 H new ATOM 798 N GLU A 54 -5.890 11.212 -9.776 1.00 0.00 N ATOM 799 CA GLU A 54 -4.430 11.270 -9.724 1.00 0.00 C ATOM 800 C GLU A 54 -3.815 9.884 -9.887 1.00 0.00 C ATOM 801 O GLU A 54 -2.736 9.735 -10.463 1.00 0.00 O ATOM 802 CB GLU A 54 -3.965 11.887 -8.406 1.00 0.00 C ATOM 803 CG GLU A 54 -2.500 12.300 -8.406 1.00 0.00 C ATOM 804 CD GLU A 54 -2.317 13.794 -8.218 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.868 14.565 -9.030 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.622 14.191 -7.259 1.00 0.00 O ATOM 0 H GLU A 54 -6.349 11.263 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.096 11.896 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.579 12.760 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.131 11.171 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.977 11.770 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.040 11.997 -9.347 1.00 0.00 H new ATOM 813 N LEU A 55 -4.504 8.869 -9.374 1.00 0.00 N ATOM 814 CA LEU A 55 -4.015 7.499 -9.466 1.00 0.00 C ATOM 815 C LEU A 55 -3.888 7.074 -10.924 1.00 0.00 C ATOM 816 O LEU A 55 -2.945 6.377 -11.301 1.00 0.00 O ATOM 817 CB LEU A 55 -4.932 6.540 -8.717 1.00 0.00 C ATOM 818 CG LEU A 55 -5.553 7.099 -7.442 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.888 6.443 -7.211 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.634 6.879 -6.249 1.00 0.00 C ATOM 0 H LEU A 55 -5.398 8.969 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.029 7.462 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.734 6.231 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.365 5.644 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.694 8.174 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.336 6.840 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.545 6.647 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.752 5.366 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.099 7.286 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.461 5.811 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.683 7.382 -6.425 1.00 0.00 H new ATOM 832 N LEU A 56 -4.829 7.520 -11.748 1.00 0.00 N ATOM 833 CA LEU A 56 -4.792 7.202 -13.171 1.00 0.00 C ATOM 834 C LEU A 56 -3.600 7.894 -13.812 1.00 0.00 C ATOM 835 O LEU A 56 -2.944 7.343 -14.697 1.00 0.00 O ATOM 836 CB LEU A 56 -6.078 7.655 -13.862 1.00 0.00 C ATOM 837 CG LEU A 56 -7.341 6.896 -13.453 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.411 7.864 -12.974 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.858 6.058 -14.614 1.00 0.00 C ATOM 0 H LEU A 56 -5.619 8.097 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.700 6.122 -13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.228 8.715 -13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.947 7.555 -14.939 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.091 6.226 -12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.303 7.307 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.039 8.422 -12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.659 8.558 -13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.757 5.524 -14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.093 6.709 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.094 5.340 -14.913 1.00 0.00 H new ATOM 851 N HIS A 57 -3.333 9.114 -13.352 1.00 0.00 N ATOM 852 CA HIS A 57 -2.225 9.912 -13.863 1.00 0.00 C ATOM 853 C HIS A 57 -0.879 9.290 -13.498 1.00 0.00 C ATOM 854 O HIS A 57 0.013 9.187 -14.341 1.00 0.00 O ATOM 855 CB HIS A 57 -2.315 11.341 -13.321 1.00 0.00 C ATOM 856 CG HIS A 57 -2.819 12.326 -14.328 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.988 13.056 -15.150 1.00 0.00 N ATOM 858 CD2 HIS A 57 -4.083 12.699 -14.651 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.713 13.834 -15.934 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.987 13.635 -15.651 1.00 0.00 N ATOM 0 H HIS A 57 -3.875 9.573 -12.620 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.297 9.937 -14.950 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.973 11.352 -12.452 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.329 11.655 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.994 12.329 -14.205 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.329 14.516 -16.679 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.774 14.102 -16.103 1.00 0.00 H new ATOM 868 N MET A 58 -0.724 8.884 -12.239 1.00 0.00 N ATOM 869 CA MET A 58 0.528 8.281 -11.794 1.00 0.00 C ATOM 870 C MET A 58 0.795 6.962 -12.516 1.00 0.00 C ATOM 871 O MET A 58 1.894 6.733 -13.013 1.00 0.00 O ATOM 872 CB MET A 58 0.543 8.056 -10.275 1.00 0.00 C ATOM 873 CG MET A 58 -0.805 7.744 -9.658 1.00 0.00 C ATOM 874 SD MET A 58 -0.759 6.290 -8.584 1.00 0.00 S ATOM 875 CE MET A 58 0.563 6.724 -7.452 1.00 0.00 C ATOM 0 H MET A 58 -1.441 8.961 -11.518 1.00 0.00 H new ATOM 0 HA MET A 58 1.322 8.985 -12.043 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.226 7.236 -10.052 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.947 8.947 -9.795 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.145 8.605 -9.083 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.535 7.582 -10.451 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.194 5.852 -7.278 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.163 7.525 -7.883 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.137 7.059 -6.506 1.00 0.00 H new ATOM 885 N LEU A 59 -0.209 6.090 -12.561 1.00 0.00 N ATOM 886 CA LEU A 59 -0.044 4.787 -13.206 1.00 0.00 C ATOM 887 C LEU A 59 0.329 4.941 -14.676 1.00 0.00 C ATOM 888 O LEU A 59 1.071 4.123 -15.218 1.00 0.00 O ATOM 889 CB LEU A 59 -1.324 3.952 -13.092 1.00 0.00 C ATOM 890 CG LEU A 59 -1.450 2.830 -14.135 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.933 1.542 -13.491 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.381 3.254 -15.264 1.00 0.00 C ATOM 0 H LEU A 59 -1.134 6.257 -12.165 1.00 0.00 H new ATOM 0 HA LEU A 59 0.766 4.273 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.367 3.511 -12.096 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.184 4.615 -13.185 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.462 2.643 -14.557 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.014 0.764 -14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.223 1.230 -12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.909 1.707 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.459 2.448 -15.994 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.369 3.473 -14.858 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.982 4.145 -15.749 1.00 0.00 H new ATOM 904 N GLU A 60 -0.171 5.985 -15.316 1.00 0.00 N ATOM 905 CA GLU A 60 0.145 6.211 -16.722 1.00 0.00 C ATOM 906 C GLU A 60 1.442 7.007 -16.865 1.00 0.00 C ATOM 907 O GLU A 60 1.929 7.222 -17.975 1.00 0.00 O ATOM 908 CB GLU A 60 -1.009 6.920 -17.438 1.00 0.00 C ATOM 909 CG GLU A 60 -1.342 8.290 -16.875 1.00 0.00 C ATOM 910 CD GLU A 60 -0.430 9.377 -17.407 1.00 0.00 C ATOM 911 OE1 GLU A 60 0.180 9.169 -18.477 1.00 0.00 O ATOM 912 OE2 GLU A 60 -0.326 10.438 -16.755 1.00 0.00 O ATOM 0 H GLU A 60 -0.787 6.681 -14.896 1.00 0.00 H new ATOM 0 HA GLU A 60 0.287 5.239 -17.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.758 7.024 -18.493 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.897 6.291 -17.383 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.375 8.537 -17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.269 8.259 -15.788 1.00 0.00 H new ATOM 919 N SER A 61 2.004 7.432 -15.733 1.00 0.00 N ATOM 920 CA SER A 61 3.249 8.190 -15.732 1.00 0.00 C ATOM 921 C SER A 61 4.116 7.809 -14.530 1.00 0.00 C ATOM 922 O SER A 61 3.834 8.214 -13.401 1.00 0.00 O ATOM 923 CB SER A 61 2.946 9.689 -15.713 1.00 0.00 C ATOM 924 OG SER A 61 2.422 10.116 -16.957 1.00 0.00 O ATOM 0 H SER A 61 1.614 7.262 -14.806 1.00 0.00 H new ATOM 0 HA SER A 61 3.802 7.950 -16.640 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.233 9.910 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.856 10.245 -15.487 1.00 0.00 H new ATOM 0 HG SER A 61 2.234 11.077 -16.920 1.00 0.00 H new ATOM 930 N PRO A 62 5.186 7.017 -14.749 1.00 0.00 N ATOM 931 CA PRO A 62 6.085 6.583 -13.670 1.00 0.00 C ATOM 932 C PRO A 62 6.564 7.743 -12.802 1.00 0.00 C ATOM 933 O PRO A 62 6.811 7.577 -11.606 1.00 0.00 O ATOM 934 CB PRO A 62 7.265 5.962 -14.420 1.00 0.00 C ATOM 935 CG PRO A 62 6.689 5.499 -15.712 1.00 0.00 C ATOM 936 CD PRO A 62 5.603 6.480 -16.060 1.00 0.00 C ATOM 0 HA PRO A 62 5.587 5.900 -12.981 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.061 6.690 -14.579 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.699 5.133 -13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.452 5.469 -16.490 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.288 4.490 -15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.970 7.268 -16.717 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.775 5.995 -16.576 1.00 0.00 H new ATOM 944 N GLU A 63 6.702 8.914 -13.416 1.00 0.00 N ATOM 945 CA GLU A 63 7.161 10.109 -12.712 1.00 0.00 C ATOM 946 C GLU A 63 6.295 10.405 -11.489 1.00 0.00 C ATOM 947 O GLU A 63 6.801 10.525 -10.372 1.00 0.00 O ATOM 948 CB GLU A 63 7.158 11.318 -13.655 1.00 0.00 C ATOM 949 CG GLU A 63 5.972 11.354 -14.609 1.00 0.00 C ATOM 950 CD GLU A 63 5.180 12.642 -14.514 1.00 0.00 C ATOM 951 OE1 GLU A 63 5.125 13.227 -13.411 1.00 0.00 O ATOM 952 OE2 GLU A 63 4.611 13.068 -15.541 1.00 0.00 O ATOM 0 H GLU A 63 6.502 9.062 -14.405 1.00 0.00 H new ATOM 0 HA GLU A 63 8.179 9.920 -12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.160 12.231 -13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.080 11.315 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.330 11.228 -15.631 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.314 10.512 -14.395 1.00 0.00 H new ATOM 959 N SER A 64 4.989 10.514 -11.704 1.00 0.00 N ATOM 960 CA SER A 64 4.053 10.793 -10.622 1.00 0.00 C ATOM 961 C SER A 64 3.795 9.528 -9.821 1.00 0.00 C ATOM 962 O SER A 64 3.522 9.578 -8.624 1.00 0.00 O ATOM 963 CB SER A 64 2.737 11.331 -11.186 1.00 0.00 C ATOM 964 OG SER A 64 2.312 12.485 -10.484 1.00 0.00 O ATOM 0 H SER A 64 4.554 10.413 -12.621 1.00 0.00 H new ATOM 0 HA SER A 64 4.489 11.547 -9.967 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.862 11.570 -12.242 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.969 10.560 -11.122 1.00 0.00 H new ATOM 0 HG SER A 64 1.470 12.809 -10.866 1.00 0.00 H new ATOM 970 N LEU A 65 3.875 8.395 -10.506 1.00 0.00 N ATOM 971 CA LEU A 65 3.643 7.107 -9.885 1.00 0.00 C ATOM 972 C LEU A 65 4.586 6.907 -8.715 1.00 0.00 C ATOM 973 O LEU A 65 4.145 6.766 -7.577 1.00 0.00 O ATOM 974 CB LEU A 65 3.829 5.991 -10.918 1.00 0.00 C ATOM 975 CG LEU A 65 3.869 4.567 -10.363 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.295 4.170 -10.001 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.946 4.443 -9.161 1.00 0.00 C ATOM 0 H LEU A 65 4.101 8.347 -11.500 1.00 0.00 H new ATOM 0 HA LEU A 65 2.620 7.074 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.018 6.055 -11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.757 6.175 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 65 3.518 3.883 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.301 3.153 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.923 4.219 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.682 4.853 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.985 3.424 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.266 5.137 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.925 4.679 -9.460 1.00 0.00 H new ATOM 989 N ARG A 66 5.878 6.906 -8.988 1.00 0.00 N ATOM 990 CA ARG A 66 6.856 6.731 -7.928 1.00 0.00 C ATOM 991 C ARG A 66 6.741 7.854 -6.901 1.00 0.00 C ATOM 992 O ARG A 66 7.038 7.660 -5.728 1.00 0.00 O ATOM 993 CB ARG A 66 8.271 6.697 -8.509 1.00 0.00 C ATOM 994 CG ARG A 66 9.366 6.611 -7.454 1.00 0.00 C ATOM 995 CD ARG A 66 10.188 7.890 -7.390 1.00 0.00 C ATOM 996 NE ARG A 66 11.291 7.880 -8.350 1.00 0.00 N ATOM 997 CZ ARG A 66 12.485 7.342 -8.111 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.750 6.781 -6.937 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.421 7.370 -9.051 1.00 0.00 N ATOM 0 H ARG A 66 6.272 7.023 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 66 6.655 5.782 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.358 5.842 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.428 7.592 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.918 6.417 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.021 5.768 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.543 8.746 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.585 8.016 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 66 11.136 8.313 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.036 6.760 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.668 6.371 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.225 7.803 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.337 6.959 -8.871 1.00 0.00 H new ATOM 1013 N SER A 67 6.294 9.024 -7.351 1.00 0.00 N ATOM 1014 CA SER A 67 6.135 10.179 -6.473 1.00 0.00 C ATOM 1015 C SER A 67 5.246 9.868 -5.272 1.00 0.00 C ATOM 1016 O SER A 67 5.617 10.138 -4.127 1.00 0.00 O ATOM 1017 CB SER A 67 5.544 11.350 -7.259 1.00 0.00 C ATOM 1018 OG SER A 67 5.641 12.559 -6.528 1.00 0.00 O ATOM 0 H SER A 67 6.035 9.197 -8.322 1.00 0.00 H new ATOM 0 HA SER A 67 7.123 10.442 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.067 11.454 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.499 11.145 -7.491 1.00 0.00 H new ATOM 0 HG SER A 67 5.257 13.291 -7.054 1.00 0.00 H new ATOM 1024 N LYS A 68 4.069 9.308 -5.531 1.00 0.00 N ATOM 1025 CA LYS A 68 3.136 8.978 -4.456 1.00 0.00 C ATOM 1026 C LYS A 68 3.611 7.756 -3.675 1.00 0.00 C ATOM 1027 O LYS A 68 3.680 7.785 -2.445 1.00 0.00 O ATOM 1028 CB LYS A 68 1.716 8.733 -4.992 1.00 0.00 C ATOM 1029 CG LYS A 68 1.403 9.444 -6.302 1.00 0.00 C ATOM 1030 CD LYS A 68 1.646 10.941 -6.201 1.00 0.00 C ATOM 1031 CE LYS A 68 0.469 11.736 -6.748 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.272 12.461 -5.676 1.00 0.00 N ATOM 0 H LYS A 68 3.739 9.074 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 68 3.105 9.837 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.574 7.661 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.997 9.054 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.020 9.028 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.364 9.262 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.818 11.213 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.550 11.202 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.829 12.453 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.213 11.061 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.800 13.253 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.936 11.809 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.403 12.827 -4.974 1.00 0.00 H new ATOM 1046 N VAL A 69 3.931 6.683 -4.390 1.00 0.00 N ATOM 1047 CA VAL A 69 4.392 5.452 -3.754 1.00 0.00 C ATOM 1048 C VAL A 69 5.626 5.706 -2.887 1.00 0.00 C ATOM 1049 O VAL A 69 5.643 5.343 -1.711 1.00 0.00 O ATOM 1050 CB VAL A 69 4.718 4.360 -4.795 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.960 3.019 -4.113 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.599 4.245 -5.827 1.00 0.00 C ATOM 0 H VAL A 69 3.880 6.639 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 69 3.576 5.101 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 69 5.632 4.648 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.188 2.264 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.799 3.108 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.067 2.724 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.850 3.470 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.667 3.985 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.480 5.198 -6.343 1.00 0.00 H new ATOM 1062 N ASP A 70 6.647 6.347 -3.459 1.00 0.00 N ATOM 1063 CA ASP A 70 7.864 6.655 -2.700 1.00 0.00 C ATOM 1064 C ASP A 70 7.478 7.269 -1.362 1.00 0.00 C ATOM 1065 O ASP A 70 7.932 6.837 -0.303 1.00 0.00 O ATOM 1066 CB ASP A 70 8.772 7.628 -3.468 1.00 0.00 C ATOM 1067 CG ASP A 70 10.205 7.139 -3.569 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.481 6.287 -4.440 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.051 7.615 -2.785 1.00 0.00 O ATOM 0 H ASP A 70 6.659 6.660 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 70 8.416 5.728 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.372 7.776 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.758 8.599 -2.972 1.00 0.00 H new ATOM 1074 N GLU A 71 6.619 8.280 -1.435 1.00 0.00 N ATOM 1075 CA GLU A 71 6.129 8.974 -0.253 1.00 0.00 C ATOM 1076 C GLU A 71 5.640 7.969 0.783 1.00 0.00 C ATOM 1077 O GLU A 71 6.115 7.954 1.917 1.00 0.00 O ATOM 1078 CB GLU A 71 5.011 9.945 -0.648 1.00 0.00 C ATOM 1079 CG GLU A 71 5.482 11.376 -0.882 1.00 0.00 C ATOM 1080 CD GLU A 71 6.673 11.482 -1.819 1.00 0.00 C ATOM 1081 OE1 GLU A 71 7.281 10.444 -2.144 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.000 12.616 -2.230 1.00 0.00 O ATOM 0 H GLU A 71 6.245 8.639 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 71 6.943 9.547 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.531 9.579 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.253 9.947 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.656 11.958 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.744 11.824 0.076 1.00 0.00 H new ATOM 1089 N ALA A 72 4.707 7.116 0.375 1.00 0.00 N ATOM 1090 CA ALA A 72 4.162 6.093 1.262 1.00 0.00 C ATOM 1091 C ALA A 72 5.263 5.399 2.049 1.00 0.00 C ATOM 1092 O ALA A 72 5.200 5.296 3.270 1.00 0.00 O ATOM 1093 CB ALA A 72 3.409 5.052 0.453 1.00 0.00 C ATOM 0 H ALA A 72 4.311 7.112 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 72 3.488 6.588 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.006 4.293 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.592 5.531 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.088 4.584 -0.259 1.00 0.00 H new ATOM 1099 N VAL A 73 6.265 4.914 1.334 1.00 0.00 N ATOM 1100 CA VAL A 73 7.374 4.212 1.963 1.00 0.00 C ATOM 1101 C VAL A 73 7.979 5.031 3.098 1.00 0.00 C ATOM 1102 O VAL A 73 8.284 4.498 4.160 1.00 0.00 O ATOM 1103 CB VAL A 73 8.478 3.859 0.944 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.468 2.875 1.548 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.883 3.296 -0.342 1.00 0.00 C ATOM 0 H VAL A 73 6.334 4.993 0.319 1.00 0.00 H new ATOM 0 HA VAL A 73 6.965 3.287 2.370 1.00 0.00 H new ATOM 0 HB VAL A 73 9.009 4.778 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.239 2.638 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.930 3.319 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.945 1.962 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.685 3.057 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.317 2.392 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.220 4.036 -0.791 1.00 0.00 H new ATOM 1115 N ALA A 74 8.144 6.326 2.873 1.00 0.00 N ATOM 1116 CA ALA A 74 8.704 7.201 3.886 1.00 0.00 C ATOM 1117 C ALA A 74 7.702 7.448 5.011 1.00 0.00 C ATOM 1118 O ALA A 74 7.993 7.197 6.183 1.00 0.00 O ATOM 1119 CB ALA A 74 9.134 8.517 3.260 1.00 0.00 C ATOM 0 H ALA A 74 7.898 6.791 1.999 1.00 0.00 H new ATOM 0 HA ALA A 74 9.578 6.712 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.553 9.166 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.887 8.327 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.271 9.003 2.806 1.00 0.00 H new ATOM 1125 N VAL A 75 6.526 7.952 4.651 1.00 0.00 N ATOM 1126 CA VAL A 75 5.491 8.243 5.633 1.00 0.00 C ATOM 1127 C VAL A 75 4.917 6.978 6.261 1.00 0.00 C ATOM 1128 O VAL A 75 4.996 6.782 7.473 1.00 0.00 O ATOM 1129 CB VAL A 75 4.344 9.071 5.020 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.679 8.380 3.839 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.323 9.453 6.084 1.00 0.00 C ATOM 0 H VAL A 75 6.268 8.167 3.688 1.00 0.00 H new ATOM 0 HA VAL A 75 5.976 8.827 6.415 1.00 0.00 H new ATOM 0 HB VAL A 75 4.792 9.983 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.880 9.012 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.417 8.206 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.263 7.426 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.523 10.037 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.905 8.550 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.809 10.047 6.858 1.00 0.00 H new ATOM 1141 N LEU A 76 4.314 6.139 5.437 1.00 0.00 N ATOM 1142 CA LEU A 76 3.689 4.900 5.916 1.00 0.00 C ATOM 1143 C LEU A 76 4.645 4.098 6.789 1.00 0.00 C ATOM 1144 O LEU A 76 4.340 3.802 7.944 1.00 0.00 O ATOM 1145 CB LEU A 76 3.199 4.046 4.741 1.00 0.00 C ATOM 1146 CG LEU A 76 2.796 2.609 5.092 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.288 2.457 5.051 1.00 0.00 C ATOM 1148 CD2 LEU A 76 3.453 1.630 4.137 1.00 0.00 C ATOM 0 H LEU A 76 4.239 6.286 4.430 1.00 0.00 H new ATOM 0 HA LEU A 76 2.829 5.181 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.343 4.544 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.986 4.010 3.987 1.00 0.00 H new ATOM 0 HG LEU A 76 3.137 2.390 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.019 1.431 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.834 3.138 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.926 2.692 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.158 0.614 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.137 1.849 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.537 1.723 4.209 1.00 0.00 H new ATOM 1160 N GLN A 77 5.800 3.750 6.239 1.00 0.00 N ATOM 1161 CA GLN A 77 6.784 2.984 6.995 1.00 0.00 C ATOM 1162 C GLN A 77 7.040 3.663 8.340 1.00 0.00 C ATOM 1163 O GLN A 77 7.367 3.010 9.332 1.00 0.00 O ATOM 1164 CB GLN A 77 8.097 2.853 6.221 1.00 0.00 C ATOM 1165 CG GLN A 77 9.053 1.830 6.814 1.00 0.00 C ATOM 1166 CD GLN A 77 8.747 0.415 6.364 1.00 0.00 C ATOM 1167 OE1 GLN A 77 7.743 -0.172 6.767 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.616 -0.142 5.528 1.00 0.00 N ATOM 0 H GLN A 77 6.078 3.981 5.285 1.00 0.00 H new ATOM 0 HA GLN A 77 6.386 1.982 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.876 2.576 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.590 3.825 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.074 2.085 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.003 1.880 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.435 0.382 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.464 -1.094 5.194 1.00 0.00 H new ATOM 1177 N ALA A 78 6.868 4.986 8.357 1.00 0.00 N ATOM 1178 CA ALA A 78 7.058 5.779 9.565 1.00 0.00 C ATOM 1179 C ALA A 78 5.822 5.736 10.465 1.00 0.00 C ATOM 1180 O ALA A 78 5.903 5.338 11.626 1.00 0.00 O ATOM 1181 CB ALA A 78 7.396 7.216 9.198 1.00 0.00 C ATOM 0 H ALA A 78 6.595 5.531 7.539 1.00 0.00 H new ATOM 0 HA ALA A 78 7.888 5.347 10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.536 7.800 10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.313 7.235 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.581 7.644 8.614 1.00 0.00 H new ATOM 1187 N HIS A 79 4.679 6.164 9.923 1.00 0.00 N ATOM 1188 CA HIS A 79 3.428 6.190 10.674 1.00 0.00 C ATOM 1189 C HIS A 79 2.992 4.782 11.071 1.00 0.00 C ATOM 1190 O HIS A 79 2.511 4.562 12.183 1.00 0.00 O ATOM 1191 CB HIS A 79 2.330 6.869 9.849 1.00 0.00 C ATOM 1192 CG HIS A 79 1.684 8.026 10.546 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.627 7.887 11.419 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.946 9.354 10.488 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.265 9.076 11.867 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.051 9.983 11.316 1.00 0.00 N ATOM 0 H HIS A 79 4.598 6.498 8.963 1.00 0.00 H new ATOM 0 HA HIS A 79 3.595 6.762 11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.756 7.215 8.907 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.566 6.132 9.601 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.717 9.829 9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.536 9.272 12.564 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.001 10.989 11.480 1.00 0.00 H new ATOM 1536 N LYS B 5 4.725 13.257 4.106 1.00 0.00 N ATOM 1537 CA LYS B 5 4.627 12.863 2.707 1.00 0.00 C ATOM 1538 C LYS B 5 3.263 13.194 2.100 1.00 0.00 C ATOM 1539 O LYS B 5 2.318 13.548 2.808 1.00 0.00 O ATOM 1540 CB LYS B 5 4.930 11.378 2.556 1.00 0.00 C ATOM 1541 CG LYS B 5 6.357 11.027 2.938 1.00 0.00 C ATOM 1542 CD LYS B 5 7.370 11.733 2.045 1.00 0.00 C ATOM 1543 CE LYS B 5 8.711 11.900 2.743 1.00 0.00 C ATOM 1544 NZ LYS B 5 8.706 13.037 3.703 1.00 0.00 N ATOM 0 HA LYS B 5 5.369 13.442 2.157 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.241 10.806 3.178 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.751 11.078 1.523 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.534 11.303 3.978 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.498 9.949 2.866 1.00 0.00 H new ATOM 0 HD2 LYS B 5 7.506 11.162 1.126 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.984 12.711 1.759 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.960 10.980 3.273 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.490 12.060 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.639 13.114 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.494 13.919 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 7.981 12.874 4.431 1.00 0.00 H new ATOM 1558 N LEU B 6 3.186 13.075 0.775 1.00 0.00 N ATOM 1559 CA LEU B 6 1.960 13.357 0.028 1.00 0.00 C ATOM 1560 C LEU B 6 0.882 12.326 0.341 1.00 0.00 C ATOM 1561 O LEU B 6 -0.302 12.653 0.439 1.00 0.00 O ATOM 1562 CB LEU B 6 2.240 13.350 -1.482 1.00 0.00 C ATOM 1563 CG LEU B 6 3.257 14.386 -1.976 1.00 0.00 C ATOM 1564 CD1 LEU B 6 4.123 13.798 -3.082 1.00 0.00 C ATOM 1565 CD2 LEU B 6 2.546 15.635 -2.476 1.00 0.00 C ATOM 0 H LEU B 6 3.969 12.781 0.190 1.00 0.00 H new ATOM 0 HA LEU B 6 1.607 14.343 0.330 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.595 12.358 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.299 13.513 -2.008 1.00 0.00 H new ATOM 0 HG LEU B 6 3.899 14.661 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.839 14.547 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.660 12.929 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.491 13.496 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.283 16.359 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.882 15.371 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.963 16.071 -1.665 1.00 0.00 H new ATOM 1577 N SER B 7 1.301 11.078 0.503 1.00 0.00 N ATOM 1578 CA SER B 7 0.379 9.998 0.808 1.00 0.00 C ATOM 1579 C SER B 7 0.597 9.487 2.228 1.00 0.00 C ATOM 1580 O SER B 7 1.148 8.405 2.436 1.00 0.00 O ATOM 1581 CB SER B 7 0.563 8.876 -0.199 1.00 0.00 C ATOM 1582 OG SER B 7 0.270 9.326 -1.510 1.00 0.00 O ATOM 0 H SER B 7 2.277 10.790 0.428 1.00 0.00 H new ATOM 0 HA SER B 7 -0.642 10.373 0.742 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.588 8.507 -0.156 1.00 0.00 H new ATOM 0 HB3 SER B 7 -0.088 8.040 0.058 1.00 0.00 H new ATOM 0 HG SER B 7 -0.594 9.788 -1.512 1.00 0.00 H new ATOM 1588 N VAL B 8 0.170 10.286 3.200 1.00 0.00 N ATOM 1589 CA VAL B 8 0.318 9.943 4.609 1.00 0.00 C ATOM 1590 C VAL B 8 -0.436 8.661 4.959 1.00 0.00 C ATOM 1591 O VAL B 8 -0.901 7.942 4.072 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.179 11.092 5.510 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.674 12.338 5.307 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.645 11.391 5.235 1.00 0.00 C ATOM 0 H VAL B 8 -0.285 11.184 3.035 1.00 0.00 H new ATOM 0 HA VAL B 8 1.381 9.779 4.787 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.085 10.780 6.550 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.308 13.138 5.951 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.711 12.114 5.559 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.614 12.654 4.266 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.978 12.204 5.880 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.768 11.682 4.192 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.242 10.501 5.436 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.542 8.368 6.255 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.225 7.164 6.719 1.00 0.00 C ATOM 1606 C ASN B 9 -2.754 7.287 6.609 1.00 0.00 C ATOM 1607 O ASN B 9 -3.475 7.057 7.582 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.816 6.861 8.166 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.277 7.925 9.144 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.944 9.103 9.002 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.044 7.514 10.148 1.00 0.00 N ATOM 0 H ASN B 9 -0.163 8.950 7.002 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.922 6.340 6.073 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.232 5.898 8.462 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.269 6.770 8.220 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.381 8.184 10.839 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.296 6.529 10.227 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.235 7.674 5.427 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.667 7.860 5.185 1.00 0.00 C ATOM 1620 C ALA B 10 -5.494 6.614 5.515 1.00 0.00 C ATOM 1621 O ALA B 10 -4.953 5.582 5.911 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.876 8.265 3.737 1.00 0.00 C ATOM 0 H ALA B 10 -2.648 7.866 4.615 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.017 8.646 5.854 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.940 8.406 3.548 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.346 9.197 3.540 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.492 7.484 3.082 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.835 6.705 5.351 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.758 5.590 5.625 1.00 0.00 C ATOM 1630 C PRO B 11 -7.324 4.308 4.925 1.00 0.00 C ATOM 1631 O PRO B 11 -6.205 4.214 4.429 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.089 6.092 5.055 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.997 7.571 5.167 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.559 7.904 4.886 1.00 0.00 C ATOM 0 HA PRO B 11 -7.803 5.337 6.684 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.223 5.778 4.020 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.936 5.702 5.618 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.660 8.061 4.454 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.292 7.909 6.161 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.389 8.090 3.826 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.241 8.799 5.422 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.214 3.325 4.859 1.00 0.00 N ATOM 1643 CA GLU B 12 -7.912 2.071 4.183 1.00 0.00 C ATOM 1644 C GLU B 12 -8.131 2.178 2.678 1.00 0.00 C ATOM 1645 O GLU B 12 -8.359 3.262 2.139 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.771 0.945 4.756 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.090 0.197 5.887 1.00 0.00 C ATOM 1648 CD GLU B 12 -6.851 -0.554 5.430 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.361 -0.272 4.317 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.368 -1.421 6.189 1.00 0.00 O ATOM 0 H GLU B 12 -9.149 3.373 5.265 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.859 1.847 4.354 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.712 1.361 5.117 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.018 0.243 3.960 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -7.814 0.903 6.670 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.795 -0.508 6.328 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.041 1.028 2.012 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.210 0.974 0.566 1.00 0.00 C ATOM 1659 C PHE B 13 -9.598 0.453 0.184 1.00 0.00 C ATOM 1660 O PHE B 13 -9.923 -0.729 0.313 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.107 0.155 -0.098 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.091 -1.300 0.263 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.675 -1.731 1.510 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.481 -2.235 -0.665 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.650 -3.079 1.814 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.464 -3.579 -0.374 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.047 -4.004 0.865 1.00 0.00 C ATOM 0 H PHE B 13 -7.853 0.127 2.451 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.128 1.994 0.192 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.210 0.244 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.143 0.590 0.167 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.367 -1.009 2.252 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.807 -1.908 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.322 -3.409 2.789 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.777 -4.298 -1.116 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.029 -5.059 1.097 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.383 1.407 -0.305 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.753 1.198 -0.768 1.00 0.00 C ATOM 1679 C TYR B 14 -11.851 1.500 -2.267 1.00 0.00 C ATOM 1680 O TYR B 14 -10.870 1.933 -2.873 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.696 2.102 0.032 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.204 3.522 0.158 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.415 4.439 -0.863 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -11.526 3.946 1.293 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -11.964 5.738 -0.756 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -11.072 5.245 1.407 1.00 0.00 C ATOM 1687 CZ TYR B 14 -11.294 6.138 0.381 1.00 0.00 C ATOM 1688 OH TYR B 14 -10.842 7.434 0.491 1.00 0.00 O ATOM 0 H TYR B 14 -10.076 2.376 -0.393 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.041 0.158 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -13.675 2.106 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -12.830 1.682 1.029 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -12.940 4.130 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -11.351 3.249 2.099 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.135 6.439 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -10.545 5.560 2.296 1.00 0.00 H new ATOM 0 HH TYR B 14 -10.392 7.551 1.354 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.022 1.279 -2.902 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.195 1.541 -4.340 1.00 0.00 C ATOM 1700 C PRO B 15 -13.170 3.029 -4.684 1.00 0.00 C ATOM 1701 O PRO B 15 -14.214 3.666 -4.860 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.561 0.941 -4.650 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.296 1.014 -3.359 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.263 0.751 -2.294 1.00 0.00 C ATOM 0 HA PRO B 15 -12.382 1.112 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.074 1.502 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.474 -0.087 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.758 1.992 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.097 0.275 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.505 1.261 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.180 -0.311 -2.064 1.00 0.00 H new ATOM 1712 N SER B 16 -11.965 3.567 -4.823 1.00 0.00 N ATOM 1713 CA SER B 16 -11.798 4.975 -5.170 1.00 0.00 C ATOM 1714 C SER B 16 -12.556 5.294 -6.457 1.00 0.00 C ATOM 1715 O SER B 16 -13.392 6.199 -6.492 1.00 0.00 O ATOM 1716 CB SER B 16 -10.308 5.305 -5.321 1.00 0.00 C ATOM 1717 OG SER B 16 -9.891 6.247 -4.347 1.00 0.00 O ATOM 0 H SER B 16 -11.092 3.054 -4.702 1.00 0.00 H new ATOM 0 HA SER B 16 -12.209 5.590 -4.369 1.00 0.00 H new ATOM 0 HB2 SER B 16 -9.719 4.393 -5.224 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.120 5.702 -6.319 1.00 0.00 H new ATOM 0 HG SER B 16 -8.937 6.439 -4.464 1.00 0.00 H new ATOM 1723 N GLY B 17 -12.263 4.538 -7.509 1.00 0.00 N ATOM 1724 CA GLY B 17 -12.923 4.744 -8.785 1.00 0.00 C ATOM 1725 C GLY B 17 -14.250 4.006 -8.918 1.00 0.00 C ATOM 1726 O GLY B 17 -14.446 3.255 -9.873 1.00 0.00 O ATOM 0 H GLY B 17 -11.577 3.783 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -13.096 5.811 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.256 4.421 -9.585 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.173 4.227 -7.980 1.00 0.00 N ATOM 1731 CA TYR B 18 -16.490 3.584 -8.031 1.00 0.00 C ATOM 1732 C TYR B 18 -17.218 3.884 -9.346 1.00 0.00 C ATOM 1733 O TYR B 18 -17.740 4.983 -9.536 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.353 4.077 -6.869 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.204 3.006 -6.230 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.616 1.986 -5.504 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.590 3.021 -6.342 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.379 1.003 -4.904 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.363 2.044 -5.744 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.752 1.037 -5.026 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.515 0.063 -4.424 1.00 0.00 O ATOM 0 H TYR B 18 -15.035 4.843 -7.179 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.331 2.508 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.704 4.511 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.003 4.875 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.541 1.958 -5.404 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.070 3.808 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.903 0.213 -4.343 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.439 2.069 -5.838 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.451 0.352 -4.396 1.00 0.00 H new