USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1188 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 135 ASN : amide:sc= 0.937 K(o=2.1,f=-0.77) USER MOD Set 1.2: A 144 ASN : amide:sc= 1.13 K(o=2.1,f=-0.12) USER MOD Set 2.1: A 120 HIS : no HE2:sc= -1.55 X(o=-0.7,f=-0.83) USER MOD Set 2.2: A 124 HIS : +bothHN:sc= 1.29 K(o=-0.7,f=-6.8!) USER MOD Set 2.3: A 130 HIS : no HD1:sc= -0.44 X(o=-0.7,f=-0.77) USER MOD Set 3.1: A 80 ASN : amide:sc= -1.08 X(o=-1,f=-0.54) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0.0489 USER MOD Set 4.1: A 69 HIS : no HE2:sc= -5.39! C(o=-6.5!,f=-9.9!) USER MOD Set 4.2: A 84 HIS : no HD1:sc= -1.08 K(o=-6.5,f=-7.7) USER MOD Set 5.1: A 57 THR OG1 : rot 180:sc= -0.272 USER MOD Set 5.2: A 61 MET CE :methyl -127:sc= -0.259 (180deg=-0.207) USER MOD Set 6.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -141:sc= 1.51 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -57:sc= 0.854 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 22 TYR OH : rot -63:sc= 0.0709 USER MOD Single : A 23 THR OG1 : rot 132:sc= 0.608 USER MOD Single : A 28 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.47) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.2) USER MOD Single : A 41 MET CE :methyl 171:sc=-0.000164 (180deg=-0.0589) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.916) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.032) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.366 K(o=0.37,f=-8.3!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0264 USER MOD Single : A 119 THR OG1 : rot 76:sc= 0.124 USER MOD Single : A 125 SER OG : rot -48:sc= 0.883 USER MOD Single : A 128 MET CE :methyl 147:sc= -0.528 (180deg=-2.73) USER MOD Single : A 131 SER OG : rot 152:sc= 1.17 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl -153:sc= -1.21 (180deg=-3.54!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot -37:sc= 0.989 USER MOD Single : A 148 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.1) USER MOD Single : A 149 ASN :FLIP amide:sc= -0.383 F(o=-0.91,f=-0.38) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 60:sc= -0.0193 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -14.121 -0.334 7.748 1.00 -0.66 N ATOM 110 CA PRO A 8 -13.040 -0.213 6.778 1.00 0.36 C ATOM 111 C PRO A 8 -13.593 -0.383 5.356 1.00 0.57 C ATOM 112 O PRO A 8 -14.745 -0.796 5.190 1.00 -0.57 O ATOM 113 CB PRO A 8 -12.050 -1.318 7.150 1.00 0.00 C ATOM 114 CG PRO A 8 -12.932 -2.403 7.771 1.00 0.00 C ATOM 115 CD PRO A 8 -14.144 -1.665 8.332 1.00 0.30 C ATOM 0 HA PRO A 8 -12.556 0.763 6.797 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.516 -1.688 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.298 -0.961 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.231 -3.141 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.400 -2.940 8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.067 -2.185 8.077 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -14.098 -1.613 9.420 1.00 0.30 H new ATOM 123 N LYS A 9 -12.745 -0.107 4.355 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.088 0.094 2.948 1.00 0.36 C ATOM 125 C LYS A 9 -13.913 1.373 2.764 1.00 0.57 C ATOM 126 O LYS A 9 -14.767 1.722 3.577 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.654 -1.179 2.276 1.00 0.00 C ATOM 128 CG LYS A 9 -15.169 -1.149 2.028 1.00 0.00 C ATOM 129 CD LYS A 9 -15.721 -2.414 1.377 1.00 0.00 C ATOM 130 CE LYS A 9 -17.234 -2.251 1.223 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.726 -2.917 0.002 1.00 -0.85 N ATOM 0 H LYS A 9 -11.743 -0.013 4.520 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.169 0.267 2.388 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.146 -1.328 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.418 -2.040 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.678 -0.991 2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.405 -0.295 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.255 -2.576 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.493 -3.287 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.737 -2.669 2.095 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.485 -1.191 1.188 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.755 -2.788 -0.073 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.263 -2.501 -0.831 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.507 -3.933 0.048 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.637 2.084 1.673 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.382 3.262 1.259 1.00 0.36 C ATOM 147 C TRP A 10 -15.871 2.924 1.100 1.00 0.57 C ATOM 148 O TRP A 10 -16.230 1.808 0.729 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.784 3.772 -0.056 1.00 0.18 C ATOM 150 CG TRP A 10 -12.296 3.981 -0.034 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.352 3.028 -0.233 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.558 5.210 0.242 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.097 3.578 -0.108 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.167 4.930 0.119 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.920 6.532 0.584 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.189 5.915 0.274 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.942 7.526 0.782 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.583 7.216 0.620 1.00 -0.15 C ATOM 0 H TRP A 10 -12.872 1.849 1.041 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.307 4.042 2.017 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.025 3.062 -0.847 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.265 4.715 -0.316 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.555 1.991 -0.456 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.227 3.050 -0.175 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.964 6.785 0.695 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.145 5.679 0.130 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.238 8.527 1.059 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.836 7.983 0.762 1.00 -0.15 H new ATOM 169 N THR A 11 -16.751 3.896 1.348 1.00 -0.73 N ATOM 170 CA THR A 11 -18.201 3.705 1.316 1.00 0.36 C ATOM 171 C THR A 11 -18.731 3.300 -0.070 1.00 0.57 C ATOM 172 O THR A 11 -19.840 2.764 -0.170 1.00 -0.57 O ATOM 173 CB THR A 11 -18.876 5.005 1.784 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.395 6.096 1.018 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.583 5.305 3.258 1.00 0.00 C ATOM 0 H THR A 11 -16.472 4.850 1.580 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.442 2.878 1.983 1.00 0.36 H new ATOM 0 HB THR A 11 -19.950 4.872 1.654 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.828 6.922 1.318 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.079 6.232 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.954 4.487 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.508 5.409 3.401 1.00 0.00 H new ATOM 183 N SER A 12 -17.942 3.569 -1.118 1.00 -0.73 N ATOM 184 CA SER A 12 -18.157 3.145 -2.490 1.00 0.36 C ATOM 185 C SER A 12 -17.348 1.874 -2.775 1.00 0.57 C ATOM 186 O SER A 12 -16.183 1.759 -2.391 1.00 -0.57 O ATOM 187 CB SER A 12 -17.696 4.277 -3.419 1.00 0.28 C ATOM 188 OG SER A 12 -17.721 3.862 -4.767 1.00 -0.68 O ATOM 0 H SER A 12 -17.090 4.121 -1.015 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.212 2.928 -2.656 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.342 5.145 -3.289 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.687 4.587 -3.148 1.00 0.28 H new ATOM 0 HG SER A 12 -16.941 4.226 -5.236 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.948 0.950 -3.538 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.266 -0.236 -4.063 1.00 0.36 C ATOM 196 C LYS A 13 -16.289 0.087 -5.202 1.00 0.57 C ATOM 197 O LYS A 13 -15.511 -0.793 -5.583 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.309 -1.268 -4.530 1.00 0.00 C ATOM 199 CG LYS A 13 -18.916 -0.910 -5.899 1.00 0.00 C ATOM 200 CD LYS A 13 -19.994 -1.895 -6.357 1.00 0.00 C ATOM 201 CE LYS A 13 -20.256 -1.727 -7.861 1.00 0.50 C ATOM 202 NZ LYS A 13 -20.981 -0.480 -8.175 1.00 -0.85 N ATOM 0 H LYS A 13 -18.930 1.007 -3.809 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.668 -0.649 -3.251 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.842 -2.251 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.105 -1.337 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.345 0.091 -5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.121 -0.879 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.677 -2.917 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.914 -1.725 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.306 -1.735 -8.395 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.832 -2.579 -8.223 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.132 -0.415 -9.202 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.901 -0.481 -7.689 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -20.422 0.337 -7.855 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.376 1.298 -5.772 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.476 1.781 -6.807 1.00 0.36 C ATOM 218 C VAL A 14 -14.709 2.939 -6.181 1.00 0.57 C ATOM 219 O VAL A 14 -15.312 3.910 -5.716 1.00 -0.57 O ATOM 220 CB VAL A 14 -16.179 2.125 -8.144 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.012 0.940 -8.654 1.00 0.00 C ATOM 222 CG2 VAL A 14 -17.086 3.364 -8.137 1.00 0.00 C ATOM 0 H VAL A 14 -17.093 1.977 -5.514 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.788 0.996 -7.121 1.00 0.36 H new ATOM 0 HB VAL A 14 -15.342 2.355 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.493 1.211 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.361 0.080 -8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.773 0.686 -7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.521 3.502 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -17.883 3.227 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.499 4.243 -7.873 1.00 0.00 H new ATOM 232 N VAL A 15 -13.388 2.797 -6.118 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.503 3.779 -5.500 1.00 0.36 C ATOM 234 C VAL A 15 -11.671 4.402 -6.612 1.00 0.57 C ATOM 235 O VAL A 15 -11.466 3.777 -7.655 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.631 3.094 -4.427 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.805 4.113 -3.641 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.488 2.341 -3.403 1.00 0.00 C ATOM 0 H VAL A 15 -12.897 1.988 -6.499 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.063 4.564 -4.991 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.982 2.406 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.203 3.595 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.150 4.654 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.473 4.817 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.841 1.871 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.160 3.041 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.074 1.575 -3.912 1.00 0.00 H new ATOM 248 N THR A 16 -11.172 5.620 -6.406 1.00 -0.73 N ATOM 249 CA THR A 16 -10.339 6.263 -7.407 1.00 0.36 C ATOM 250 C THR A 16 -8.887 6.270 -6.942 1.00 0.57 C ATOM 251 O THR A 16 -8.614 6.450 -5.753 1.00 -0.57 O ATOM 252 CB THR A 16 -10.920 7.639 -7.768 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.920 8.531 -6.669 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.354 7.486 -8.296 1.00 0.00 C ATOM 0 H THR A 16 -11.331 6.172 -5.563 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.340 5.701 -8.341 1.00 0.36 H new ATOM 0 HB THR A 16 -10.277 8.061 -8.540 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.420 8.134 -5.925 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.755 8.467 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.349 6.856 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.977 7.026 -7.529 1.00 0.00 H new ATOM 262 N TYR A 17 -7.945 6.098 -7.876 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.517 6.217 -7.596 1.00 0.36 C ATOM 264 C TYR A 17 -5.886 7.205 -8.569 1.00 0.57 C ATOM 265 O TYR A 17 -6.309 7.294 -9.726 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.808 4.846 -7.599 1.00 0.14 C ATOM 267 CG TYR A 17 -5.922 4.029 -8.879 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -7.075 3.253 -9.092 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.888 4.014 -9.838 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -7.217 2.506 -10.272 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -5.020 3.253 -11.020 1.00 -0.15 C ATOM 272 CZ TYR A 17 -6.202 2.509 -11.249 1.00 0.08 C ATOM 273 OH TYR A 17 -6.429 1.800 -12.393 1.00 -0.53 O ATOM 0 H TYR A 17 -8.156 5.872 -8.848 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.390 6.607 -6.586 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.751 5.007 -7.390 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.209 4.252 -6.777 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.854 3.232 -8.345 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.989 4.588 -9.667 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -8.112 1.924 -10.432 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -4.222 3.239 -11.747 1.00 -0.15 H new ATOM 0 HH TYR A 17 -5.655 1.882 -12.988 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.883 7.965 -8.102 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.154 8.884 -8.974 1.00 0.36 C ATOM 285 C ARG A 18 -2.760 9.187 -8.442 1.00 0.57 C ATOM 286 O ARG A 18 -2.588 9.807 -7.396 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.937 10.193 -9.200 1.00 0.00 C ATOM 288 CG ARG A 18 -4.542 10.811 -10.553 1.00 0.00 C ATOM 289 CD ARG A 18 -4.019 12.248 -10.473 1.00 0.33 C ATOM 290 NE ARG A 18 -2.970 12.471 -11.485 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.389 13.642 -11.782 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.790 14.757 -11.182 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.405 13.692 -12.679 1.00 -0.97 N ATOM 0 H ARG A 18 -4.564 7.958 -7.133 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.045 8.380 -9.934 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.009 9.994 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.728 10.896 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.777 10.186 -11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.409 10.791 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.839 12.949 -10.629 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -3.620 12.441 -9.477 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.656 11.655 -12.010 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.542 14.724 -10.493 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.346 15.647 -11.410 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -1.092 12.838 -13.141 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.964 14.584 -12.903 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.747 8.768 -9.188 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.365 8.986 -8.811 1.00 0.36 C ATOM 309 C ILE A 19 -0.010 10.395 -9.323 1.00 0.57 C ATOM 310 O ILE A 19 0.234 10.579 -10.514 1.00 -0.57 O ATOM 311 CB ILE A 19 0.485 7.814 -9.351 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.085 6.415 -8.979 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.927 7.911 -8.852 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.291 5.575 -10.237 1.00 0.00 C ATOM 0 H ILE A 19 -1.864 8.269 -10.070 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.168 8.980 -7.739 1.00 0.36 H new ATOM 0 HB ILE A 19 0.453 7.906 -10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.599 5.905 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.032 6.529 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.505 7.075 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.367 8.849 -9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.938 7.879 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.690 4.599 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.993 6.080 -10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.663 5.446 -10.748 1.00 0.00 H new ATOM 326 N VAL A 20 -0.121 11.418 -8.462 1.00 -0.73 N ATOM 327 CA VAL A 20 0.127 12.825 -8.815 1.00 0.36 C ATOM 328 C VAL A 20 1.598 13.084 -9.145 1.00 0.57 C ATOM 329 O VAL A 20 1.908 13.841 -10.067 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.307 13.786 -7.683 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.832 13.913 -7.641 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.228 13.417 -6.286 1.00 0.00 C ATOM 0 H VAL A 20 -0.390 11.290 -7.486 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.475 13.019 -9.703 1.00 0.36 H new ATOM 0 HB VAL A 20 0.147 14.745 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.119 14.593 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.191 14.304 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.274 12.933 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.127 14.145 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.128 12.424 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.318 13.420 -6.301 1.00 0.00 H new ATOM 342 N SER A 21 2.481 12.441 -8.382 1.00 -0.73 N ATOM 343 CA SER A 21 3.928 12.497 -8.466 1.00 0.36 C ATOM 344 C SER A 21 4.355 11.036 -8.483 1.00 0.57 C ATOM 345 O SER A 21 3.656 10.187 -7.933 1.00 -0.57 O ATOM 346 CB SER A 21 4.493 13.287 -7.264 1.00 0.28 C ATOM 347 OG SER A 21 5.876 13.054 -7.050 1.00 -0.68 O ATOM 0 H SER A 21 2.172 11.821 -7.633 1.00 -0.73 H new ATOM 0 HA SER A 21 4.304 13.018 -9.347 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.330 14.352 -7.427 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.941 13.014 -6.365 1.00 0.28 H new ATOM 0 HG SER A 21 6.181 13.578 -6.280 1.00 -0.68 H new ATOM 353 N TYR A 22 5.499 10.752 -9.096 1.00 -0.73 N ATOM 354 CA TYR A 22 6.015 9.410 -9.319 1.00 0.36 C ATOM 355 C TYR A 22 7.446 9.362 -8.780 1.00 0.57 C ATOM 356 O TYR A 22 8.035 10.406 -8.489 1.00 -0.57 O ATOM 357 CB TYR A 22 5.946 9.067 -10.812 1.00 0.14 C ATOM 358 CG TYR A 22 4.548 9.065 -11.408 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.950 10.267 -11.833 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.852 7.853 -11.585 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.662 10.261 -12.390 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.583 7.830 -12.180 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.971 9.039 -12.569 1.00 0.08 C ATOM 364 OH TYR A 22 0.718 9.032 -13.098 1.00 -0.53 O ATOM 0 H TYR A 22 6.114 11.478 -9.464 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.416 8.664 -8.796 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.558 9.782 -11.362 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.391 8.084 -10.964 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.486 11.199 -11.730 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.303 6.928 -11.257 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.197 11.191 -12.683 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.076 6.890 -12.340 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.109 9.519 -12.504 1.00 -0.53 H new ATOM 374 N THR A 23 8.005 8.155 -8.652 1.00 -0.73 N ATOM 375 CA THR A 23 9.404 7.979 -8.288 1.00 0.36 C ATOM 376 C THR A 23 10.330 8.543 -9.379 1.00 0.57 C ATOM 377 O THR A 23 9.884 9.030 -10.425 1.00 -0.57 O ATOM 378 CB THR A 23 9.674 6.495 -7.971 1.00 0.28 C ATOM 379 OG1 THR A 23 10.880 6.352 -7.249 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.773 5.626 -9.219 1.00 0.00 C ATOM 0 H THR A 23 7.500 7.281 -8.798 1.00 -0.73 H new ATOM 0 HA THR A 23 9.624 8.549 -7.385 1.00 0.36 H new ATOM 0 HB THR A 23 8.820 6.160 -7.381 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.732 5.766 -6.477 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.964 4.593 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.837 5.680 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.589 5.983 -9.847 1.00 0.00 H new ATOM 388 N ARG A 24 11.640 8.430 -9.140 1.00 -0.73 N ATOM 389 CA ARG A 24 12.673 8.984 -10.005 1.00 0.36 C ATOM 390 C ARG A 24 13.544 7.884 -10.618 1.00 0.57 C ATOM 391 O ARG A 24 13.886 7.990 -11.793 1.00 -0.57 O ATOM 392 CB ARG A 24 13.472 10.031 -9.201 1.00 0.00 C ATOM 393 CG ARG A 24 14.201 11.049 -10.089 1.00 0.00 C ATOM 394 CD ARG A 24 15.537 10.539 -10.648 1.00 0.33 C ATOM 395 NE ARG A 24 15.663 10.822 -12.088 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.809 10.955 -12.771 1.00 1.20 C ATOM 397 NH1 ARG A 24 17.989 10.935 -12.152 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.773 11.096 -14.093 1.00 -0.97 N ATOM 0 H ARG A 24 12.013 7.942 -8.326 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.221 9.487 -10.860 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.793 10.562 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.201 9.518 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.551 11.323 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.382 11.956 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.361 11.009 -10.110 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.617 9.465 -10.479 1.00 0.33 H new ATOM 0 HE ARG A 24 14.796 10.927 -12.616 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 18.032 10.817 -11.140 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 18.849 11.038 -12.690 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.877 11.102 -14.581 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.641 11.198 -14.619 1.00 -0.97 H new ATOM 412 N ASP A 25 13.898 6.843 -9.852 1.00 -0.73 N ATOM 413 CA ASP A 25 14.768 5.754 -10.320 1.00 0.36 C ATOM 414 C ASP A 25 14.070 4.889 -11.379 1.00 0.57 C ATOM 415 O ASP A 25 14.675 4.510 -12.389 1.00 -0.57 O ATOM 416 CB ASP A 25 15.195 4.875 -9.125 1.00 0.06 C ATOM 417 CG ASP A 25 16.715 4.879 -8.944 1.00 0.66 C ATOM 418 OD1 ASP A 25 17.187 5.743 -8.223 1.00 -0.57 O ATOM 419 OD2 ASP A 25 17.422 3.957 -9.592 1.00 -0.65 O ATOM 0 H ASP A 25 13.588 6.732 -8.887 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.648 6.203 -10.780 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.718 5.239 -8.215 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.848 3.853 -9.281 1.00 0.06 H new ATOM 425 N LEU A 26 12.786 4.600 -11.130 1.00 -0.73 N ATOM 426 CA LEU A 26 11.915 3.785 -11.974 1.00 0.36 C ATOM 427 C LEU A 26 10.964 4.719 -12.744 1.00 0.57 C ATOM 428 O LEU A 26 10.653 5.807 -12.251 1.00 -0.57 O ATOM 429 CB LEU A 26 11.105 2.784 -11.120 1.00 0.00 C ATOM 430 CG LEU A 26 11.912 1.949 -10.105 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.952 1.175 -9.191 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.880 1.004 -10.825 1.00 0.00 C ATOM 0 H LEU A 26 12.309 4.945 -10.297 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.522 3.211 -12.674 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.339 3.338 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.587 2.100 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 26 12.510 2.620 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.526 0.586 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.315 1.878 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.333 0.510 -9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.438 0.425 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.317 0.327 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.574 1.587 -11.431 1.00 0.00 H new ATOM 444 N PRO A 27 10.472 4.327 -13.932 1.00 -0.66 N ATOM 445 CA PRO A 27 9.601 5.183 -14.724 1.00 0.36 C ATOM 446 C PRO A 27 8.178 5.267 -14.146 1.00 0.57 C ATOM 447 O PRO A 27 7.650 4.301 -13.588 1.00 -0.57 O ATOM 448 CB PRO A 27 9.619 4.597 -16.138 1.00 0.00 C ATOM 449 CG PRO A 27 10.164 3.176 -16.007 1.00 0.00 C ATOM 450 CD PRO A 27 10.759 3.073 -14.605 1.00 0.30 C ATOM 0 HA PRO A 27 9.955 6.214 -14.720 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.618 4.591 -16.569 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.247 5.195 -16.799 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.371 2.441 -16.148 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.921 2.978 -16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.324 2.235 -14.061 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.834 2.898 -14.653 1.00 0.30 H new ATOM 458 N HIS A 28 7.520 6.414 -14.356 1.00 -0.73 N ATOM 459 CA HIS A 28 6.151 6.682 -13.907 1.00 0.36 C ATOM 460 C HIS A 28 5.129 5.690 -14.471 1.00 0.57 C ATOM 461 O HIS A 28 4.205 5.287 -13.763 1.00 -0.57 O ATOM 462 CB HIS A 28 5.753 8.121 -14.276 1.00 0.17 C ATOM 463 CG HIS A 28 6.215 8.592 -15.627 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.301 9.401 -15.857 1.00 -0.70 N ATOM 465 CD2 HIS A 28 5.666 8.297 -16.846 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.410 9.580 -17.183 1.00 0.65 C ATOM 467 NE2 HIS A 28 6.442 8.913 -17.830 1.00 -0.70 N ATOM 0 H HIS A 28 7.937 7.200 -14.855 1.00 -0.73 H new ATOM 0 HA HIS A 28 6.141 6.557 -12.824 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.667 8.202 -14.234 1.00 0.17 H new ATOM 0 HB3 HIS A 28 6.152 8.796 -13.519 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.787 7.694 -17.017 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.171 10.178 -17.662 1.00 0.65 H new ATOM 0 HE2 HIS A 28 6.301 8.865 -18.839 1.00 -0.70 H new ATOM 476 N ILE A 29 5.304 5.273 -15.730 1.00 -0.73 N ATOM 477 CA ILE A 29 4.452 4.268 -16.354 1.00 0.36 C ATOM 478 C ILE A 29 4.562 2.950 -15.589 1.00 0.57 C ATOM 479 O ILE A 29 3.540 2.327 -15.314 1.00 -0.57 O ATOM 480 CB ILE A 29 4.762 4.142 -17.866 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.908 3.056 -18.569 1.00 0.00 C ATOM 482 CG2 ILE A 29 6.261 4.003 -18.197 1.00 0.00 C ATOM 483 CD1 ILE A 29 4.461 1.619 -18.571 1.00 0.00 C ATOM 0 H ILE A 29 6.041 5.626 -16.340 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.409 4.578 -16.296 1.00 0.36 H new ATOM 0 HB ILE A 29 4.462 5.103 -18.283 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.926 3.040 -18.096 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.758 3.362 -19.604 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.389 3.920 -19.276 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.797 4.880 -17.834 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.659 3.110 -17.715 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.766 0.962 -19.095 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.427 1.602 -19.076 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.582 1.274 -17.544 1.00 0.00 H new ATOM 495 N THR A 30 5.781 2.547 -15.211 1.00 -0.73 N ATOM 496 CA THR A 30 6.012 1.337 -14.437 1.00 0.36 C ATOM 497 C THR A 30 5.415 1.500 -13.044 1.00 0.57 C ATOM 498 O THR A 30 4.780 0.563 -12.579 1.00 -0.57 O ATOM 499 CB THR A 30 7.511 1.003 -14.432 1.00 0.28 C ATOM 500 OG1 THR A 30 7.859 0.532 -15.720 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.941 -0.067 -13.425 1.00 0.00 C ATOM 0 H THR A 30 6.634 3.058 -15.438 1.00 -0.73 H new ATOM 0 HA THR A 30 5.509 0.484 -14.892 1.00 0.36 H new ATOM 0 HB THR A 30 8.019 1.923 -14.143 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.814 0.314 -15.741 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.016 -0.228 -13.502 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.695 0.263 -12.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.418 -0.999 -13.639 1.00 0.00 H new ATOM 509 N VAL A 31 5.529 2.672 -12.406 1.00 -0.73 N ATOM 510 CA VAL A 31 4.849 2.931 -11.138 1.00 0.36 C ATOM 511 C VAL A 31 3.331 2.738 -11.286 1.00 0.57 C ATOM 512 O VAL A 31 2.768 1.987 -10.494 1.00 -0.57 O ATOM 513 CB VAL A 31 5.241 4.321 -10.602 1.00 0.00 C ATOM 514 CG1 VAL A 31 4.276 4.868 -9.538 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.656 4.293 -10.012 1.00 0.00 C ATOM 0 H VAL A 31 6.087 3.454 -12.750 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.173 2.205 -10.393 1.00 0.36 H new ATOM 0 HB VAL A 31 5.193 4.988 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.617 5.849 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.276 4.955 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.250 4.188 -8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.914 5.284 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.694 3.575 -9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.367 4.000 -10.785 1.00 0.00 H new ATOM 525 N ASP A 32 2.672 3.354 -12.282 1.00 -0.73 N ATOM 526 CA ASP A 32 1.219 3.209 -12.481 1.00 0.36 C ATOM 527 C ASP A 32 0.865 1.755 -12.804 1.00 0.57 C ATOM 528 O ASP A 32 -0.048 1.195 -12.204 1.00 -0.57 O ATOM 529 CB ASP A 32 0.732 4.197 -13.566 1.00 0.06 C ATOM 530 CG ASP A 32 -0.789 4.453 -13.629 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.566 3.586 -13.263 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.180 5.629 -14.111 1.00 -0.65 O ATOM 0 H ASP A 32 3.125 3.960 -12.966 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.697 3.461 -11.558 1.00 0.36 H new ATOM 0 HB2 ASP A 32 1.233 5.152 -13.408 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.056 3.824 -14.538 1.00 0.06 H new ATOM 538 N ARG A 33 1.641 1.087 -13.666 1.00 -0.73 N ATOM 539 CA ARG A 33 1.426 -0.318 -14.022 1.00 0.36 C ATOM 540 C ARG A 33 1.570 -1.226 -12.801 1.00 0.57 C ATOM 541 O ARG A 33 0.712 -2.083 -12.585 1.00 -0.57 O ATOM 542 CB ARG A 33 2.412 -0.735 -15.132 1.00 0.00 C ATOM 543 CG ARG A 33 1.955 -0.502 -16.585 1.00 0.00 C ATOM 544 CD ARG A 33 1.115 0.754 -16.874 1.00 0.33 C ATOM 545 NE ARG A 33 -0.328 0.463 -16.812 1.00 -0.84 N ATOM 546 CZ ARG A 33 -1.297 1.260 -17.281 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.018 2.482 -17.730 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -2.558 0.836 -17.337 1.00 -0.97 N ATOM 0 H ARG A 33 2.440 1.510 -14.138 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.407 -0.427 -14.395 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.346 -0.195 -14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.633 -1.795 -15.010 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.844 -0.464 -17.215 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.378 -1.372 -16.899 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.362 1.532 -16.152 1.00 0.33 H new ATOM 0 HD3 ARG A 33 1.367 1.143 -17.861 1.00 0.33 H new ATOM 0 HE ARG A 33 -0.612 -0.415 -16.377 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -0.056 2.822 -17.720 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.766 3.078 -18.084 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 -2.794 -0.105 -17.021 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -3.288 1.452 -17.696 1.00 -0.97 H new ATOM 562 N LEU A 34 2.625 -1.045 -11.997 1.00 -0.73 N ATOM 563 CA LEU A 34 2.839 -1.821 -10.782 1.00 0.36 C ATOM 564 C LEU A 34 1.758 -1.490 -9.757 1.00 0.57 C ATOM 565 O LEU A 34 1.286 -2.422 -9.119 1.00 -0.57 O ATOM 566 CB LEU A 34 4.246 -1.596 -10.194 1.00 0.00 C ATOM 567 CG LEU A 34 5.343 -2.550 -10.723 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.328 -2.805 -12.240 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.718 -2.016 -10.301 1.00 0.00 C ATOM 0 H LEU A 34 3.353 -0.353 -12.176 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.771 -2.878 -11.041 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.549 -0.570 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.190 -1.699 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 34 5.128 -3.520 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.137 -3.486 -12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.374 -3.248 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.462 -1.861 -12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.497 -2.683 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.865 -1.020 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.770 -1.964 -9.213 1.00 0.00 H new ATOM 581 N VAL A 35 1.315 -0.231 -9.625 1.00 -0.73 N ATOM 582 CA VAL A 35 0.148 0.108 -8.810 1.00 0.36 C ATOM 583 C VAL A 35 -1.088 -0.626 -9.332 1.00 0.57 C ATOM 584 O VAL A 35 -1.801 -1.220 -8.528 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.046 1.646 -8.715 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.513 2.113 -8.740 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.602 2.160 -7.422 1.00 0.00 C ATOM 0 H VAL A 35 1.753 0.571 -10.077 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.314 -0.232 -7.788 1.00 0.36 H new ATOM 0 HB VAL A 35 0.427 2.057 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.550 3.200 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.981 1.794 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.048 1.676 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.468 3.239 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.132 1.679 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.667 1.927 -7.431 1.00 0.00 H new ATOM 597 N SER A 36 -1.342 -0.627 -10.646 1.00 -0.73 N ATOM 598 CA SER A 36 -2.518 -1.262 -11.223 1.00 0.36 C ATOM 599 C SER A 36 -2.498 -2.756 -10.906 1.00 0.57 C ATOM 600 O SER A 36 -3.516 -3.304 -10.494 1.00 -0.57 O ATOM 601 CB SER A 36 -2.575 -1.010 -12.739 1.00 0.28 C ATOM 602 OG SER A 36 -3.913 -0.879 -13.183 1.00 -0.68 O ATOM 0 H SER A 36 -0.733 -0.185 -11.335 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.417 -0.828 -10.785 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.018 -0.105 -12.982 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.092 -1.833 -13.266 1.00 0.28 H new ATOM 0 HG SER A 36 -3.923 -0.718 -14.150 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.332 -3.403 -11.033 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.149 -4.808 -10.680 1.00 0.36 C ATOM 610 C LYS A 37 -1.250 -5.030 -9.164 1.00 0.57 C ATOM 611 O LYS A 37 -1.926 -5.970 -8.756 1.00 -0.57 O ATOM 612 CB LYS A 37 0.171 -5.317 -11.289 1.00 0.00 C ATOM 613 CG LYS A 37 -0.007 -5.532 -12.805 1.00 0.00 C ATOM 614 CD LYS A 37 1.278 -5.925 -13.557 1.00 0.00 C ATOM 615 CE LYS A 37 1.157 -7.328 -14.172 1.00 0.50 C ATOM 616 NZ LYS A 37 1.966 -7.479 -15.399 1.00 -0.85 N ATOM 0 H LYS A 37 -0.485 -2.958 -11.387 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.959 -5.400 -11.106 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.969 -4.598 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.467 -6.251 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.755 -6.309 -12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.402 -4.616 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.479 -5.197 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.126 -5.897 -12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.472 -8.071 -13.439 1.00 0.50 H new ATOM 0 HE3 LYS A 37 0.111 -7.531 -14.403 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 1.850 -8.442 -15.775 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 1.650 -6.789 -16.110 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.968 -7.312 -15.177 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.670 -4.164 -8.327 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.744 -4.248 -6.866 1.00 0.36 C ATOM 632 C ALA A 38 -2.188 -4.117 -6.368 1.00 0.57 C ATOM 633 O ALA A 38 -2.647 -4.906 -5.539 1.00 -0.57 O ATOM 634 CB ALA A 38 0.110 -3.135 -6.237 1.00 0.00 C ATOM 0 H ALA A 38 -0.124 -3.367 -8.654 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.365 -5.226 -6.569 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.052 -3.202 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.147 -3.250 -6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.262 -2.163 -6.561 1.00 0.00 H new ATOM 640 N LEU A 39 -2.917 -3.126 -6.893 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.324 -2.907 -6.595 1.00 0.36 C ATOM 642 C LEU A 39 -5.165 -4.038 -7.172 1.00 0.57 C ATOM 643 O LEU A 39 -6.099 -4.481 -6.505 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.806 -1.559 -7.158 1.00 0.00 C ATOM 645 CG LEU A 39 -4.354 -0.330 -6.346 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.794 0.953 -7.059 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.934 -0.322 -4.921 1.00 0.00 C ATOM 0 H LEU A 39 -2.532 -2.445 -7.548 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.440 -2.888 -5.511 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.444 -1.456 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.895 -1.567 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.268 -0.381 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.472 1.819 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.344 0.991 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.880 0.963 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.585 0.564 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.023 -0.310 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.606 -1.215 -4.389 1.00 0.00 H new ATOM 659 N ASN A 40 -4.823 -4.555 -8.360 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.475 -5.748 -8.882 1.00 0.36 C ATOM 661 C ASN A 40 -5.280 -6.914 -7.926 1.00 0.57 C ATOM 662 O ASN A 40 -6.226 -7.654 -7.711 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.965 -6.141 -10.272 1.00 0.06 C ATOM 664 CG ASN A 40 -5.924 -7.129 -10.920 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.709 -8.334 -10.926 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -6.963 -6.611 -11.557 1.00 -0.80 N ATOM 0 H ASN A 40 -4.103 -4.164 -8.968 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.535 -5.510 -8.975 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.868 -5.253 -10.897 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.973 -6.585 -10.192 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -7.604 -7.219 -12.066 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -7.122 -5.604 -11.538 1.00 -0.80 H new ATOM 673 N MET A 41 -4.093 -7.059 -7.329 1.00 -0.73 N ATOM 674 CA MET A 41 -3.805 -8.090 -6.343 1.00 0.36 C ATOM 675 C MET A 41 -4.689 -7.935 -5.098 1.00 0.57 C ATOM 676 O MET A 41 -5.275 -8.920 -4.658 1.00 -0.57 O ATOM 677 CB MET A 41 -2.298 -8.082 -6.012 1.00 0.00 C ATOM 678 CG MET A 41 -1.602 -9.389 -6.430 1.00 0.23 C ATOM 679 SD MET A 41 -0.298 -9.171 -7.669 1.00 -0.46 S ATOM 680 CE MET A 41 1.098 -8.897 -6.553 1.00 0.23 C ATOM 0 H MET A 41 -3.297 -6.451 -7.524 1.00 -0.73 H new ATOM 0 HA MET A 41 -4.048 -9.067 -6.761 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.822 -7.242 -6.517 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.164 -7.928 -4.941 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.172 -9.858 -5.545 1.00 0.23 H new ATOM 0 HG3 MET A 41 -2.351 -10.077 -6.823 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.026 -8.900 -7.124 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.982 -7.935 -6.054 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.129 -9.691 -5.807 1.00 0.23 H new ATOM 690 N TRP A 42 -4.869 -6.712 -4.581 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.820 -6.450 -3.497 1.00 0.36 C ATOM 692 C TRP A 42 -7.262 -6.781 -3.926 1.00 0.57 C ATOM 693 O TRP A 42 -7.974 -7.511 -3.235 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.681 -4.991 -3.026 1.00 0.18 C ATOM 695 CG TRP A 42 -4.667 -4.777 -1.941 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.357 -4.466 -2.093 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.880 -4.883 -0.500 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.756 -4.379 -0.851 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.629 -4.714 0.153 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -6.000 -5.121 0.322 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.484 -4.861 1.534 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.869 -5.205 1.724 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.608 -5.111 2.328 1.00 -0.15 C ATOM 0 H TRP A 42 -4.364 -5.885 -4.900 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.588 -7.104 -2.657 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.414 -4.371 -3.882 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.651 -4.644 -2.671 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.859 -4.310 -3.039 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.786 -4.101 -0.700 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.974 -5.241 -0.129 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.507 -4.782 1.988 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.748 -5.343 2.337 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.505 -5.230 3.396 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.685 -6.312 -5.105 1.00 -0.73 N ATOM 715 CA GLY A 43 -9.018 -6.569 -5.649 1.00 0.36 C ATOM 716 C GLY A 43 -9.188 -7.980 -6.221 1.00 0.57 C ATOM 717 O GLY A 43 -10.256 -8.306 -6.731 1.00 -0.57 O ATOM 0 H GLY A 43 -7.103 -5.737 -5.713 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.758 -6.413 -4.864 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -9.227 -5.841 -6.433 1.00 0.36 H new ATOM 721 N LYS A 44 -8.148 -8.815 -6.221 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.255 -10.241 -6.523 1.00 0.36 C ATOM 723 C LYS A 44 -8.715 -11.006 -5.284 1.00 0.57 C ATOM 724 O LYS A 44 -9.108 -12.163 -5.417 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.919 -10.783 -7.076 1.00 0.00 C ATOM 726 CG LYS A 44 -6.974 -10.930 -8.606 1.00 0.00 C ATOM 727 CD LYS A 44 -5.633 -11.398 -9.191 1.00 0.00 C ATOM 728 CE LYS A 44 -5.771 -11.635 -10.703 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.479 -11.952 -11.356 1.00 -0.85 N ATOM 0 H LYS A 44 -7.196 -8.515 -6.009 1.00 -0.73 H new ATOM 0 HA LYS A 44 -9.005 -10.387 -7.300 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -6.108 -10.109 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.699 -11.749 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.754 -11.643 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.249 -9.974 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.863 -10.650 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.313 -12.316 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.470 -12.453 -10.875 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.199 -10.747 -11.168 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -4.632 -12.102 -12.374 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.817 -11.162 -11.218 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.080 -12.815 -10.935 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.718 -10.368 -4.108 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.051 -11.024 -2.855 1.00 0.36 C ATOM 745 C GLU A 45 -10.416 -10.562 -2.328 1.00 0.57 C ATOM 746 O GLU A 45 -11.045 -11.293 -1.564 1.00 -0.57 O ATOM 747 CB GLU A 45 -7.963 -10.721 -1.825 1.00 0.00 C ATOM 748 CG GLU A 45 -6.529 -11.082 -2.243 1.00 0.06 C ATOM 749 CD GLU A 45 -5.938 -12.131 -1.300 1.00 0.66 C ATOM 750 OE1 GLU A 45 -5.729 -11.777 -0.151 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.715 -13.348 -1.789 1.00 -0.65 O ATOM 0 H GLU A 45 -8.488 -9.380 -4.007 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.109 -12.098 -3.030 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.996 -9.657 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.199 -11.257 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.528 -11.462 -3.264 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -5.907 -10.187 -2.235 1.00 0.06 H new ATOM 759 N ILE A 46 -10.898 -9.384 -2.757 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.194 -8.824 -2.373 1.00 0.36 C ATOM 761 C ILE A 46 -12.904 -8.238 -3.598 1.00 0.57 C ATOM 762 O ILE A 46 -12.230 -7.701 -4.476 1.00 -0.57 O ATOM 763 CB ILE A 46 -12.058 -7.752 -1.263 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.900 -6.749 -1.487 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.929 -8.501 0.063 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.990 -5.507 -0.590 1.00 0.00 C ATOM 0 H ILE A 46 -10.379 -8.783 -3.397 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.794 -9.638 -1.967 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.944 -7.117 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.951 -7.253 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.897 -6.435 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.830 -7.784 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.817 -9.112 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.048 -9.142 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.149 -4.846 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.923 -4.980 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.962 -5.811 0.456 1.00 0.00 H new ATOM 778 N PRO A 47 -14.251 -8.305 -3.662 1.00 -0.66 N ATOM 779 CA PRO A 47 -15.053 -7.848 -4.797 1.00 0.36 C ATOM 780 C PRO A 47 -15.170 -6.311 -4.838 1.00 0.57 C ATOM 781 O PRO A 47 -16.267 -5.745 -4.791 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.390 -8.585 -4.654 1.00 0.00 C ATOM 783 CG PRO A 47 -16.546 -8.797 -3.149 1.00 0.00 C ATOM 784 CD PRO A 47 -15.108 -8.906 -2.645 1.00 0.30 C ATOM 0 HA PRO A 47 -14.597 -8.081 -5.759 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -17.213 -7.997 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.380 -9.534 -5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -17.072 -7.965 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.116 -9.699 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.994 -8.391 -1.691 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.836 -9.948 -2.479 1.00 0.30 H new ATOM 792 N LEU A 48 -14.018 -5.638 -4.911 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.851 -4.194 -4.847 1.00 0.36 C ATOM 794 C LEU A 48 -13.085 -3.787 -6.102 1.00 0.57 C ATOM 795 O LEU A 48 -12.151 -4.477 -6.509 1.00 -0.57 O ATOM 796 CB LEU A 48 -13.096 -3.851 -3.551 1.00 0.00 C ATOM 797 CG LEU A 48 -13.295 -2.407 -3.052 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.905 -2.359 -1.577 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.428 -1.382 -3.775 1.00 0.00 C ATOM 0 H LEU A 48 -13.127 -6.122 -5.023 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.797 -3.653 -4.821 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.415 -4.539 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.031 -4.022 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.338 -2.151 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.037 -1.345 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.537 -3.043 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.862 -2.654 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.623 -0.389 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.376 -1.631 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.664 -1.392 -4.839 1.00 0.00 H new ATOM 811 N HIS A 49 -13.503 -2.680 -6.719 1.00 -0.73 N ATOM 812 CA HIS A 49 -13.019 -2.248 -8.019 1.00 0.36 C ATOM 813 C HIS A 49 -12.453 -0.836 -7.875 1.00 0.57 C ATOM 814 O HIS A 49 -12.762 -0.109 -6.927 1.00 -0.57 O ATOM 815 CB HIS A 49 -14.171 -2.312 -9.037 1.00 0.17 C ATOM 816 CG HIS A 49 -14.806 -3.677 -9.197 1.00 0.18 C ATOM 817 ND1 HIS A 49 -15.638 -4.307 -8.295 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.694 -4.510 -10.279 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.998 -5.491 -8.820 1.00 0.65 C ATOM 820 NE2 HIS A 49 -15.453 -5.660 -10.036 1.00 -0.70 N ATOM 0 H HIS A 49 -14.199 -2.052 -6.317 1.00 -0.73 H new ATOM 0 HA HIS A 49 -12.226 -2.900 -8.384 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.942 -1.602 -8.737 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.797 -1.985 -10.007 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -14.117 -4.312 -11.170 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -16.639 -6.209 -8.330 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -15.569 -6.462 -10.655 1.00 -0.70 H new ATOM 829 N PHE A 50 -11.617 -0.423 -8.825 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.891 0.831 -8.720 1.00 0.36 C ATOM 831 C PHE A 50 -10.810 1.439 -10.109 1.00 0.57 C ATOM 832 O PHE A 50 -10.767 0.707 -11.100 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.486 0.638 -8.110 1.00 0.14 C ATOM 834 CG PHE A 50 -9.286 -0.570 -7.218 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.121 -1.838 -7.806 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -9.262 -0.440 -5.817 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.979 -2.979 -7.001 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -9.088 -1.580 -5.018 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.964 -2.850 -5.603 1.00 -0.15 C ATOM 0 H PHE A 50 -11.428 -0.946 -9.680 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.421 1.502 -8.044 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.767 0.579 -8.927 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -9.241 1.530 -7.533 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.104 -1.934 -8.882 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -9.377 0.532 -5.360 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.882 -3.954 -7.456 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -9.049 -1.480 -3.943 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.857 -3.725 -4.979 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.767 2.769 -10.174 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.782 3.527 -11.416 1.00 0.36 C ATOM 851 C ARG A 51 -9.708 4.609 -11.352 1.00 0.57 C ATOM 852 O ARG A 51 -9.323 5.047 -10.267 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.191 4.123 -11.609 1.00 0.00 C ATOM 854 CG ARG A 51 -12.720 3.916 -13.033 1.00 0.00 C ATOM 855 CD ARG A 51 -14.208 4.283 -13.095 1.00 0.33 C ATOM 856 NE ARG A 51 -14.652 4.522 -14.478 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.812 5.099 -14.832 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.700 5.455 -13.903 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.075 5.327 -16.120 1.00 -0.97 N ATOM 0 H ARG A 51 -10.720 3.359 -9.343 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.560 2.889 -12.271 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.878 3.664 -10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.166 5.189 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.155 4.531 -13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.579 2.878 -13.335 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.800 3.479 -12.656 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.388 5.175 -12.495 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.028 4.225 -15.228 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.500 5.290 -12.917 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.579 5.893 -14.179 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.396 5.063 -16.834 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.955 5.765 -16.391 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.257 5.083 -12.513 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.150 6.026 -12.597 1.00 0.36 C ATOM 875 C LYS A 52 -8.676 7.329 -13.171 1.00 0.57 C ATOM 876 O LYS A 52 -9.045 7.387 -14.344 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.009 5.415 -13.424 1.00 0.00 C ATOM 878 CG LYS A 52 -5.664 6.046 -13.038 1.00 0.00 C ATOM 879 CD LYS A 52 -4.489 5.301 -13.685 1.00 0.00 C ATOM 880 CE LYS A 52 -4.101 5.843 -15.060 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.223 7.021 -14.920 1.00 -0.85 N ATOM 0 H LYS A 52 -9.650 4.823 -13.418 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.733 6.240 -11.613 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.971 4.338 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.199 5.571 -14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.649 7.091 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.552 6.033 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.624 5.360 -13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.747 4.246 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.592 5.068 -15.633 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.998 6.114 -15.617 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.213 7.555 -15.812 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.579 7.630 -14.156 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -2.257 6.709 -14.693 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.761 8.357 -12.328 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.211 9.671 -12.757 1.00 0.36 C ATOM 897 C VAL A 53 -8.054 10.331 -13.516 1.00 0.57 C ATOM 898 O VAL A 53 -6.906 10.273 -13.078 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.733 10.493 -11.557 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.944 9.785 -10.926 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.680 10.753 -10.469 1.00 0.00 C ATOM 0 H VAL A 53 -8.521 8.299 -11.338 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.063 9.602 -13.433 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.012 11.466 -11.961 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.307 10.369 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.737 9.689 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.647 8.794 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.126 11.336 -9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.322 9.802 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.844 11.306 -10.897 1.00 0.00 H new ATOM 911 N VAL A 54 -8.343 10.923 -14.678 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.351 11.679 -15.442 1.00 0.36 C ATOM 913 C VAL A 54 -7.005 12.985 -14.715 1.00 0.57 C ATOM 914 O VAL A 54 -5.846 13.396 -14.714 1.00 -0.57 O ATOM 915 CB VAL A 54 -7.870 11.889 -16.890 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.584 13.266 -17.510 1.00 0.00 C ATOM 917 CG2 VAL A 54 -7.275 10.806 -17.803 1.00 0.00 C ATOM 0 H VAL A 54 -9.265 10.891 -15.112 1.00 -0.73 H new ATOM 0 HA VAL A 54 -6.417 11.122 -15.517 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.955 11.822 -16.812 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.990 13.301 -18.521 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.051 14.042 -16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.507 13.432 -17.546 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.637 10.949 -18.821 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.187 10.877 -17.791 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.578 9.822 -17.446 1.00 0.00 H new ATOM 927 N TRP A 55 -7.998 13.619 -14.085 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.865 14.914 -13.444 1.00 0.36 C ATOM 929 C TRP A 55 -8.797 14.968 -12.232 1.00 0.57 C ATOM 930 O TRP A 55 -9.738 14.174 -12.126 1.00 -0.57 O ATOM 931 CB TRP A 55 -8.197 16.036 -14.440 1.00 0.18 C ATOM 932 CG TRP A 55 -9.661 16.289 -14.665 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -10.542 15.433 -15.233 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -10.447 17.456 -14.270 1.00 0.00 C ATOM 935 NE1 TRP A 55 -11.807 15.979 -15.204 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.808 17.232 -14.626 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -10.145 18.682 -13.634 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.818 18.176 -14.378 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -11.146 19.639 -13.385 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -12.480 19.390 -13.759 1.00 -0.15 C ATOM 0 H TRP A 55 -8.937 13.229 -14.009 1.00 -0.73 H new ATOM 0 HA TRP A 55 -6.837 15.056 -13.110 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -7.737 16.959 -14.087 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -7.736 15.796 -15.398 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -10.291 14.467 -15.647 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -12.640 15.514 -15.565 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -9.128 18.888 -13.334 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.840 17.971 -14.660 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -10.889 20.571 -12.904 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -13.242 20.132 -13.570 1.00 -0.15 H new ATOM 951 N GLY A 56 -8.521 15.925 -11.344 1.00 -0.73 N ATOM 952 CA GLY A 56 -9.056 15.945 -9.997 1.00 0.36 C ATOM 953 C GLY A 56 -8.228 15.032 -9.093 1.00 0.57 C ATOM 954 O GLY A 56 -7.546 14.109 -9.551 1.00 -0.57 O ATOM 0 H GLY A 56 -7.910 16.715 -11.551 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -9.045 16.963 -9.608 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -10.096 15.617 -10.005 1.00 0.36 H new ATOM 958 N THR A 57 -8.281 15.304 -7.786 1.00 -0.73 N ATOM 959 CA THR A 57 -7.760 14.387 -6.779 1.00 0.36 C ATOM 960 C THR A 57 -8.554 13.071 -6.780 1.00 0.57 C ATOM 961 O THR A 57 -9.632 12.969 -7.370 1.00 -0.57 O ATOM 962 CB THR A 57 -7.732 15.084 -5.407 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.006 14.299 -4.489 1.00 -0.68 O ATOM 964 CG2 THR A 57 -9.116 15.357 -4.811 1.00 0.00 C ATOM 0 H THR A 57 -8.683 16.159 -7.403 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.732 14.116 -7.019 1.00 0.36 H new ATOM 0 HB THR A 57 -7.259 16.051 -5.580 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.989 14.747 -3.617 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -9.005 15.850 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.681 16.001 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.648 14.415 -4.679 1.00 0.00 H new ATOM 972 N ALA A 58 -8.020 12.075 -6.071 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.578 10.744 -5.968 1.00 0.36 C ATOM 974 C ALA A 58 -8.574 10.289 -4.510 1.00 0.57 C ATOM 975 O ALA A 58 -7.968 10.914 -3.628 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.767 9.795 -6.853 1.00 0.00 C ATOM 0 H ALA A 58 -7.158 12.186 -5.538 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.612 10.742 -6.312 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.180 8.789 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.813 10.134 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.729 9.785 -6.520 1.00 0.00 H new ATOM 982 N ASP A 59 -9.265 9.180 -4.266 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.363 8.599 -2.938 1.00 0.36 C ATOM 984 C ASP A 59 -7.993 8.060 -2.518 1.00 0.57 C ATOM 985 O ASP A 59 -7.551 8.369 -1.412 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.428 7.501 -2.933 1.00 0.06 C ATOM 987 CG ASP A 59 -11.817 8.016 -3.318 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.362 7.470 -4.264 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.305 9.040 -2.623 1.00 -0.65 O ATOM 0 H ASP A 59 -9.771 8.662 -4.984 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.665 9.358 -2.217 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.133 6.713 -3.626 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.475 7.052 -1.941 1.00 0.06 H new ATOM 995 N ILE A 60 -7.292 7.365 -3.426 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.993 6.727 -3.208 1.00 0.36 C ATOM 997 C ILE A 60 -4.973 7.412 -4.134 1.00 0.57 C ATOM 998 O ILE A 60 -4.632 6.934 -5.219 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.088 5.193 -3.423 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.168 4.508 -2.548 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.721 4.535 -3.135 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.553 3.117 -3.071 1.00 0.00 C ATOM 0 H ILE A 60 -7.635 7.228 -4.377 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.662 6.851 -2.177 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.380 5.052 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.800 4.419 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.057 5.138 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.796 3.458 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.970 4.946 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.431 4.735 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.313 2.682 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.948 3.205 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.672 2.475 -3.080 1.00 0.00 H new ATOM 1014 N MET A 61 -4.516 8.592 -3.737 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.426 9.301 -4.377 1.00 0.36 C ATOM 1016 C MET A 61 -2.097 8.661 -3.983 1.00 0.57 C ATOM 1017 O MET A 61 -1.954 8.101 -2.896 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.460 10.778 -3.969 1.00 0.00 C ATOM 1019 CG MET A 61 -2.485 11.683 -4.716 1.00 0.23 C ATOM 1020 SD MET A 61 -2.420 13.379 -4.090 1.00 -0.46 S ATOM 1021 CE MET A 61 -4.046 13.934 -4.628 1.00 0.23 C ATOM 0 H MET A 61 -4.907 9.093 -2.939 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.534 9.239 -5.460 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.471 11.157 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.250 10.848 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.487 11.248 -4.660 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.763 11.707 -5.770 1.00 0.23 H new ATOM 0 HE1 MET A 61 -3.944 14.854 -5.204 1.00 0.23 H new ATOM 0 HE2 MET A 61 -4.505 13.166 -5.250 1.00 0.23 H new ATOM 0 HE3 MET A 61 -4.674 14.119 -3.757 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.102 8.810 -4.854 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.265 8.391 -4.606 1.00 0.36 C ATOM 1033 C ILE A 62 1.145 9.576 -5.022 1.00 0.57 C ATOM 1034 O ILE A 62 0.914 10.174 -6.074 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.553 7.070 -5.364 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.301 5.878 -4.856 1.00 0.00 C ATOM 1037 CG2 ILE A 62 2.034 6.682 -5.253 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.588 5.656 -5.661 1.00 0.00 C ATOM 0 H ILE A 62 -1.232 9.236 -5.772 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.470 8.156 -3.561 1.00 0.36 H new ATOM 0 HB ILE A 62 0.286 7.267 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.301 4.970 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.561 6.048 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.208 5.752 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.650 7.472 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.297 6.546 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.133 4.807 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.211 6.549 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.336 5.454 -6.702 1.00 0.00 H new ATOM 1050 N GLY A 63 2.135 9.930 -4.198 1.00 -0.73 N ATOM 1051 CA GLY A 63 3.070 11.012 -4.493 1.00 0.36 C ATOM 1052 C GLY A 63 4.423 10.750 -3.842 1.00 0.57 C ATOM 1053 O GLY A 63 4.544 9.863 -3.002 1.00 -0.57 O ATOM 0 H GLY A 63 2.309 9.470 -3.304 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.193 11.109 -5.572 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.665 11.957 -4.132 1.00 0.36 H new ATOM 1057 N PHE A 64 5.455 11.495 -4.237 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.822 11.231 -3.809 1.00 0.36 C ATOM 1059 C PHE A 64 7.499 12.557 -3.497 1.00 0.57 C ATOM 1060 O PHE A 64 7.161 13.582 -4.104 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.631 10.446 -4.867 1.00 0.14 C ATOM 1062 CG PHE A 64 7.062 9.111 -5.325 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.847 9.078 -6.022 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.746 7.901 -5.097 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.268 7.868 -6.420 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 7.163 6.677 -5.483 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.919 6.663 -6.141 1.00 -0.15 C ATOM 0 H PHE A 64 5.364 12.296 -4.862 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.788 10.603 -2.919 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.748 11.083 -5.744 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.629 10.269 -4.466 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.347 10.006 -6.257 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.718 7.911 -4.626 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.322 7.865 -6.941 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.672 5.748 -5.273 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.469 5.725 -6.429 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.448 12.519 -2.555 1.00 -0.73 N ATOM 1078 CA ALA A 65 9.210 13.670 -2.091 1.00 0.36 C ATOM 1079 C ALA A 65 10.614 13.234 -1.647 1.00 0.57 C ATOM 1080 O ALA A 65 10.930 12.047 -1.664 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.446 14.344 -0.947 1.00 0.00 C ATOM 0 H ALA A 65 8.711 11.654 -2.083 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.332 14.388 -2.902 1.00 0.36 H new ATOM 0 HB1 ALA A 65 9.009 15.207 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.469 14.669 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.316 13.635 -0.129 1.00 0.00 H new ATOM 1087 N ARG A 66 11.464 14.198 -1.272 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.888 13.996 -1.001 1.00 0.36 C ATOM 1089 C ARG A 66 13.310 14.833 0.213 1.00 0.57 C ATOM 1090 O ARG A 66 14.059 15.799 0.085 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.707 14.270 -2.283 1.00 0.00 C ATOM 1092 CG ARG A 66 13.640 15.719 -2.800 1.00 0.00 C ATOM 1093 CD ARG A 66 13.519 15.800 -4.326 1.00 0.33 C ATOM 1094 NE ARG A 66 13.714 17.184 -4.779 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.896 17.787 -4.939 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.038 17.130 -4.724 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.898 19.057 -5.340 1.00 -0.97 N ATOM 0 H ARG A 66 11.169 15.166 -1.146 1.00 -0.73 H new ATOM 0 HA ARG A 66 13.090 12.959 -0.732 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.750 14.016 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.356 13.603 -3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.787 16.223 -2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.534 16.255 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.260 15.150 -4.792 1.00 0.33 H new ATOM 0 HD3 ARG A 66 12.538 15.442 -4.640 1.00 0.33 H new ATOM 0 HE ARG A 66 12.878 17.730 -4.989 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.017 16.153 -4.433 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.932 17.605 -4.851 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.016 19.538 -5.515 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.782 19.549 -5.472 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.731 14.534 1.379 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.070 15.191 2.641 1.00 0.36 C ATOM 1113 C GLY A 67 11.889 15.977 3.201 1.00 0.57 C ATOM 1114 O GLY A 67 11.291 15.572 4.191 1.00 -0.57 O ATOM 0 H GLY A 67 12.007 13.822 1.473 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.387 14.443 3.368 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.914 15.863 2.487 1.00 0.36 H new ATOM 1118 N ALA A 68 11.507 17.097 2.577 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.291 17.809 2.975 1.00 0.36 C ATOM 1120 C ALA A 68 9.044 17.047 2.499 1.00 0.57 C ATOM 1121 O ALA A 68 9.148 16.065 1.761 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.313 19.244 2.442 1.00 0.00 C ATOM 0 H ALA A 68 12.016 17.525 1.804 1.00 -0.73 H new ATOM 0 HA ALA A 68 10.252 17.861 4.063 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.402 19.759 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.179 19.769 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.374 19.227 1.354 1.00 0.00 H new ATOM 1128 N HIS A 69 7.851 17.521 2.884 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.589 16.921 2.481 1.00 0.36 C ATOM 1130 C HIS A 69 5.516 18.002 2.401 1.00 0.57 C ATOM 1131 O HIS A 69 5.438 18.857 3.284 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.195 15.843 3.497 1.00 0.17 C ATOM 1133 CG HIS A 69 5.975 14.478 2.926 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.021 13.328 3.662 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.646 14.134 1.644 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.730 12.310 2.846 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.512 12.751 1.599 1.00 -0.70 N ATOM 0 H HIS A 69 7.743 18.336 3.487 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.692 16.459 1.499 1.00 0.36 H new ATOM 0 HB2 HIS A 69 6.974 15.780 4.256 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.282 16.159 4.002 1.00 0.17 H new ATOM 0 HD1 HIS A 69 6.238 13.259 4.656 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.514 14.814 0.816 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.678 11.275 3.150 1.00 0.65 H new ATOM 1146 N GLY A 70 4.679 17.953 1.359 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.673 18.971 1.064 1.00 0.36 C ATOM 1148 C GLY A 70 2.307 18.608 1.637 1.00 0.57 C ATOM 1149 O GLY A 70 1.293 18.855 0.988 1.00 -0.57 O ATOM 0 H GLY A 70 4.685 17.187 0.685 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.995 19.928 1.474 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.591 19.098 -0.016 1.00 0.36 H new ATOM 1153 N ASP A 71 2.290 18.007 2.830 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.105 17.435 3.466 1.00 0.36 C ATOM 1155 C ASP A 71 1.096 17.844 4.929 1.00 0.57 C ATOM 1156 O ASP A 71 0.293 18.694 5.311 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.024 15.898 3.313 1.00 0.06 C ATOM 1158 CG ASP A 71 2.376 15.188 3.280 1.00 0.66 C ATOM 1159 OD1 ASP A 71 2.970 15.183 2.215 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.808 14.594 4.389 1.00 -0.65 O ATOM 0 H ASP A 71 3.131 17.903 3.397 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.221 17.826 2.962 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.437 15.495 4.138 1.00 0.06 H new ATOM 0 HB3 ASP A 71 0.484 15.666 2.395 1.00 0.06 H new ATOM 1166 N SER A 72 1.991 17.271 5.744 1.00 -0.73 N ATOM 1167 CA SER A 72 2.062 17.581 7.171 1.00 0.36 C ATOM 1168 C SER A 72 3.279 16.934 7.829 1.00 0.57 C ATOM 1169 O SER A 72 3.875 17.547 8.710 1.00 -0.57 O ATOM 1170 CB SER A 72 0.793 17.049 7.854 1.00 0.28 C ATOM 1171 OG SER A 72 0.562 17.586 9.141 1.00 -0.68 O ATOM 0 H SER A 72 2.679 16.586 5.433 1.00 -0.73 H new ATOM 0 HA SER A 72 2.148 18.662 7.282 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.067 17.268 7.221 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.863 15.964 7.932 1.00 0.28 H new ATOM 0 HG SER A 72 -0.261 17.204 9.512 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.648 15.713 7.415 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.669 14.919 8.089 1.00 0.36 C ATOM 1179 C TYR A 73 5.963 14.996 7.281 1.00 0.57 C ATOM 1180 O TYR A 73 6.063 14.296 6.267 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.195 13.465 8.207 1.00 0.14 C ATOM 1182 CG TYR A 73 3.064 13.239 9.188 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.247 13.534 10.552 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.837 12.714 8.739 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.202 13.321 11.467 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.790 12.487 9.650 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.968 12.797 11.020 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.044 12.598 11.912 1.00 -0.53 O ATOM 0 H TYR A 73 3.242 15.253 6.600 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.847 15.307 9.092 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.877 13.121 7.223 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.042 12.845 8.502 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.193 13.925 10.896 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.700 12.485 7.693 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.342 13.558 12.511 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.148 12.077 9.305 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.825 12.234 11.445 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.953 15.814 7.691 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.207 15.904 6.972 1.00 0.36 C ATOM 1200 C PRO A 74 8.863 14.524 6.979 1.00 0.57 C ATOM 1201 O PRO A 74 8.978 13.878 8.028 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.032 16.998 7.647 1.00 0.00 C ATOM 1203 CG PRO A 74 8.437 17.139 9.046 1.00 0.00 C ATOM 1204 CD PRO A 74 7.036 16.527 8.958 1.00 0.30 C ATOM 0 HA PRO A 74 8.092 16.181 5.924 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.086 16.725 7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.969 17.936 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.046 16.620 9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.390 18.185 9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.860 15.849 9.793 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.273 17.304 9.012 1.00 0.30 H new ATOM 1212 N PHE A 75 9.249 14.089 5.777 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.148 12.970 5.574 1.00 0.36 C ATOM 1214 C PHE A 75 11.536 13.323 6.155 1.00 0.57 C ATOM 1215 O PHE A 75 11.741 14.277 6.909 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.183 12.615 4.058 1.00 0.14 C ATOM 1217 CG PHE A 75 9.304 11.470 3.578 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 9.186 10.261 4.295 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.676 11.588 2.326 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 8.367 9.226 3.808 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.880 10.547 1.824 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.696 9.384 2.583 1.00 -0.15 C ATOM 0 H PHE A 75 8.935 14.518 4.907 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.802 12.081 6.101 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.905 13.508 3.498 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.214 12.380 3.793 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.726 10.129 5.221 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.807 12.489 1.745 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 8.254 8.313 4.374 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 7.411 10.642 0.856 1.00 -0.15 H new ATOM 0 HZ PHE A 75 7.037 8.607 2.226 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.488 12.478 5.801 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.806 12.276 6.368 1.00 0.36 C ATOM 1234 C ASP A 76 14.805 12.184 5.204 1.00 0.57 C ATOM 1235 O ASP A 76 15.832 12.863 5.240 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.764 10.936 7.159 1.00 0.06 C ATOM 1237 CG ASP A 76 13.083 9.754 6.441 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.477 9.940 5.399 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 13.161 8.527 6.949 1.00 -0.65 O ATOM 0 H ASP A 76 12.335 11.844 5.017 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.103 13.087 7.033 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.786 10.648 7.403 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.248 11.109 8.103 1.00 0.06 H new ATOM 1245 N GLY A 77 14.507 11.409 4.151 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.408 11.198 3.017 1.00 0.36 C ATOM 1247 C GLY A 77 16.021 9.793 3.083 1.00 0.57 C ATOM 1248 O GLY A 77 15.329 8.882 3.525 1.00 -0.57 O ATOM 0 H GLY A 77 13.623 10.907 4.065 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.862 11.321 2.082 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.198 11.949 3.026 1.00 0.36 H new ATOM 1252 N PRO A 78 17.275 9.571 2.647 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.881 8.246 2.510 1.00 0.36 C ATOM 1254 C PRO A 78 18.280 7.636 3.873 1.00 0.57 C ATOM 1255 O PRO A 78 19.432 7.746 4.300 1.00 -0.57 O ATOM 1256 CB PRO A 78 19.056 8.447 1.546 1.00 0.00 C ATOM 1257 CG PRO A 78 19.487 9.897 1.777 1.00 0.00 C ATOM 1258 CD PRO A 78 18.219 10.605 2.255 1.00 0.30 C ATOM 0 HA PRO A 78 17.181 7.510 2.113 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.868 7.752 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.755 8.281 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.281 9.961 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.871 10.347 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.439 11.264 3.095 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.803 11.227 1.462 1.00 0.30 H new ATOM 1266 N GLY A 79 17.327 7.014 4.573 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.463 6.328 5.855 1.00 0.36 C ATOM 1268 C GLY A 79 16.124 6.356 6.606 1.00 0.57 C ATOM 1269 O GLY A 79 15.250 7.119 6.219 1.00 -0.57 O ATOM 0 H GLY A 79 16.368 6.976 4.229 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.778 5.297 5.694 1.00 0.36 H new ATOM 0 HA3 GLY A 79 18.236 6.808 6.454 1.00 0.36 H new ATOM 1273 N ASN A 80 15.981 5.594 7.701 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.754 5.482 8.520 1.00 0.36 C ATOM 1275 C ASN A 80 13.510 5.086 7.680 1.00 0.57 C ATOM 1276 O ASN A 80 13.634 4.232 6.803 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.603 6.739 9.410 1.00 0.06 C ATOM 1278 CG ASN A 80 13.718 6.518 10.637 1.00 0.57 C ATOM 1279 OD1 ASN A 80 14.012 5.707 11.515 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.610 7.238 10.749 1.00 -0.80 N ATOM 0 H ASN A 80 16.742 5.016 8.058 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.846 4.643 9.209 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.591 7.062 9.738 1.00 0.06 H new ATOM 0 HB3 ASN A 80 14.185 7.549 8.812 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.004 7.119 11.561 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.364 7.911 10.023 1.00 -0.80 H new ATOM 1287 N THR A 81 12.305 5.589 7.992 1.00 -0.73 N ATOM 1288 CA THR A 81 11.029 5.358 7.297 1.00 0.36 C ATOM 1289 C THR A 81 11.176 5.524 5.773 1.00 0.57 C ATOM 1290 O THR A 81 11.765 6.497 5.335 1.00 -0.57 O ATOM 1291 CB THR A 81 10.025 6.395 7.858 1.00 0.28 C ATOM 1292 OG1 THR A 81 10.079 6.407 9.274 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.564 6.161 7.460 1.00 0.00 C ATOM 0 H THR A 81 12.189 6.211 8.792 1.00 -0.73 H new ATOM 0 HA THR A 81 10.686 4.337 7.466 1.00 0.36 H new ATOM 0 HB THR A 81 10.336 7.343 7.419 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.442 7.067 9.620 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.938 6.937 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.473 6.194 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.240 5.185 7.822 1.00 0.00 H new ATOM 1301 N LEU A 82 10.615 4.639 4.939 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.782 4.688 3.479 1.00 0.36 C ATOM 1303 C LEU A 82 9.561 5.290 2.767 1.00 0.57 C ATOM 1304 O LEU A 82 9.710 5.939 1.728 1.00 -0.57 O ATOM 1305 CB LEU A 82 11.064 3.273 2.930 1.00 0.00 C ATOM 1306 CG LEU A 82 12.242 2.519 3.587 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.495 1.188 2.876 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.541 3.313 3.529 1.00 0.00 C ATOM 0 H LEU A 82 10.031 3.866 5.258 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.631 5.341 3.276 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.162 2.672 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.259 3.351 1.860 1.00 0.00 H new ATOM 0 HG LEU A 82 11.955 2.363 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.328 0.673 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.601 0.567 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.736 1.375 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.338 2.741 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.803 3.507 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.412 4.260 4.053 1.00 0.00 H new ATOM 1320 N ALA A 83 8.353 5.072 3.299 1.00 -0.73 N ATOM 1321 CA ALA A 83 7.105 5.572 2.735 1.00 0.36 C ATOM 1322 C ALA A 83 6.024 5.547 3.825 1.00 0.57 C ATOM 1323 O ALA A 83 6.171 4.812 4.800 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.732 4.720 1.513 1.00 0.00 C ATOM 0 H ALA A 83 8.219 4.530 4.153 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.208 6.603 2.396 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.799 5.087 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.525 4.786 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.607 3.681 1.818 1.00 0.00 H new ATOM 1330 N HIS A 84 4.954 6.334 3.694 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.822 6.276 4.615 1.00 0.36 C ATOM 1332 C HIS A 84 2.490 6.450 3.888 1.00 0.57 C ATOM 1333 O HIS A 84 2.435 6.974 2.775 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.989 7.294 5.758 1.00 0.17 C ATOM 1335 CG HIS A 84 4.035 8.772 5.418 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.738 9.699 6.150 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.344 9.476 4.457 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.509 10.911 5.618 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.652 10.834 4.588 1.00 -0.70 N ATOM 0 H HIS A 84 4.850 7.025 2.951 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.808 5.281 5.060 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.168 7.142 6.459 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.909 7.048 6.287 1.00 0.17 H new ATOM 0 HD2 HIS A 84 2.675 9.050 3.724 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.956 11.828 5.973 1.00 0.65 H new ATOM 0 HE2 HIS A 84 3.299 11.604 4.020 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.396 6.103 4.571 1.00 -0.73 N ATOM 1349 CA ALA A 85 0.052 6.223 4.040 1.00 0.36 C ATOM 1350 C ALA A 85 -0.920 6.628 5.140 1.00 0.57 C ATOM 1351 O ALA A 85 -0.678 6.398 6.333 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.352 4.895 3.391 1.00 0.00 C ATOM 0 H ALA A 85 1.428 5.727 5.519 1.00 -0.73 H new ATOM 0 HA ALA A 85 0.024 7.004 3.280 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.362 4.979 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.341 4.659 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.323 4.101 4.138 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.029 7.232 4.715 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.047 7.769 5.602 1.00 0.36 C ATOM 1360 C PHE A 86 -4.279 6.860 5.551 1.00 0.57 C ATOM 1361 O PHE A 86 -4.529 6.191 4.547 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.367 9.213 5.182 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.152 10.068 4.829 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.073 10.217 5.725 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.066 10.656 3.556 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 0.066 10.950 5.338 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -0.941 11.401 3.173 1.00 -0.15 C ATOM 1368 CZ PHE A 86 0.129 11.554 4.071 1.00 -0.15 C ATOM 0 H PHE A 86 -2.244 7.362 3.726 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.696 7.796 6.634 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.035 9.185 4.321 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -3.911 9.699 5.992 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.120 9.770 6.707 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -2.882 10.532 2.859 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.897 11.048 6.020 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -0.897 11.854 2.194 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.996 12.133 3.789 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.063 6.829 6.631 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.282 6.027 6.676 1.00 0.36 C ATOM 1380 C ALA A 87 -7.354 6.638 5.756 1.00 0.57 C ATOM 1381 O ALA A 87 -7.382 7.862 5.611 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.774 5.977 8.120 1.00 0.00 C ATOM 0 H ALA A 87 -4.873 7.352 7.486 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.078 5.016 6.324 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.685 5.381 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.008 5.525 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.981 6.989 8.469 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.238 5.832 5.138 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.252 6.324 4.213 1.00 0.36 C ATOM 1390 C PRO A 88 -10.336 7.138 4.928 1.00 0.57 C ATOM 1391 O PRO A 88 -10.668 6.865 6.083 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.826 5.077 3.541 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.560 3.938 4.513 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.325 4.389 5.288 1.00 0.30 C ATOM 0 HA PRO A 88 -8.824 7.011 3.483 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -10.893 5.189 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.347 4.893 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.409 3.774 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.380 3.000 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.407 4.114 6.340 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.428 3.905 4.901 1.00 0.30 H new ATOM 1402 N GLY A 89 -10.919 8.115 4.222 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.108 8.832 4.672 1.00 0.36 C ATOM 1404 C GLY A 89 -12.136 10.272 4.165 1.00 0.57 C ATOM 1405 O GLY A 89 -12.945 10.614 3.299 1.00 -0.57 O ATOM 0 H GLY A 89 -10.572 8.429 3.316 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.999 8.309 4.326 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.141 8.831 5.762 1.00 0.36 H new ATOM 1409 N THR A 90 -11.247 11.112 4.708 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.078 12.507 4.307 1.00 0.36 C ATOM 1411 C THR A 90 -10.338 12.576 2.957 1.00 0.57 C ATOM 1412 O THR A 90 -9.732 11.597 2.529 1.00 -0.57 O ATOM 1413 CB THR A 90 -10.317 13.261 5.424 1.00 0.28 C ATOM 1414 OG1 THR A 90 -10.867 12.995 6.708 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -10.319 14.781 5.245 1.00 0.00 C ATOM 0 H THR A 90 -10.612 10.831 5.455 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.048 12.986 4.171 1.00 0.36 H new ATOM 0 HB THR A 90 -9.295 12.890 5.349 1.00 0.28 H new ATOM 0 HG1 THR A 90 -10.361 13.486 7.389 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.768 15.244 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.844 15.036 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.346 15.146 5.246 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.343 13.747 2.306 1.00 -0.73 N ATOM 1424 CA GLY A 91 -9.675 13.992 1.031 1.00 0.36 C ATOM 1425 C GLY A 91 -8.203 13.566 0.984 1.00 0.57 C ATOM 1426 O GLY A 91 -7.837 12.894 0.025 1.00 -0.57 O ATOM 0 H GLY A 91 -10.827 14.570 2.666 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.217 13.464 0.246 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -9.738 15.056 0.802 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.375 13.936 1.980 1.00 -0.73 N ATOM 1431 CA LEU A 92 -5.991 13.438 2.122 1.00 0.36 C ATOM 1432 C LEU A 92 -5.976 11.982 2.613 1.00 0.57 C ATOM 1433 O LEU A 92 -5.039 11.239 2.348 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.200 14.316 3.120 1.00 0.00 C ATOM 1435 CG LEU A 92 -3.697 13.937 3.269 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -2.771 14.906 2.529 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.295 13.851 4.746 1.00 0.00 C ATOM 0 H LEU A 92 -7.648 14.592 2.712 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.521 13.487 1.140 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.269 15.356 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.676 14.250 4.098 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.580 12.956 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.735 14.595 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.014 14.901 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.904 15.912 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.241 13.585 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.461 14.816 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.897 13.091 5.243 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.014 11.556 3.336 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.145 10.176 3.766 1.00 0.36 C ATOM 1451 C GLY A 93 -6.950 9.217 2.591 1.00 0.57 C ATOM 1452 O GLY A 93 -7.224 9.563 1.435 1.00 -0.57 O ATOM 0 H GLY A 93 -7.780 12.160 3.635 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.410 9.961 4.542 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.129 10.021 4.208 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.421 8.034 2.901 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.084 6.989 1.947 1.00 0.36 C ATOM 1458 C GLY A 94 -4.786 7.247 1.192 1.00 0.57 C ATOM 1459 O GLY A 94 -4.134 6.295 0.772 1.00 -0.57 O ATOM 0 H GLY A 94 -6.209 7.771 3.863 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.005 6.039 2.475 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.898 6.888 1.229 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.414 8.512 0.990 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.304 8.850 0.111 1.00 0.36 C ATOM 1465 C ASP A 95 -2.007 8.335 0.728 1.00 0.57 C ATOM 1466 O ASP A 95 -1.895 8.176 1.950 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.298 10.366 -0.179 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.627 10.779 -0.822 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.162 10.001 -1.595 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.232 11.928 -0.534 1.00 -0.65 O ATOM 0 H ASP A 95 -4.867 9.316 1.425 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.412 8.363 -0.858 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.143 10.921 0.746 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.470 10.615 -0.843 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.029 8.052 -0.131 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.245 7.494 0.279 1.00 0.36 C ATOM 1478 C ALA A 96 1.377 8.298 -0.340 1.00 0.57 C ATOM 1479 O ALA A 96 1.248 8.846 -1.442 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.309 6.009 -0.093 1.00 0.00 C ATOM 0 H ALA A 96 -1.105 8.207 -1.136 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.352 7.558 1.362 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.269 5.597 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.496 5.473 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.200 5.899 -1.172 1.00 0.00 H new ATOM 1486 N HIS A 97 2.505 8.352 0.367 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.659 9.102 -0.073 1.00 0.36 C ATOM 1488 C HIS A 97 4.946 8.345 0.224 1.00 0.57 C ATOM 1489 O HIS A 97 5.023 7.605 1.198 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.734 10.483 0.574 1.00 0.17 C ATOM 1491 CG HIS A 97 2.614 11.467 0.337 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.187 12.392 1.274 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.005 11.763 -0.855 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.311 13.206 0.655 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.175 12.848 -0.632 1.00 -0.70 N ATOM 0 H HIS A 97 2.635 7.874 1.259 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.547 9.232 -1.149 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.821 10.337 1.651 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.660 10.952 0.240 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.146 11.246 -1.793 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.793 14.028 1.126 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.570 13.295 -1.321 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.968 8.585 -0.598 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.169 7.764 -0.682 1.00 0.36 C ATOM 1506 C PHE A 98 8.394 8.681 -0.802 1.00 0.57 C ATOM 1507 O PHE A 98 8.313 9.731 -1.446 1.00 -0.57 O ATOM 1508 CB PHE A 98 7.046 6.882 -1.936 1.00 0.14 C ATOM 1509 CG PHE A 98 5.887 5.892 -1.968 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.569 6.341 -2.194 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.121 4.517 -1.779 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.490 5.448 -2.106 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.043 3.612 -1.760 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.726 4.081 -1.901 1.00 -0.15 C ATOM 0 H PHE A 98 5.980 9.378 -1.240 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.282 7.141 0.205 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.959 7.536 -2.804 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.974 6.322 -2.050 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.389 7.378 -2.436 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.130 4.155 -1.648 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.478 5.814 -2.196 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.229 2.555 -1.637 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.897 3.390 -1.852 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.529 8.298 -0.209 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.785 9.017 -0.425 1.00 0.36 C ATOM 1526 C ASP A 99 11.304 8.654 -1.816 1.00 0.57 C ATOM 1527 O ASP A 99 11.820 7.555 -1.985 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.854 8.596 0.595 1.00 0.06 C ATOM 1529 CG ASP A 99 11.956 9.452 1.843 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.874 10.663 1.724 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.265 8.790 2.954 1.00 -0.65 O ATOM 0 H ASP A 99 9.602 7.499 0.420 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.596 10.085 -0.320 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.653 7.569 0.899 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.824 8.598 0.097 1.00 0.06 H new ATOM 1537 N GLU A 100 11.244 9.541 -2.817 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.947 9.305 -4.091 1.00 0.36 C ATOM 1539 C GLU A 100 13.473 9.218 -3.889 1.00 0.57 C ATOM 1540 O GLU A 100 14.179 8.697 -4.747 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.597 10.360 -5.167 1.00 0.00 C ATOM 1542 CG GLU A 100 11.831 11.818 -4.732 1.00 0.06 C ATOM 1543 CD GLU A 100 12.180 12.773 -5.885 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.337 13.570 -6.261 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.420 12.716 -6.363 1.00 -0.65 O ATOM 0 H GLU A 100 10.725 10.418 -2.775 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.595 8.341 -4.459 1.00 0.36 H new ATOM 0 HB2 GLU A 100 12.190 10.161 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.550 10.241 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.935 12.184 -4.231 1.00 0.06 H new ATOM 0 HG3 GLU A 100 12.638 11.841 -3.999 1.00 0.06 H new ATOM 1553 N ASP A 101 13.970 9.738 -2.758 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.384 9.770 -2.391 1.00 0.36 C ATOM 1555 C ASP A 101 15.938 8.358 -2.148 1.00 0.57 C ATOM 1556 O ASP A 101 17.014 7.997 -2.646 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.517 10.624 -1.119 1.00 0.06 C ATOM 1558 CG ASP A 101 16.908 11.236 -0.958 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.945 12.400 -0.595 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.972 10.471 -1.187 1.00 -0.65 O ATOM 0 H ASP A 101 13.371 10.163 -2.050 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.963 10.199 -3.208 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.775 11.422 -1.144 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.293 10.008 -0.248 1.00 0.06 H new ATOM 1566 N GLU A 102 15.161 7.554 -1.409 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.455 6.159 -1.112 1.00 0.36 C ATOM 1568 C GLU A 102 15.370 5.412 -2.443 1.00 0.57 C ATOM 1569 O GLU A 102 14.349 5.476 -3.121 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.438 5.592 -0.099 1.00 0.00 C ATOM 1571 CG GLU A 102 14.399 6.318 1.259 1.00 0.06 C ATOM 1572 CD GLU A 102 15.312 5.781 2.364 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.980 6.081 3.499 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.413 5.095 2.069 1.00 -0.65 O ATOM 0 H GLU A 102 14.286 7.873 -0.992 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.442 6.049 -0.662 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.444 5.632 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.668 4.541 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.652 7.365 1.090 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.373 6.293 1.626 1.00 0.06 H new ATOM 1582 N ARG A 103 16.440 4.731 -2.860 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.455 4.051 -4.154 1.00 0.36 C ATOM 1584 C ARG A 103 15.407 2.933 -4.160 1.00 0.57 C ATOM 1585 O ARG A 103 15.456 2.087 -3.266 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.847 3.462 -4.412 1.00 0.00 C ATOM 1587 CG ARG A 103 18.119 3.352 -5.917 1.00 0.00 C ATOM 1588 CD ARG A 103 19.132 2.244 -6.227 1.00 0.33 C ATOM 1589 NE ARG A 103 20.286 2.739 -6.981 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.355 3.369 -6.484 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.415 3.720 -5.194 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.357 3.636 -7.319 1.00 -0.97 N ATOM 0 H ARG A 103 17.302 4.637 -2.323 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.219 4.767 -4.941 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.605 4.091 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.922 2.477 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.186 3.150 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.495 4.305 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.475 1.798 -5.294 1.00 0.33 H new ATOM 0 HD3 ARG A 103 18.641 1.455 -6.796 1.00 0.33 H new ATOM 0 HE ARG A 103 20.273 2.587 -7.990 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.636 3.507 -4.571 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.240 4.200 -4.834 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.291 3.361 -8.299 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.190 4.115 -6.979 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.542 2.878 -5.182 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.496 1.861 -5.335 1.00 0.36 C ATOM 1608 C TRP A 104 13.892 0.885 -6.446 1.00 0.57 C ATOM 1609 O TRP A 104 14.610 1.280 -7.367 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.145 2.525 -5.661 1.00 0.18 C ATOM 1611 CG TRP A 104 11.648 3.503 -4.641 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.907 4.829 -4.644 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.921 3.254 -3.394 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.417 5.398 -3.495 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.856 4.473 -2.657 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.369 2.115 -2.769 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.353 4.555 -1.352 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.819 2.192 -1.474 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.832 3.399 -0.753 1.00 -0.15 C ATOM 0 H TRP A 104 14.552 3.557 -5.943 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.390 1.314 -4.398 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.233 3.038 -6.619 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.396 1.743 -5.786 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.421 5.361 -5.431 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.465 6.396 -3.289 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.368 1.170 -3.292 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.366 5.493 -0.816 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.381 1.311 -1.029 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.444 3.436 0.254 1.00 -0.15 H new ATOM 1630 N THR A 105 13.401 -0.362 -6.398 1.00 -0.73 N ATOM 1631 CA THR A 105 13.681 -1.370 -7.427 1.00 0.36 C ATOM 1632 C THR A 105 12.347 -1.955 -7.914 1.00 0.57 C ATOM 1633 O THR A 105 11.429 -2.160 -7.115 1.00 -0.57 O ATOM 1634 CB THR A 105 14.697 -2.397 -6.857 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.538 -2.935 -7.855 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.076 -3.569 -6.090 1.00 0.00 C ATOM 0 H THR A 105 12.800 -0.698 -5.646 1.00 -0.73 H new ATOM 0 HA THR A 105 14.159 -0.951 -8.313 1.00 0.36 H new ATOM 0 HB THR A 105 15.270 -1.798 -6.149 1.00 0.28 H new ATOM 0 HG1 THR A 105 16.160 -3.574 -7.449 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.866 -4.229 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.509 -3.188 -5.240 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.410 -4.124 -6.751 1.00 0.00 H new ATOM 1644 N ASP A 106 12.217 -2.235 -9.217 1.00 -0.73 N ATOM 1645 CA ASP A 106 11.044 -2.849 -9.851 1.00 0.36 C ATOM 1646 C ASP A 106 11.166 -4.379 -9.814 1.00 0.57 C ATOM 1647 O ASP A 106 10.891 -5.060 -10.799 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.843 -2.306 -11.287 1.00 0.06 C ATOM 1649 CG ASP A 106 12.002 -2.584 -12.264 1.00 0.66 C ATOM 1650 OD1 ASP A 106 13.130 -2.422 -11.828 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.702 -2.881 -13.525 1.00 -0.65 O ATOM 0 H ASP A 106 12.959 -2.031 -9.887 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.151 -2.577 -9.289 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.931 -2.740 -11.698 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.686 -1.229 -11.232 1.00 0.06 H new ATOM 1657 N GLY A 107 11.615 -4.922 -8.675 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.853 -6.349 -8.509 1.00 0.36 C ATOM 1659 C GLY A 107 13.153 -6.766 -9.194 1.00 0.57 C ATOM 1660 O GLY A 107 13.126 -7.375 -10.263 1.00 -0.57 O ATOM 0 H GLY A 107 11.823 -4.373 -7.841 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.902 -6.593 -7.448 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.019 -6.912 -8.928 1.00 0.36 H new ATOM 1664 N SER A 108 14.297 -6.440 -8.581 1.00 -0.73 N ATOM 1665 CA SER A 108 15.622 -6.765 -9.097 1.00 0.36 C ATOM 1666 C SER A 108 16.531 -7.158 -7.925 1.00 0.57 C ATOM 1667 O SER A 108 16.098 -7.123 -6.771 1.00 -0.57 O ATOM 1668 CB SER A 108 16.162 -5.555 -9.882 1.00 0.28 C ATOM 1669 OG SER A 108 16.978 -5.947 -10.973 1.00 -0.68 O ATOM 0 H SER A 108 14.323 -5.933 -7.696 1.00 -0.73 H new ATOM 0 HA SER A 108 15.583 -7.612 -9.782 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.326 -4.960 -10.251 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.737 -4.916 -9.212 1.00 0.28 H new ATOM 0 HG SER A 108 17.298 -5.150 -11.445 1.00 -0.68 H new ATOM 1675 N SER A 109 17.781 -7.534 -8.222 1.00 -0.73 N ATOM 1676 CA SER A 109 18.794 -7.852 -7.220 1.00 0.36 C ATOM 1677 C SER A 109 19.005 -6.667 -6.273 1.00 0.57 C ATOM 1678 O SER A 109 19.415 -5.604 -6.740 1.00 -0.57 O ATOM 1679 CB SER A 109 20.125 -8.163 -7.917 1.00 0.28 C ATOM 1680 OG SER A 109 20.121 -9.431 -8.558 1.00 -0.68 O ATOM 0 H SER A 109 18.117 -7.626 -9.181 1.00 -0.73 H new ATOM 0 HA SER A 109 18.453 -8.715 -6.648 1.00 0.36 H new ATOM 0 HB2 SER A 109 20.335 -7.388 -8.654 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.931 -8.133 -7.184 1.00 0.28 H new ATOM 0 HG SER A 109 20.988 -9.583 -8.988 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.818 -6.891 -4.961 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.889 -5.885 -3.895 1.00 0.36 C ATOM 1688 C LEU A 110 17.902 -4.717 -4.115 1.00 0.57 C ATOM 1689 O LEU A 110 17.223 -4.603 -5.137 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.345 -5.392 -3.666 1.00 0.00 C ATOM 1691 CG LEU A 110 21.369 -6.353 -3.015 1.00 0.00 C ATOM 1692 CD1 LEU A 110 20.995 -6.706 -1.568 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.634 -7.632 -3.819 1.00 0.00 C ATOM 0 H LEU A 110 18.604 -7.821 -4.602 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.571 -6.379 -2.977 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.746 -5.090 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.296 -4.496 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 110 22.302 -5.789 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.743 -7.382 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.958 -5.796 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 110 20.019 -7.191 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.363 -8.248 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.704 -8.188 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.024 -7.369 -4.802 1.00 0.00 H new ATOM 1705 N GLY A 111 17.806 -3.845 -3.106 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.839 -2.758 -3.069 1.00 0.36 C ATOM 1707 C GLY A 111 15.466 -3.247 -2.610 1.00 0.57 C ATOM 1708 O GLY A 111 15.215 -4.447 -2.484 1.00 -0.57 O ATOM 0 H GLY A 111 18.409 -3.880 -2.284 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.193 -1.978 -2.395 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.755 -2.310 -4.059 1.00 0.36 H new ATOM 1712 N ILE A 112 14.570 -2.298 -2.338 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.229 -2.585 -1.850 1.00 0.36 C ATOM 1714 C ILE A 112 12.259 -2.567 -3.036 1.00 0.57 C ATOM 1715 O ILE A 112 12.211 -1.596 -3.798 1.00 -0.57 O ATOM 1716 CB ILE A 112 12.832 -1.645 -0.685 1.00 0.00 C ATOM 1717 CG1 ILE A 112 12.397 -0.213 -1.059 1.00 0.00 C ATOM 1718 CG2 ILE A 112 13.911 -1.608 0.415 1.00 0.00 C ATOM 1719 CD1 ILE A 112 13.464 0.655 -1.715 1.00 0.00 C ATOM 0 H ILE A 112 14.760 -1.302 -2.452 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.190 -3.583 -1.413 1.00 0.36 H new ATOM 0 HB ILE A 112 11.922 -2.111 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.543 -0.278 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.052 0.289 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.594 -0.937 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 112 14.054 -2.610 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 112 14.850 -1.250 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.049 1.639 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.312 0.762 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.795 0.186 -2.642 1.00 0.00 H new ATOM 1731 N ASN A 113 11.536 -3.675 -3.232 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.595 -3.805 -4.336 1.00 0.36 C ATOM 1733 C ASN A 113 9.449 -2.806 -4.190 1.00 0.57 C ATOM 1734 O ASN A 113 8.692 -2.853 -3.217 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.092 -5.245 -4.437 1.00 0.06 C ATOM 1736 CG ASN A 113 9.228 -5.521 -5.665 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.760 -4.619 -6.351 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.004 -6.790 -5.973 1.00 -0.80 N ATOM 0 H ASN A 113 11.590 -4.498 -2.632 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.108 -3.570 -5.269 1.00 0.36 H new ATOM 0 HB2 ASN A 113 10.950 -5.917 -4.451 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.517 -5.481 -3.542 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.437 -7.025 -6.788 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.398 -7.532 -5.395 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.311 -1.938 -5.194 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.226 -0.979 -5.292 1.00 0.36 C ATOM 1747 C PHE A 114 6.857 -1.651 -5.157 1.00 0.57 C ATOM 1748 O PHE A 114 5.988 -1.116 -4.477 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.326 -0.240 -6.634 1.00 0.14 C ATOM 1750 CG PHE A 114 7.200 0.757 -6.820 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.937 0.335 -7.289 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.378 2.082 -6.392 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.846 1.220 -7.281 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.284 2.958 -6.377 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.015 2.527 -6.800 1.00 -0.15 C ATOM 0 H PHE A 114 9.967 -1.887 -5.973 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.319 -0.271 -4.469 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.283 0.279 -6.691 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.307 -0.964 -7.449 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.809 -0.673 -7.656 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.352 2.424 -6.076 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.882 0.896 -7.643 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.418 3.974 -6.037 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.172 3.200 -6.755 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.644 -2.804 -5.803 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.348 -3.481 -5.813 1.00 0.36 C ATOM 1767 C LEU A 115 4.989 -3.938 -4.395 1.00 0.57 C ATOM 1768 O LEU A 115 3.883 -3.670 -3.931 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.396 -4.620 -6.853 1.00 0.00 C ATOM 1770 CG LEU A 115 4.290 -5.689 -6.783 1.00 0.00 C ATOM 1771 CD1 LEU A 115 2.862 -5.142 -6.769 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.428 -6.649 -7.968 1.00 0.00 C ATOM 0 H LEU A 115 7.367 -3.291 -6.332 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.546 -2.808 -6.116 1.00 0.36 H new ATOM 0 HB2 LEU A 115 5.369 -4.171 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.358 -5.124 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 115 4.438 -6.191 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.155 -5.970 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.728 -4.497 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.683 -4.568 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.644 -7.405 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.335 -6.092 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.403 -7.134 -7.931 1.00 0.00 H new ATOM 1784 N TYR A 116 5.933 -4.558 -3.676 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.748 -4.916 -2.271 1.00 0.36 C ATOM 1786 C TYR A 116 5.403 -3.662 -1.456 1.00 0.57 C ATOM 1787 O TYR A 116 4.429 -3.671 -0.695 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.018 -5.622 -1.762 1.00 0.14 C ATOM 1789 CG TYR A 116 6.998 -6.105 -0.317 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.943 -5.176 0.739 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.115 -7.477 -0.015 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.981 -5.608 2.074 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.191 -7.916 1.319 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.130 -6.973 2.373 1.00 0.08 C ATOM 1795 OH TYR A 116 7.236 -7.350 3.679 1.00 -0.53 O ATOM 0 H TYR A 116 6.843 -4.823 -4.054 1.00 -0.73 H new ATOM 0 HA TYR A 116 4.914 -5.608 -2.157 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.212 -6.480 -2.405 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.859 -4.938 -1.881 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.871 -4.121 0.520 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.147 -8.199 -0.817 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.895 -4.888 2.875 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.295 -8.968 1.538 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.333 -8.324 3.732 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.177 -2.579 -1.632 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.964 -1.330 -0.910 1.00 0.36 C ATOM 1807 C ALA A 117 4.560 -0.787 -1.167 1.00 0.57 C ATOM 1808 O ALA A 117 3.851 -0.425 -0.228 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.003 -0.293 -1.346 1.00 0.00 C ATOM 0 H ALA A 117 6.965 -2.552 -2.279 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.071 -1.528 0.156 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.838 0.638 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.004 -0.667 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.908 -0.110 -2.416 1.00 0.00 H new ATOM 1815 N ALA A 118 4.150 -0.767 -2.439 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.834 -0.327 -2.841 1.00 0.36 C ATOM 1817 C ALA A 118 1.779 -1.206 -2.173 1.00 0.57 C ATOM 1818 O ALA A 118 0.927 -0.657 -1.492 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.716 -0.324 -4.367 1.00 0.00 C ATOM 0 H ALA A 118 4.738 -1.062 -3.218 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.667 0.699 -2.512 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.719 0.010 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.460 0.352 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.885 -1.332 -4.747 1.00 0.00 H new ATOM 1825 N THR A 119 1.853 -2.539 -2.272 1.00 -0.73 N ATOM 1826 CA THR A 119 0.884 -3.426 -1.624 1.00 0.36 C ATOM 1827 C THR A 119 0.761 -3.139 -0.123 1.00 0.57 C ATOM 1828 O THR A 119 -0.363 -3.127 0.383 1.00 -0.57 O ATOM 1829 CB THR A 119 1.242 -4.896 -1.902 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.160 -5.104 -3.299 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.293 -5.894 -1.221 1.00 0.00 C ATOM 0 H THR A 119 2.578 -3.027 -2.798 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.098 -3.229 -2.054 1.00 0.36 H new ATOM 0 HB THR A 119 2.241 -5.071 -1.502 1.00 0.28 H new ATOM 0 HG1 THR A 119 1.948 -4.716 -3.734 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.603 -6.911 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.325 -5.748 -0.141 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.724 -5.732 -1.579 1.00 0.00 H new ATOM 1839 N HIS A 120 1.877 -2.867 0.569 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.870 -2.472 1.976 1.00 0.36 C ATOM 1841 C HIS A 120 1.073 -1.173 2.167 1.00 0.57 C ATOM 1842 O HIS A 120 0.140 -1.117 2.968 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.333 -2.386 2.472 1.00 0.17 C ATOM 1844 CG HIS A 120 3.512 -2.107 3.946 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.361 -2.769 4.817 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.885 -1.127 4.662 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.216 -2.204 6.033 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.307 -1.218 5.961 1.00 -0.70 N ATOM 0 H HIS A 120 2.811 -2.916 0.162 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.361 -3.217 2.587 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.833 -3.326 2.236 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.842 -1.604 1.909 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.983 -3.543 4.582 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.181 -0.407 4.272 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.748 -2.499 6.926 1.00 0.65 H new ATOM 1857 N GLU A 121 1.449 -0.110 1.459 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.900 1.233 1.648 1.00 0.36 C ATOM 1859 C GLU A 121 -0.573 1.297 1.229 1.00 0.57 C ATOM 1860 O GLU A 121 -1.421 1.829 1.945 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.744 2.190 0.799 1.00 0.00 C ATOM 1862 CG GLU A 121 3.193 2.265 1.302 1.00 0.06 C ATOM 1863 CD GLU A 121 3.321 3.320 2.379 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.048 3.005 3.526 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.708 4.524 1.967 1.00 -0.65 O ATOM 0 H GLU A 121 2.156 -0.158 0.725 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.939 1.510 2.701 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.736 1.859 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.299 3.185 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.499 1.296 1.695 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.861 2.499 0.473 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.877 0.696 0.076 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.216 0.565 -0.485 1.00 0.36 C ATOM 1875 C LEU A 122 -3.102 -0.304 0.411 1.00 0.57 C ATOM 1876 O LEU A 122 -4.321 -0.141 0.422 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.137 -0.062 -1.885 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.748 0.867 -3.059 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.623 1.894 -2.838 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.369 -0.029 -4.244 1.00 0.00 C ATOM 0 H LEU A 122 -0.163 0.270 -0.515 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.655 1.560 -0.551 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.416 -0.879 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.107 -0.503 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.626 1.493 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.469 2.468 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.900 2.569 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.299 1.374 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.088 0.592 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.529 -0.665 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.221 -0.652 -4.516 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.513 -1.212 1.198 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.260 -1.907 2.226 1.00 0.36 C ATOM 1894 C GLY A 123 -3.864 -0.922 3.209 1.00 0.57 C ATOM 1895 O GLY A 123 -5.078 -0.919 3.415 1.00 -0.57 O ATOM 0 H GLY A 123 -1.529 -1.474 1.136 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.050 -2.503 1.769 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.604 -2.599 2.754 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.045 -0.017 3.753 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.556 1.018 4.640 1.00 0.36 C ATOM 1901 C HIS A 124 -4.548 1.927 3.917 1.00 0.57 C ATOM 1902 O HIS A 124 -5.574 2.247 4.519 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.420 1.822 5.268 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.494 0.952 6.072 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.815 0.299 7.236 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.208 0.612 5.755 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.737 -0.412 7.613 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.275 -0.250 6.746 1.00 -0.70 N ATOM 0 H HIS A 124 -2.038 0.016 3.594 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.093 0.523 5.449 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.855 2.326 4.484 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.837 2.599 5.909 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.708 0.345 7.726 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.341 0.951 4.889 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.692 -1.031 8.497 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.204 -0.669 6.799 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.296 2.267 2.640 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.214 3.085 1.847 1.00 0.36 C ATOM 1919 C SER A 125 -6.606 2.460 1.737 1.00 0.57 C ATOM 1920 O SER A 125 -7.601 3.179 1.648 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.655 3.400 0.449 1.00 0.28 C ATOM 1922 OG SER A 125 -4.972 2.446 -0.543 1.00 -0.68 O ATOM 0 H SER A 125 -3.455 1.982 2.137 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.314 4.026 2.388 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.033 4.372 0.132 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.571 3.486 0.517 1.00 0.28 H new ATOM 0 HG SER A 125 -4.778 1.547 -0.206 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.684 1.123 1.747 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.950 0.416 1.717 1.00 0.36 C ATOM 1930 C LEU A 126 -8.708 0.551 3.039 1.00 0.57 C ATOM 1931 O LEU A 126 -9.934 0.641 3.029 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.727 -1.075 1.402 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.447 -1.578 0.146 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.945 -1.241 0.150 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.776 -1.049 -1.123 1.00 0.00 C ATOM 0 H LEU A 126 -5.868 0.512 1.776 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.554 0.869 0.931 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.658 -1.252 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.058 -1.666 2.256 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.365 -2.665 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.406 -1.620 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.420 -1.703 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.075 -0.160 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.308 -1.422 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.801 0.041 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.741 -1.388 -1.156 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.992 0.551 4.170 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.583 0.687 5.497 1.00 0.36 C ATOM 1949 C GLY A 127 -7.951 -0.232 6.537 1.00 0.57 C ATOM 1950 O GLY A 127 -8.687 -0.837 7.316 1.00 -0.57 O ATOM 0 H GLY A 127 -6.977 0.455 4.184 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.483 1.721 5.827 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.650 0.474 5.435 1.00 0.36 H new ATOM 1954 N MET A 128 -6.616 -0.355 6.558 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.907 -1.282 7.447 1.00 0.36 C ATOM 1956 C MET A 128 -5.021 -0.519 8.422 1.00 0.57 C ATOM 1957 O MET A 128 -4.473 0.535 8.093 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.054 -2.281 6.642 1.00 0.00 C ATOM 1959 CG MET A 128 -5.672 -3.679 6.585 1.00 0.23 C ATOM 1960 SD MET A 128 -7.367 -3.798 5.964 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.186 -3.112 4.306 1.00 0.23 C ATOM 0 H MET A 128 -5.997 0.188 5.956 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.657 -1.839 8.008 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.924 -1.905 5.627 1.00 0.00 H new ATOM 0 HB3 MET A 128 -4.061 -2.346 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.036 -4.306 5.960 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.648 -4.102 7.589 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.881 -3.608 3.629 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.402 -2.044 4.329 1.00 0.23 H new ATOM 0 HE3 MET A 128 -6.165 -3.269 3.957 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.833 -1.093 9.614 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.012 -0.496 10.657 1.00 0.36 C ATOM 1973 C GLY A 129 -2.563 -0.960 10.576 1.00 0.57 C ATOM 1974 O GLY A 129 -1.685 -0.107 10.645 1.00 -0.57 O ATOM 0 H GLY A 129 -5.249 -1.986 9.878 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.051 0.590 10.572 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.422 -0.754 11.634 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.342 -2.275 10.397 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.078 -3.033 10.441 1.00 0.36 C ATOM 1980 C HIS A 130 -1.358 -4.508 10.765 1.00 0.57 C ATOM 1981 O HIS A 130 -2.485 -4.857 11.129 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.069 -2.455 11.459 1.00 0.17 C ATOM 1983 CG HIS A 130 0.933 -1.519 10.842 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.177 -0.216 11.209 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.747 -1.800 9.782 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.115 0.273 10.381 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.499 -0.663 9.499 1.00 -0.70 N ATOM 0 H HIS A 130 -3.125 -2.897 10.197 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.624 -2.948 9.454 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.615 -1.927 12.241 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.461 -3.277 11.940 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.798 -2.741 9.255 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.506 1.279 10.420 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.202 -0.561 8.767 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.308 -5.339 10.714 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.326 -6.764 11.022 1.00 0.36 C ATOM 1998 C SER A 131 0.582 -7.075 12.228 1.00 0.57 C ATOM 1999 O SER A 131 1.275 -6.190 12.737 1.00 -0.57 O ATOM 2000 CB SER A 131 0.170 -7.560 9.805 1.00 0.28 C ATOM 2001 OG SER A 131 -0.381 -7.148 8.567 1.00 -0.68 O ATOM 0 H SER A 131 0.620 -5.013 10.443 1.00 -0.73 H new ATOM 0 HA SER A 131 -1.349 -7.049 11.267 1.00 0.36 H new ATOM 0 HB2 SER A 131 1.255 -7.476 9.750 1.00 0.28 H new ATOM 0 HB3 SER A 131 -0.061 -8.614 9.958 1.00 0.28 H new ATOM 0 HG SER A 131 0.251 -7.347 7.845 1.00 -0.68 H new ATOM 2007 N SER A 132 0.604 -8.345 12.661 1.00 -0.73 N ATOM 2008 CA SER A 132 1.395 -8.823 13.795 1.00 0.36 C ATOM 2009 C SER A 132 1.966 -10.218 13.471 1.00 0.57 C ATOM 2010 O SER A 132 1.659 -11.196 14.151 1.00 -0.57 O ATOM 2011 CB SER A 132 0.532 -8.793 15.073 1.00 0.28 C ATOM 2012 OG SER A 132 1.320 -8.533 16.219 1.00 -0.68 O ATOM 0 H SER A 132 0.057 -9.083 12.218 1.00 -0.73 H new ATOM 0 HA SER A 132 2.248 -8.170 13.978 1.00 0.36 H new ATOM 0 HB2 SER A 132 -0.238 -8.027 14.977 1.00 0.28 H new ATOM 0 HB3 SER A 132 0.019 -9.748 15.191 1.00 0.28 H new ATOM 0 HG SER A 132 0.747 -8.518 17.014 1.00 -0.68 H new ATOM 2018 N ASP A 133 2.756 -10.322 12.392 1.00 -0.73 N ATOM 2019 CA ASP A 133 3.323 -11.582 11.897 1.00 0.36 C ATOM 2020 C ASP A 133 4.797 -11.320 11.567 1.00 0.57 C ATOM 2021 O ASP A 133 5.091 -10.238 11.056 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.574 -12.033 10.630 1.00 0.06 C ATOM 2023 CG ASP A 133 2.577 -13.544 10.425 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.419 -13.995 9.666 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 1.652 -14.247 11.072 1.00 -0.65 O ATOM 0 H ASP A 133 3.023 -9.515 11.829 1.00 -0.73 H new ATOM 0 HA ASP A 133 3.228 -12.368 12.646 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.543 -11.684 10.684 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.027 -11.556 9.761 1.00 0.06 H new ATOM 2031 N PRO A 134 5.734 -12.257 11.810 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.148 -12.008 11.562 1.00 0.36 C ATOM 2033 C PRO A 134 7.427 -11.847 10.067 1.00 0.57 C ATOM 2034 O PRO A 134 8.260 -11.030 9.693 1.00 -0.57 O ATOM 2035 CB PRO A 134 7.902 -13.196 12.163 1.00 0.00 C ATOM 2036 CG PRO A 134 6.865 -14.317 12.257 1.00 0.00 C ATOM 2037 CD PRO A 134 5.509 -13.614 12.278 1.00 0.30 C ATOM 0 HA PRO A 134 7.475 -11.075 12.021 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.743 -13.488 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.308 -12.950 13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.942 -14.996 11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.012 -14.914 13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.795 -14.131 11.637 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.090 -13.612 13.284 1.00 0.30 H new ATOM 2045 N ASN A 135 6.701 -12.583 9.214 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.836 -12.536 7.758 1.00 0.36 C ATOM 2047 C ASN A 135 5.656 -11.770 7.144 1.00 0.57 C ATOM 2048 O ASN A 135 5.303 -12.022 5.984 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.925 -13.962 7.182 1.00 0.06 C ATOM 2050 CG ASN A 135 8.112 -14.765 7.695 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.258 -14.426 7.411 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.848 -15.846 8.422 1.00 -0.80 N ATOM 0 H ASN A 135 5.988 -13.242 9.528 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.757 -12.010 7.504 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.006 -14.498 7.422 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.984 -13.901 6.095 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.612 -16.428 8.766 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.882 -16.093 8.636 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.014 -10.879 7.917 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.903 -10.081 7.422 1.00 0.36 C ATOM 2061 C ALA A 136 4.375 -9.263 6.224 1.00 0.57 C ATOM 2062 O ALA A 136 5.386 -8.563 6.306 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.324 -9.166 8.516 1.00 0.00 C ATOM 0 H ALA A 136 5.255 -10.700 8.892 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.100 -10.752 7.116 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.497 -8.587 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.965 -9.774 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.100 -8.488 8.872 1.00 0.00 H new ATOM 2069 N VAL A 137 3.623 -9.300 5.124 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.906 -8.405 4.004 1.00 0.36 C ATOM 2071 C VAL A 137 3.620 -6.947 4.415 1.00 0.57 C ATOM 2072 O VAL A 137 4.237 -6.012 3.896 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.163 -8.880 2.746 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.654 -8.695 2.845 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.671 -8.187 1.477 1.00 0.00 C ATOM 0 H VAL A 137 2.830 -9.926 4.986 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.964 -8.435 3.741 1.00 0.36 H new ATOM 0 HB VAL A 137 3.375 -9.947 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.183 -9.048 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.272 -9.266 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.425 -7.639 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.116 -8.555 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.528 -7.110 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.731 -8.402 1.345 1.00 0.00 H new ATOM 2085 N MET A 138 2.746 -6.742 5.412 1.00 -0.73 N ATOM 2086 CA MET A 138 2.482 -5.425 5.968 1.00 0.36 C ATOM 2087 C MET A 138 3.342 -5.132 7.211 1.00 0.57 C ATOM 2088 O MET A 138 3.014 -4.208 7.952 1.00 -0.57 O ATOM 2089 CB MET A 138 0.969 -5.242 6.215 1.00 0.00 C ATOM 2090 CG MET A 138 0.421 -3.963 5.558 1.00 0.23 C ATOM 2091 SD MET A 138 -0.851 -4.204 4.287 1.00 -0.46 S ATOM 2092 CE MET A 138 -0.067 -5.453 3.226 1.00 0.23 C ATOM 0 H MET A 138 2.207 -7.490 5.849 1.00 -0.73 H new ATOM 0 HA MET A 138 2.783 -4.676 5.235 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.432 -6.107 5.825 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.780 -5.207 7.288 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.009 -3.325 6.340 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.255 -3.422 5.111 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.452 -5.361 2.210 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.012 -5.300 3.220 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.290 -6.448 3.610 1.00 0.23 H new ATOM 2102 N TYR A 139 4.432 -5.870 7.485 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.239 -5.613 8.684 1.00 0.36 C ATOM 2104 C TYR A 139 6.053 -4.310 8.554 1.00 0.57 C ATOM 2105 O TYR A 139 6.517 -4.000 7.450 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.171 -6.800 8.994 1.00 0.14 C ATOM 2107 CG TYR A 139 6.416 -7.049 10.475 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 5.332 -7.098 11.378 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 7.725 -7.238 10.954 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 5.557 -7.267 12.754 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 7.957 -7.442 12.328 1.00 -0.15 C ATOM 2112 CZ TYR A 139 6.873 -7.435 13.236 1.00 0.08 C ATOM 2113 OH TYR A 139 7.088 -7.593 14.576 1.00 -0.53 O ATOM 0 H TYR A 139 4.768 -6.636 6.902 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.545 -5.494 9.516 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.746 -7.702 8.554 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.130 -6.628 8.505 1.00 0.14 H new ATOM 0 HD1 TYR A 139 4.322 -7.005 11.008 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.556 -7.227 10.265 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 4.725 -7.268 13.442 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 8.962 -7.604 12.688 1.00 -0.15 H new ATOM 0 HH TYR A 139 8.048 -7.698 14.743 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.250 -3.540 9.643 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.208 -2.446 9.663 1.00 0.36 C ATOM 2125 C PRO A 140 8.650 -2.976 9.737 1.00 0.57 C ATOM 2126 O PRO A 140 8.867 -4.124 10.124 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.836 -1.608 10.892 1.00 0.00 C ATOM 2128 CG PRO A 140 6.155 -2.583 11.848 1.00 0.00 C ATOM 2129 CD PRO A 140 5.658 -3.724 10.961 1.00 0.30 C ATOM 0 HA PRO A 140 7.169 -1.847 8.753 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.720 -1.162 11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.169 -0.789 10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.851 -2.945 12.604 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.330 -2.106 12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.945 -4.689 11.380 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.570 -3.715 10.898 1.00 0.30 H new ATOM 2137 N THR A 141 9.629 -2.112 9.422 1.00 -0.73 N ATOM 2138 CA THR A 141 11.061 -2.428 9.359 1.00 0.36 C ATOM 2139 C THR A 141 11.353 -3.591 8.398 1.00 0.57 C ATOM 2140 O THR A 141 11.290 -4.767 8.756 1.00 -0.57 O ATOM 2141 CB THR A 141 11.636 -2.583 10.778 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.664 -1.289 11.359 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.066 -3.135 10.844 1.00 0.00 C ATOM 0 H THR A 141 9.434 -1.137 9.196 1.00 -0.73 H new ATOM 0 HA THR A 141 11.599 -1.590 8.916 1.00 0.36 H new ATOM 0 HB THR A 141 11.000 -3.302 11.295 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.024 -1.347 12.269 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.381 -3.207 11.885 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.096 -4.124 10.387 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.739 -2.467 10.307 1.00 0.00 H new ATOM 2151 N TYR A 142 11.677 -3.222 7.153 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.936 -4.129 6.042 1.00 0.36 C ATOM 2153 C TYR A 142 12.944 -5.228 6.402 1.00 0.57 C ATOM 2154 O TYR A 142 14.154 -5.002 6.497 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.379 -3.324 4.810 1.00 0.14 C ATOM 2156 CG TYR A 142 11.715 -3.768 3.526 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.319 -3.651 3.414 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.478 -4.191 2.423 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 9.703 -3.831 2.170 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 11.853 -4.423 1.185 1.00 -0.15 C ATOM 2161 CZ TYR A 142 10.463 -4.197 1.044 1.00 0.08 C ATOM 2162 OH TYR A 142 9.857 -4.252 -0.174 1.00 -0.53 O ATOM 0 H TYR A 142 11.768 -2.241 6.887 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.008 -4.649 5.806 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.159 -2.270 4.977 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.460 -3.411 4.699 1.00 0.14 H new ATOM 0 HD1 TYR A 142 9.723 -3.423 4.285 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.543 -4.338 2.527 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 8.637 -3.688 2.074 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 12.432 -4.773 0.343 1.00 -0.15 H new ATOM 0 HH TYR A 142 8.946 -4.597 -0.071 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.434 -6.444 6.585 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.197 -7.601 6.996 1.00 0.36 C ATOM 2174 C GLY A 143 12.240 -8.769 7.185 1.00 0.57 C ATOM 2175 O GLY A 143 11.025 -8.567 7.234 1.00 -0.57 O ATOM 0 H GLY A 143 11.445 -6.649 6.444 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 13.949 -7.845 6.245 1.00 0.36 H new ATOM 0 HA3 GLY A 143 13.729 -7.393 7.924 1.00 0.36 H new ATOM 2179 N ASN A 144 12.801 -9.980 7.292 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.126 -11.280 7.407 1.00 0.36 C ATOM 2181 C ASN A 144 11.271 -11.671 6.192 1.00 0.57 C ATOM 2182 O ASN A 144 11.393 -12.795 5.703 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.293 -11.348 8.699 1.00 0.06 C ATOM 2184 CG ASN A 144 11.642 -12.565 9.538 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.298 -12.446 10.565 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 11.276 -13.764 9.116 1.00 -0.80 N ATOM 0 H ASN A 144 13.816 -10.085 7.301 1.00 -0.73 H new ATOM 0 HA ASN A 144 12.929 -12.017 7.444 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.459 -10.444 9.285 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.233 -11.374 8.446 1.00 0.06 H new ATOM 0 HD21 ASN A 144 11.540 -14.594 9.647 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 10.730 -13.859 8.260 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.428 -10.755 5.707 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.636 -10.905 4.499 1.00 0.36 C ATOM 2195 C GLY A 145 10.508 -11.057 3.254 1.00 0.57 C ATOM 2196 O GLY A 145 11.734 -10.924 3.297 1.00 -0.57 O ATOM 0 H GLY A 145 10.278 -9.857 6.168 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 8.989 -11.777 4.596 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.986 -10.038 4.382 1.00 0.36 H new ATOM 2200 N ASP A 146 9.849 -11.291 2.120 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.489 -11.540 0.835 1.00 0.36 C ATOM 2202 C ASP A 146 10.007 -10.466 -0.149 1.00 0.57 C ATOM 2203 O ASP A 146 8.878 -10.540 -0.643 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.179 -12.977 0.394 1.00 0.06 C ATOM 2205 CG ASP A 146 10.791 -13.343 -0.957 1.00 0.66 C ATOM 2206 OD1 ASP A 146 10.637 -12.571 -1.889 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 11.418 -14.511 -1.062 1.00 -0.65 O ATOM 0 H ASP A 146 8.830 -11.313 2.071 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.575 -11.466 0.888 1.00 0.36 H new ATOM 0 HB2 ASP A 146 10.548 -13.669 1.151 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.098 -13.108 0.342 1.00 0.06 H new ATOM 2213 N PRO A 147 10.815 -9.425 -0.421 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.481 -8.374 -1.375 1.00 0.36 C ATOM 2215 C PRO A 147 10.657 -8.812 -2.843 1.00 0.57 C ATOM 2216 O PRO A 147 11.118 -8.042 -3.679 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.324 -7.175 -0.939 1.00 0.00 C ATOM 2218 CG PRO A 147 12.546 -7.765 -0.240 1.00 0.00 C ATOM 2219 CD PRO A 147 12.060 -9.118 0.275 1.00 0.30 C ATOM 0 HA PRO A 147 9.423 -8.113 -1.360 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.617 -6.569 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.763 -6.525 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.384 -7.877 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.886 -7.127 0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.806 -9.891 0.088 1.00 0.30 H new ATOM 0 HD3 PRO A 147 11.900 -9.084 1.353 1.00 0.30 H new ATOM 2227 N GLN A 148 10.277 -10.043 -3.189 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.425 -10.607 -4.529 1.00 0.36 C ATOM 2229 C GLN A 148 9.169 -11.437 -4.836 1.00 0.57 C ATOM 2230 O GLN A 148 8.455 -11.146 -5.802 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.748 -11.419 -4.573 1.00 0.00 C ATOM 2232 CG GLN A 148 12.799 -10.843 -5.544 1.00 0.06 C ATOM 2233 CD GLN A 148 14.255 -11.237 -5.224 1.00 0.57 C ATOM 2234 OE1 GLN A 148 14.557 -11.855 -4.207 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 15.193 -10.874 -6.092 1.00 -0.80 N ATOM 0 H GLN A 148 9.847 -10.690 -2.528 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.500 -9.845 -5.304 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.174 -11.456 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.524 -12.446 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.561 -11.175 -6.555 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.721 -9.756 -5.539 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.936 -10.361 -6.935 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 16.170 -11.109 -5.915 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.829 -12.387 -3.959 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.734 -13.334 -4.116 1.00 0.36 C ATOM 2246 C ASN A 149 6.943 -13.402 -2.806 1.00 0.57 C ATOM 2247 O ASN A 149 7.196 -14.219 -1.927 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.234 -14.706 -4.626 1.00 0.06 C ATOM 2249 CG ASN A 149 9.159 -15.443 -3.657 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.393 -14.984 -3.524 1.00 -0.57 O flip ATOM 2251 ND2 ASN A 149 8.756 -16.436 -3.058 1.00 -0.80 N flip ATOM 0 H ASN A 149 9.336 -12.518 -3.083 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.050 -12.990 -4.891 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.371 -15.338 -4.836 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.759 -14.559 -5.570 1.00 0.06 H new ATOM 0 HD21 ASN A 149 7.797 -16.756 -3.189 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 9.381 -16.941 -2.429 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.957 -12.511 -2.690 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.116 -12.379 -1.502 1.00 0.36 C ATOM 2260 C PHE A 150 3.645 -12.586 -1.868 1.00 0.57 C ATOM 2261 O PHE A 150 2.974 -13.375 -1.209 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.365 -11.004 -0.867 1.00 0.14 C ATOM 2263 CG PHE A 150 4.952 -9.837 -1.746 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.802 -9.334 -2.753 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.654 -9.323 -1.613 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.351 -8.307 -3.601 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.200 -8.311 -2.466 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.049 -7.795 -3.453 1.00 -0.15 C ATOM 0 H PHE A 150 5.718 -11.852 -3.430 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.372 -13.146 -0.771 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.821 -10.946 0.076 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.425 -10.911 -0.630 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.797 -9.737 -2.872 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.000 -9.711 -0.846 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.004 -7.912 -4.365 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.195 -7.928 -2.363 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.704 -7.003 -4.101 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.185 -11.947 -2.962 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.825 -11.973 -3.505 1.00 0.36 C ATOM 2280 C LYS A 151 0.742 -12.164 -2.437 1.00 0.57 C ATOM 2281 O LYS A 151 -0.084 -13.062 -2.558 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.703 -12.924 -4.714 1.00 0.00 C ATOM 2283 CG LYS A 151 2.057 -14.405 -4.491 1.00 0.00 C ATOM 2284 CD LYS A 151 3.569 -14.698 -4.489 1.00 0.00 C ATOM 2285 CE LYS A 151 3.859 -16.131 -4.939 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.116 -16.210 -6.393 1.00 -0.85 N ATOM 0 H LYS A 151 3.802 -11.360 -3.524 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.628 -10.975 -3.897 1.00 0.36 H new ATOM 0 HB2 LYS A 151 0.677 -12.875 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.343 -12.541 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 151 1.634 -14.729 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.583 -15.002 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.078 -13.997 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 151 3.971 -14.541 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 151 4.723 -16.514 -4.396 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.013 -16.770 -4.684 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 4.308 -17.197 -6.658 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 3.282 -15.868 -6.912 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.939 -15.621 -6.633 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.756 -11.270 -1.436 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.092 -11.281 -0.245 1.00 0.36 C ATOM 2302 C LEU A 152 0.201 -12.539 0.598 1.00 0.57 C ATOM 2303 O LEU A 152 -0.246 -13.627 0.256 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.582 -11.118 -0.624 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.930 -9.869 -1.469 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -2.112 -10.250 -2.944 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.227 -9.197 -1.004 1.00 0.00 C ATOM 0 H LEU A 152 1.398 -10.477 -1.441 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.145 -10.422 0.383 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.896 -12.005 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.169 -11.088 0.294 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.099 -9.176 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.356 -9.359 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.188 -10.687 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.921 -10.975 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.429 -8.326 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.053 -9.903 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.122 -8.884 0.035 1.00 0.00 H new ATOM 2319 N SER A 153 0.996 -12.416 1.675 1.00 -0.73 N ATOM 2320 CA SER A 153 1.519 -13.574 2.413 1.00 0.36 C ATOM 2321 C SER A 153 0.443 -14.321 3.218 1.00 0.57 C ATOM 2322 O SER A 153 -0.105 -15.314 2.747 1.00 -0.57 O ATOM 2323 CB SER A 153 2.680 -13.149 3.326 1.00 0.28 C ATOM 2324 OG SER A 153 3.796 -12.718 2.581 1.00 -0.68 O ATOM 0 H SER A 153 1.291 -11.517 2.055 1.00 -0.73 H new ATOM 0 HA SER A 153 1.884 -14.278 1.665 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.350 -12.346 3.985 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.968 -13.986 3.962 1.00 0.28 H new ATOM 0 HG SER A 153 4.515 -12.454 3.192 1.00 -0.68 H new ATOM 2330 N GLN A 154 0.181 -13.892 4.461 1.00 -0.73 N ATOM 2331 CA GLN A 154 -0.777 -14.533 5.361 1.00 0.36 C ATOM 2332 C GLN A 154 -1.476 -13.471 6.179 1.00 0.57 C ATOM 2333 O GLN A 154 -2.682 -13.545 6.311 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.107 -15.493 6.355 1.00 0.00 C ATOM 2335 CG GLN A 154 0.460 -16.760 5.710 1.00 0.06 C ATOM 2336 CD GLN A 154 1.388 -17.504 6.665 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.092 -18.619 7.080 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 2.521 -16.895 7.007 1.00 -0.80 N ATOM 0 H GLN A 154 0.638 -13.078 4.871 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.466 -15.098 4.733 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.699 -14.966 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -0.834 -15.779 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.358 -17.415 5.411 1.00 0.06 H new ATOM 0 HG3 GLN A 154 1.004 -16.496 4.803 1.00 0.06 H new ATOM 0 HE21 GLN A 154 2.732 -15.967 6.641 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 3.179 -17.357 7.635 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.751 -12.471 6.683 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.332 -11.330 7.368 1.00 0.36 C ATOM 2349 C ASP A 155 -2.292 -10.550 6.475 1.00 0.57 C ATOM 2350 O ASP A 155 -3.353 -10.122 6.933 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.214 -10.406 7.837 1.00 0.06 C ATOM 2352 CG ASP A 155 0.594 -9.738 6.716 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.743 -8.530 6.794 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.117 -10.518 5.774 1.00 -0.65 O ATOM 0 H ASP A 155 0.267 -12.436 6.623 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.903 -11.706 8.217 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.647 -9.627 8.465 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.469 -10.978 8.465 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.909 -10.401 5.204 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.673 -9.700 4.187 1.00 0.36 C ATOM 2362 C ASP A 156 -3.983 -10.450 3.938 1.00 0.57 C ATOM 2363 O ASP A 156 -5.069 -9.896 4.127 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.815 -9.632 2.909 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.762 -8.263 2.233 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -2.466 -7.375 2.684 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.923 -8.134 1.209 1.00 -0.65 O ATOM 0 H ASP A 156 -1.030 -10.779 4.851 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.920 -8.687 4.505 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.798 -9.937 3.157 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.200 -10.358 2.193 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.857 -11.751 3.623 1.00 -0.73 N ATOM 2374 CA ILE A 157 -4.970 -12.680 3.458 1.00 0.36 C ATOM 2375 C ILE A 157 -5.808 -12.672 4.732 1.00 0.57 C ATOM 2376 O ILE A 157 -7.022 -12.592 4.643 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.464 -14.110 3.081 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.584 -14.374 1.565 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.200 -15.267 3.788 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.473 -13.674 0.792 1.00 0.00 C ATOM 0 H ILE A 157 -2.949 -12.190 3.474 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.600 -12.360 2.628 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.426 -14.103 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.542 -15.447 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.553 -14.026 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.779 -16.218 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.082 -15.168 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.260 -15.233 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.585 -13.879 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.533 -12.599 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.505 -14.042 1.132 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.197 -12.747 5.919 1.00 -0.73 N ATOM 2393 CA LYS A 158 -5.911 -12.849 7.183 1.00 0.36 C ATOM 2394 C LYS A 158 -6.743 -11.605 7.372 1.00 0.57 C ATOM 2395 O LYS A 158 -7.914 -11.742 7.702 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.939 -13.072 8.361 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.651 -13.345 9.699 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.999 -12.122 10.567 1.00 0.00 C ATOM 2399 CE LYS A 158 -6.957 -12.586 11.680 1.00 0.50 C ATOM 2400 NZ LYS A 158 -7.319 -11.525 12.649 1.00 -0.85 N ATOM 0 H LYS A 158 -4.182 -12.738 6.024 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.569 -13.717 7.160 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.285 -13.912 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.303 -12.193 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.574 -13.884 9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -5.021 -14.011 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -5.095 -11.690 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -6.466 -11.345 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -7.868 -12.971 11.223 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.496 -13.414 12.219 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -7.965 -11.915 13.365 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -6.459 -11.172 13.114 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -7.788 -10.743 12.149 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.156 -10.420 7.164 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.884 -9.169 7.211 1.00 0.36 C ATOM 2416 C GLY A 159 -8.045 -9.241 6.234 1.00 0.57 C ATOM 2417 O GLY A 159 -9.196 -9.242 6.654 1.00 -0.57 O ATOM 0 H GLY A 159 -5.162 -10.313 6.959 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.251 -8.984 8.220 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.225 -8.339 6.954 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.771 -9.395 4.940 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.817 -9.376 3.925 1.00 0.36 C ATOM 2423 C ILE A 160 -9.914 -10.432 4.166 1.00 0.57 C ATOM 2424 O ILE A 160 -11.105 -10.126 4.049 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.142 -9.468 2.540 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.660 -8.079 2.064 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.060 -10.108 1.500 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.791 -7.065 1.819 1.00 0.00 C ATOM 0 H ILE A 160 -6.830 -9.535 4.571 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.367 -8.436 3.980 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.271 -10.115 2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.976 -7.670 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.092 -8.201 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.546 -10.153 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.323 -11.117 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.967 -9.511 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.365 -6.118 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.464 -7.449 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.347 -6.909 2.744 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.541 -11.660 4.524 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.490 -12.739 4.758 1.00 0.36 C ATOM 2442 C GLN A 161 -11.284 -12.523 6.048 1.00 0.57 C ATOM 2443 O GLN A 161 -12.425 -12.986 6.134 1.00 -0.57 O ATOM 2444 CB GLN A 161 -9.801 -14.114 4.779 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.334 -14.566 3.383 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.036 -16.069 3.304 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -8.785 -16.735 4.305 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.087 -16.642 2.109 1.00 -0.80 N ATOM 0 H GLN A 161 -8.567 -11.932 4.659 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.188 -12.725 3.921 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -8.943 -14.076 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.490 -14.855 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.102 -14.315 2.651 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.438 -14.009 3.109 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -9.296 -16.081 1.283 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -8.917 -17.643 2.016 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.706 -11.817 7.028 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.407 -11.347 8.214 1.00 0.36 C ATOM 2459 C LYS A 162 -12.344 -10.195 7.856 1.00 0.57 C ATOM 2460 O LYS A 162 -13.423 -10.116 8.432 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.362 -10.912 9.256 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.898 -10.480 10.621 1.00 0.00 C ATOM 2463 CD LYS A 162 -11.063 -11.648 11.586 1.00 0.00 C ATOM 2464 CE LYS A 162 -12.221 -12.591 11.255 1.00 0.50 C ATOM 2465 NZ LYS A 162 -13.037 -12.845 12.457 1.00 -0.85 N ATOM 0 H LYS A 162 -9.720 -11.555 7.012 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.020 -12.146 8.630 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.668 -11.738 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.787 -10.086 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.220 -9.747 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.860 -9.985 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.137 -12.223 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -11.210 -11.253 12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.841 -12.155 10.472 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.832 -13.532 10.866 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -13.819 -13.487 12.216 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -12.445 -13.281 13.193 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -13.423 -11.946 12.811 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.959 -9.320 6.919 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.809 -8.237 6.448 1.00 0.36 C ATOM 2481 C LEU A 163 -14.049 -8.803 5.738 1.00 0.57 C ATOM 2482 O LEU A 163 -15.154 -8.554 6.219 1.00 -0.57 O ATOM 2483 CB LEU A 163 -12.026 -7.247 5.559 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.351 -6.071 6.306 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.832 -6.179 6.439 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.609 -4.759 5.568 1.00 0.00 C ATOM 0 H LEU A 163 -11.044 -9.350 6.469 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.153 -7.667 7.311 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.258 -7.800 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.708 -6.838 4.814 1.00 0.00 H new ATOM 0 HG LEU A 163 -11.792 -6.104 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.451 -5.310 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.578 -7.085 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.382 -6.219 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -11.129 -3.940 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.200 -4.822 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.682 -4.577 5.513 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.896 -9.558 4.632 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.043 -9.966 3.792 1.00 0.36 C ATOM 2500 C TYR A 164 -14.934 -11.395 3.223 1.00 0.57 C ATOM 2501 O TYR A 164 -15.639 -11.722 2.260 1.00 -0.57 O ATOM 2502 CB TYR A 164 -15.297 -8.947 2.656 1.00 0.14 C ATOM 2503 CG TYR A 164 -15.234 -7.480 3.045 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -16.230 -6.906 3.861 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.137 -6.703 2.635 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -16.089 -5.587 4.332 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -13.989 -5.385 3.093 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -14.945 -4.836 3.976 1.00 0.08 C ATOM 2509 OH TYR A 164 -14.735 -3.581 4.456 1.00 -0.53 O ATOM 0 H TYR A 164 -12.993 -9.897 4.299 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.900 -9.976 4.465 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -14.566 -9.124 1.867 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -16.280 -9.147 2.230 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -17.105 -7.481 4.126 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -13.403 -7.123 1.963 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -16.850 -5.151 4.962 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -13.146 -4.792 2.771 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.686 -3.609 5.434 1.00 -0.53 H new