USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 117 SER OG : rot 180:sc= 0.0483 USER MOD Set 1.2: A 118 ASN : amide:sc= -4.94 X(o=-15,f=-15!) USER MOD Set 1.3: A 127 HIS : no HD1:sc= -10.4! C(o=-15!,f=-13!) USER MOD Set 2.1: A 21 CYS SG : rot -47:sc= -3.29 USER MOD Set 2.2: A 23 GLN : amide:sc= -0.787 K(o=-4.1,f=-6.2) USER MOD Set 3.1: A 17 THR OG1 : rot 132:sc= 0.074 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -2.31! K(o=-3.3!,f=-2) USER MOD Set 3.3: A 51 MET CE :methyl -158:sc= -1.05! (180deg=-3.41!) USER MOD Single : A 7 SER OG : rot -115:sc= -2.72! USER MOD Single : A 8 TYR OH : rot 1:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.97 K(o=-4,f=-2.8) USER MOD Single : A 19 SER OG : rot -171:sc= -2.86 USER MOD Single : A 20 SER OG : rot -10:sc= 0.494 USER MOD Single : A 38 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.41) USER MOD Single : A 40 GLN : amide:sc= -0.145 K(o=-0.15,f=-2!) USER MOD Single : A 42 THR OG1 : rot 170:sc= -1.94 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl 154:sc= -0.586 (180deg=-1.05) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -172:sc= -6.98! (180deg=-7.23!) USER MOD Single : A 70 SER OG : rot -3:sc= 0.66 USER MOD Single : A 71 MET CE :methyl -127:sc= 0 (180deg=-0.015) USER MOD Single : A 72 ASN : amide:sc= -0.539 K(o=-0.54,f=0) USER MOD Single : A 79 CYS SG : rot -90:sc= 0.812 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -121:sc= 0.00275 USER MOD Single : A 86 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-2.5) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0306 USER MOD Single : A 94 CYS SG : rot 24:sc= -0.763 USER MOD Single : A 96 THR OG1 : rot 116:sc= -1.53 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD Single : A 115 TYR OH : rot -15:sc= -2.47 USER MOD Single : A 120 THR OG1 : rot 170:sc= -0.774 USER MOD Single : A 121 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.35) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.810 -7.944 -3.686 1.00 0.00 N ATOM 101 CA VAL A 6 3.331 -7.363 -2.438 1.00 0.00 C ATOM 102 C VAL A 6 3.282 -8.426 -1.341 1.00 0.00 C ATOM 103 O VAL A 6 2.991 -9.591 -1.607 1.00 0.00 O ATOM 104 CB VAL A 6 1.933 -6.711 -2.626 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.935 -7.196 -1.588 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.039 -5.196 -2.588 1.00 0.00 C ATOM 0 HA VAL A 6 4.029 -6.582 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 6 1.564 -7.016 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.028 -6.715 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.820 -8.277 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.296 -6.945 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.050 -4.759 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.447 -4.884 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.696 -4.857 -3.389 1.00 0.00 H new ATOM 116 N SER A 7 3.576 -8.019 -0.110 1.00 0.00 N ATOM 117 CA SER A 7 3.569 -8.944 1.018 1.00 0.00 C ATOM 118 C SER A 7 2.155 -9.391 1.357 1.00 0.00 C ATOM 119 O SER A 7 1.785 -10.541 1.124 1.00 0.00 O ATOM 120 CB SER A 7 4.228 -8.308 2.245 1.00 0.00 C ATOM 121 OG SER A 7 5.413 -9.000 2.601 1.00 0.00 O ATOM 0 H SER A 7 3.821 -7.059 0.131 1.00 0.00 H new ATOM 0 HA SER A 7 4.144 -9.823 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.461 -7.264 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.531 -8.318 3.083 1.00 0.00 H new ATOM 0 HG SER A 7 5.295 -9.421 3.478 1.00 0.00 H new ATOM 127 N TYR A 8 1.366 -8.483 1.920 1.00 0.00 N ATOM 128 CA TYR A 8 -0.003 -8.802 2.297 1.00 0.00 C ATOM 129 C TYR A 8 -0.979 -7.721 1.864 1.00 0.00 C ATOM 130 O TYR A 8 -0.678 -6.531 1.935 1.00 0.00 O ATOM 131 CB TYR A 8 -0.111 -9.002 3.802 1.00 0.00 C ATOM 132 CG TYR A 8 1.069 -9.715 4.428 1.00 0.00 C ATOM 133 CD1 TYR A 8 2.140 -9.003 4.945 1.00 0.00 C ATOM 134 CD2 TYR A 8 1.105 -11.102 4.508 1.00 0.00 C ATOM 135 CE1 TYR A 8 3.216 -9.647 5.523 1.00 0.00 C ATOM 136 CE2 TYR A 8 2.177 -11.755 5.086 1.00 0.00 C ATOM 137 CZ TYR A 8 3.231 -11.024 5.591 1.00 0.00 C ATOM 138 OH TYR A 8 4.300 -11.670 6.169 1.00 0.00 O ATOM 0 H TYR A 8 1.650 -7.525 2.124 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.266 -9.726 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.225 -8.028 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.017 -9.569 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.133 -7.924 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.282 -11.679 4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.042 -9.075 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.189 -12.833 5.142 1.00 0.00 H new ATOM 0 HH TYR A 8 4.946 -11.008 6.492 1.00 0.00 H new ATOM 148 N VAL A 9 -2.159 -8.144 1.428 1.00 0.00 N ATOM 149 CA VAL A 9 -3.195 -7.200 0.999 1.00 0.00 C ATOM 150 C VAL A 9 -4.531 -7.505 1.671 1.00 0.00 C ATOM 151 O VAL A 9 -5.294 -8.346 1.195 1.00 0.00 O ATOM 152 CB VAL A 9 -3.400 -7.202 -0.533 1.00 0.00 C ATOM 153 CG1 VAL A 9 -3.943 -5.858 -0.993 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.106 -7.537 -1.262 1.00 0.00 C ATOM 0 H VAL A 9 -2.426 -9.126 1.361 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.843 -6.213 1.300 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.128 -7.976 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.083 -5.873 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.899 -5.666 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.237 -5.071 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.282 -7.531 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.346 -6.795 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.762 -8.525 -0.957 1.00 0.00 H new ATOM 164 N GLU A 10 -4.808 -6.824 2.781 1.00 0.00 N ATOM 165 CA GLU A 10 -6.053 -7.038 3.510 1.00 0.00 C ATOM 166 C GLU A 10 -7.041 -5.898 3.298 1.00 0.00 C ATOM 167 O GLU A 10 -6.783 -4.756 3.683 1.00 0.00 O ATOM 168 CB GLU A 10 -5.767 -7.196 5.006 1.00 0.00 C ATOM 169 CG GLU A 10 -6.182 -8.544 5.569 1.00 0.00 C ATOM 170 CD GLU A 10 -5.475 -8.878 6.866 1.00 0.00 C ATOM 171 OE1 GLU A 10 -5.426 -10.072 7.227 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.972 -7.943 7.525 1.00 0.00 O ATOM 0 H GLU A 10 -4.191 -6.124 3.192 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.504 -7.950 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.701 -7.053 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.288 -6.409 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.259 -8.548 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.971 -9.321 4.834 1.00 0.00 H new ATOM 179 N VAL A 11 -8.194 -6.223 2.718 1.00 0.00 N ATOM 180 CA VAL A 11 -9.238 -5.234 2.499 1.00 0.00 C ATOM 181 C VAL A 11 -10.070 -5.110 3.765 1.00 0.00 C ATOM 182 O VAL A 11 -10.062 -6.015 4.594 1.00 0.00 O ATOM 183 CB VAL A 11 -10.147 -5.611 1.314 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.069 -4.455 0.956 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.310 -6.019 0.113 1.00 0.00 C ATOM 0 H VAL A 11 -8.425 -7.162 2.393 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.764 -4.283 2.257 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.764 -6.460 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.703 -4.742 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.693 -4.208 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.472 -3.586 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.967 -6.282 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.668 -5.189 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.693 -6.879 0.375 1.00 0.00 H new ATOM 195 N ILE A 12 -10.761 -3.989 3.938 1.00 0.00 N ATOM 196 CA ILE A 12 -11.553 -3.787 5.146 1.00 0.00 C ATOM 197 C ILE A 12 -12.875 -3.083 4.867 1.00 0.00 C ATOM 198 O ILE A 12 -12.899 -1.936 4.437 1.00 0.00 O ATOM 199 CB ILE A 12 -10.755 -2.962 6.174 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.597 -3.789 6.737 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.651 -2.476 7.299 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.238 -3.274 6.325 1.00 0.00 C ATOM 0 H ILE A 12 -10.790 -3.218 3.270 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.776 -4.777 5.543 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.349 -2.089 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.660 -3.796 7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.702 -4.822 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.061 -1.897 8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.443 -1.849 6.889 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.093 -3.333 7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.463 -3.906 6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.156 -3.293 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.113 -2.251 6.681 1.00 0.00 H new ATOM 214 N LYS A 13 -13.973 -3.773 5.140 1.00 0.00 N ATOM 215 CA LYS A 13 -15.300 -3.193 4.938 1.00 0.00 C ATOM 216 C LYS A 13 -15.905 -2.719 6.259 1.00 0.00 C ATOM 217 O LYS A 13 -16.331 -3.528 7.084 1.00 0.00 O ATOM 218 CB LYS A 13 -16.239 -4.204 4.273 1.00 0.00 C ATOM 219 CG LYS A 13 -17.657 -3.691 4.088 1.00 0.00 C ATOM 220 CD LYS A 13 -18.351 -4.380 2.925 1.00 0.00 C ATOM 221 CE LYS A 13 -19.197 -3.402 2.122 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.448 -4.032 1.620 1.00 0.00 N ATOM 0 H LYS A 13 -13.976 -4.728 5.499 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.183 -2.331 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.832 -4.479 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.266 -5.112 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.227 -3.856 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.636 -2.615 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.606 -4.837 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.982 -5.185 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.448 -2.543 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.616 -3.027 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.996 -3.333 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.209 -4.836 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -21.015 -4.368 2.425 1.00 0.00 H new ATOM 236 N ASN A 14 -15.961 -1.401 6.440 1.00 0.00 N ATOM 237 CA ASN A 14 -16.534 -0.813 7.649 1.00 0.00 C ATOM 238 C ASN A 14 -15.802 -1.275 8.906 1.00 0.00 C ATOM 239 O ASN A 14 -16.424 -1.507 9.945 1.00 0.00 O ATOM 240 CB ASN A 14 -18.019 -1.172 7.748 1.00 0.00 C ATOM 241 CG ASN A 14 -18.906 0.052 7.867 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.710 0.892 8.747 1.00 0.00 O ATOM 243 ND2 ASN A 14 -19.889 0.159 6.981 1.00 0.00 N ATOM 0 H ASN A 14 -15.616 -0.719 5.764 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.421 0.269 7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.311 -1.744 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.177 -1.816 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.519 0.961 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.014 -0.561 6.269 1.00 0.00 H new ATOM 250 N GLY A 15 -14.484 -1.416 8.815 1.00 0.00 N ATOM 251 CA GLY A 15 -13.710 -1.854 9.957 1.00 0.00 C ATOM 252 C GLY A 15 -13.757 -3.355 10.123 1.00 0.00 C ATOM 253 O GLY A 15 -13.564 -3.876 11.220 1.00 0.00 O ATOM 0 H GLY A 15 -13.940 -1.235 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.675 -1.533 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.091 -1.376 10.860 1.00 0.00 H new ATOM 257 N GLU A 16 -14.011 -4.051 9.021 1.00 0.00 N ATOM 258 CA GLU A 16 -14.081 -5.501 9.033 1.00 0.00 C ATOM 259 C GLU A 16 -13.494 -6.063 7.749 1.00 0.00 C ATOM 260 O GLU A 16 -14.035 -5.857 6.662 1.00 0.00 O ATOM 261 CB GLU A 16 -15.527 -5.970 9.205 1.00 0.00 C ATOM 262 CG GLU A 16 -16.150 -5.547 10.526 1.00 0.00 C ATOM 263 CD GLU A 16 -17.160 -6.554 11.041 1.00 0.00 C ATOM 264 OE1 GLU A 16 -16.885 -7.768 10.955 1.00 0.00 O ATOM 265 OE2 GLU A 16 -18.227 -6.125 11.532 1.00 0.00 O ATOM 0 H GLU A 16 -14.172 -3.629 8.106 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.499 -5.869 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.128 -5.575 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.559 -7.057 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.363 -5.414 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.637 -4.580 10.401 1.00 0.00 H new ATOM 272 N THR A 17 -12.370 -6.753 7.878 1.00 0.00 N ATOM 273 CA THR A 17 -11.684 -7.327 6.728 1.00 0.00 C ATOM 274 C THR A 17 -12.640 -8.060 5.788 1.00 0.00 C ATOM 275 O THR A 17 -13.364 -8.968 6.199 1.00 0.00 O ATOM 276 CB THR A 17 -10.582 -8.282 7.188 1.00 0.00 C ATOM 277 OG1 THR A 17 -9.773 -7.672 8.178 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.676 -8.731 6.063 1.00 0.00 C ATOM 0 H THR A 17 -11.911 -6.930 8.772 1.00 0.00 H new ATOM 0 HA THR A 17 -11.245 -6.498 6.173 1.00 0.00 H new ATOM 0 HB THR A 17 -11.099 -9.155 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.654 -8.290 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.916 -9.406 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.265 -9.248 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.193 -7.862 5.616 1.00 0.00 H new ATOM 286 N ILE A 18 -12.609 -7.672 4.514 1.00 0.00 N ATOM 287 CA ILE A 18 -13.442 -8.303 3.491 1.00 0.00 C ATOM 288 C ILE A 18 -12.601 -9.281 2.695 1.00 0.00 C ATOM 289 O ILE A 18 -13.052 -10.366 2.328 1.00 0.00 O ATOM 290 CB ILE A 18 -14.053 -7.290 2.489 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.719 -5.846 2.866 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.557 -7.480 2.390 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.049 -4.856 1.770 1.00 0.00 C ATOM 0 H ILE A 18 -12.014 -6.921 4.165 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.259 -8.795 4.019 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.608 -7.485 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.267 -5.576 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.658 -5.775 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.969 -6.761 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.774 -8.492 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.009 -7.324 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.789 -3.850 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.481 -5.103 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.115 -4.901 1.548 1.00 0.00 H new ATOM 305 N SER A 19 -11.374 -8.866 2.425 1.00 0.00 N ATOM 306 CA SER A 19 -10.439 -9.677 1.656 1.00 0.00 C ATOM 307 C SER A 19 -9.084 -9.758 2.349 1.00 0.00 C ATOM 308 O SER A 19 -8.859 -9.106 3.369 1.00 0.00 O ATOM 309 CB SER A 19 -10.279 -9.103 0.247 1.00 0.00 C ATOM 310 OG SER A 19 -11.156 -8.009 0.041 1.00 0.00 O ATOM 0 H SER A 19 -10.999 -7.967 2.728 1.00 0.00 H new ATOM 0 HA SER A 19 -10.843 -10.687 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.249 -8.781 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.481 -9.879 -0.491 1.00 0.00 H new ATOM 0 HG SER A 19 -11.143 -7.753 -0.905 1.00 0.00 H new ATOM 316 N SER A 20 -8.183 -10.563 1.793 1.00 0.00 N ATOM 317 CA SER A 20 -6.855 -10.725 2.371 1.00 0.00 C ATOM 318 C SER A 20 -5.927 -11.501 1.443 1.00 0.00 C ATOM 319 O SER A 20 -6.213 -12.637 1.064 1.00 0.00 O ATOM 320 CB SER A 20 -6.951 -11.439 3.723 1.00 0.00 C ATOM 321 OG SER A 20 -6.984 -12.847 3.560 1.00 0.00 O ATOM 0 H SER A 20 -8.348 -11.110 0.948 1.00 0.00 H new ATOM 0 HA SER A 20 -6.434 -9.730 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.099 -11.162 4.344 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.848 -11.110 4.248 1.00 0.00 H new ATOM 0 HG SER A 20 -7.103 -13.064 2.612 1.00 0.00 H new ATOM 327 N CYS A 21 -4.800 -10.884 1.104 1.00 0.00 N ATOM 328 CA CYS A 21 -3.802 -11.509 0.246 1.00 0.00 C ATOM 329 C CYS A 21 -2.534 -11.749 1.049 1.00 0.00 C ATOM 330 O CYS A 21 -1.518 -11.086 0.840 1.00 0.00 O ATOM 331 CB CYS A 21 -3.499 -10.613 -0.958 1.00 0.00 C ATOM 332 SG CYS A 21 -2.115 -11.173 -1.983 1.00 0.00 S ATOM 0 H CYS A 21 -4.554 -9.944 1.414 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.188 -12.460 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.392 -10.548 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.285 -9.606 -0.600 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.105 -11.473 -1.222 1.00 0.00 H new ATOM 338 N PHE A 22 -2.605 -12.683 1.985 1.00 0.00 N ATOM 339 CA PHE A 22 -1.468 -12.986 2.839 1.00 0.00 C ATOM 340 C PHE A 22 -0.892 -14.353 2.513 1.00 0.00 C ATOM 341 O PHE A 22 -1.279 -15.364 3.098 1.00 0.00 O ATOM 342 CB PHE A 22 -1.886 -12.896 4.310 1.00 0.00 C ATOM 343 CG PHE A 22 -2.259 -11.493 4.703 1.00 0.00 C ATOM 344 CD1 PHE A 22 -3.232 -10.804 3.997 1.00 0.00 C ATOM 345 CD2 PHE A 22 -1.612 -10.848 5.747 1.00 0.00 C ATOM 346 CE1 PHE A 22 -3.551 -9.502 4.316 1.00 0.00 C ATOM 347 CE2 PHE A 22 -1.939 -9.542 6.073 1.00 0.00 C ATOM 348 CZ PHE A 22 -2.904 -8.872 5.354 1.00 0.00 C ATOM 0 H PHE A 22 -3.437 -13.243 2.172 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.684 -12.251 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.732 -13.560 4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.069 -13.245 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.748 -11.295 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.849 -11.367 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.308 -8.977 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.437 -9.049 6.892 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.153 -7.852 5.605 1.00 0.00 H new ATOM 358 N GLN A 23 0.036 -14.369 1.561 1.00 0.00 N ATOM 359 CA GLN A 23 0.670 -15.614 1.139 1.00 0.00 C ATOM 360 C GLN A 23 2.191 -15.488 1.117 1.00 0.00 C ATOM 361 O GLN A 23 2.732 -14.415 0.853 1.00 0.00 O ATOM 362 CB GLN A 23 0.166 -16.023 -0.247 1.00 0.00 C ATOM 363 CG GLN A 23 -1.348 -16.139 -0.333 1.00 0.00 C ATOM 364 CD GLN A 23 -1.976 -15.004 -1.118 1.00 0.00 C ATOM 365 OE1 GLN A 23 -2.823 -14.275 -0.606 1.00 0.00 O ATOM 366 NE2 GLN A 23 -1.564 -14.853 -2.372 1.00 0.00 N ATOM 0 H GLN A 23 0.365 -13.538 1.069 1.00 0.00 H new ATOM 0 HA GLN A 23 0.402 -16.382 1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.508 -15.292 -0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.612 -16.980 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.610 -17.088 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.765 -16.154 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.858 -15.481 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.953 -14.109 -2.951 1.00 0.00 H new ATOM 587 N ASN A 38 10.093 -14.171 8.994 1.00 0.00 N ATOM 588 CA ASN A 38 8.994 -13.213 9.024 1.00 0.00 C ATOM 589 C ASN A 38 7.775 -13.755 8.286 1.00 0.00 C ATOM 590 O ASN A 38 7.004 -12.995 7.699 1.00 0.00 O ATOM 591 CB ASN A 38 9.429 -11.885 8.402 1.00 0.00 C ATOM 592 CG ASN A 38 10.441 -11.150 9.259 1.00 0.00 C ATOM 593 OD1 ASN A 38 10.940 -11.683 10.249 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.746 -9.913 8.881 1.00 0.00 N ATOM 0 HA ASN A 38 8.721 -13.048 10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.858 -12.071 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.554 -11.252 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.418 -9.366 9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.308 -9.510 8.053 1.00 0.00 H new ATOM 601 N GLU A 39 7.602 -15.071 8.321 1.00 0.00 N ATOM 602 CA GLU A 39 6.472 -15.710 7.658 1.00 0.00 C ATOM 603 C GLU A 39 5.706 -16.604 8.628 1.00 0.00 C ATOM 604 O GLU A 39 5.079 -17.583 8.226 1.00 0.00 O ATOM 605 CB GLU A 39 6.948 -16.517 6.450 1.00 0.00 C ATOM 606 CG GLU A 39 5.999 -16.456 5.265 1.00 0.00 C ATOM 607 CD GLU A 39 4.614 -16.980 5.598 1.00 0.00 C ATOM 608 OE1 GLU A 39 4.342 -18.166 5.311 1.00 0.00 O ATOM 609 OE2 GLU A 39 3.802 -16.204 6.144 1.00 0.00 O ATOM 0 H GLU A 39 8.230 -15.716 8.801 1.00 0.00 H new ATOM 0 HA GLU A 39 5.796 -14.929 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.926 -16.149 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.078 -17.558 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.920 -15.425 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.415 -17.036 4.441 1.00 0.00 H new ATOM 616 N GLN A 40 5.751 -16.244 9.907 1.00 0.00 N ATOM 617 CA GLN A 40 5.051 -16.996 10.943 1.00 0.00 C ATOM 618 C GLN A 40 3.789 -16.251 11.362 1.00 0.00 C ATOM 619 O GLN A 40 2.767 -16.857 11.682 1.00 0.00 O ATOM 620 CB GLN A 40 5.961 -17.213 12.154 1.00 0.00 C ATOM 621 CG GLN A 40 6.742 -15.972 12.561 1.00 0.00 C ATOM 622 CD GLN A 40 7.064 -15.949 14.042 1.00 0.00 C ATOM 623 OE1 GLN A 40 6.366 -16.557 14.852 1.00 0.00 O ATOM 624 NE2 GLN A 40 8.131 -15.245 14.403 1.00 0.00 N ATOM 0 H GLN A 40 6.266 -15.434 10.252 1.00 0.00 H new ATOM 0 HA GLN A 40 4.773 -17.970 10.541 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.356 -17.544 12.998 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.663 -18.017 11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.669 -15.927 11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.166 -15.083 12.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.682 -14.756 13.698 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.399 -15.194 15.386 1.00 0.00 H new ATOM 633 N ILE A 41 3.875 -14.925 11.336 1.00 0.00 N ATOM 634 CA ILE A 41 2.754 -14.063 11.687 1.00 0.00 C ATOM 635 C ILE A 41 1.500 -14.456 10.901 1.00 0.00 C ATOM 636 O ILE A 41 1.577 -14.782 9.716 1.00 0.00 O ATOM 637 CB ILE A 41 3.118 -12.584 11.417 1.00 0.00 C ATOM 638 CG1 ILE A 41 3.643 -11.929 12.696 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.934 -11.806 10.862 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.039 -10.481 12.514 1.00 0.00 C ATOM 0 H ILE A 41 4.721 -14.420 11.072 1.00 0.00 H new ATOM 0 HA ILE A 41 2.542 -14.186 12.749 1.00 0.00 H new ATOM 0 HB ILE A 41 3.903 -12.564 10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.877 -11.993 13.469 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.505 -12.491 13.055 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.229 -10.772 10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.610 -12.256 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.113 -11.832 11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.402 -10.081 13.461 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.828 -10.411 11.765 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.174 -9.906 12.185 1.00 0.00 H new ATOM 652 N THR A 42 0.354 -14.421 11.569 1.00 0.00 N ATOM 653 CA THR A 42 -0.915 -14.769 10.937 1.00 0.00 C ATOM 654 C THR A 42 -1.613 -13.520 10.423 1.00 0.00 C ATOM 655 O THR A 42 -1.445 -12.439 10.986 1.00 0.00 O ATOM 656 CB THR A 42 -1.838 -15.489 11.931 1.00 0.00 C ATOM 657 OG1 THR A 42 -3.155 -15.575 11.422 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.920 -14.811 13.282 1.00 0.00 C ATOM 0 H THR A 42 0.276 -14.155 12.551 1.00 0.00 H new ATOM 0 HA THR A 42 -0.700 -15.435 10.101 1.00 0.00 H new ATOM 0 HB THR A 42 -1.395 -16.476 12.063 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.686 -16.172 11.989 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.589 -15.375 13.932 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.927 -14.771 13.730 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.303 -13.798 13.158 1.00 0.00 H new ATOM 666 N PRO A 43 -2.434 -13.642 9.360 1.00 0.00 N ATOM 667 CA PRO A 43 -3.170 -12.500 8.819 1.00 0.00 C ATOM 668 C PRO A 43 -3.835 -11.710 9.939 1.00 0.00 C ATOM 669 O PRO A 43 -4.020 -10.502 9.842 1.00 0.00 O ATOM 670 CB PRO A 43 -4.215 -13.154 7.915 1.00 0.00 C ATOM 671 CG PRO A 43 -3.585 -14.433 7.480 1.00 0.00 C ATOM 672 CD PRO A 43 -2.725 -14.891 8.631 1.00 0.00 C ATOM 0 HA PRO A 43 -2.535 -11.789 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.147 -13.333 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.455 -12.519 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.343 -15.178 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.986 -14.286 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.247 -15.611 9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.812 -15.375 8.283 1.00 0.00 H new ATOM 680 N VAL A 44 -4.151 -12.424 11.019 1.00 0.00 N ATOM 681 CA VAL A 44 -4.759 -11.844 12.208 1.00 0.00 C ATOM 682 C VAL A 44 -3.864 -10.771 12.794 1.00 0.00 C ATOM 683 O VAL A 44 -4.331 -9.718 13.208 1.00 0.00 O ATOM 684 CB VAL A 44 -4.949 -12.927 13.267 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.588 -12.373 14.523 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.746 -14.093 12.711 1.00 0.00 C ATOM 0 H VAL A 44 -3.990 -13.429 11.090 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.717 -11.411 11.922 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.961 -13.296 13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.707 -13.173 15.254 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.953 -11.592 14.940 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.565 -11.955 14.280 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.868 -14.852 13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.726 -13.743 12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.217 -14.523 11.861 1.00 0.00 H new ATOM 696 N ILE A 45 -2.567 -11.055 12.828 1.00 0.00 N ATOM 697 CA ILE A 45 -1.594 -10.115 13.360 1.00 0.00 C ATOM 698 C ILE A 45 -1.711 -8.795 12.633 1.00 0.00 C ATOM 699 O ILE A 45 -1.859 -7.737 13.246 1.00 0.00 O ATOM 700 CB ILE A 45 -0.158 -10.647 13.209 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.060 -12.094 13.681 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.829 -9.770 13.961 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.370 -12.281 15.146 1.00 0.00 C ATOM 0 H ILE A 45 -2.167 -11.931 12.492 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.803 -9.981 14.421 1.00 0.00 H new ATOM 0 HB ILE A 45 0.099 -10.617 12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.746 -12.705 13.094 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.946 -12.463 13.482 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.836 -10.168 13.838 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.789 -8.755 13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.571 -9.757 15.020 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.279 -13.336 15.405 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.331 -11.699 15.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.387 -11.944 15.349 1.00 0.00 H new ATOM 715 N PHE A 46 -1.674 -8.873 11.315 1.00 0.00 N ATOM 716 CA PHE A 46 -1.807 -7.700 10.484 1.00 0.00 C ATOM 717 C PHE A 46 -3.241 -7.199 10.539 1.00 0.00 C ATOM 718 O PHE A 46 -3.488 -5.996 10.557 1.00 0.00 O ATOM 719 CB PHE A 46 -1.437 -8.029 9.042 1.00 0.00 C ATOM 720 CG PHE A 46 -0.066 -8.622 8.878 1.00 0.00 C ATOM 721 CD1 PHE A 46 0.095 -9.886 8.336 1.00 0.00 C ATOM 722 CD2 PHE A 46 1.059 -7.906 9.244 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.353 -10.423 8.157 1.00 0.00 C ATOM 724 CE2 PHE A 46 2.321 -8.441 9.074 1.00 0.00 C ATOM 725 CZ PHE A 46 2.467 -9.701 8.526 1.00 0.00 C ATOM 0 H PHE A 46 -1.552 -9.744 10.799 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.133 -6.927 10.854 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.172 -8.726 8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.501 -7.119 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.775 -10.458 8.050 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.950 -6.918 9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.465 -11.408 7.728 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.192 -7.875 9.369 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.453 -10.119 8.387 1.00 0.00 H new ATOM 735 N HIS A 47 -4.185 -8.140 10.578 1.00 0.00 N ATOM 736 CA HIS A 47 -5.598 -7.795 10.634 1.00 0.00 C ATOM 737 C HIS A 47 -5.905 -7.038 11.921 1.00 0.00 C ATOM 738 O HIS A 47 -6.783 -6.179 11.952 1.00 0.00 O ATOM 739 CB HIS A 47 -6.461 -9.064 10.509 1.00 0.00 C ATOM 740 CG HIS A 47 -7.621 -9.132 11.457 1.00 0.00 C ATOM 741 ND1 HIS A 47 -8.935 -9.204 11.044 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.652 -9.145 12.807 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.723 -9.261 12.103 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.969 -9.228 13.187 1.00 0.00 N ATOM 0 H HIS A 47 -3.994 -9.142 10.572 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.840 -7.142 9.796 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.839 -9.130 9.489 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.826 -9.935 10.671 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.798 -9.099 13.467 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.801 -9.324 12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.309 -9.259 14.148 1.00 0.00 H new ATOM 753 N ASN A 48 -5.160 -7.351 12.975 1.00 0.00 N ATOM 754 CA ASN A 48 -5.346 -6.688 14.254 1.00 0.00 C ATOM 755 C ASN A 48 -4.502 -5.426 14.292 1.00 0.00 C ATOM 756 O ASN A 48 -4.862 -4.443 14.934 1.00 0.00 O ATOM 757 CB ASN A 48 -4.977 -7.616 15.413 1.00 0.00 C ATOM 758 CG ASN A 48 -5.998 -7.578 16.532 1.00 0.00 C ATOM 759 OD1 ASN A 48 -5.906 -6.760 17.445 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.979 -8.471 16.466 1.00 0.00 N ATOM 0 H ASN A 48 -4.425 -8.058 12.966 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.398 -6.424 14.365 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.886 -8.637 15.042 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.001 -7.332 15.806 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.695 -8.496 17.192 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.016 -9.131 15.690 1.00 0.00 H new ATOM 767 N LEU A 49 -3.395 -5.448 13.555 1.00 0.00 N ATOM 768 CA LEU A 49 -2.526 -4.289 13.455 1.00 0.00 C ATOM 769 C LEU A 49 -3.333 -3.174 12.830 1.00 0.00 C ATOM 770 O LEU A 49 -3.570 -2.126 13.425 1.00 0.00 O ATOM 771 CB LEU A 49 -1.330 -4.611 12.556 1.00 0.00 C ATOM 772 CG LEU A 49 -0.014 -4.865 13.273 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.139 -4.770 12.291 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.167 -3.874 14.407 1.00 0.00 C ATOM 0 H LEU A 49 -3.082 -6.258 13.020 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.155 -4.003 14.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.573 -5.491 11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.189 -3.784 11.860 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.029 -5.870 13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.078 -4.953 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.010 -5.514 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.159 -3.774 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.113 -4.068 14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.170 -2.860 14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.652 -3.981 15.118 1.00 0.00 H new ATOM 786 N ILE A 50 -3.786 -3.467 11.628 1.00 0.00 N ATOM 787 CA ILE A 50 -4.631 -2.571 10.855 1.00 0.00 C ATOM 788 C ILE A 50 -5.801 -2.097 11.708 1.00 0.00 C ATOM 789 O ILE A 50 -5.957 -0.914 12.000 1.00 0.00 O ATOM 790 CB ILE A 50 -5.223 -3.310 9.634 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.143 -3.993 8.807 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.045 -2.375 8.762 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.606 -5.317 8.243 1.00 0.00 C ATOM 0 H ILE A 50 -3.577 -4.344 11.152 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.019 -1.729 10.531 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.884 -4.083 10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.844 -3.337 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.260 -4.153 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.446 -2.928 7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.867 -1.961 9.346 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.412 -1.564 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.801 -5.766 7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.879 -5.985 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.472 -5.156 7.601 1.00 0.00 H new ATOM 805 N MET A 51 -6.623 -3.068 12.076 1.00 0.00 N ATOM 806 CA MET A 51 -7.821 -2.855 12.874 1.00 0.00 C ATOM 807 C MET A 51 -7.556 -2.090 14.175 1.00 0.00 C ATOM 808 O MET A 51 -8.367 -1.256 14.583 1.00 0.00 O ATOM 809 CB MET A 51 -8.425 -4.225 13.187 1.00 0.00 C ATOM 810 CG MET A 51 -9.893 -4.175 13.586 1.00 0.00 C ATOM 811 SD MET A 51 -10.886 -5.447 12.773 1.00 0.00 S ATOM 812 CE MET A 51 -10.132 -5.489 11.147 1.00 0.00 C ATOM 0 H MET A 51 -6.473 -4.045 11.824 1.00 0.00 H new ATOM 0 HA MET A 51 -8.508 -2.235 12.297 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.318 -4.867 12.312 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.855 -4.687 13.993 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.975 -4.293 14.667 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.298 -3.193 13.341 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.838 -5.907 10.429 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.863 -4.477 10.844 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.236 -6.109 11.177 1.00 0.00 H new ATOM 822 N ASP A 52 -6.452 -2.399 14.843 1.00 0.00 N ATOM 823 CA ASP A 52 -6.123 -1.763 16.120 1.00 0.00 C ATOM 824 C ASP A 52 -5.276 -0.498 15.973 1.00 0.00 C ATOM 825 O ASP A 52 -5.238 0.330 16.883 1.00 0.00 O ATOM 826 CB ASP A 52 -5.396 -2.758 17.024 1.00 0.00 C ATOM 827 CG ASP A 52 -5.545 -2.420 18.494 1.00 0.00 C ATOM 828 OD1 ASP A 52 -6.698 -2.266 18.952 1.00 0.00 O ATOM 829 OD2 ASP A 52 -4.513 -2.310 19.187 1.00 0.00 O ATOM 0 H ASP A 52 -5.767 -3.085 14.525 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.071 -1.459 16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.785 -3.760 16.843 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.338 -2.775 16.764 1.00 0.00 H new ATOM 834 N MET A 53 -4.574 -0.353 14.855 1.00 0.00 N ATOM 835 CA MET A 53 -3.715 0.814 14.654 1.00 0.00 C ATOM 836 C MET A 53 -4.145 1.654 13.454 1.00 0.00 C ATOM 837 O MET A 53 -4.447 2.837 13.593 1.00 0.00 O ATOM 838 CB MET A 53 -2.263 0.367 14.475 1.00 0.00 C ATOM 839 CG MET A 53 -1.658 -0.247 15.726 1.00 0.00 C ATOM 840 SD MET A 53 -1.239 0.986 16.974 1.00 0.00 S ATOM 841 CE MET A 53 0.263 1.670 16.279 1.00 0.00 C ATOM 0 H MET A 53 -4.580 -1.018 14.082 1.00 0.00 H new ATOM 0 HA MET A 53 -3.808 1.440 15.542 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.212 -0.358 13.663 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.662 1.225 14.174 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.361 -0.963 16.151 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.761 -0.803 15.455 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.396 2.692 16.634 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.115 1.065 16.588 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.193 1.670 15.191 1.00 0.00 H new ATOM 851 N VAL A 54 -4.157 1.041 12.278 1.00 0.00 N ATOM 852 CA VAL A 54 -4.533 1.739 11.055 1.00 0.00 C ATOM 853 C VAL A 54 -5.980 2.229 11.096 1.00 0.00 C ATOM 854 O VAL A 54 -6.242 3.425 10.972 1.00 0.00 O ATOM 855 CB VAL A 54 -4.340 0.833 9.824 1.00 0.00 C ATOM 856 CG1 VAL A 54 -4.790 1.537 8.552 1.00 0.00 C ATOM 857 CG2 VAL A 54 -2.888 0.395 9.708 1.00 0.00 C ATOM 0 H VAL A 54 -3.910 0.060 12.145 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.878 2.607 10.977 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.960 -0.054 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.643 0.875 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.846 1.795 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.204 2.445 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.770 -0.244 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.250 1.273 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.602 -0.158 10.603 1.00 0.00 H new ATOM 867 N LEU A 55 -6.917 1.298 11.246 1.00 0.00 N ATOM 868 CA LEU A 55 -8.340 1.631 11.279 1.00 0.00 C ATOM 869 C LEU A 55 -8.628 2.835 12.172 1.00 0.00 C ATOM 870 O LEU A 55 -9.232 3.811 11.726 1.00 0.00 O ATOM 871 CB LEU A 55 -9.160 0.423 11.716 1.00 0.00 C ATOM 872 CG LEU A 55 -9.551 -0.514 10.578 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.709 0.057 9.783 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.366 -0.774 9.665 1.00 0.00 C ATOM 0 H LEU A 55 -6.717 0.303 11.347 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.634 1.907 10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.590 -0.140 12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.066 0.773 12.211 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.866 -1.461 11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.970 -0.629 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.569 0.191 10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.421 1.020 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.667 -1.445 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.019 0.169 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.560 -1.233 10.237 1.00 0.00 H new ATOM 886 N PRO A 56 -8.194 2.802 13.444 1.00 0.00 N ATOM 887 CA PRO A 56 -8.409 3.913 14.372 1.00 0.00 C ATOM 888 C PRO A 56 -7.613 5.160 13.985 1.00 0.00 C ATOM 889 O PRO A 56 -7.628 6.158 14.706 1.00 0.00 O ATOM 890 CB PRO A 56 -7.917 3.369 15.724 1.00 0.00 C ATOM 891 CG PRO A 56 -7.769 1.898 15.534 1.00 0.00 C ATOM 892 CD PRO A 56 -7.460 1.699 14.080 1.00 0.00 C ATOM 0 HA PRO A 56 -9.453 4.227 14.381 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.969 3.825 16.008 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.629 3.592 16.519 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.970 1.502 16.161 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.683 1.374 15.814 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.390 1.756 13.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.799 0.727 13.723 1.00 0.00 H new ATOM 900 N LYS A 57 -6.922 5.108 12.843 1.00 0.00 N ATOM 901 CA LYS A 57 -6.137 6.246 12.382 1.00 0.00 C ATOM 902 C LYS A 57 -6.166 6.332 10.860 1.00 0.00 C ATOM 903 O LYS A 57 -5.288 6.933 10.244 1.00 0.00 O ATOM 904 CB LYS A 57 -4.691 6.133 12.876 1.00 0.00 C ATOM 905 CG LYS A 57 -4.259 7.292 13.757 1.00 0.00 C ATOM 906 CD LYS A 57 -4.582 7.033 15.220 1.00 0.00 C ATOM 907 CE LYS A 57 -4.801 8.331 15.980 1.00 0.00 C ATOM 908 NZ LYS A 57 -5.483 8.102 17.284 1.00 0.00 N ATOM 0 H LYS A 57 -6.893 4.295 12.228 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.577 7.155 12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.577 5.202 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.025 6.074 12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.187 7.456 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.758 8.204 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.475 6.413 15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.767 6.474 15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.841 8.817 16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.398 9.011 15.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.614 9.011 17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.410 7.661 17.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.902 7.473 17.874 1.00 0.00 H new ATOM 922 N VAL A 58 -7.184 5.722 10.264 1.00 0.00 N ATOM 923 CA VAL A 58 -7.336 5.722 8.820 1.00 0.00 C ATOM 924 C VAL A 58 -8.097 6.952 8.354 1.00 0.00 C ATOM 925 O VAL A 58 -8.715 7.658 9.152 1.00 0.00 O ATOM 926 CB VAL A 58 -8.083 4.458 8.341 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.578 4.586 8.595 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.822 4.196 6.868 1.00 0.00 C ATOM 0 H VAL A 58 -7.918 5.220 10.764 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.334 5.732 8.390 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.704 3.611 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.084 3.684 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.756 4.716 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.966 5.449 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.360 3.300 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.165 5.048 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.754 4.052 6.708 1.00 0.00 H new ATOM 938 N VAL A 59 -8.062 7.187 7.056 1.00 0.00 N ATOM 939 CA VAL A 59 -8.760 8.311 6.466 1.00 0.00 C ATOM 940 C VAL A 59 -9.454 7.876 5.188 1.00 0.00 C ATOM 941 O VAL A 59 -8.961 7.002 4.478 1.00 0.00 O ATOM 942 CB VAL A 59 -7.800 9.473 6.154 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.143 9.979 7.426 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.751 9.051 5.133 1.00 0.00 C ATOM 0 H VAL A 59 -7.553 6.609 6.387 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.496 8.660 7.190 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.381 10.288 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.468 10.800 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.910 10.330 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.579 9.170 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.084 9.889 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.173 8.216 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.244 8.746 4.210 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.309 5.574 -1.789 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.702 4.493 -1.017 1.00 0.00 C ATOM 1054 C VAL A 66 -1.553 5.033 -0.168 1.00 0.00 C ATOM 1055 O VAL A 66 -0.412 5.096 -0.625 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.174 3.412 -1.966 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.499 2.286 -1.196 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.318 2.890 -2.818 1.00 0.00 C ATOM 0 HA VAL A 66 -3.458 4.062 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.418 3.849 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.135 1.534 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.661 2.687 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.217 1.830 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.946 2.121 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.087 2.465 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.743 3.709 -3.398 1.00 0.00 H new ATOM 1068 N THR A 67 -1.860 5.445 1.059 1.00 0.00 N ATOM 1069 CA THR A 67 -0.846 6.002 1.950 1.00 0.00 C ATOM 1070 C THR A 67 -0.331 4.960 2.936 1.00 0.00 C ATOM 1071 O THR A 67 -0.906 3.882 3.076 1.00 0.00 O ATOM 1072 CB THR A 67 -1.413 7.210 2.707 1.00 0.00 C ATOM 1073 OG1 THR A 67 -0.367 8.025 3.202 1.00 0.00 O ATOM 1074 CG2 THR A 67 -2.296 6.834 3.879 1.00 0.00 C ATOM 0 H THR A 67 -2.798 5.404 1.458 1.00 0.00 H new ATOM 0 HA THR A 67 -0.005 6.324 1.336 1.00 0.00 H new ATOM 0 HB THR A 67 -2.022 7.743 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.748 8.791 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.660 7.739 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.143 6.248 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.721 6.244 4.593 1.00 0.00 H new ATOM 1082 N LYS A 68 0.754 5.300 3.625 1.00 0.00 N ATOM 1083 CA LYS A 68 1.349 4.403 4.607 1.00 0.00 C ATOM 1084 C LYS A 68 1.044 4.880 6.022 1.00 0.00 C ATOM 1085 O LYS A 68 1.084 6.075 6.309 1.00 0.00 O ATOM 1086 CB LYS A 68 2.863 4.310 4.404 1.00 0.00 C ATOM 1087 CG LYS A 68 3.437 2.946 4.751 1.00 0.00 C ATOM 1088 CD LYS A 68 4.945 2.908 4.552 1.00 0.00 C ATOM 1089 CE LYS A 68 5.683 2.932 5.880 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.927 3.749 5.811 1.00 0.00 N ATOM 0 H LYS A 68 1.239 6.191 3.520 1.00 0.00 H new ATOM 0 HA LYS A 68 0.915 3.413 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.097 4.541 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.351 5.068 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.199 2.703 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.968 2.184 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.218 2.009 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.255 3.760 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.027 3.334 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.934 1.913 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.400 3.739 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.564 3.351 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.686 4.728 5.556 1.00 0.00 H new ATOM 1104 N MET A 69 0.735 3.933 6.904 1.00 0.00 N ATOM 1105 CA MET A 69 0.420 4.250 8.292 1.00 0.00 C ATOM 1106 C MET A 69 1.476 5.175 8.897 1.00 0.00 C ATOM 1107 O MET A 69 1.183 5.963 9.795 1.00 0.00 O ATOM 1108 CB MET A 69 0.317 2.966 9.116 1.00 0.00 C ATOM 1109 CG MET A 69 -0.846 2.961 10.093 1.00 0.00 C ATOM 1110 SD MET A 69 -0.669 4.207 11.382 1.00 0.00 S ATOM 1111 CE MET A 69 -2.348 4.287 12.002 1.00 0.00 C ATOM 0 H MET A 69 0.696 2.939 6.681 1.00 0.00 H new ATOM 0 HA MET A 69 -0.540 4.767 8.312 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.216 2.117 8.439 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.246 2.824 9.669 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.774 3.135 9.549 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.926 1.976 10.553 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.437 5.114 12.707 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.036 4.444 11.171 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.595 3.352 12.506 1.00 0.00 H new ATOM 1121 N SER A 70 2.703 5.068 8.397 1.00 0.00 N ATOM 1122 CA SER A 70 3.807 5.890 8.883 1.00 0.00 C ATOM 1123 C SER A 70 3.929 5.806 10.400 1.00 0.00 C ATOM 1124 O SER A 70 4.429 6.725 11.048 1.00 0.00 O ATOM 1125 CB SER A 70 3.619 7.345 8.452 1.00 0.00 C ATOM 1126 OG SER A 70 2.555 7.954 9.162 1.00 0.00 O ATOM 0 H SER A 70 2.959 4.418 7.653 1.00 0.00 H new ATOM 0 HA SER A 70 4.728 5.506 8.445 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.541 7.901 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.417 7.387 7.382 1.00 0.00 H new ATOM 0 HG SER A 70 2.127 7.291 9.743 1.00 0.00 H new ATOM 1132 N MET A 71 3.469 4.694 10.958 1.00 0.00 N ATOM 1133 CA MET A 71 3.528 4.479 12.400 1.00 0.00 C ATOM 1134 C MET A 71 4.473 3.330 12.748 1.00 0.00 C ATOM 1135 O MET A 71 4.806 3.123 13.914 1.00 0.00 O ATOM 1136 CB MET A 71 2.129 4.192 12.950 1.00 0.00 C ATOM 1137 CG MET A 71 2.098 3.971 14.453 1.00 0.00 C ATOM 1138 SD MET A 71 2.709 5.395 15.376 1.00 0.00 S ATOM 1139 CE MET A 71 1.304 6.502 15.256 1.00 0.00 C ATOM 0 H MET A 71 3.050 3.925 10.434 1.00 0.00 H new ATOM 0 HA MET A 71 3.914 5.389 12.860 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.472 5.025 12.700 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.727 3.309 12.453 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.076 3.753 14.763 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.700 3.097 14.700 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.633 7.467 14.870 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.561 6.075 14.582 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.862 6.638 16.243 1.00 0.00 H new ATOM 1149 N ASN A 72 4.900 2.581 11.732 1.00 0.00 N ATOM 1150 CA ASN A 72 5.801 1.454 11.942 1.00 0.00 C ATOM 1151 C ASN A 72 5.167 0.423 12.871 1.00 0.00 C ATOM 1152 O ASN A 72 5.708 0.105 13.930 1.00 0.00 O ATOM 1153 CB ASN A 72 7.133 1.937 12.519 1.00 0.00 C ATOM 1154 CG ASN A 72 8.320 1.192 11.937 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.365 1.784 11.664 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.165 -0.113 11.744 1.00 0.00 N ATOM 0 H ASN A 72 4.636 2.735 10.759 1.00 0.00 H new ATOM 0 HA ASN A 72 5.987 0.981 10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.245 3.003 12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.124 1.811 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.929 -0.665 11.355 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.282 -0.563 11.985 1.00 0.00 H new ATOM 1163 N LEU A 73 4.014 -0.093 12.464 1.00 0.00 N ATOM 1164 CA LEU A 73 3.296 -1.088 13.251 1.00 0.00 C ATOM 1165 C LEU A 73 4.150 -2.331 13.458 1.00 0.00 C ATOM 1166 O LEU A 73 4.495 -2.684 14.586 1.00 0.00 O ATOM 1167 CB LEU A 73 1.987 -1.461 12.559 1.00 0.00 C ATOM 1168 CG LEU A 73 0.887 -0.403 12.655 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.306 0.871 11.941 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.410 -0.936 12.076 1.00 0.00 C ATOM 0 H LEU A 73 3.555 0.162 11.590 1.00 0.00 H new ATOM 0 HA LEU A 73 3.072 -0.657 14.227 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.192 -1.658 11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.616 -2.391 12.991 1.00 0.00 H new ATOM 0 HG LEU A 73 0.726 -0.168 13.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.510 1.611 12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.214 1.263 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.495 0.654 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.183 -0.172 12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.260 -1.198 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.720 -1.821 12.631 1.00 0.00 H new ATOM 1182 N ILE A 74 4.488 -2.986 12.358 1.00 0.00 N ATOM 1183 CA ILE A 74 5.306 -4.191 12.399 1.00 0.00 C ATOM 1184 C ILE A 74 6.593 -3.995 11.606 1.00 0.00 C ATOM 1185 O ILE A 74 6.653 -3.173 10.691 1.00 0.00 O ATOM 1186 CB ILE A 74 4.527 -5.413 11.849 1.00 0.00 C ATOM 1187 CG1 ILE A 74 4.035 -6.293 12.999 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.379 -6.236 10.885 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.373 -7.574 12.535 1.00 0.00 C ATOM 0 H ILE A 74 4.207 -2.702 11.420 1.00 0.00 H new ATOM 0 HA ILE A 74 5.560 -4.384 13.441 1.00 0.00 H new ATOM 0 HB ILE A 74 3.668 -5.034 11.296 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.878 -6.541 13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.328 -5.726 13.604 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.799 -7.084 10.520 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.680 -5.613 10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.267 -6.599 11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.048 -8.150 13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.510 -7.333 11.915 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.084 -8.162 11.955 1.00 0.00 H new ATOM 1201 N ASP A 75 7.617 -4.763 11.955 1.00 0.00 N ATOM 1202 CA ASP A 75 8.897 -4.683 11.268 1.00 0.00 C ATOM 1203 C ASP A 75 8.997 -5.765 10.204 1.00 0.00 C ATOM 1204 O ASP A 75 8.553 -6.895 10.408 1.00 0.00 O ATOM 1205 CB ASP A 75 10.050 -4.817 12.263 1.00 0.00 C ATOM 1206 CG ASP A 75 11.380 -4.403 11.666 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.380 -3.553 10.751 1.00 0.00 O ATOM 1208 OD2 ASP A 75 12.421 -4.929 12.113 1.00 0.00 O ATOM 0 H ASP A 75 7.585 -5.448 12.710 1.00 0.00 H new ATOM 0 HA ASP A 75 8.965 -3.708 10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.842 -4.204 13.140 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.114 -5.850 12.604 1.00 0.00 H new ATOM 1213 N GLY A 76 9.576 -5.410 9.066 1.00 0.00 N ATOM 1214 CA GLY A 76 9.719 -6.358 7.981 1.00 0.00 C ATOM 1215 C GLY A 76 8.805 -6.040 6.817 1.00 0.00 C ATOM 1216 O GLY A 76 9.152 -6.292 5.662 1.00 0.00 O ATOM 0 H GLY A 76 9.950 -4.480 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.754 -6.361 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.502 -7.361 8.347 1.00 0.00 H new ATOM 1220 N PHE A 77 7.631 -5.488 7.114 1.00 0.00 N ATOM 1221 CA PHE A 77 6.672 -5.139 6.067 1.00 0.00 C ATOM 1222 C PHE A 77 6.240 -3.677 6.181 1.00 0.00 C ATOM 1223 O PHE A 77 6.426 -3.042 7.217 1.00 0.00 O ATOM 1224 CB PHE A 77 5.441 -6.048 6.138 1.00 0.00 C ATOM 1225 CG PHE A 77 5.686 -7.352 6.841 1.00 0.00 C ATOM 1226 CD1 PHE A 77 6.384 -8.374 6.218 1.00 0.00 C ATOM 1227 CD2 PHE A 77 5.213 -7.554 8.122 1.00 0.00 C ATOM 1228 CE1 PHE A 77 6.604 -9.575 6.866 1.00 0.00 C ATOM 1229 CE2 PHE A 77 5.429 -8.750 8.777 1.00 0.00 C ATOM 1230 CZ PHE A 77 6.124 -9.762 8.149 1.00 0.00 C ATOM 0 H PHE A 77 7.322 -5.274 8.062 1.00 0.00 H new ATOM 0 HA PHE A 77 7.166 -5.282 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.638 -5.516 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.094 -6.252 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.760 -8.231 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.667 -6.766 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.149 -10.365 6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.054 -8.893 9.780 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.293 -10.699 8.659 1.00 0.00 H new ATOM 1240 N ASP A 78 5.657 -3.156 5.103 1.00 0.00 N ATOM 1241 CA ASP A 78 5.188 -1.772 5.071 1.00 0.00 C ATOM 1242 C ASP A 78 3.662 -1.721 5.160 1.00 0.00 C ATOM 1243 O ASP A 78 2.971 -2.429 4.431 1.00 0.00 O ATOM 1244 CB ASP A 78 5.664 -1.079 3.792 1.00 0.00 C ATOM 1245 CG ASP A 78 6.759 -0.065 4.056 1.00 0.00 C ATOM 1246 OD1 ASP A 78 6.972 0.816 3.197 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.404 -0.152 5.123 1.00 0.00 O ATOM 0 H ASP A 78 5.498 -3.673 4.238 1.00 0.00 H new ATOM 0 HA ASP A 78 5.604 -1.248 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.029 -1.829 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.819 -0.581 3.316 1.00 0.00 H new ATOM 1252 N CYS A 79 3.145 -0.893 6.067 1.00 0.00 N ATOM 1253 CA CYS A 79 1.700 -0.774 6.263 1.00 0.00 C ATOM 1254 C CYS A 79 1.095 0.385 5.465 1.00 0.00 C ATOM 1255 O CYS A 79 1.351 1.551 5.753 1.00 0.00 O ATOM 1256 CB CYS A 79 1.385 -0.591 7.750 1.00 0.00 C ATOM 1257 SG CYS A 79 2.305 -1.701 8.841 1.00 0.00 S ATOM 0 H CYS A 79 3.704 -0.296 6.677 1.00 0.00 H new ATOM 0 HA CYS A 79 1.251 -1.697 5.896 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.601 0.440 8.032 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.318 -0.747 7.906 1.00 0.00 H new ATOM 0 HG CYS A 79 1.624 -2.794 9.023 1.00 0.00 H new ATOM 1263 N PHE A 80 0.275 0.041 4.474 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.395 1.035 3.635 1.00 0.00 C ATOM 1265 C PHE A 80 -1.912 0.852 3.694 1.00 0.00 C ATOM 1266 O PHE A 80 -2.402 -0.276 3.696 1.00 0.00 O ATOM 1267 CB PHE A 80 0.074 0.903 2.183 1.00 0.00 C ATOM 1268 CG PHE A 80 1.403 1.549 1.905 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.467 2.846 1.424 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.582 0.856 2.121 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.685 3.442 1.164 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.805 1.449 1.864 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.856 2.743 1.384 1.00 0.00 C ATOM 0 H PHE A 80 0.057 -0.925 4.231 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.140 2.026 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.136 -0.155 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.677 1.346 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.555 3.397 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.546 -0.157 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.722 4.454 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.719 0.901 2.039 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.810 3.208 1.181 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.658 1.958 3.724 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.118 1.879 3.761 1.00 0.00 C ATOM 1285 C TYR A 81 -4.749 2.799 2.722 1.00 0.00 C ATOM 1286 O TYR A 81 -4.353 3.956 2.571 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.668 2.184 5.161 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.302 3.547 5.717 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -4.816 4.716 5.164 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.452 3.659 6.811 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.489 5.954 5.687 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -3.122 4.892 7.337 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.642 6.035 6.771 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.316 7.266 7.293 1.00 0.00 O ATOM 0 H TYR A 81 -2.281 2.906 3.723 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.389 0.852 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.754 2.101 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.308 1.420 5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.480 4.656 4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.042 2.765 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.896 6.853 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.460 4.960 8.187 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.710 7.148 8.055 1.00 0.00 H new ATOM 1304 N SER A 82 -5.729 2.262 2.001 1.00 0.00 N ATOM 1305 CA SER A 82 -6.428 3.007 0.961 1.00 0.00 C ATOM 1306 C SER A 82 -7.932 2.768 1.048 1.00 0.00 C ATOM 1307 O SER A 82 -8.389 1.636 0.904 1.00 0.00 O ATOM 1308 CB SER A 82 -5.928 2.572 -0.419 1.00 0.00 C ATOM 1309 OG SER A 82 -6.801 3.014 -1.441 1.00 0.00 O ATOM 0 H SER A 82 -6.059 1.304 2.121 1.00 0.00 H new ATOM 0 HA SER A 82 -6.227 4.068 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.930 2.974 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.844 1.486 -0.453 1.00 0.00 H new ATOM 0 HG SER A 82 -6.458 2.724 -2.312 1.00 0.00 H new ATOM 1315 N THR A 83 -8.704 3.825 1.282 1.00 0.00 N ATOM 1316 CA THR A 83 -10.152 3.679 1.376 1.00 0.00 C ATOM 1317 C THR A 83 -10.800 3.728 -0.003 1.00 0.00 C ATOM 1318 O THR A 83 -10.346 4.452 -0.890 1.00 0.00 O ATOM 1319 CB THR A 83 -10.762 4.744 2.286 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.549 6.041 1.760 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.210 4.713 3.691 1.00 0.00 C ATOM 0 H THR A 83 -8.359 4.776 1.408 1.00 0.00 H new ATOM 0 HA THR A 83 -10.351 2.702 1.816 1.00 0.00 H new ATOM 0 HB THR A 83 -11.826 4.513 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.046 6.578 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.684 5.494 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.413 3.741 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.134 4.882 3.663 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.858 2.938 -0.176 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.576 2.868 -1.446 1.00 0.00 C ATOM 1331 C ASP A 84 -12.795 4.254 -2.044 1.00 0.00 C ATOM 1332 O ASP A 84 -12.940 5.240 -1.322 1.00 0.00 O ATOM 1333 CB ASP A 84 -13.921 2.162 -1.256 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.309 1.318 -2.455 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -13.578 1.350 -3.468 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.345 0.624 -2.381 1.00 0.00 O ATOM 0 H ASP A 84 -12.238 2.334 0.553 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.963 2.295 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.873 1.529 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.696 2.907 -1.074 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.809 4.315 -3.371 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.001 5.577 -4.078 1.00 0.00 C ATOM 1343 C ASP A 85 -14.447 6.057 -3.989 1.00 0.00 C ATOM 1344 O ASP A 85 -14.728 7.239 -4.188 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.596 5.426 -5.545 1.00 0.00 C ATOM 1346 CG ASP A 85 -13.351 4.310 -6.243 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -14.537 4.515 -6.575 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -12.755 3.233 -6.455 1.00 0.00 O ATOM 0 H ASP A 85 -12.690 3.505 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.367 6.323 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.777 6.365 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.526 5.229 -5.605 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.364 5.138 -3.695 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.778 5.486 -3.590 1.00 0.00 C ATOM 1355 C HIS A 86 -17.435 4.807 -2.391 1.00 0.00 C ATOM 1356 O HIS A 86 -18.657 4.677 -2.337 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.512 5.092 -4.873 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.248 3.681 -5.301 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.743 2.718 -4.453 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -17.423 3.070 -6.497 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -16.617 1.579 -5.108 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -17.022 1.765 -6.351 1.00 0.00 N ATOM 0 H HIS A 86 -15.155 4.154 -3.526 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.845 6.564 -3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.584 5.224 -4.725 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.215 5.768 -5.675 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.807 3.525 -7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.246 0.652 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.035 1.055 -7.083 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.622 4.370 -1.432 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.144 3.703 -0.245 1.00 0.00 C ATOM 1373 C ASP A 87 -16.137 3.737 0.903 1.00 0.00 C ATOM 1374 O ASP A 87 -15.319 2.828 1.045 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.512 2.255 -0.572 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.970 2.104 -0.965 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.802 2.896 -0.476 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.279 1.192 -1.762 1.00 0.00 O ATOM 0 H ASP A 87 -15.607 4.465 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.037 4.240 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.880 1.897 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.305 1.626 0.294 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.191 4.781 1.748 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.285 4.919 2.893 1.00 0.00 C ATOM 1385 C PRO A 88 -15.359 3.713 3.827 1.00 0.00 C ATOM 1386 O PRO A 88 -14.453 3.478 4.625 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.788 6.178 3.605 1.00 0.00 C ATOM 1388 CG PRO A 88 -16.536 6.937 2.564 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.143 5.903 1.660 1.00 0.00 C ATOM 0 HA PRO A 88 -14.242 4.984 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.432 5.924 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.959 6.764 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -17.306 7.563 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.871 7.599 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.140 5.613 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.241 6.269 0.638 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.443 2.945 3.715 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.629 1.758 4.540 1.00 0.00 C ATOM 1399 C LYS A 89 -16.099 0.518 3.827 1.00 0.00 C ATOM 1400 O LYS A 89 -16.586 -0.592 4.036 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.109 1.580 4.884 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.647 2.653 5.817 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.077 3.031 5.470 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.663 3.988 6.495 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.006 4.488 6.086 1.00 0.00 N ATOM 0 H LYS A 89 -17.204 3.126 3.060 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.066 1.889 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.691 1.585 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.252 0.603 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.604 2.296 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.012 3.537 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.103 3.492 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.690 2.131 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.741 3.484 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.987 4.832 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.370 5.137 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.928 4.991 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.658 3.685 5.981 1.00 0.00 H new ATOM 1419 N THR A 90 -15.086 0.723 2.993 1.00 0.00 N ATOM 1420 CA THR A 90 -14.459 -0.358 2.246 1.00 0.00 C ATOM 1421 C THR A 90 -12.996 -0.026 2.018 1.00 0.00 C ATOM 1422 O THR A 90 -12.562 0.233 0.895 1.00 0.00 O ATOM 1423 CB THR A 90 -15.179 -0.579 0.912 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.474 -1.113 1.126 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.448 -1.516 -0.027 1.00 0.00 C ATOM 0 H THR A 90 -14.678 1.641 2.817 1.00 0.00 H new ATOM 0 HA THR A 90 -14.531 -1.282 2.820 1.00 0.00 H new ATOM 0 HB THR A 90 -15.224 0.406 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 90 -16.920 -1.246 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.018 -1.624 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.463 -1.108 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.336 -2.491 0.446 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.247 -0.024 3.107 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.829 0.286 3.068 1.00 0.00 C ATOM 1435 C VAL A 91 -10.059 -0.754 2.262 1.00 0.00 C ATOM 1436 O VAL A 91 -10.637 -1.707 1.742 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.226 0.399 4.488 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.095 1.419 4.511 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.298 0.773 5.505 1.00 0.00 C ATOM 0 H VAL A 91 -12.603 -0.236 4.039 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.733 1.255 2.578 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.820 -0.575 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.684 1.484 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.312 1.110 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.479 2.394 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.850 0.846 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.738 1.733 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.074 0.008 5.514 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.753 -0.557 2.166 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.880 -1.458 1.425 1.00 0.00 C ATOM 1451 C TYR A 92 -6.460 -1.370 1.973 1.00 0.00 C ATOM 1452 O TYR A 92 -5.606 -0.697 1.400 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.874 -1.109 -0.068 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.216 -1.275 -0.750 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -10.113 -0.217 -0.835 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.581 -2.489 -1.314 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.336 -0.368 -1.460 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.802 -2.646 -1.941 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.676 -1.582 -2.011 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.890 -1.735 -2.636 1.00 0.00 O ATOM 0 H TYR A 92 -8.268 0.230 2.598 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.258 -2.474 1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.544 -0.077 -0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.142 -1.738 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.850 0.738 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.899 -3.325 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.023 0.464 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.071 -3.598 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.972 -2.652 -2.971 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.220 -2.040 3.092 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.907 -2.020 3.719 1.00 0.00 C ATOM 1472 C VAL A 93 -4.013 -3.121 3.166 1.00 0.00 C ATOM 1473 O VAL A 93 -4.391 -4.292 3.136 1.00 0.00 O ATOM 1474 CB VAL A 93 -5.022 -2.156 5.249 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.648 -2.257 5.895 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.796 -0.979 5.815 1.00 0.00 C ATOM 0 H VAL A 93 -6.916 -2.602 3.582 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.452 -1.057 3.487 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.562 -3.076 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.760 -2.352 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.126 -3.131 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.072 -1.360 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.874 -1.081 6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.276 -0.052 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.795 -0.958 5.380 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.825 -2.728 2.720 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.871 -3.671 2.158 1.00 0.00 C ATOM 1488 C CYS A 94 -0.521 -3.576 2.861 1.00 0.00 C ATOM 1489 O CYS A 94 0.145 -2.540 2.812 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.701 -3.413 0.660 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.502 -4.497 -0.151 1.00 0.00 S ATOM 0 H CYS A 94 -2.501 -1.761 2.738 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.261 -4.678 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.668 -3.530 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.394 -2.377 0.514 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.381 -5.597 0.531 1.00 0.00 H new ATOM 1497 N PHE A 95 -0.117 -4.667 3.501 1.00 0.00 N ATOM 1498 CA PHE A 95 1.161 -4.716 4.198 1.00 0.00 C ATOM 1499 C PHE A 95 2.265 -5.135 3.237 1.00 0.00 C ATOM 1500 O PHE A 95 2.681 -6.293 3.224 1.00 0.00 O ATOM 1501 CB PHE A 95 1.099 -5.699 5.367 1.00 0.00 C ATOM 1502 CG PHE A 95 0.649 -5.081 6.654 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.564 -4.418 6.735 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.437 -5.169 7.788 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.980 -3.855 7.923 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.028 -4.608 8.979 1.00 0.00 C ATOM 1507 CZ PHE A 95 -0.186 -3.950 9.047 1.00 0.00 C ATOM 0 H PHE A 95 -0.658 -5.531 3.551 1.00 0.00 H new ATOM 0 HA PHE A 95 1.378 -3.721 4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.421 -6.513 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.086 -6.139 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.191 -4.341 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.385 -5.684 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.928 -3.340 7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.654 -4.682 9.856 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.512 -3.511 9.978 1.00 0.00 H new ATOM 1517 N THR A 96 2.728 -4.195 2.425 1.00 0.00 N ATOM 1518 CA THR A 96 3.776 -4.482 1.452 1.00 0.00 C ATOM 1519 C THR A 96 5.079 -4.860 2.143 1.00 0.00 C ATOM 1520 O THR A 96 5.100 -5.144 3.338 1.00 0.00 O ATOM 1521 CB THR A 96 4.005 -3.277 0.537 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.059 -2.255 0.800 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.911 -3.625 -0.932 1.00 0.00 C ATOM 0 H THR A 96 2.397 -3.230 2.419 1.00 0.00 H new ATOM 0 HA THR A 96 3.446 -5.329 0.850 1.00 0.00 H new ATOM 0 HB THR A 96 5.017 -2.936 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.522 -1.461 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.082 -2.730 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.663 -4.375 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.919 -4.022 -1.149 1.00 0.00 H new ATOM 1531 N LEU A 97 6.163 -4.858 1.377 1.00 0.00 N ATOM 1532 CA LEU A 97 7.474 -5.195 1.906 1.00 0.00 C ATOM 1533 C LEU A 97 8.322 -3.937 2.057 1.00 0.00 C ATOM 1534 O LEU A 97 8.404 -3.124 1.137 1.00 0.00 O ATOM 1535 CB LEU A 97 8.167 -6.193 0.986 1.00 0.00 C ATOM 1536 CG LEU A 97 7.600 -7.610 1.049 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.081 -8.422 -0.131 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.988 -8.281 2.354 1.00 0.00 C ATOM 0 H LEU A 97 6.157 -4.625 0.384 1.00 0.00 H new ATOM 0 HA LEU A 97 7.351 -5.650 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.097 -5.832 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.226 -6.227 1.240 1.00 0.00 H new ATOM 0 HG LEU A 97 6.512 -7.550 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.669 -9.429 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.752 -7.949 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.170 -8.474 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.575 -9.290 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.074 -8.331 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.593 -7.705 3.191 1.00 0.00 H new ATOM 1550 N VAL A 98 8.947 -3.772 3.221 1.00 0.00 N ATOM 1551 CA VAL A 98 9.782 -2.600 3.480 1.00 0.00 C ATOM 1552 C VAL A 98 10.729 -2.325 2.316 1.00 0.00 C ATOM 1553 O VAL A 98 11.021 -1.172 1.998 1.00 0.00 O ATOM 1554 CB VAL A 98 10.608 -2.752 4.774 1.00 0.00 C ATOM 1555 CG1 VAL A 98 9.805 -2.283 5.978 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.073 -4.189 4.961 1.00 0.00 C ATOM 0 H VAL A 98 8.892 -4.432 3.997 1.00 0.00 H new ATOM 0 HA VAL A 98 9.099 -1.759 3.598 1.00 0.00 H new ATOM 0 HB VAL A 98 11.494 -2.124 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.404 -2.398 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.537 -1.234 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.898 -2.881 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.653 -4.267 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.206 -4.847 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.694 -4.484 4.115 1.00 0.00 H new ATOM 1566 N ASP A 99 11.197 -3.391 1.678 1.00 0.00 N ATOM 1567 CA ASP A 99 12.101 -3.264 0.542 1.00 0.00 C ATOM 1568 C ASP A 99 11.375 -2.655 -0.654 1.00 0.00 C ATOM 1569 O ASP A 99 11.963 -1.913 -1.441 1.00 0.00 O ATOM 1570 CB ASP A 99 12.679 -4.632 0.165 1.00 0.00 C ATOM 1571 CG ASP A 99 14.173 -4.716 0.406 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.615 -5.677 1.070 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.902 -3.819 -0.068 1.00 0.00 O ATOM 0 H ASP A 99 10.966 -4.352 1.928 1.00 0.00 H new ATOM 0 HA ASP A 99 12.919 -2.603 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.177 -5.407 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.472 -4.834 -0.886 1.00 0.00 H new ATOM 1578 N ILE A 100 10.091 -2.973 -0.777 1.00 0.00 N ATOM 1579 CA ILE A 100 9.271 -2.460 -1.869 1.00 0.00 C ATOM 1580 C ILE A 100 8.959 -0.977 -1.664 1.00 0.00 C ATOM 1581 O ILE A 100 8.501 -0.577 -0.594 1.00 0.00 O ATOM 1582 CB ILE A 100 7.940 -3.238 -1.981 1.00 0.00 C ATOM 1583 CG1 ILE A 100 8.207 -4.705 -2.313 1.00 0.00 C ATOM 1584 CG2 ILE A 100 7.026 -2.611 -3.029 1.00 0.00 C ATOM 1585 CD1 ILE A 100 6.968 -5.570 -2.224 1.00 0.00 C ATOM 0 H ILE A 100 9.594 -3.586 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 100 9.842 -2.590 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 100 7.434 -3.185 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.619 -4.774 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.964 -5.094 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.097 -3.178 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.806 -1.581 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.522 -2.626 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.225 -6.600 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.568 -5.529 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.218 -5.205 -2.926 1.00 0.00 H new ATOM 1597 N PRO A 101 9.185 -0.142 -2.692 1.00 0.00 N ATOM 1598 CA PRO A 101 8.908 1.295 -2.608 1.00 0.00 C ATOM 1599 C PRO A 101 7.442 1.564 -2.290 1.00 0.00 C ATOM 1600 O PRO A 101 6.679 0.640 -2.004 1.00 0.00 O ATOM 1601 CB PRO A 101 9.261 1.823 -4.005 1.00 0.00 C ATOM 1602 CG PRO A 101 9.284 0.620 -4.886 1.00 0.00 C ATOM 1603 CD PRO A 101 9.713 -0.521 -4.012 1.00 0.00 C ATOM 0 HA PRO A 101 9.477 1.777 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.524 2.549 -4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.227 2.327 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.301 0.433 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.976 0.757 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.300 -1.470 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.797 -0.632 -3.996 1.00 0.00 H new ATOM 1611 N LYS A 102 7.047 2.831 -2.343 1.00 0.00 N ATOM 1612 CA LYS A 102 5.668 3.209 -2.061 1.00 0.00 C ATOM 1613 C LYS A 102 4.910 3.491 -3.355 1.00 0.00 C ATOM 1614 O LYS A 102 4.482 4.617 -3.604 1.00 0.00 O ATOM 1615 CB LYS A 102 5.630 4.437 -1.148 1.00 0.00 C ATOM 1616 CG LYS A 102 6.227 5.685 -1.781 1.00 0.00 C ATOM 1617 CD LYS A 102 5.181 6.771 -1.967 1.00 0.00 C ATOM 1618 CE LYS A 102 5.260 7.818 -0.865 1.00 0.00 C ATOM 1619 NZ LYS A 102 5.152 9.202 -1.403 1.00 0.00 N ATOM 0 H LYS A 102 7.660 3.611 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 102 5.182 2.377 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.596 4.640 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.170 4.212 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.035 6.061 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.664 5.431 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.321 7.250 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.187 6.323 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.461 7.646 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.203 7.710 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.210 9.884 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.929 9.376 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.241 9.314 -1.893 1.00 0.00 H new ATOM 1633 N ILE A 103 4.754 2.458 -4.181 1.00 0.00 N ATOM 1634 CA ILE A 103 4.051 2.603 -5.449 1.00 0.00 C ATOM 1635 C ILE A 103 3.325 1.319 -5.847 1.00 0.00 C ATOM 1636 O ILE A 103 2.211 1.372 -6.368 1.00 0.00 O ATOM 1637 CB ILE A 103 5.013 3.044 -6.575 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.284 3.126 -7.922 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.207 2.101 -6.662 1.00 0.00 C ATOM 1640 CD1 ILE A 103 4.185 4.536 -8.467 1.00 0.00 C ATOM 0 H ILE A 103 5.103 1.518 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 103 3.302 3.382 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 103 5.381 4.041 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.804 2.500 -8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.280 2.717 -7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.872 2.429 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.746 2.108 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.858 1.090 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.658 4.521 -9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.639 5.162 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.186 4.941 -8.612 1.00 0.00 H new ATOM 1652 N LEU A 104 3.935 0.161 -5.592 1.00 0.00 N ATOM 1653 CA LEU A 104 3.286 -1.103 -5.928 1.00 0.00 C ATOM 1654 C LEU A 104 1.998 -1.247 -5.131 1.00 0.00 C ATOM 1655 O LEU A 104 0.913 -1.294 -5.702 1.00 0.00 O ATOM 1656 CB LEU A 104 4.195 -2.316 -5.673 1.00 0.00 C ATOM 1657 CG LEU A 104 3.465 -3.671 -5.675 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.077 -4.069 -7.090 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.312 -4.757 -5.032 1.00 0.00 C ATOM 0 H LEU A 104 4.857 0.073 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 104 3.066 -1.082 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.975 -2.336 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.692 -2.186 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 104 2.557 -3.559 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.562 -5.030 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.416 -3.312 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.974 -4.151 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.768 -5.701 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.245 -4.866 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.532 -4.484 -4.000 1.00 0.00 H new ATOM 1671 N PRO A 105 2.094 -1.294 -3.789 1.00 0.00 N ATOM 1672 CA PRO A 105 0.919 -1.411 -2.926 1.00 0.00 C ATOM 1673 C PRO A 105 -0.143 -0.402 -3.318 1.00 0.00 C ATOM 1674 O PRO A 105 -1.339 -0.634 -3.141 1.00 0.00 O ATOM 1675 CB PRO A 105 1.458 -1.127 -1.516 1.00 0.00 C ATOM 1676 CG PRO A 105 2.852 -0.620 -1.710 1.00 0.00 C ATOM 1677 CD PRO A 105 3.330 -1.207 -3.006 1.00 0.00 C ATOM 0 HA PRO A 105 0.442 -2.388 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.841 -0.390 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.451 -2.030 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.869 0.469 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.496 -0.923 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.073 -0.573 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.790 -2.185 -2.864 1.00 0.00 H new ATOM 1685 N ILE A 106 0.308 0.712 -3.881 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.592 1.748 -4.335 1.00 0.00 C ATOM 1687 C ILE A 106 -1.342 1.271 -5.563 1.00 0.00 C ATOM 1688 O ILE A 106 -2.559 1.086 -5.533 1.00 0.00 O ATOM 1689 CB ILE A 106 0.168 3.033 -4.671 1.00 0.00 C ATOM 1690 CG1 ILE A 106 1.059 3.434 -3.499 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.796 4.154 -5.031 1.00 0.00 C ATOM 1692 CD1 ILE A 106 1.675 4.797 -3.661 1.00 0.00 C ATOM 0 H ILE A 106 1.296 0.915 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.295 1.964 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 106 0.800 2.848 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.471 3.415 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.852 2.695 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.233 5.057 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.388 3.860 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.459 4.349 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.296 5.021 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.289 4.814 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.887 5.545 -3.745 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.595 1.044 -6.634 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.177 0.551 -7.876 1.00 0.00 C ATOM 1706 C ARG A 107 -1.944 -0.746 -7.622 1.00 0.00 C ATOM 1707 O ARG A 107 -2.864 -1.092 -8.364 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.086 0.319 -8.922 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.518 0.665 -10.339 1.00 0.00 C ATOM 1710 CD ARG A 107 -0.327 2.145 -10.631 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.382 2.961 -10.034 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.266 4.266 -9.800 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -0.148 4.909 -10.114 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -2.274 4.933 -9.251 1.00 0.00 N ATOM 0 H ARG A 107 0.413 1.193 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.870 1.302 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.788 0.916 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 107 0.221 -0.727 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.058 0.075 -11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.566 0.397 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.641 2.468 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.313 2.303 -11.709 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.258 2.504 -9.782 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.630 4.403 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.067 5.909 -9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.137 4.445 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.186 5.933 -9.071 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.566 -1.454 -6.555 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.225 -2.700 -6.192 1.00 0.00 C ATOM 1730 C ILE A 108 -3.607 -2.411 -5.625 1.00 0.00 C ATOM 1731 O ILE A 108 -4.593 -3.027 -6.024 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.388 -3.495 -5.166 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.045 -3.896 -5.788 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.142 -4.725 -4.674 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -0.115 -5.122 -6.673 1.00 0.00 C ATOM 0 H ILE A 108 -0.807 -1.182 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.324 -3.307 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.202 -2.856 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.336 -3.060 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.673 -4.079 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.527 -5.264 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.072 -4.415 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.366 -5.376 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.875 -5.339 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.464 -5.973 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.807 -4.938 -7.495 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.679 -1.449 -4.709 1.00 0.00 N ATOM 1748 CA LEU A 109 -4.949 -1.062 -4.110 1.00 0.00 C ATOM 1749 C LEU A 109 -5.864 -0.497 -5.182 1.00 0.00 C ATOM 1750 O LEU A 109 -6.884 -1.096 -5.519 1.00 0.00 O ATOM 1751 CB LEU A 109 -4.727 -0.035 -2.996 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.797 -0.583 -1.563 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.684 -2.097 -1.553 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.704 0.037 -0.704 1.00 0.00 C ATOM 0 H LEU A 109 -2.873 -0.925 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.418 -1.942 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.750 0.427 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.472 0.754 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.766 -0.313 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.736 -2.459 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.502 -2.527 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.732 -2.394 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.767 -0.362 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.729 -0.202 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.833 1.119 -0.677 1.00 0.00 H new ATOM 1766 N SER A 110 -5.474 0.641 -5.745 1.00 0.00 N ATOM 1767 CA SER A 110 -6.248 1.253 -6.815 1.00 0.00 C ATOM 1768 C SER A 110 -6.504 0.215 -7.902 1.00 0.00 C ATOM 1769 O SER A 110 -7.505 0.269 -8.613 1.00 0.00 O ATOM 1770 CB SER A 110 -5.509 2.459 -7.396 1.00 0.00 C ATOM 1771 OG SER A 110 -6.194 2.986 -8.519 1.00 0.00 O ATOM 0 H SER A 110 -4.633 1.154 -5.480 1.00 0.00 H new ATOM 0 HA SER A 110 -7.199 1.604 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.409 3.230 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.500 2.166 -7.686 1.00 0.00 H new ATOM 0 HG SER A 110 -5.701 3.757 -8.870 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.585 -0.747 -8.001 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.717 -1.808 -8.972 1.00 0.00 C ATOM 1779 C GLY A 111 -6.867 -2.737 -8.635 1.00 0.00 C ATOM 1780 O GLY A 111 -7.714 -3.010 -9.484 1.00 0.00 O ATOM 0 H GLY A 111 -4.749 -0.804 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.874 -1.378 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.789 -2.378 -9.016 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.915 -3.214 -7.386 1.00 0.00 N ATOM 1785 CA LEU A 112 -8.000 -4.096 -6.959 1.00 0.00 C ATOM 1786 C LEU A 112 -9.332 -3.418 -7.236 1.00 0.00 C ATOM 1787 O LEU A 112 -10.315 -4.063 -7.600 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.896 -4.436 -5.463 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.588 -5.094 -5.006 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.246 -4.671 -3.585 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -6.685 -6.610 -5.082 1.00 0.00 C ATOM 0 H LEU A 112 -6.225 -3.006 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.925 -5.028 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.035 -3.517 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.721 -5.099 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.796 -4.762 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.315 -5.147 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.129 -3.588 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.048 -4.974 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.745 -7.052 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.494 -6.956 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.887 -6.911 -6.110 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.341 -2.098 -7.078 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.532 -1.306 -7.326 1.00 0.00 C ATOM 1805 C GLN A 113 -10.797 -1.208 -8.827 1.00 0.00 C ATOM 1806 O GLN A 113 -11.899 -0.860 -9.248 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.379 0.093 -6.728 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.054 0.086 -5.243 1.00 0.00 C ATOM 1809 CD GLN A 113 -9.694 1.461 -4.717 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -8.517 1.807 -4.607 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -10.708 2.254 -4.390 1.00 0.00 N ATOM 0 H GLN A 113 -8.531 -1.556 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.380 -1.798 -6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.590 0.623 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.302 0.650 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.911 -0.297 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.225 -0.597 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.668 1.925 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.527 3.192 -4.031 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.783 -1.531 -9.633 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.923 -1.488 -11.077 1.00 0.00 C ATOM 1822 C GLU A 114 -10.750 -2.670 -11.564 1.00 0.00 C ATOM 1823 O GLU A 114 -11.339 -2.623 -12.645 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.547 -1.497 -11.747 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.387 -0.433 -12.822 1.00 0.00 C ATOM 1826 CD GLU A 114 -6.934 -0.092 -13.091 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -6.085 -0.379 -12.222 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -6.646 0.464 -14.173 1.00 0.00 O ATOM 0 H GLU A 114 -8.862 -1.823 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.437 -0.565 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.780 -1.351 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.374 -2.478 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.852 -0.781 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.918 0.469 -12.518 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.795 -3.735 -10.762 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.556 -4.917 -11.129 1.00 0.00 C ATOM 1837 C TYR A 115 -13.034 -4.742 -10.783 1.00 0.00 C ATOM 1838 O TYR A 115 -13.799 -4.217 -11.591 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.972 -6.156 -10.445 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.653 -6.596 -11.037 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -8.593 -5.707 -11.148 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -9.470 -7.895 -11.491 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -7.387 -6.098 -11.694 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -8.266 -8.295 -12.039 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.228 -7.394 -12.139 1.00 0.00 C ATOM 1846 OH TYR A 115 -6.029 -7.785 -12.685 1.00 0.00 O ATOM 0 H TYR A 115 -10.316 -3.798 -9.864 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.484 -5.055 -12.208 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.835 -5.947 -9.384 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.687 -6.975 -10.519 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.714 -4.691 -10.801 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -10.281 -8.604 -11.415 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.572 -5.393 -11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.139 -9.309 -12.387 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.495 -6.993 -12.904 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.430 -5.172 -9.581 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.820 -5.053 -9.132 1.00 0.00 C ATOM 1858 C GLU A 116 -15.079 -5.943 -7.916 1.00 0.00 C ATOM 1859 O GLU A 116 -15.954 -5.652 -7.101 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.797 -5.426 -10.260 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.239 -5.586 -9.799 1.00 0.00 C ATOM 1862 CD GLU A 116 -18.221 -5.589 -10.954 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -19.025 -4.637 -11.052 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -18.188 -6.542 -11.760 1.00 0.00 O ATOM 0 H GLU A 116 -12.806 -5.606 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.985 -4.013 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.756 -4.658 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.467 -6.358 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.337 -6.517 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.490 -4.776 -9.115 1.00 0.00 H new ATOM 1871 N SER A 117 -14.325 -7.033 -7.808 1.00 0.00 N ATOM 1872 CA SER A 117 -14.488 -7.964 -6.696 1.00 0.00 C ATOM 1873 C SER A 117 -13.479 -7.699 -5.587 1.00 0.00 C ATOM 1874 O SER A 117 -13.754 -6.926 -4.669 1.00 0.00 O ATOM 1875 CB SER A 117 -14.376 -9.408 -7.194 1.00 0.00 C ATOM 1876 OG SER A 117 -13.678 -9.473 -8.426 1.00 0.00 O ATOM 0 H SER A 117 -13.598 -7.293 -8.474 1.00 0.00 H new ATOM 0 HA SER A 117 -15.482 -7.811 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.860 -10.013 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.373 -9.832 -7.315 1.00 0.00 H new ATOM 0 HG SER A 117 -13.620 -10.406 -8.720 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.317 -8.350 -5.663 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.274 -8.196 -4.648 1.00 0.00 C ATOM 1884 C ASN A 118 -11.881 -8.096 -3.252 1.00 0.00 C ATOM 1885 O ASN A 118 -11.373 -7.381 -2.390 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.408 -6.962 -4.938 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.194 -5.817 -5.548 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.707 -5.924 -6.661 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.289 -4.712 -4.818 1.00 0.00 N ATOM 0 H ASN A 118 -12.074 -8.990 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.640 -9.082 -4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.944 -6.624 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.601 -7.242 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.804 -3.907 -5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -10.847 -4.668 -3.900 1.00 0.00 H new ATOM 1896 N ALA A 119 -12.996 -8.798 -3.049 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.700 -8.767 -1.770 1.00 0.00 C ATOM 1898 C ALA A 119 -13.683 -10.110 -1.041 1.00 0.00 C ATOM 1899 O ALA A 119 -14.646 -10.451 -0.353 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.133 -8.320 -1.998 1.00 0.00 C ATOM 0 H ALA A 119 -13.430 -9.394 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.174 -8.060 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.662 -8.295 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.137 -7.324 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.629 -9.019 -2.671 1.00 0.00 H new ATOM 1906 N THR A 120 -12.596 -10.869 -1.164 1.00 0.00 N ATOM 1907 CA THR A 120 -12.504 -12.153 -0.477 1.00 0.00 C ATOM 1908 C THR A 120 -11.063 -12.446 -0.079 1.00 0.00 C ATOM 1909 O THR A 120 -10.125 -11.968 -0.716 1.00 0.00 O ATOM 1910 CB THR A 120 -13.074 -13.291 -1.344 1.00 0.00 C ATOM 1911 OG1 THR A 120 -12.047 -14.145 -1.815 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.858 -12.810 -2.549 1.00 0.00 C ATOM 0 H THR A 120 -11.780 -10.622 -1.723 1.00 0.00 H new ATOM 0 HA THR A 120 -13.106 -12.093 0.430 1.00 0.00 H new ATOM 0 HB THR A 120 -13.754 -13.824 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.446 -14.942 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.227 -13.669 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.701 -12.204 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.210 -12.210 -3.189 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.887 -13.231 0.979 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.550 -13.576 1.460 1.00 0.00 C ATOM 1922 C ASN A 121 -8.845 -14.544 0.520 1.00 0.00 C ATOM 1923 O ASN A 121 -7.994 -15.326 0.943 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.613 -14.167 2.875 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.808 -15.076 3.085 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -11.598 -14.876 4.008 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -10.948 -16.081 2.231 1.00 0.00 N ATOM 0 H ASN A 121 -11.649 -13.640 1.519 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.971 -12.653 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.699 -14.727 3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.650 -13.355 3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -11.734 -16.725 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.270 -16.210 1.480 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.189 -14.476 -0.757 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.582 -15.330 -1.758 1.00 0.00 C ATOM 1936 C GLU A 122 -9.035 -14.893 -3.139 1.00 0.00 C ATOM 1937 O GLU A 122 -9.126 -15.703 -4.062 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.952 -16.795 -1.515 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.806 -17.762 -1.763 1.00 0.00 C ATOM 1940 CD GLU A 122 -7.639 -18.769 -0.642 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -8.147 -19.903 -0.783 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -6.999 -18.426 0.373 1.00 0.00 O ATOM 0 H GLU A 122 -9.891 -13.832 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.498 -15.240 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.296 -16.908 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.788 -17.062 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.979 -18.292 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.880 -17.199 -1.882 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.333 -13.602 -3.273 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.789 -13.062 -4.531 1.00 0.00 C ATOM 1951 C LEU A 123 -9.058 -11.765 -4.823 1.00 0.00 C ATOM 1952 O LEU A 123 -8.500 -11.581 -5.901 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.292 -12.841 -4.469 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.957 -12.566 -5.803 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.462 -12.624 -5.644 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.513 -11.215 -6.324 1.00 0.00 C ATOM 0 H LEU A 123 -9.263 -12.918 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.575 -13.763 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.755 -13.722 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.493 -12.004 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.661 -13.325 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.937 -12.426 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.753 -13.614 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.781 -11.874 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.992 -11.019 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.796 -10.440 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.431 -11.212 -6.452 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.034 -10.877 -3.836 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.329 -9.617 -3.980 1.00 0.00 C ATOM 1970 C LEU A 124 -6.885 -9.912 -4.349 1.00 0.00 C ATOM 1971 O LEU A 124 -6.321 -9.306 -5.261 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.426 -8.805 -2.685 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.119 -8.606 -1.914 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.008 -7.175 -1.436 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.038 -9.577 -0.750 1.00 0.00 C ATOM 0 H LEU A 124 -9.493 -11.008 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.781 -9.018 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.835 -7.824 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.142 -9.296 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.281 -8.809 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.074 -7.046 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.022 -6.503 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.848 -6.944 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.103 -9.423 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.877 -9.407 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.076 -10.599 -1.126 1.00 0.00 H new ATOM 1987 N SER A 125 -6.300 -10.881 -3.642 1.00 0.00 N ATOM 1988 CA SER A 125 -4.929 -11.299 -3.903 1.00 0.00 C ATOM 1989 C SER A 125 -4.719 -11.517 -5.398 1.00 0.00 C ATOM 1990 O SER A 125 -3.619 -11.326 -5.924 1.00 0.00 O ATOM 1991 CB SER A 125 -4.625 -12.593 -3.146 1.00 0.00 C ATOM 1992 OG SER A 125 -5.506 -13.632 -3.539 1.00 0.00 O ATOM 0 H SER A 125 -6.758 -11.389 -2.885 1.00 0.00 H new ATOM 0 HA SER A 125 -4.254 -10.515 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.595 -12.895 -3.334 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.716 -12.421 -2.074 1.00 0.00 H new ATOM 0 HG SER A 125 -5.290 -14.449 -3.042 1.00 0.00 H new ATOM 1998 N SER A 126 -5.792 -11.915 -6.075 1.00 0.00 N ATOM 1999 CA SER A 126 -5.750 -12.163 -7.505 1.00 0.00 C ATOM 2000 C SER A 126 -5.375 -10.913 -8.267 1.00 0.00 C ATOM 2001 O SER A 126 -4.371 -10.878 -8.980 1.00 0.00 O ATOM 2002 CB SER A 126 -7.113 -12.647 -7.979 1.00 0.00 C ATOM 2003 OG SER A 126 -6.992 -13.595 -9.026 1.00 0.00 O ATOM 0 H SER A 126 -6.705 -12.072 -5.649 1.00 0.00 H new ATOM 0 HA SER A 126 -4.993 -12.924 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.653 -13.093 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.703 -11.797 -8.322 1.00 0.00 H new ATOM 0 HG SER A 126 -7.884 -13.888 -9.307 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.190 -9.885 -8.115 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.946 -8.628 -8.791 1.00 0.00 C ATOM 2011 C HIS A 127 -4.549 -8.134 -8.460 1.00 0.00 C ATOM 2012 O HIS A 127 -3.852 -7.601 -9.313 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.001 -7.592 -8.401 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.404 -8.116 -8.447 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.489 -7.401 -7.987 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.897 -9.289 -8.907 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.589 -8.111 -8.163 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.257 -9.261 -8.721 1.00 0.00 N ATOM 0 H HIS A 127 -7.025 -9.898 -7.530 1.00 0.00 H new ATOM 0 HA HIS A 127 -6.017 -8.782 -9.868 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.790 -7.232 -7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.920 -6.735 -9.069 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.327 -10.097 -9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.589 -7.803 -7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.905 -10.007 -8.973 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.135 -8.336 -7.217 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.805 -7.925 -6.798 1.00 0.00 C ATOM 2029 C VAL A 128 -1.752 -8.468 -7.754 1.00 0.00 C ATOM 2030 O VAL A 128 -0.902 -7.723 -8.243 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.488 -8.403 -5.370 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.134 -7.871 -4.908 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.595 -7.981 -4.415 1.00 0.00 C ATOM 0 H VAL A 128 -4.696 -8.778 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.785 -6.835 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.434 -9.492 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.931 -8.222 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.354 -8.230 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.149 -6.781 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.358 -8.326 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.682 -6.894 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.539 -8.420 -4.736 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.817 -9.770 -8.028 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.858 -10.375 -8.936 1.00 0.00 C ATOM 2045 C GLY A 129 -1.065 -9.945 -10.376 1.00 0.00 C ATOM 2046 O GLY A 129 -0.118 -9.549 -11.057 1.00 0.00 O ATOM 0 H GLY A 129 -2.510 -10.411 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.151 -10.108 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.936 -11.460 -8.870 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.307 -10.023 -10.841 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.641 -9.641 -12.209 1.00 0.00 C ATOM 2052 C GLN A 130 -2.439 -8.144 -12.430 1.00 0.00 C ATOM 2053 O GLN A 130 -2.293 -7.689 -13.565 1.00 0.00 O ATOM 2054 CB GLN A 130 -4.086 -10.029 -12.528 1.00 0.00 C ATOM 2055 CG GLN A 130 -4.454 -9.858 -13.991 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.465 -11.171 -14.749 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -5.445 -11.511 -15.413 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -3.370 -11.917 -14.655 1.00 0.00 N ATOM 0 H GLN A 130 -3.101 -10.348 -10.290 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.970 -10.176 -12.881 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.246 -11.068 -12.241 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.758 -9.424 -11.920 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -5.438 -9.394 -14.062 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -3.745 -9.177 -14.462 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.581 -11.596 -14.094 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -3.318 -12.810 -15.144 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.403 -7.383 -11.340 1.00 0.00 N ATOM 2068 CA ILE A 131 -2.188 -5.945 -11.414 1.00 0.00 C ATOM 2069 C ILE A 131 -0.694 -5.662 -11.321 1.00 0.00 C ATOM 2070 O ILE A 131 -0.192 -4.673 -11.853 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.959 -5.208 -10.302 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.456 -5.374 -10.526 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.616 -3.725 -10.255 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.269 -5.082 -9.297 1.00 0.00 C ATOM 0 H ILE A 131 -2.521 -7.742 -10.392 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.568 -5.575 -12.366 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.666 -5.648 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.773 -4.711 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.658 -6.393 -10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.182 -3.246 -9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.549 -3.604 -10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.870 -3.262 -11.209 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.327 -5.218 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.977 -5.762 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -5.094 -4.054 -8.981 1.00 0.00 H new ATOM 2086 N LEU A 132 0.006 -6.578 -10.652 1.00 0.00 N ATOM 2087 CA LEU A 132 1.446 -6.490 -10.487 1.00 0.00 C ATOM 2088 C LEU A 132 2.135 -6.572 -11.844 1.00 0.00 C ATOM 2089 O LEU A 132 3.034 -5.789 -12.148 1.00 0.00 O ATOM 2090 CB LEU A 132 1.938 -7.630 -9.592 1.00 0.00 C ATOM 2091 CG LEU A 132 2.087 -7.275 -8.116 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.623 -8.423 -7.233 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.527 -6.911 -7.808 1.00 0.00 C ATOM 0 H LEU A 132 -0.413 -7.397 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 132 1.688 -5.535 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.244 -8.466 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.902 -7.975 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 132 1.456 -6.412 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.739 -8.146 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.574 -8.638 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.223 -9.309 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.621 -6.660 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.174 -7.758 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.823 -6.054 -8.413 1.00 0.00 H new ATOM 2105 N ASP A 133 1.701 -7.532 -12.657 1.00 0.00 N ATOM 2106 CA ASP A 133 2.271 -7.720 -13.988 1.00 0.00 C ATOM 2107 C ASP A 133 2.122 -6.453 -14.823 1.00 0.00 C ATOM 2108 O ASP A 133 3.028 -6.075 -15.565 1.00 0.00 O ATOM 2109 CB ASP A 133 1.595 -8.897 -14.695 1.00 0.00 C ATOM 2110 CG ASP A 133 2.584 -9.765 -15.447 1.00 0.00 C ATOM 2111 OD1 ASP A 133 2.424 -9.918 -16.676 1.00 0.00 O ATOM 2112 OD2 ASP A 133 3.520 -10.292 -14.808 1.00 0.00 O ATOM 0 H ASP A 133 0.959 -8.190 -12.418 1.00 0.00 H new ATOM 0 HA ASP A 133 3.333 -7.938 -13.876 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.068 -9.505 -13.960 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.846 -8.518 -15.391 1.00 0.00 H new ATOM 2117 N SER A 134 0.974 -5.801 -14.686 1.00 0.00 N ATOM 2118 CA SER A 134 0.701 -4.570 -15.416 1.00 0.00 C ATOM 2119 C SER A 134 1.275 -3.357 -14.682 1.00 0.00 C ATOM 2120 O SER A 134 1.131 -2.222 -15.132 1.00 0.00 O ATOM 2121 CB SER A 134 -0.807 -4.397 -15.615 1.00 0.00 C ATOM 2122 OG SER A 134 -1.159 -4.520 -16.983 1.00 0.00 O ATOM 0 H SER A 134 0.216 -6.105 -14.075 1.00 0.00 H new ATOM 0 HA SER A 134 1.185 -4.640 -16.390 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.342 -5.145 -15.030 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.116 -3.420 -15.243 1.00 0.00 H new ATOM 0 HG SER A 134 -2.127 -4.407 -17.083 1.00 0.00 H new ATOM 2128 N PHE A 135 1.925 -3.607 -13.547 1.00 0.00 N ATOM 2129 CA PHE A 135 2.516 -2.541 -12.749 1.00 0.00 C ATOM 2130 C PHE A 135 3.662 -1.872 -13.501 1.00 0.00 C ATOM 2131 O PHE A 135 3.702 -0.648 -13.631 1.00 0.00 O ATOM 2132 CB PHE A 135 3.025 -3.099 -11.419 1.00 0.00 C ATOM 2133 CG PHE A 135 3.534 -2.044 -10.481 1.00 0.00 C ATOM 2134 CD1 PHE A 135 2.807 -0.884 -10.264 1.00 0.00 C ATOM 2135 CD2 PHE A 135 4.737 -2.211 -9.816 1.00 0.00 C ATOM 2136 CE1 PHE A 135 3.273 0.088 -9.400 1.00 0.00 C ATOM 2137 CE2 PHE A 135 5.208 -1.242 -8.952 1.00 0.00 C ATOM 2138 CZ PHE A 135 4.475 -0.091 -8.744 1.00 0.00 C ATOM 0 H PHE A 135 2.055 -4.542 -13.161 1.00 0.00 H new ATOM 0 HA PHE A 135 1.746 -1.794 -12.555 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.219 -3.648 -10.932 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.824 -3.814 -11.616 1.00 0.00 H new ATOM 0 HD1 PHE A 135 1.867 -0.739 -10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.314 -3.110 -9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 135 2.698 0.987 -9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.148 -1.385 -8.440 1.00 0.00 H new ATOM 0 HZ PHE A 135 4.841 0.669 -8.069 1.00 0.00 H new