USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 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 25 THR OG1 : rot -65:sc= 1.71 USER MOD Set 1.2: A 37 THR OG1 : rot 32:sc= 1.08 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.3 USER MOD Single : A 17 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= 0.281 K(o=0.28,f=-5!) USER MOD Single : A 20 ASN : amide:sc= -5.23! C(o=-5.2!,f=-4.7!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 130:sc= -1.2 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 37:sc= -0.206! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -9.26! C(o=-9.3!,f=-11!) USER MOD Single : A 53 GLN : amide:sc= -3.07! C(o=-3.1!,f=-6.3!) USER MOD Single : A 59 THR OG1 : rot -3:sc= -0.766! USER MOD Single : A 61 ASN : amide:sc=-0.00925 X(o=-0.0092,f=-0.1) USER MOD Single : A 67 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-9.2!) USER MOD Single : A 68 SER OG : rot 173:sc= -0.023 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 75 SER OG : rot -50:sc= 0.269 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -61:sc= -4.95! USER MOD Single : A 84 HIS : no HD1:sc= -15.5! C(o=-15!,f=-15!) USER MOD Single : A 89 SER OG : rot -23:sc= 0.209 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -170:sc= -0.183 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.229 -2.577 -23.611 1.00 0.00 N ATOM 96 CA VAL A 8 12.247 -3.312 -22.357 1.00 0.00 C ATOM 97 C VAL A 8 11.852 -4.766 -22.619 1.00 0.00 C ATOM 98 O VAL A 8 12.644 -5.679 -22.393 1.00 0.00 O ATOM 99 CB VAL A 8 11.345 -2.621 -21.333 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.293 -1.752 -22.026 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.686 -3.643 -20.405 1.00 0.00 C ATOM 0 HA VAL A 8 13.251 -3.320 -21.932 1.00 0.00 H new ATOM 0 HB VAL A 8 11.970 -1.968 -20.723 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.665 -1.272 -21.275 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.789 -0.989 -22.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.674 -2.375 -22.672 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.050 -3.125 -19.687 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.081 -4.333 -20.994 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.456 -4.200 -19.872 1.00 0.00 H new ATOM 111 N LYS A 9 10.625 -4.937 -23.089 1.00 0.00 N ATOM 112 CA LYS A 9 10.114 -6.265 -23.383 1.00 0.00 C ATOM 113 C LYS A 9 9.687 -6.943 -22.080 1.00 0.00 C ATOM 114 O LYS A 9 8.544 -7.378 -21.947 1.00 0.00 O ATOM 115 CB LYS A 9 11.140 -7.067 -24.187 1.00 0.00 C ATOM 116 CG LYS A 9 10.502 -7.673 -25.439 1.00 0.00 C ATOM 117 CD LYS A 9 11.533 -8.460 -26.251 1.00 0.00 C ATOM 118 CE LYS A 9 11.106 -8.573 -27.716 1.00 0.00 C ATOM 119 NZ LYS A 9 10.671 -9.953 -28.025 1.00 0.00 N ATOM 0 H LYS A 9 9.970 -4.178 -23.274 1.00 0.00 H new ATOM 0 HA LYS A 9 9.228 -6.201 -24.014 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.969 -6.420 -24.474 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.555 -7.860 -23.565 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.681 -8.330 -25.152 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.076 -6.881 -26.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.503 -7.968 -26.188 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.653 -9.456 -25.825 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.293 -7.875 -27.919 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.936 -8.293 -28.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.385 -10.011 -29.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.457 -10.612 -27.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.865 -10.207 -27.418 1.00 0.00 H new ATOM 133 N TYR A 10 10.628 -7.011 -21.149 1.00 0.00 N ATOM 134 CA TYR A 10 10.362 -7.628 -19.862 1.00 0.00 C ATOM 135 C TYR A 10 10.947 -6.790 -18.721 1.00 0.00 C ATOM 136 O TYR A 10 12.163 -6.641 -18.615 1.00 0.00 O ATOM 137 CB TYR A 10 11.068 -8.986 -19.891 1.00 0.00 C ATOM 138 CG TYR A 10 12.107 -9.124 -21.006 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.270 -8.383 -20.959 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.880 -9.988 -22.057 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.248 -8.513 -22.008 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.859 -10.117 -23.105 1.00 0.00 C ATOM 143 CZ TYR A 10 13.995 -9.372 -23.030 1.00 0.00 C ATOM 144 OH TYR A 10 14.919 -9.496 -24.019 1.00 0.00 O ATOM 0 H TYR A 10 11.575 -6.649 -21.261 1.00 0.00 H new ATOM 0 HA TYR A 10 9.289 -7.717 -19.694 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.557 -9.150 -18.931 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.320 -9.770 -20.006 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.447 -7.706 -20.136 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.969 -10.567 -22.094 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.163 -7.940 -21.983 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.695 -10.791 -23.933 1.00 0.00 H new ATOM 0 HH TYR A 10 14.604 -10.146 -24.681 1.00 0.00 H new ATOM 154 N TYR A 11 10.052 -6.265 -17.898 1.00 0.00 N ATOM 155 CA TYR A 11 10.463 -5.446 -16.769 1.00 0.00 C ATOM 156 C TYR A 11 9.956 -6.034 -15.451 1.00 0.00 C ATOM 157 O TYR A 11 9.090 -6.907 -15.449 1.00 0.00 O ATOM 158 CB TYR A 11 9.817 -4.077 -16.984 1.00 0.00 C ATOM 159 CG TYR A 11 10.813 -2.965 -17.320 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.008 -3.271 -17.939 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.516 -1.655 -17.002 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.944 -2.224 -18.253 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.453 -0.607 -17.316 1.00 0.00 C ATOM 164 CZ TYR A 11 12.621 -0.943 -17.927 1.00 0.00 C ATOM 165 OH TYR A 11 13.507 0.045 -18.225 1.00 0.00 O ATOM 0 H TYR A 11 9.044 -6.390 -17.990 1.00 0.00 H new ATOM 0 HA TYR A 11 11.550 -5.391 -16.711 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.088 -4.153 -17.790 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.269 -3.800 -16.084 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.241 -4.296 -18.188 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.581 -1.416 -16.518 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.883 -2.450 -18.737 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.233 0.422 -17.072 1.00 0.00 H new ATOM 0 HH TYR A 11 13.144 0.908 -17.936 1.00 0.00 H new ATOM 175 N THR A 12 10.519 -5.533 -14.362 1.00 0.00 N ATOM 176 CA THR A 12 10.134 -5.997 -13.040 1.00 0.00 C ATOM 177 C THR A 12 9.307 -4.932 -12.319 1.00 0.00 C ATOM 178 O THR A 12 9.512 -3.736 -12.526 1.00 0.00 O ATOM 179 CB THR A 12 11.408 -6.389 -12.287 1.00 0.00 C ATOM 180 OG1 THR A 12 12.058 -5.147 -12.035 1.00 0.00 O ATOM 181 CG2 THR A 12 12.397 -7.155 -13.169 1.00 0.00 C ATOM 0 H THR A 12 11.239 -4.810 -14.368 1.00 0.00 H new ATOM 0 HA THR A 12 9.491 -6.875 -13.102 1.00 0.00 H new ATOM 0 HB THR A 12 11.146 -6.998 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.893 -5.308 -11.548 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.283 -7.409 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.928 -8.069 -13.533 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.686 -6.533 -14.016 1.00 0.00 H new ATOM 189 N LEU A 13 8.388 -5.403 -11.489 1.00 0.00 N ATOM 190 CA LEU A 13 7.528 -4.505 -10.736 1.00 0.00 C ATOM 191 C LEU A 13 8.376 -3.386 -10.126 1.00 0.00 C ATOM 192 O LEU A 13 7.937 -2.239 -10.055 1.00 0.00 O ATOM 193 CB LEU A 13 6.708 -5.285 -9.707 1.00 0.00 C ATOM 194 CG LEU A 13 5.329 -5.760 -10.170 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.528 -6.339 -9.001 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.572 -4.638 -10.883 1.00 0.00 C ATOM 0 H LEU A 13 8.220 -6.395 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 13 6.801 -4.032 -11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.285 -6.156 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.577 -4.658 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 13 5.470 -6.563 -10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.552 -6.669 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.065 -7.187 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.395 -5.574 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.596 -5.003 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.441 -3.797 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.140 -4.313 -11.755 1.00 0.00 H new ATOM 208 N GLU A 14 9.574 -3.759 -9.703 1.00 0.00 N ATOM 209 CA GLU A 14 10.488 -2.801 -9.102 1.00 0.00 C ATOM 210 C GLU A 14 10.883 -1.732 -10.123 1.00 0.00 C ATOM 211 O GLU A 14 10.837 -0.539 -9.827 1.00 0.00 O ATOM 212 CB GLU A 14 11.723 -3.502 -8.535 1.00 0.00 C ATOM 213 CG GLU A 14 11.805 -3.330 -7.018 1.00 0.00 C ATOM 214 CD GLU A 14 11.202 -4.538 -6.296 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.954 -5.516 -6.102 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.002 -4.454 -5.954 1.00 0.00 O ATOM 0 H GLU A 14 9.934 -4.711 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 14 9.977 -2.312 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.689 -4.563 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.621 -3.095 -8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.845 -3.205 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.277 -2.424 -6.722 1.00 0.00 H new ATOM 223 N GLU A 15 11.263 -2.199 -11.303 1.00 0.00 N ATOM 224 CA GLU A 15 11.666 -1.297 -12.370 1.00 0.00 C ATOM 225 C GLU A 15 10.550 -0.294 -12.667 1.00 0.00 C ATOM 226 O GLU A 15 10.819 0.876 -12.939 1.00 0.00 O ATOM 227 CB GLU A 15 12.054 -2.077 -13.628 1.00 0.00 C ATOM 228 CG GLU A 15 13.183 -3.065 -13.336 1.00 0.00 C ATOM 229 CD GLU A 15 14.517 -2.552 -13.883 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.516 -2.107 -15.051 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.506 -2.616 -13.120 1.00 0.00 O ATOM 0 H GLU A 15 11.301 -3.189 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 15 12.545 -0.743 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.186 -2.614 -14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.367 -1.383 -14.408 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.264 -3.223 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.950 -4.031 -13.783 1.00 0.00 H new ATOM 238 N ILE A 16 9.322 -0.788 -12.605 1.00 0.00 N ATOM 239 CA ILE A 16 8.164 0.051 -12.863 1.00 0.00 C ATOM 240 C ILE A 16 7.886 0.923 -11.637 1.00 0.00 C ATOM 241 O ILE A 16 7.381 2.037 -11.765 1.00 0.00 O ATOM 242 CB ILE A 16 6.971 -0.802 -13.296 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.400 -1.886 -14.287 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.844 0.072 -13.854 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.833 -3.249 -13.888 1.00 0.00 C ATOM 0 H ILE A 16 9.104 -1.759 -12.380 1.00 0.00 H new ATOM 0 HA ILE A 16 8.361 0.727 -13.695 1.00 0.00 H new ATOM 0 HB ILE A 16 6.579 -1.310 -12.415 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.057 -1.625 -15.288 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.488 -1.938 -14.326 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.008 -0.560 -14.154 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.512 0.772 -13.087 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.208 0.627 -14.719 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.153 -4.001 -14.609 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.197 -3.518 -12.897 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.744 -3.200 -13.874 1.00 0.00 H new ATOM 257 N GLN A 17 8.229 0.383 -10.477 1.00 0.00 N ATOM 258 CA GLN A 17 8.022 1.096 -9.230 1.00 0.00 C ATOM 259 C GLN A 17 8.872 2.367 -9.198 1.00 0.00 C ATOM 260 O GLN A 17 8.432 3.401 -8.694 1.00 0.00 O ATOM 261 CB GLN A 17 8.331 0.201 -8.028 1.00 0.00 C ATOM 262 CG GLN A 17 7.366 0.479 -6.873 1.00 0.00 C ATOM 263 CD GLN A 17 8.059 1.260 -5.755 1.00 0.00 C ATOM 264 OE1 GLN A 17 9.147 1.789 -5.914 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.373 1.298 -4.617 1.00 0.00 N ATOM 0 H GLN A 17 8.649 -0.541 -10.375 1.00 0.00 H new ATOM 0 HA GLN A 17 6.972 1.382 -9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.259 -0.846 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.356 0.370 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.509 1.044 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.983 -0.463 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.467 0.834 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.752 1.792 -3.809 1.00 0.00 H new ATOM 274 N LYS A 18 10.073 2.252 -9.745 1.00 0.00 N ATOM 275 CA LYS A 18 10.989 3.380 -9.787 1.00 0.00 C ATOM 276 C LYS A 18 10.428 4.452 -10.722 1.00 0.00 C ATOM 277 O LYS A 18 10.670 5.642 -10.526 1.00 0.00 O ATOM 278 CB LYS A 18 12.397 2.913 -10.158 1.00 0.00 C ATOM 279 CG LYS A 18 12.909 1.870 -9.165 1.00 0.00 C ATOM 280 CD LYS A 18 14.363 1.494 -9.463 1.00 0.00 C ATOM 281 CE LYS A 18 15.304 2.057 -8.398 1.00 0.00 C ATOM 282 NZ LYS A 18 16.713 1.934 -8.834 1.00 0.00 N ATOM 0 H LYS A 18 10.434 1.394 -10.163 1.00 0.00 H new ATOM 0 HA LYS A 18 11.080 3.835 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.391 2.491 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.074 3.767 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.832 2.260 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.282 0.979 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.461 0.409 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.648 1.876 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.065 3.104 -8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.160 1.524 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.339 2.321 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.942 0.932 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.850 2.463 -9.719 1.00 0.00 H new ATOM 296 N HIS A 19 9.689 3.992 -11.722 1.00 0.00 N ATOM 297 CA HIS A 19 9.092 4.897 -12.690 1.00 0.00 C ATOM 298 C HIS A 19 7.717 5.347 -12.191 1.00 0.00 C ATOM 299 O HIS A 19 6.704 4.724 -12.505 1.00 0.00 O ATOM 300 CB HIS A 19 9.038 4.251 -14.076 1.00 0.00 C ATOM 301 CG HIS A 19 10.342 4.316 -14.835 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.407 4.601 -16.188 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.626 4.133 -14.417 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.679 4.587 -16.557 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.433 4.294 -15.459 1.00 0.00 N ATOM 0 H HIS A 19 9.490 3.004 -11.882 1.00 0.00 H new ATOM 0 HA HIS A 19 9.712 5.787 -12.792 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.744 3.207 -13.968 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.262 4.741 -14.664 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.611 4.790 -16.797 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.935 3.897 -13.409 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.053 4.775 -17.553 1.00 0.00 H new ATOM 314 N ASN A 20 7.727 6.425 -11.421 1.00 0.00 N ATOM 315 CA ASN A 20 6.493 6.966 -10.876 1.00 0.00 C ATOM 316 C ASN A 20 6.494 8.488 -11.037 1.00 0.00 C ATOM 317 O ASN A 20 5.766 9.190 -10.336 1.00 0.00 O ATOM 318 CB ASN A 20 6.365 6.648 -9.385 1.00 0.00 C ATOM 319 CG ASN A 20 4.961 6.138 -9.052 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.984 6.871 -9.073 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.915 4.845 -8.744 1.00 0.00 N ATOM 0 H ASN A 20 8.569 6.938 -11.162 1.00 0.00 H new ATOM 0 HA ASN A 20 5.659 6.515 -11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.104 5.898 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.580 7.542 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.024 4.409 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.771 4.290 -8.746 1.00 0.00 H new ATOM 328 N ASN A 21 7.319 8.953 -11.963 1.00 0.00 N ATOM 329 CA ASN A 21 7.424 10.379 -12.224 1.00 0.00 C ATOM 330 C ASN A 21 6.734 10.700 -13.553 1.00 0.00 C ATOM 331 O ASN A 21 6.594 9.830 -14.410 1.00 0.00 O ATOM 332 CB ASN A 21 8.888 10.812 -12.335 1.00 0.00 C ATOM 333 CG ASN A 21 9.426 11.274 -10.980 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.396 12.445 -10.637 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.918 10.293 -10.230 1.00 0.00 N ATOM 0 H ASN A 21 7.921 8.368 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 21 6.953 10.910 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.490 9.982 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.978 11.620 -13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.301 10.499 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.913 9.334 -10.577 1.00 0.00 H new ATOM 342 N SER A 22 6.322 11.953 -13.679 1.00 0.00 N ATOM 343 CA SER A 22 5.650 12.402 -14.886 1.00 0.00 C ATOM 344 C SER A 22 6.572 12.224 -16.095 1.00 0.00 C ATOM 345 O SER A 22 6.124 12.297 -17.237 1.00 0.00 O ATOM 346 CB SER A 22 5.212 13.863 -14.763 1.00 0.00 C ATOM 347 OG SER A 22 6.272 14.765 -15.067 1.00 0.00 O ATOM 0 H SER A 22 6.441 12.671 -12.965 1.00 0.00 H new ATOM 0 HA SER A 22 4.756 11.794 -15.026 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.374 14.048 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.855 14.051 -13.750 1.00 0.00 H new ATOM 0 HG SER A 22 5.952 15.687 -14.979 1.00 0.00 H new ATOM 353 N LYS A 23 7.843 11.993 -15.800 1.00 0.00 N ATOM 354 CA LYS A 23 8.831 11.805 -16.848 1.00 0.00 C ATOM 355 C LYS A 23 9.158 10.315 -16.974 1.00 0.00 C ATOM 356 O LYS A 23 9.750 9.885 -17.963 1.00 0.00 O ATOM 357 CB LYS A 23 10.057 12.683 -16.593 1.00 0.00 C ATOM 358 CG LYS A 23 10.265 13.678 -17.736 1.00 0.00 C ATOM 359 CD LYS A 23 11.573 14.453 -17.557 1.00 0.00 C ATOM 360 CE LYS A 23 11.568 15.738 -18.388 1.00 0.00 C ATOM 361 NZ LYS A 23 12.919 16.013 -18.928 1.00 0.00 N ATOM 0 H LYS A 23 8.211 11.932 -14.851 1.00 0.00 H new ATOM 0 HA LYS A 23 8.431 12.127 -17.810 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.933 13.223 -15.654 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.942 12.056 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.280 13.146 -18.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.427 14.375 -17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.714 14.697 -16.504 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.414 13.827 -17.854 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.855 15.645 -19.207 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.239 16.575 -17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.897 16.888 -19.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.591 16.122 -18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.219 15.222 -19.533 1.00 0.00 H new ATOM 375 N SER A 24 8.757 9.566 -15.955 1.00 0.00 N ATOM 376 CA SER A 24 8.999 8.134 -15.938 1.00 0.00 C ATOM 377 C SER A 24 7.796 7.406 -15.338 1.00 0.00 C ATOM 378 O SER A 24 7.918 6.735 -14.315 1.00 0.00 O ATOM 379 CB SER A 24 10.269 7.800 -15.152 1.00 0.00 C ATOM 380 OG SER A 24 10.591 8.812 -14.202 1.00 0.00 O ATOM 0 H SER A 24 8.266 9.925 -15.136 1.00 0.00 H new ATOM 0 HA SER A 24 9.141 7.799 -16.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.137 6.848 -14.637 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.101 7.675 -15.844 1.00 0.00 H new ATOM 0 HG SER A 24 10.751 8.400 -13.327 1.00 0.00 H new ATOM 386 N THR A 25 6.659 7.565 -16.000 1.00 0.00 N ATOM 387 CA THR A 25 5.434 6.931 -15.545 1.00 0.00 C ATOM 388 C THR A 25 5.258 5.565 -16.213 1.00 0.00 C ATOM 389 O THR A 25 4.833 5.485 -17.365 1.00 0.00 O ATOM 390 CB THR A 25 4.275 7.892 -15.815 1.00 0.00 C ATOM 391 OG1 THR A 25 4.903 9.167 -15.939 1.00 0.00 O ATOM 392 CG2 THR A 25 3.351 8.051 -14.606 1.00 0.00 C ATOM 0 H THR A 25 6.561 8.124 -16.848 1.00 0.00 H new ATOM 0 HA THR A 25 5.468 6.732 -14.474 1.00 0.00 H new ATOM 0 HB THR A 25 3.699 7.534 -16.668 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.305 9.418 -15.081 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.546 8.743 -14.852 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.928 7.082 -14.341 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.920 8.441 -13.762 1.00 0.00 H new ATOM 400 N TRP A 26 5.594 4.528 -15.463 1.00 0.00 N ATOM 401 CA TRP A 26 5.479 3.169 -15.969 1.00 0.00 C ATOM 402 C TRP A 26 4.451 2.431 -15.110 1.00 0.00 C ATOM 403 O TRP A 26 4.348 2.677 -13.910 1.00 0.00 O ATOM 404 CB TRP A 26 6.844 2.477 -15.995 1.00 0.00 C ATOM 405 CG TRP A 26 7.493 2.434 -17.381 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.821 1.355 -18.105 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.878 3.568 -18.186 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.390 1.708 -19.310 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.426 3.096 -19.362 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.769 4.945 -17.928 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.907 3.936 -20.373 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.255 5.771 -18.948 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.808 5.313 -20.139 1.00 0.00 C ATOM 0 H TRP A 26 5.946 4.599 -14.508 1.00 0.00 H new ATOM 0 HA TRP A 26 5.133 3.169 -17.003 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.514 2.992 -15.307 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.730 1.458 -15.626 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.660 0.336 -17.785 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.723 1.068 -20.031 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.344 5.335 -17.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.332 3.543 -21.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.196 6.839 -18.800 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.159 6.016 -20.880 1.00 0.00 H new ATOM 424 N LEU A 27 3.716 1.539 -15.760 1.00 0.00 N ATOM 425 CA LEU A 27 2.700 0.764 -15.072 1.00 0.00 C ATOM 426 C LEU A 27 2.447 -0.535 -15.840 1.00 0.00 C ATOM 427 O LEU A 27 3.016 -0.747 -16.910 1.00 0.00 O ATOM 428 CB LEU A 27 1.439 1.604 -14.853 1.00 0.00 C ATOM 429 CG LEU A 27 0.446 1.638 -16.017 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.176 1.623 -17.361 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.570 0.499 -15.903 1.00 0.00 C ATOM 0 H LEU A 27 3.805 1.337 -16.756 1.00 0.00 H new ATOM 0 HA LEU A 27 3.045 0.485 -14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.922 1.225 -13.971 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.742 2.627 -14.630 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.111 2.573 -15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.447 1.648 -18.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.827 2.495 -17.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.775 0.716 -17.440 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.264 0.545 -16.742 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.047 -0.457 -15.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.123 0.597 -14.969 1.00 0.00 H new ATOM 443 N ILE A 28 1.593 -1.369 -15.266 1.00 0.00 N ATOM 444 CA ILE A 28 1.257 -2.640 -15.886 1.00 0.00 C ATOM 445 C ILE A 28 -0.240 -2.670 -16.199 1.00 0.00 C ATOM 446 O ILE A 28 -1.059 -2.273 -15.373 1.00 0.00 O ATOM 447 CB ILE A 28 1.725 -3.803 -15.007 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.695 -3.318 -13.927 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.328 -4.923 -15.856 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.119 -3.217 -14.473 1.00 0.00 C ATOM 0 H ILE A 28 1.123 -1.190 -14.378 1.00 0.00 H new ATOM 0 HA ILE A 28 1.783 -2.753 -16.834 1.00 0.00 H new ATOM 0 HB ILE A 28 0.855 -4.217 -14.497 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.374 -2.344 -13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.674 -4.004 -13.080 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.652 -5.737 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.578 -5.293 -16.555 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.184 -4.538 -16.411 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.787 -2.870 -13.685 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.446 -4.197 -14.821 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.141 -2.512 -15.304 1.00 0.00 H new ATOM 462 N LEU A 29 -0.551 -3.147 -17.395 1.00 0.00 N ATOM 463 CA LEU A 29 -1.934 -3.236 -17.830 1.00 0.00 C ATOM 464 C LEU A 29 -2.177 -4.603 -18.471 1.00 0.00 C ATOM 465 O LEU A 29 -1.536 -4.951 -19.461 1.00 0.00 O ATOM 466 CB LEU A 29 -2.287 -2.057 -18.741 1.00 0.00 C ATOM 467 CG LEU A 29 -3.651 -1.410 -18.502 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.174 -0.747 -19.778 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.647 -2.423 -17.933 1.00 0.00 C ATOM 0 H LEU A 29 0.132 -3.476 -18.077 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.607 -3.161 -16.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.519 -1.292 -18.626 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.245 -2.398 -19.776 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.530 -0.624 -17.756 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.146 -0.294 -19.581 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.474 0.023 -20.101 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.276 -1.497 -20.562 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.609 -1.937 -17.772 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.770 -3.247 -18.636 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.272 -2.808 -16.985 1.00 0.00 H new ATOM 481 N HIS A 30 -3.105 -5.343 -17.881 1.00 0.00 N ATOM 482 CA HIS A 30 -3.440 -6.664 -18.381 1.00 0.00 C ATOM 483 C HIS A 30 -2.331 -7.650 -18.009 1.00 0.00 C ATOM 484 O HIS A 30 -2.605 -8.807 -17.692 1.00 0.00 O ATOM 485 CB HIS A 30 -3.715 -6.621 -19.887 1.00 0.00 C ATOM 486 CG HIS A 30 -4.404 -7.854 -20.420 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.745 -9.055 -20.617 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.699 -8.060 -20.795 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.614 -9.936 -21.091 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.825 -9.318 -21.200 1.00 0.00 N ATOM 0 H HIS A 30 -3.635 -5.051 -17.060 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.360 -7.012 -17.912 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.330 -5.749 -20.109 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.771 -6.488 -20.415 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.489 -7.324 -20.767 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.401 -10.963 -21.346 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.685 -9.751 -21.537 1.00 0.00 H new ATOM 499 N TYR A 31 -1.103 -7.158 -18.062 1.00 0.00 N ATOM 500 CA TYR A 31 0.048 -7.981 -17.735 1.00 0.00 C ATOM 501 C TYR A 31 1.318 -7.433 -18.388 1.00 0.00 C ATOM 502 O TYR A 31 2.425 -7.853 -18.052 1.00 0.00 O ATOM 503 CB TYR A 31 -0.249 -9.368 -18.308 1.00 0.00 C ATOM 504 CG TYR A 31 0.981 -10.088 -18.865 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.081 -10.301 -18.058 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.990 -10.523 -20.175 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.237 -10.978 -18.583 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.149 -11.200 -20.700 1.00 0.00 C ATOM 509 CZ TYR A 31 3.215 -11.395 -19.878 1.00 0.00 C ATOM 510 OH TYR A 31 4.307 -12.034 -20.374 1.00 0.00 O ATOM 0 H TYR A 31 -0.880 -6.199 -18.327 1.00 0.00 H new ATOM 0 HA TYR A 31 0.212 -8.000 -16.658 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.696 -9.984 -17.528 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.991 -9.271 -19.101 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.074 -9.960 -17.033 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.129 -10.356 -20.806 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.104 -11.151 -17.962 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.171 -11.545 -21.723 1.00 0.00 H new ATOM 0 HH TYR A 31 4.148 -12.275 -21.311 1.00 0.00 H new ATOM 520 N LYS A 32 1.117 -6.505 -19.311 1.00 0.00 N ATOM 521 CA LYS A 32 2.231 -5.895 -20.015 1.00 0.00 C ATOM 522 C LYS A 32 2.597 -4.574 -19.338 1.00 0.00 C ATOM 523 O LYS A 32 1.856 -4.083 -18.488 1.00 0.00 O ATOM 524 CB LYS A 32 1.912 -5.754 -21.505 1.00 0.00 C ATOM 525 CG LYS A 32 1.516 -7.101 -22.111 1.00 0.00 C ATOM 526 CD LYS A 32 0.009 -7.165 -22.371 1.00 0.00 C ATOM 527 CE LYS A 32 -0.294 -7.937 -23.657 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.496 -7.387 -24.322 1.00 0.00 N ATOM 0 H LYS A 32 0.198 -6.160 -19.588 1.00 0.00 H new ATOM 0 HA LYS A 32 3.111 -6.536 -19.960 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.102 -5.038 -21.641 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.780 -5.356 -22.030 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.056 -7.256 -23.045 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.807 -7.907 -21.437 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.489 -7.645 -21.529 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.394 -6.155 -22.446 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.560 -7.880 -24.332 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.449 -8.991 -23.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.687 -7.923 -25.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.312 -7.464 -23.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.335 -6.387 -24.559 1.00 0.00 H new ATOM 542 N VAL A 33 3.740 -4.035 -19.738 1.00 0.00 N ATOM 543 CA VAL A 33 4.212 -2.781 -19.178 1.00 0.00 C ATOM 544 C VAL A 33 4.011 -1.662 -20.203 1.00 0.00 C ATOM 545 O VAL A 33 4.512 -1.746 -21.323 1.00 0.00 O ATOM 546 CB VAL A 33 5.668 -2.924 -18.728 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.167 -1.636 -18.068 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.836 -4.121 -17.790 1.00 0.00 C ATOM 0 H VAL A 33 4.353 -4.444 -20.443 1.00 0.00 H new ATOM 0 HA VAL A 33 3.635 -2.518 -18.291 1.00 0.00 H new ATOM 0 HB VAL A 33 6.277 -3.104 -19.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.204 -1.764 -17.758 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.101 -0.813 -18.780 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.552 -1.412 -17.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.879 -4.200 -17.485 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.210 -3.983 -16.909 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.539 -5.033 -18.307 1.00 0.00 H new ATOM 558 N TYR A 34 3.278 -0.642 -19.783 1.00 0.00 N ATOM 559 CA TYR A 34 3.005 0.491 -20.650 1.00 0.00 C ATOM 560 C TYR A 34 3.646 1.766 -20.103 1.00 0.00 C ATOM 561 O TYR A 34 3.809 1.915 -18.893 1.00 0.00 O ATOM 562 CB TYR A 34 1.484 0.660 -20.656 1.00 0.00 C ATOM 563 CG TYR A 34 0.717 -0.615 -21.010 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.812 -1.726 -20.196 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.070 -0.656 -22.143 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.091 -2.927 -20.530 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.791 -1.856 -22.476 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.676 -2.933 -21.652 1.00 0.00 C ATOM 569 OH TYR A 34 -1.357 -4.067 -21.967 1.00 0.00 O ATOM 0 H TYR A 34 2.864 -0.576 -18.853 1.00 0.00 H new ATOM 0 HA TYR A 34 3.410 0.318 -21.647 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.163 1.003 -19.672 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.218 1.441 -21.369 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.427 -1.694 -19.309 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.145 0.213 -22.780 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.158 -3.804 -19.903 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.410 -1.901 -23.360 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.678 -4.495 -21.146 1.00 0.00 H new ATOM 579 N ASP A 35 3.994 2.657 -21.022 1.00 0.00 N ATOM 580 CA ASP A 35 4.614 3.916 -20.647 1.00 0.00 C ATOM 581 C ASP A 35 3.527 4.973 -20.438 1.00 0.00 C ATOM 582 O ASP A 35 3.075 5.600 -21.395 1.00 0.00 O ATOM 583 CB ASP A 35 5.554 4.416 -21.744 1.00 0.00 C ATOM 584 CG ASP A 35 5.520 5.925 -21.989 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.274 6.654 -21.002 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.741 6.318 -23.154 1.00 0.00 O ATOM 0 H ASP A 35 3.858 2.531 -22.025 1.00 0.00 H new ATOM 0 HA ASP A 35 5.183 3.751 -19.732 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.573 4.128 -21.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.304 3.907 -22.675 1.00 0.00 H new ATOM 591 N LEU A 36 3.138 5.138 -19.182 1.00 0.00 N ATOM 592 CA LEU A 36 2.113 6.108 -18.837 1.00 0.00 C ATOM 593 C LEU A 36 2.583 7.506 -19.243 1.00 0.00 C ATOM 594 O LEU A 36 1.778 8.339 -19.656 1.00 0.00 O ATOM 595 CB LEU A 36 1.740 5.989 -17.358 1.00 0.00 C ATOM 596 CG LEU A 36 0.808 4.831 -16.992 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.026 5.140 -15.715 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.116 4.482 -18.161 1.00 0.00 C ATOM 0 H LEU A 36 3.515 4.616 -18.391 1.00 0.00 H new ATOM 0 HA LEU A 36 1.196 5.907 -19.390 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.658 5.887 -16.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.269 6.921 -17.047 1.00 0.00 H new ATOM 0 HG LEU A 36 1.418 3.951 -16.790 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.628 4.301 -15.477 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.722 5.302 -14.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.574 6.038 -15.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.768 3.656 -17.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.722 5.351 -18.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.483 4.190 -19.023 1.00 0.00 H new ATOM 610 N THR A 37 3.884 7.721 -19.109 1.00 0.00 N ATOM 611 CA THR A 37 4.470 9.004 -19.455 1.00 0.00 C ATOM 612 C THR A 37 3.917 9.499 -20.792 1.00 0.00 C ATOM 613 O THR A 37 3.875 10.702 -21.045 1.00 0.00 O ATOM 614 CB THR A 37 5.991 8.845 -19.448 1.00 0.00 C ATOM 615 OG1 THR A 37 6.405 9.506 -18.256 1.00 0.00 O ATOM 616 CG2 THR A 37 6.669 9.640 -20.568 1.00 0.00 C ATOM 0 H THR A 37 4.548 7.028 -18.765 1.00 0.00 H new ATOM 0 HA THR A 37 4.205 9.770 -18.726 1.00 0.00 H new ATOM 0 HB THR A 37 6.245 7.789 -19.546 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.710 9.413 -17.572 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.748 9.492 -20.518 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.300 9.295 -21.534 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.442 10.700 -20.451 1.00 0.00 H new ATOM 624 N LYS A 38 3.506 8.546 -21.615 1.00 0.00 N ATOM 625 CA LYS A 38 2.956 8.870 -22.922 1.00 0.00 C ATOM 626 C LYS A 38 1.455 9.142 -22.786 1.00 0.00 C ATOM 627 O LYS A 38 0.938 10.091 -23.371 1.00 0.00 O ATOM 628 CB LYS A 38 3.293 7.771 -23.933 1.00 0.00 C ATOM 629 CG LYS A 38 4.306 8.270 -24.965 1.00 0.00 C ATOM 630 CD LYS A 38 5.606 8.710 -24.288 1.00 0.00 C ATOM 631 CE LYS A 38 6.093 10.047 -24.852 1.00 0.00 C ATOM 632 NZ LYS A 38 6.271 11.034 -23.764 1.00 0.00 N ATOM 0 H LYS A 38 3.542 7.549 -21.403 1.00 0.00 H new ATOM 0 HA LYS A 38 3.411 9.780 -23.312 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.697 6.903 -23.412 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.384 7.445 -24.438 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.516 7.479 -25.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.881 9.105 -25.523 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.448 8.801 -23.213 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.372 7.949 -24.434 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.036 9.904 -25.379 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.375 10.425 -25.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.602 11.935 -24.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.363 11.183 -23.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.973 10.678 -23.084 1.00 0.00 H new ATOM 646 N PHE A 39 0.800 8.291 -22.010 1.00 0.00 N ATOM 647 CA PHE A 39 -0.629 8.426 -21.790 1.00 0.00 C ATOM 648 C PHE A 39 -0.957 9.770 -21.135 1.00 0.00 C ATOM 649 O PHE A 39 -2.086 10.250 -21.227 1.00 0.00 O ATOM 650 CB PHE A 39 -1.046 7.297 -20.846 1.00 0.00 C ATOM 651 CG PHE A 39 -0.976 5.904 -21.475 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.175 5.181 -21.403 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.066 5.386 -22.105 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.240 3.889 -21.987 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.999 4.093 -22.687 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.849 3.371 -22.617 1.00 0.00 C ATOM 0 H PHE A 39 1.233 7.505 -21.526 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.158 8.376 -22.741 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.406 7.319 -19.964 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.065 7.480 -20.505 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.039 5.591 -20.901 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.980 5.958 -22.162 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.154 3.317 -21.931 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.864 3.682 -23.187 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.800 2.388 -23.061 1.00 0.00 H new ATOM 666 N LEU A 40 0.049 10.338 -20.487 1.00 0.00 N ATOM 667 CA LEU A 40 -0.119 11.616 -19.817 1.00 0.00 C ATOM 668 C LEU A 40 -0.753 12.615 -20.786 1.00 0.00 C ATOM 669 O LEU A 40 -1.338 13.611 -20.361 1.00 0.00 O ATOM 670 CB LEU A 40 1.211 12.089 -19.226 1.00 0.00 C ATOM 671 CG LEU A 40 1.350 11.971 -17.707 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.923 10.607 -17.314 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.179 13.124 -17.141 1.00 0.00 C ATOM 0 H LEU A 40 0.984 9.937 -20.412 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.800 11.517 -18.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.015 11.518 -19.690 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.359 13.132 -19.504 1.00 0.00 H new ATOM 0 HG LEU A 40 0.356 12.043 -17.266 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.012 10.549 -16.229 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.259 9.818 -17.667 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.907 10.482 -17.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.262 13.016 -16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.174 13.109 -17.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.692 14.071 -17.374 1.00 0.00 H new ATOM 685 N GLU A 41 -0.613 12.317 -22.069 1.00 0.00 N ATOM 686 CA GLU A 41 -1.164 13.177 -23.101 1.00 0.00 C ATOM 687 C GLU A 41 -2.564 12.701 -23.499 1.00 0.00 C ATOM 688 O GLU A 41 -3.376 13.486 -23.985 1.00 0.00 O ATOM 689 CB GLU A 41 -0.240 13.235 -24.319 1.00 0.00 C ATOM 690 CG GLU A 41 0.329 14.642 -24.510 1.00 0.00 C ATOM 691 CD GLU A 41 0.990 14.786 -25.881 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.758 13.868 -26.242 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.714 15.813 -26.539 1.00 0.00 O ATOM 0 H GLU A 41 -0.126 11.491 -22.417 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.245 14.187 -22.698 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.576 12.523 -24.195 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.790 12.937 -25.212 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.469 15.377 -24.408 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.058 14.852 -23.727 1.00 0.00 H new ATOM 700 N GLU A 42 -2.801 11.417 -23.277 1.00 0.00 N ATOM 701 CA GLU A 42 -4.088 10.826 -23.605 1.00 0.00 C ATOM 702 C GLU A 42 -5.072 11.022 -22.449 1.00 0.00 C ATOM 703 O GLU A 42 -5.048 12.050 -21.777 1.00 0.00 O ATOM 704 CB GLU A 42 -3.938 9.345 -23.954 1.00 0.00 C ATOM 705 CG GLU A 42 -4.993 8.912 -24.975 1.00 0.00 C ATOM 706 CD GLU A 42 -4.525 9.202 -26.402 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.932 10.286 -26.597 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.770 8.334 -27.267 1.00 0.00 O ATOM 0 H GLU A 42 -2.124 10.769 -22.874 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.486 11.333 -24.484 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.941 9.162 -24.356 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.033 8.743 -23.050 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.196 7.847 -24.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.929 9.437 -24.781 1.00 0.00 H new ATOM 715 N HIS A 43 -5.914 10.016 -22.254 1.00 0.00 N ATOM 716 CA HIS A 43 -6.903 10.063 -21.193 1.00 0.00 C ATOM 717 C HIS A 43 -7.837 11.254 -21.414 1.00 0.00 C ATOM 718 O HIS A 43 -7.526 12.156 -22.191 1.00 0.00 O ATOM 719 CB HIS A 43 -6.227 10.089 -19.820 1.00 0.00 C ATOM 720 CG HIS A 43 -6.555 8.899 -18.952 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.226 9.012 -17.746 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.299 7.571 -19.127 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.362 7.801 -17.227 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.786 6.909 -18.083 1.00 0.00 N ATOM 0 H HIS A 43 -5.930 9.164 -22.814 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.510 9.158 -21.218 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.147 10.138 -19.959 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.523 10.999 -19.298 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.787 7.132 -19.971 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.844 7.562 -16.291 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.737 5.900 -17.944 1.00 0.00 H new ATOM 733 N PRO A 44 -8.995 11.218 -20.700 1.00 0.00 N ATOM 734 CA PRO A 44 -9.976 12.283 -20.811 1.00 0.00 C ATOM 735 C PRO A 44 -9.514 13.536 -20.066 1.00 0.00 C ATOM 736 O PRO A 44 -10.236 14.062 -19.219 1.00 0.00 O ATOM 737 CB PRO A 44 -11.259 11.696 -20.248 1.00 0.00 C ATOM 738 CG PRO A 44 -10.839 10.493 -19.419 1.00 0.00 C ATOM 739 CD PRO A 44 -9.396 10.166 -19.772 1.00 0.00 C ATOM 0 HA PRO A 44 -10.122 12.614 -21.839 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.787 12.427 -19.636 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.938 11.401 -21.048 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.932 10.711 -18.355 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.486 9.641 -19.627 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.763 10.158 -18.885 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.314 9.181 -20.231 1.00 0.00 H new ATOM 747 N GLY A 45 -8.312 13.979 -20.405 1.00 0.00 N ATOM 748 CA GLY A 45 -7.744 15.160 -19.776 1.00 0.00 C ATOM 749 C GLY A 45 -7.324 14.866 -18.335 1.00 0.00 C ATOM 750 O GLY A 45 -7.831 15.482 -17.399 1.00 0.00 O ATOM 0 H GLY A 45 -7.716 13.541 -21.107 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.881 15.501 -20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.474 15.969 -19.788 1.00 0.00 H new ATOM 754 N GLY A 46 -6.401 13.924 -18.202 1.00 0.00 N ATOM 755 CA GLY A 46 -5.906 13.542 -16.891 1.00 0.00 C ATOM 756 C GLY A 46 -4.557 12.826 -17.002 1.00 0.00 C ATOM 757 O GLY A 46 -4.389 11.937 -17.835 1.00 0.00 O ATOM 0 H GLY A 46 -5.983 13.415 -18.981 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.801 14.428 -16.265 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.629 12.890 -16.401 1.00 0.00 H new ATOM 761 N GLU A 47 -3.633 13.240 -16.147 1.00 0.00 N ATOM 762 CA GLU A 47 -2.305 12.651 -16.139 1.00 0.00 C ATOM 763 C GLU A 47 -2.103 11.818 -14.871 1.00 0.00 C ATOM 764 O GLU A 47 -1.701 10.658 -14.942 1.00 0.00 O ATOM 765 CB GLU A 47 -1.226 13.727 -16.267 1.00 0.00 C ATOM 766 CG GLU A 47 -1.064 14.171 -17.722 1.00 0.00 C ATOM 767 CD GLU A 47 -0.154 15.397 -17.822 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.480 16.402 -17.153 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.845 15.303 -18.566 1.00 0.00 O ATOM 0 H GLU A 47 -3.778 13.976 -15.456 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.216 11.991 -17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.488 14.585 -15.648 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.277 13.342 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.646 13.354 -18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.041 14.403 -18.146 1.00 0.00 H new ATOM 776 N GLU A 48 -2.388 12.444 -13.739 1.00 0.00 N ATOM 777 CA GLU A 48 -2.244 11.776 -12.456 1.00 0.00 C ATOM 778 C GLU A 48 -2.990 10.442 -12.465 1.00 0.00 C ATOM 779 O GLU A 48 -2.470 9.431 -11.994 1.00 0.00 O ATOM 780 CB GLU A 48 -2.732 12.670 -11.314 1.00 0.00 C ATOM 781 CG GLU A 48 -1.694 12.742 -10.193 1.00 0.00 C ATOM 782 CD GLU A 48 -1.770 14.084 -9.461 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.192 15.055 -9.995 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.405 14.108 -8.384 1.00 0.00 O ATOM 0 H GLU A 48 -2.718 13.407 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.185 11.576 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.934 13.672 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.672 12.283 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.859 11.928 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.695 12.606 -10.608 1.00 0.00 H new ATOM 791 N VAL A 49 -4.199 10.479 -13.009 1.00 0.00 N ATOM 792 CA VAL A 49 -5.022 9.284 -13.085 1.00 0.00 C ATOM 793 C VAL A 49 -4.153 8.098 -13.509 1.00 0.00 C ATOM 794 O VAL A 49 -4.473 6.951 -13.202 1.00 0.00 O ATOM 795 CB VAL A 49 -6.206 9.524 -14.024 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.725 9.833 -15.444 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.162 8.329 -14.018 1.00 0.00 C ATOM 0 H VAL A 49 -4.627 11.318 -13.401 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.442 9.046 -12.108 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.753 10.393 -13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.586 10.000 -16.092 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.102 10.728 -15.431 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.144 8.992 -15.822 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.994 8.526 -14.694 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.630 7.436 -14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.543 8.173 -13.009 1.00 0.00 H new ATOM 807 N LEU A 50 -3.073 8.416 -14.206 1.00 0.00 N ATOM 808 CA LEU A 50 -2.156 7.390 -14.675 1.00 0.00 C ATOM 809 C LEU A 50 -0.927 7.358 -13.766 1.00 0.00 C ATOM 810 O LEU A 50 -0.358 6.294 -13.521 1.00 0.00 O ATOM 811 CB LEU A 50 -1.824 7.605 -16.154 1.00 0.00 C ATOM 812 CG LEU A 50 -3.019 7.720 -17.100 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.278 9.180 -17.480 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.831 6.833 -18.332 1.00 0.00 C ATOM 0 H LEU A 50 -2.812 9.369 -14.458 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.621 6.406 -14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.227 8.512 -16.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.199 6.777 -16.489 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.905 7.360 -16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.133 9.234 -18.154 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.487 9.759 -16.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.398 9.588 -17.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.695 6.934 -18.988 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.932 7.139 -18.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.732 5.793 -18.020 1.00 0.00 H new ATOM 826 N ARG A 51 -0.549 8.536 -13.290 1.00 0.00 N ATOM 827 CA ARG A 51 0.603 8.656 -12.414 1.00 0.00 C ATOM 828 C ARG A 51 0.310 8.005 -11.061 1.00 0.00 C ATOM 829 O ARG A 51 1.189 7.386 -10.462 1.00 0.00 O ATOM 830 CB ARG A 51 0.978 10.123 -12.196 1.00 0.00 C ATOM 831 CG ARG A 51 2.477 10.271 -11.929 1.00 0.00 C ATOM 832 CD ARG A 51 2.732 11.101 -10.670 1.00 0.00 C ATOM 833 NE ARG A 51 2.834 12.535 -11.021 1.00 0.00 N ATOM 834 CZ ARG A 51 3.254 13.487 -10.176 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.611 13.164 -8.926 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.315 14.763 -10.582 1.00 0.00 N ATOM 0 H ARG A 51 -1.021 9.416 -13.495 1.00 0.00 H new ATOM 0 HA ARG A 51 1.439 8.146 -12.893 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.702 10.707 -13.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.414 10.525 -11.355 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.929 9.285 -11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.957 10.746 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.923 10.950 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.651 10.770 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 51 2.568 12.816 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.563 12.193 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.931 13.889 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.042 15.009 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.634 15.488 -9.939 1.00 0.00 H new ATOM 850 N GLU A 52 -0.928 8.167 -10.617 1.00 0.00 N ATOM 851 CA GLU A 52 -1.348 7.603 -9.346 1.00 0.00 C ATOM 852 C GLU A 52 -1.329 6.075 -9.411 1.00 0.00 C ATOM 853 O GLU A 52 -1.425 5.404 -8.384 1.00 0.00 O ATOM 854 CB GLU A 52 -2.732 8.119 -8.947 1.00 0.00 C ATOM 855 CG GLU A 52 -3.809 7.589 -9.898 1.00 0.00 C ATOM 856 CD GLU A 52 -5.205 7.770 -9.300 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.485 7.083 -8.296 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.960 8.594 -9.861 1.00 0.00 O ATOM 0 H GLU A 52 -1.654 8.681 -11.116 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.643 7.923 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.959 7.811 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.735 9.209 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.747 8.113 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.631 6.533 -10.103 1.00 0.00 H new ATOM 865 N GLN A 53 -1.206 5.567 -10.629 1.00 0.00 N ATOM 866 CA GLN A 53 -1.173 4.131 -10.841 1.00 0.00 C ATOM 867 C GLN A 53 0.237 3.684 -11.233 1.00 0.00 C ATOM 868 O GLN A 53 0.582 2.511 -11.092 1.00 0.00 O ATOM 869 CB GLN A 53 -2.196 3.711 -11.900 1.00 0.00 C ATOM 870 CG GLN A 53 -2.010 4.509 -13.191 1.00 0.00 C ATOM 871 CD GLN A 53 -3.042 4.100 -14.243 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.852 3.169 -15.007 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.142 4.847 -14.239 1.00 0.00 N ATOM 0 H GLN A 53 -1.128 6.125 -11.479 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.442 3.638 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.092 2.646 -12.109 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.205 3.864 -11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.103 5.574 -12.980 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.005 4.348 -13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.236 5.612 -13.571 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.891 4.655 -14.904 1.00 0.00 H new ATOM 882 N ALA A 54 1.013 4.641 -11.718 1.00 0.00 N ATOM 883 CA ALA A 54 2.377 4.362 -12.131 1.00 0.00 C ATOM 884 C ALA A 54 3.172 3.837 -10.932 1.00 0.00 C ATOM 885 O ALA A 54 3.014 4.328 -9.816 1.00 0.00 O ATOM 886 CB ALA A 54 2.998 5.623 -12.734 1.00 0.00 C ATOM 0 H ALA A 54 0.723 5.612 -11.834 1.00 0.00 H new ATOM 0 HA ALA A 54 2.393 3.591 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.022 5.412 -13.043 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.415 5.938 -13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.001 6.419 -11.989 1.00 0.00 H new ATOM 892 N GLY A 55 4.006 2.845 -11.205 1.00 0.00 N ATOM 893 CA GLY A 55 4.825 2.248 -10.163 1.00 0.00 C ATOM 894 C GLY A 55 4.551 0.749 -10.041 1.00 0.00 C ATOM 895 O GLY A 55 5.262 0.039 -9.331 1.00 0.00 O ATOM 0 H GLY A 55 4.133 2.439 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.879 2.411 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.621 2.737 -9.210 1.00 0.00 H new ATOM 899 N GLY A 56 3.516 0.310 -10.744 1.00 0.00 N ATOM 900 CA GLY A 56 3.140 -1.093 -10.724 1.00 0.00 C ATOM 901 C GLY A 56 1.916 -1.344 -11.608 1.00 0.00 C ATOM 902 O GLY A 56 1.502 -0.468 -12.365 1.00 0.00 O ATOM 0 H GLY A 56 2.927 0.901 -11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.975 -1.702 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.924 -1.401 -9.701 1.00 0.00 H new ATOM 906 N ASP A 57 1.373 -2.547 -11.483 1.00 0.00 N ATOM 907 CA ASP A 57 0.206 -2.925 -12.262 1.00 0.00 C ATOM 908 C ASP A 57 -0.969 -2.017 -11.887 1.00 0.00 C ATOM 909 O ASP A 57 -1.284 -1.860 -10.708 1.00 0.00 O ATOM 910 CB ASP A 57 -0.204 -4.370 -11.974 1.00 0.00 C ATOM 911 CG ASP A 57 -1.713 -4.622 -11.947 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.395 -4.084 -12.847 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.151 -5.347 -11.029 1.00 0.00 O ATOM 0 H ASP A 57 1.720 -3.272 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 57 0.459 -2.825 -13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.243 -5.016 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.216 -4.666 -11.013 1.00 0.00 H new ATOM 918 N ALA A 58 -1.582 -1.444 -12.911 1.00 0.00 N ATOM 919 CA ALA A 58 -2.714 -0.557 -12.704 1.00 0.00 C ATOM 920 C ALA A 58 -3.998 -1.263 -13.144 1.00 0.00 C ATOM 921 O ALA A 58 -5.093 -0.882 -12.733 1.00 0.00 O ATOM 922 CB ALA A 58 -2.481 0.752 -13.460 1.00 0.00 C ATOM 0 H ALA A 58 -1.317 -1.576 -13.887 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.819 -0.310 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.330 1.418 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.573 1.229 -13.090 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.373 0.543 -14.524 1.00 0.00 H new ATOM 928 N THR A 59 -3.821 -2.281 -13.973 1.00 0.00 N ATOM 929 CA THR A 59 -4.952 -3.044 -14.473 1.00 0.00 C ATOM 930 C THR A 59 -5.943 -3.332 -13.343 1.00 0.00 C ATOM 931 O THR A 59 -7.137 -3.076 -13.481 1.00 0.00 O ATOM 932 CB THR A 59 -4.410 -4.309 -15.143 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.284 -4.518 -16.249 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.599 -5.557 -14.278 1.00 0.00 C ATOM 0 H THR A 59 -2.911 -2.595 -14.311 1.00 0.00 H new ATOM 0 HA THR A 59 -5.512 -2.479 -15.218 1.00 0.00 H new ATOM 0 HB THR A 59 -3.351 -4.177 -15.363 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.992 -3.840 -16.239 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.198 -6.426 -14.800 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.073 -5.427 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.661 -5.709 -14.085 1.00 0.00 H new ATOM 942 N GLU A 60 -5.409 -3.862 -12.253 1.00 0.00 N ATOM 943 CA GLU A 60 -6.230 -4.188 -11.098 1.00 0.00 C ATOM 944 C GLU A 60 -7.246 -3.072 -10.839 1.00 0.00 C ATOM 945 O GLU A 60 -8.403 -3.343 -10.524 1.00 0.00 O ATOM 946 CB GLU A 60 -5.365 -4.442 -9.863 1.00 0.00 C ATOM 947 CG GLU A 60 -4.292 -3.362 -9.714 1.00 0.00 C ATOM 948 CD GLU A 60 -4.568 -2.479 -8.495 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.710 -1.980 -8.404 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.630 -2.322 -7.685 1.00 0.00 O ATOM 0 H GLU A 60 -4.417 -4.074 -12.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.775 -5.107 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.993 -4.461 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.892 -5.421 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.312 -3.829 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.262 -2.747 -10.614 1.00 0.00 H new ATOM 957 N ASN A 61 -6.774 -1.842 -10.981 1.00 0.00 N ATOM 958 CA ASN A 61 -7.626 -0.685 -10.764 1.00 0.00 C ATOM 959 C ASN A 61 -8.323 -0.319 -12.076 1.00 0.00 C ATOM 960 O ASN A 61 -9.538 -0.122 -12.105 1.00 0.00 O ATOM 961 CB ASN A 61 -6.807 0.524 -10.310 1.00 0.00 C ATOM 962 CG ASN A 61 -7.391 1.134 -9.035 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.587 1.336 -8.904 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.483 1.418 -8.106 1.00 0.00 N ATOM 0 H ASN A 61 -5.813 -1.622 -11.243 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.351 -0.939 -9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.774 0.223 -10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.789 1.274 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.772 1.831 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.497 1.223 -8.280 1.00 0.00 H new ATOM 971 N PHE A 62 -7.525 -0.239 -13.131 1.00 0.00 N ATOM 972 CA PHE A 62 -8.052 0.101 -14.443 1.00 0.00 C ATOM 973 C PHE A 62 -9.197 -0.835 -14.833 1.00 0.00 C ATOM 974 O PHE A 62 -9.958 -0.540 -15.753 1.00 0.00 O ATOM 975 CB PHE A 62 -6.905 -0.071 -15.442 1.00 0.00 C ATOM 976 CG PHE A 62 -7.283 -0.868 -16.692 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.534 -2.202 -16.598 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.370 -0.243 -17.896 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.885 -2.942 -17.756 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.720 -0.985 -19.057 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.971 -2.317 -18.963 1.00 0.00 C ATOM 0 H PHE A 62 -6.519 -0.403 -13.105 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.438 1.120 -14.437 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.550 0.914 -15.745 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.074 -0.570 -14.943 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.466 -2.698 -15.641 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.173 0.816 -17.971 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.084 -4.001 -17.681 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.786 -0.490 -20.014 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.239 -2.880 -19.845 1.00 0.00 H new ATOM 991 N GLU A 63 -9.284 -1.945 -14.114 1.00 0.00 N ATOM 992 CA GLU A 63 -10.324 -2.926 -14.374 1.00 0.00 C ATOM 993 C GLU A 63 -11.604 -2.551 -13.626 1.00 0.00 C ATOM 994 O GLU A 63 -12.705 -2.846 -14.089 1.00 0.00 O ATOM 995 CB GLU A 63 -9.858 -4.333 -13.994 1.00 0.00 C ATOM 996 CG GLU A 63 -9.440 -5.126 -15.233 1.00 0.00 C ATOM 997 CD GLU A 63 -10.658 -5.742 -15.926 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.642 -4.994 -16.112 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.576 -6.945 -16.253 1.00 0.00 O ATOM 0 H GLU A 63 -8.651 -2.187 -13.351 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.538 -2.927 -15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.020 -4.267 -13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.660 -4.858 -13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.914 -4.471 -15.928 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.743 -5.914 -14.947 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.417 -1.907 -12.483 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.546 -1.490 -11.667 1.00 0.00 C ATOM 1008 C ASP A 64 -13.243 -0.305 -12.338 1.00 0.00 C ATOM 1009 O ASP A 64 -14.454 -0.131 -12.195 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.085 -1.042 -10.279 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.947 -1.541 -9.119 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.654 -2.550 -9.330 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.881 -0.904 -8.046 1.00 0.00 O ATOM 0 H ASP A 64 -10.502 -1.664 -12.103 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.222 -2.339 -11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.062 -1.384 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.064 0.048 -10.254 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.453 0.478 -13.057 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.980 1.641 -13.750 1.00 0.00 C ATOM 1020 C VAL A 65 -13.587 1.202 -15.085 1.00 0.00 C ATOM 1021 O VAL A 65 -14.029 2.036 -15.873 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.884 2.697 -13.910 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.497 2.082 -13.711 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.986 3.391 -15.269 1.00 0.00 C ATOM 0 H VAL A 65 -11.451 0.330 -13.175 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.776 2.104 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.030 3.451 -13.137 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.736 2.854 -13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.428 1.656 -12.710 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.337 1.298 -14.451 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.196 4.137 -15.357 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.878 2.653 -16.064 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.957 3.879 -15.356 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.588 -0.106 -15.295 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.132 -0.666 -16.521 1.00 0.00 C ATOM 1036 C GLY A 66 -13.837 0.241 -17.717 1.00 0.00 C ATOM 1037 O GLY A 66 -14.705 0.991 -18.161 1.00 0.00 O ATOM 0 H GLY A 66 -13.221 -0.794 -14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.704 -1.653 -16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.209 -0.799 -16.418 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.609 0.144 -18.205 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.188 0.948 -19.341 1.00 0.00 C ATOM 1043 C HIS A 67 -12.859 0.428 -20.613 1.00 0.00 C ATOM 1044 O HIS A 67 -13.616 -0.540 -20.568 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.662 0.982 -19.446 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.000 1.930 -18.476 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.596 1.546 -17.210 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.676 3.250 -18.600 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.055 2.595 -16.607 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.106 3.650 -17.470 1.00 0.00 N ATOM 0 H HIS A 67 -11.891 -0.479 -17.835 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.507 1.981 -19.200 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.274 -0.023 -19.278 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.384 1.265 -20.461 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.697 0.614 -16.809 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.853 3.865 -19.470 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.646 2.612 -15.608 1.00 0.00 H new ATOM 1059 N SER A 68 -12.557 1.094 -21.716 1.00 0.00 N ATOM 1060 CA SER A 68 -13.121 0.710 -23.000 1.00 0.00 C ATOM 1061 C SER A 68 -12.076 -0.038 -23.829 1.00 0.00 C ATOM 1062 O SER A 68 -10.885 0.257 -23.747 1.00 0.00 O ATOM 1063 CB SER A 68 -13.627 1.934 -23.766 1.00 0.00 C ATOM 1064 OG SER A 68 -12.619 2.496 -24.602 1.00 0.00 O ATOM 0 H SER A 68 -11.929 1.897 -21.749 1.00 0.00 H new ATOM 0 HA SER A 68 -13.970 0.051 -22.817 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.486 1.651 -24.374 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.972 2.687 -23.058 1.00 0.00 H new ATOM 0 HG SER A 68 -13.011 3.202 -25.157 1.00 0.00 H new ATOM 1070 N THR A 69 -12.560 -0.996 -24.607 1.00 0.00 N ATOM 1071 CA THR A 69 -11.682 -1.790 -25.450 1.00 0.00 C ATOM 1072 C THR A 69 -10.712 -0.886 -26.211 1.00 0.00 C ATOM 1073 O THR A 69 -9.579 -1.278 -26.488 1.00 0.00 O ATOM 1074 CB THR A 69 -12.557 -2.649 -26.366 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.581 -1.760 -26.802 1.00 0.00 O ATOM 1076 CG2 THR A 69 -13.312 -3.739 -25.601 1.00 0.00 C ATOM 0 H THR A 69 -13.548 -1.240 -24.671 1.00 0.00 H new ATOM 0 HA THR A 69 -11.057 -2.455 -24.854 1.00 0.00 H new ATOM 0 HB THR A 69 -11.936 -3.108 -27.135 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.193 -2.235 -27.402 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.917 -4.319 -26.297 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.598 -4.397 -25.106 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.959 -3.278 -24.855 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.190 0.308 -26.527 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.378 1.273 -27.251 1.00 0.00 C ATOM 1086 C ASP A 70 -9.218 1.726 -26.361 1.00 0.00 C ATOM 1087 O ASP A 70 -8.067 1.743 -26.797 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.196 2.510 -27.628 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.444 3.555 -28.454 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.431 3.166 -29.076 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.900 4.718 -28.446 1.00 0.00 O ATOM 0 H ASP A 70 -12.130 0.630 -26.295 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.013 0.793 -28.159 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.074 2.189 -28.188 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.556 2.982 -26.714 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.561 2.082 -25.133 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.564 2.533 -24.177 1.00 0.00 C ATOM 1098 C ALA A 71 -7.477 1.465 -24.038 1.00 0.00 C ATOM 1099 O ALA A 71 -6.288 1.778 -24.069 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.241 2.854 -22.844 1.00 0.00 C ATOM 0 H ALA A 71 -10.517 2.067 -24.777 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.085 3.448 -24.526 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.492 3.192 -22.128 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.982 3.639 -22.992 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.732 1.960 -22.461 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.925 0.228 -23.888 1.00 0.00 N ATOM 1107 CA ARG A 72 -7.005 -0.888 -23.743 1.00 0.00 C ATOM 1108 C ARG A 72 -6.140 -1.029 -24.997 1.00 0.00 C ATOM 1109 O ARG A 72 -4.919 -1.146 -24.903 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.760 -2.196 -23.504 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.806 -2.032 -22.399 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.574 -3.336 -22.171 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.250 -3.302 -20.855 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.606 -4.395 -20.166 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.354 -5.613 -20.662 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.215 -4.268 -18.979 1.00 0.00 N ATOM 0 H ARG A 72 -8.912 -0.027 -23.864 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.370 -0.685 -22.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.247 -2.513 -24.426 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.056 -2.981 -23.229 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.317 -1.727 -21.474 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.503 -1.238 -22.668 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.309 -3.478 -22.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.890 -4.183 -22.216 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.458 -2.390 -20.447 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.890 -5.710 -21.565 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.626 -6.444 -20.136 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.407 -3.340 -18.601 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.486 -5.099 -18.454 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.806 -1.012 -26.142 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.113 -1.136 -27.413 1.00 0.00 C ATOM 1132 C GLU A 73 -5.151 0.038 -27.611 1.00 0.00 C ATOM 1133 O GLU A 73 -4.051 -0.139 -28.131 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.107 -1.231 -28.573 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.441 -2.689 -28.891 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.530 -2.782 -29.962 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.525 -2.037 -29.825 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.343 -3.593 -30.894 1.00 0.00 O ATOM 0 H GLU A 73 -7.819 -0.914 -26.216 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.532 -2.058 -27.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.020 -0.692 -28.319 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.688 -0.749 -29.456 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.544 -3.205 -29.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.773 -3.196 -27.985 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.602 1.209 -27.184 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.794 2.410 -27.307 1.00 0.00 C ATOM 1147 C LEU A 74 -3.497 2.233 -26.514 1.00 0.00 C ATOM 1148 O LEU A 74 -2.439 2.694 -26.937 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.602 3.643 -26.896 1.00 0.00 C ATOM 1150 CG LEU A 74 -5.078 4.414 -25.684 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -4.150 5.551 -26.118 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.233 4.916 -24.813 1.00 0.00 C ATOM 0 H LEU A 74 -6.516 1.351 -26.753 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.511 2.573 -28.347 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.644 4.325 -27.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.625 3.330 -26.688 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.487 3.732 -25.073 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.791 6.084 -25.237 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.301 5.140 -26.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.696 6.241 -26.762 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.834 5.461 -23.958 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.870 5.578 -25.400 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.819 4.067 -24.461 1.00 0.00 H new ATOM 1164 N SER A 75 -3.625 1.561 -25.378 1.00 0.00 N ATOM 1165 CA SER A 75 -2.476 1.318 -24.522 1.00 0.00 C ATOM 1166 C SER A 75 -1.471 0.416 -25.240 1.00 0.00 C ATOM 1167 O SER A 75 -0.275 0.461 -24.954 1.00 0.00 O ATOM 1168 CB SER A 75 -2.903 0.686 -23.196 1.00 0.00 C ATOM 1169 OG SER A 75 -4.319 0.687 -23.034 1.00 0.00 O ATOM 0 H SER A 75 -4.505 1.178 -25.032 1.00 0.00 H new ATOM 0 HA SER A 75 -2.003 2.275 -24.302 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.534 -0.338 -23.147 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.444 1.230 -22.371 1.00 0.00 H new ATOM 0 HG SER A 75 -4.669 1.584 -23.217 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.992 -0.384 -26.160 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.154 -1.295 -26.921 1.00 0.00 C ATOM 1177 C LYS A 76 -0.141 -0.488 -27.735 1.00 0.00 C ATOM 1178 O LYS A 76 0.804 -1.051 -28.289 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.016 -2.233 -27.768 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.011 -1.807 -29.237 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.914 -2.713 -30.075 1.00 0.00 C ATOM 1182 CE LYS A 76 -3.249 -2.063 -31.419 1.00 0.00 C ATOM 1183 NZ LYS A 76 -4.459 -2.679 -32.006 1.00 0.00 N ATOM 0 H LYS A 76 -2.984 -0.420 -26.395 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.585 -1.940 -26.252 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.643 -3.253 -27.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.038 -2.234 -27.390 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.349 -0.774 -29.321 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.993 -1.842 -29.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.420 -3.670 -30.243 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.834 -2.921 -29.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.408 -0.993 -31.283 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.408 -2.175 -32.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.672 -2.226 -32.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.294 -3.695 -32.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.263 -2.550 -31.359 1.00 0.00 H new ATOM 1197 N THR A 77 -0.369 0.815 -27.782 1.00 0.00 N ATOM 1198 CA THR A 77 0.513 1.704 -28.519 1.00 0.00 C ATOM 1199 C THR A 77 1.623 2.229 -27.608 1.00 0.00 C ATOM 1200 O THR A 77 2.616 2.775 -28.085 1.00 0.00 O ATOM 1201 CB THR A 77 -0.342 2.813 -29.136 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.644 3.670 -28.039 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.710 2.307 -29.601 1.00 0.00 C ATOM 0 H THR A 77 -1.153 1.278 -27.321 1.00 0.00 H new ATOM 0 HA THR A 77 1.021 1.177 -29.327 1.00 0.00 H new ATOM 0 HB THR A 77 0.189 3.253 -29.980 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.145 3.170 -27.362 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.277 3.133 -30.031 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.574 1.530 -30.353 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.255 1.897 -28.750 1.00 0.00 H new ATOM 1211 N PHE A 78 1.418 2.047 -26.311 1.00 0.00 N ATOM 1212 CA PHE A 78 2.389 2.495 -25.329 1.00 0.00 C ATOM 1213 C PHE A 78 3.149 1.310 -24.729 1.00 0.00 C ATOM 1214 O PHE A 78 4.121 1.496 -23.998 1.00 0.00 O ATOM 1215 CB PHE A 78 1.610 3.201 -24.219 1.00 0.00 C ATOM 1216 CG PHE A 78 0.746 4.365 -24.708 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.268 4.138 -25.584 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.994 5.628 -24.269 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -1.070 5.219 -26.039 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.193 6.709 -24.723 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.822 6.482 -25.599 1.00 0.00 C ATOM 0 H PHE A 78 0.592 1.595 -25.918 1.00 0.00 H new ATOM 0 HA PHE A 78 3.116 3.157 -25.800 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.971 2.473 -23.718 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.314 3.573 -23.475 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.464 3.135 -25.934 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.801 5.809 -23.574 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.876 5.038 -26.734 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.390 7.711 -24.373 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.431 7.304 -25.945 1.00 0.00 H new ATOM 1231 N ILE A 79 2.676 0.116 -25.059 1.00 0.00 N ATOM 1232 CA ILE A 79 3.298 -1.099 -24.560 1.00 0.00 C ATOM 1233 C ILE A 79 4.770 -1.121 -24.978 1.00 0.00 C ATOM 1234 O ILE A 79 5.081 -1.149 -26.167 1.00 0.00 O ATOM 1235 CB ILE A 79 2.510 -2.328 -25.014 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.385 -2.652 -24.032 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.440 -3.524 -25.237 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.071 -4.151 -24.031 1.00 0.00 C ATOM 0 H ILE A 79 1.870 -0.035 -25.665 1.00 0.00 H new ATOM 0 HA ILE A 79 3.276 -1.120 -23.470 1.00 0.00 H new ATOM 0 HB ILE A 79 2.044 -2.100 -25.972 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.671 -2.336 -23.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.490 -2.090 -24.300 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.855 -4.385 -25.559 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.174 -3.276 -26.004 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.955 -3.763 -24.306 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.267 -4.354 -23.324 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.762 -4.459 -25.030 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.961 -4.709 -23.739 1.00 0.00 H new ATOM 1250 N ILE A 80 5.638 -1.108 -23.977 1.00 0.00 N ATOM 1251 CA ILE A 80 7.069 -1.128 -24.226 1.00 0.00 C ATOM 1252 C ILE A 80 7.629 -2.500 -23.849 1.00 0.00 C ATOM 1253 O ILE A 80 8.648 -2.929 -24.390 1.00 0.00 O ATOM 1254 CB ILE A 80 7.753 0.036 -23.504 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.833 0.641 -22.444 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.246 1.086 -24.503 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.394 1.964 -21.920 1.00 0.00 C ATOM 0 H ILE A 80 5.377 -1.084 -22.991 1.00 0.00 H new ATOM 0 HA ILE A 80 7.274 -0.981 -25.286 1.00 0.00 H new ATOM 0 HB ILE A 80 8.629 -0.352 -22.985 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.842 0.805 -22.868 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.714 -0.060 -21.618 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.728 1.902 -23.965 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.962 0.630 -25.187 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.400 1.475 -25.070 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.720 2.372 -21.167 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.374 1.793 -21.475 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.489 2.671 -22.744 1.00 0.00 H new ATOM 1269 N GLY A 81 6.940 -3.152 -22.924 1.00 0.00 N ATOM 1270 CA GLY A 81 7.356 -4.467 -22.468 1.00 0.00 C ATOM 1271 C GLY A 81 6.236 -5.158 -21.688 1.00 0.00 C ATOM 1272 O GLY A 81 5.059 -4.865 -21.896 1.00 0.00 O ATOM 0 H GLY A 81 6.096 -2.794 -22.478 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.639 -5.080 -23.324 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.240 -4.374 -21.837 1.00 0.00 H new ATOM 1276 N GLU A 82 6.640 -6.060 -20.807 1.00 0.00 N ATOM 1277 CA GLU A 82 5.686 -6.795 -19.995 1.00 0.00 C ATOM 1278 C GLU A 82 6.325 -7.213 -18.670 1.00 0.00 C ATOM 1279 O GLU A 82 7.549 -7.273 -18.560 1.00 0.00 O ATOM 1280 CB GLU A 82 5.145 -8.011 -20.750 1.00 0.00 C ATOM 1281 CG GLU A 82 5.172 -7.775 -22.263 1.00 0.00 C ATOM 1282 CD GLU A 82 4.641 -8.995 -23.018 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.357 -10.019 -23.017 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.530 -8.876 -23.576 1.00 0.00 O ATOM 0 H GLU A 82 7.617 -6.299 -20.637 1.00 0.00 H new ATOM 0 HA GLU A 82 4.844 -6.138 -19.778 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.741 -8.890 -20.505 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.124 -8.218 -20.429 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.570 -6.900 -22.509 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.192 -7.560 -22.583 1.00 0.00 H new ATOM 1291 N LEU A 83 5.469 -7.490 -17.698 1.00 0.00 N ATOM 1292 CA LEU A 83 5.936 -7.901 -16.384 1.00 0.00 C ATOM 1293 C LEU A 83 6.625 -9.263 -16.495 1.00 0.00 C ATOM 1294 O LEU A 83 6.002 -10.247 -16.890 1.00 0.00 O ATOM 1295 CB LEU A 83 4.787 -7.872 -15.375 1.00 0.00 C ATOM 1296 CG LEU A 83 5.189 -7.939 -13.899 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.682 -8.241 -13.750 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.786 -6.660 -13.164 1.00 0.00 C ATOM 0 H LEU A 83 4.455 -7.438 -17.793 1.00 0.00 H new ATOM 0 HA LEU A 83 6.679 -7.199 -16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.213 -6.959 -15.534 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.121 -8.708 -15.588 1.00 0.00 H new ATOM 0 HG LEU A 83 4.647 -8.762 -13.434 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.941 -8.283 -12.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.908 -9.200 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.262 -7.456 -14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.083 -6.733 -12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.282 -5.805 -13.623 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.706 -6.529 -13.227 1.00 0.00 H new ATOM 1310 N HIS A 84 7.901 -9.275 -16.138 1.00 0.00 N ATOM 1311 CA HIS A 84 8.681 -10.500 -16.192 1.00 0.00 C ATOM 1312 C HIS A 84 8.121 -11.510 -15.187 1.00 0.00 C ATOM 1313 O HIS A 84 7.103 -11.254 -14.547 1.00 0.00 O ATOM 1314 CB HIS A 84 10.167 -10.209 -15.974 1.00 0.00 C ATOM 1315 CG HIS A 84 11.057 -10.682 -17.098 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.437 -10.581 -17.055 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.751 -11.264 -18.293 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.927 -11.080 -18.180 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.881 -11.501 -18.947 1.00 0.00 N ATOM 0 H HIS A 84 8.414 -8.456 -15.810 1.00 0.00 H new ATOM 0 HA HIS A 84 8.599 -10.943 -17.184 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.301 -9.135 -15.845 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.487 -10.684 -15.046 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.757 -11.493 -18.647 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.972 -11.143 -18.444 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.955 -11.928 -19.871 1.00 0.00 H new ATOM 1328 N PRO A 85 8.830 -12.665 -15.078 1.00 0.00 N ATOM 1329 CA PRO A 85 8.415 -13.715 -14.162 1.00 0.00 C ATOM 1330 C PRO A 85 8.739 -13.337 -12.715 1.00 0.00 C ATOM 1331 O PRO A 85 8.684 -14.182 -11.823 1.00 0.00 O ATOM 1332 CB PRO A 85 9.151 -14.959 -14.631 1.00 0.00 C ATOM 1333 CG PRO A 85 10.298 -14.465 -15.495 1.00 0.00 C ATOM 1334 CD PRO A 85 10.040 -13.001 -15.821 1.00 0.00 C ATOM 0 HA PRO A 85 7.338 -13.880 -14.170 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.521 -15.536 -13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.489 -15.614 -15.198 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.247 -14.578 -14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.368 -15.053 -16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.878 -12.374 -15.518 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.902 -12.852 -16.892 1.00 0.00 H new ATOM 1342 N ASP A 86 9.070 -12.069 -12.527 1.00 0.00 N ATOM 1343 CA ASP A 86 9.403 -11.571 -11.203 1.00 0.00 C ATOM 1344 C ASP A 86 8.114 -11.328 -10.416 1.00 0.00 C ATOM 1345 O ASP A 86 8.113 -11.386 -9.186 1.00 0.00 O ATOM 1346 CB ASP A 86 10.161 -10.245 -11.288 1.00 0.00 C ATOM 1347 CG ASP A 86 9.755 -9.201 -10.247 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.983 -9.475 -9.049 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.228 -8.150 -10.673 1.00 0.00 O ATOM 0 H ASP A 86 9.115 -11.371 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 86 10.030 -12.314 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.227 -10.446 -11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.013 -9.822 -12.282 1.00 0.00 H new ATOM 1354 N ASP A 87 7.048 -11.063 -11.154 1.00 0.00 N ATOM 1355 CA ASP A 87 5.755 -10.812 -10.541 1.00 0.00 C ATOM 1356 C ASP A 87 4.665 -10.873 -11.612 1.00 0.00 C ATOM 1357 O ASP A 87 3.987 -9.880 -11.871 1.00 0.00 O ATOM 1358 CB ASP A 87 5.710 -9.424 -9.901 1.00 0.00 C ATOM 1359 CG ASP A 87 6.264 -9.348 -8.476 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.474 -9.619 -7.545 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.465 -9.025 -8.350 1.00 0.00 O ATOM 0 H ASP A 87 7.053 -11.016 -12.173 1.00 0.00 H new ATOM 0 HA ASP A 87 5.594 -11.570 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.271 -8.733 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.676 -9.079 -9.891 1.00 0.00 H new ATOM 1366 N ARG A 88 4.531 -12.049 -12.207 1.00 0.00 N ATOM 1367 CA ARG A 88 3.536 -12.255 -13.246 1.00 0.00 C ATOM 1368 C ARG A 88 2.143 -12.393 -12.626 1.00 0.00 C ATOM 1369 O ARG A 88 1.372 -11.435 -12.602 1.00 0.00 O ATOM 1370 CB ARG A 88 3.847 -13.505 -14.069 1.00 0.00 C ATOM 1371 CG ARG A 88 5.169 -13.350 -14.824 1.00 0.00 C ATOM 1372 CD ARG A 88 4.963 -12.607 -16.145 1.00 0.00 C ATOM 1373 NE ARG A 88 4.068 -13.385 -17.030 1.00 0.00 N ATOM 1374 CZ ARG A 88 2.739 -13.221 -17.086 1.00 0.00 C ATOM 1375 NH1 ARG A 88 2.143 -12.308 -16.309 1.00 0.00 N ATOM 1376 NH2 ARG A 88 2.007 -13.973 -17.920 1.00 0.00 N ATOM 0 H ARG A 88 5.096 -12.870 -11.989 1.00 0.00 H new ATOM 0 HA ARG A 88 3.561 -11.387 -13.905 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.899 -14.373 -13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.039 -13.689 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.884 -12.807 -14.205 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.598 -14.333 -15.019 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.534 -11.623 -15.955 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.923 -12.447 -16.635 1.00 0.00 H new ATOM 0 HE ARG A 88 4.489 -14.090 -17.635 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.700 -11.737 -15.674 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.132 -12.184 -16.352 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.462 -14.669 -18.511 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.995 -13.849 -17.964 1.00 0.00 H new ATOM 1390 N SER A 89 1.864 -13.594 -12.141 1.00 0.00 N ATOM 1391 CA SER A 89 0.579 -13.871 -11.522 1.00 0.00 C ATOM 1392 C SER A 89 0.373 -12.958 -10.313 1.00 0.00 C ATOM 1393 O SER A 89 -0.727 -12.887 -9.764 1.00 0.00 O ATOM 1394 CB SER A 89 0.473 -15.338 -11.104 1.00 0.00 C ATOM 1395 OG SER A 89 -0.833 -15.668 -10.639 1.00 0.00 O ATOM 0 H SER A 89 2.506 -14.386 -12.164 1.00 0.00 H new ATOM 0 HA SER A 89 -0.203 -13.674 -12.255 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.728 -15.975 -11.951 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.200 -15.545 -10.319 1.00 0.00 H new ATOM 0 HG SER A 89 -1.287 -14.855 -10.333 1.00 0.00 H new ATOM 1401 N LYS A 90 1.446 -12.280 -9.933 1.00 0.00 N ATOM 1402 CA LYS A 90 1.395 -11.376 -8.797 1.00 0.00 C ATOM 1403 C LYS A 90 0.585 -10.135 -9.175 1.00 0.00 C ATOM 1404 O LYS A 90 0.157 -9.380 -8.304 1.00 0.00 O ATOM 1405 CB LYS A 90 2.809 -11.058 -8.303 1.00 0.00 C ATOM 1406 CG LYS A 90 3.057 -11.672 -6.923 1.00 0.00 C ATOM 1407 CD LYS A 90 4.366 -12.466 -6.903 1.00 0.00 C ATOM 1408 CE LYS A 90 4.734 -12.879 -5.477 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.619 -14.347 -5.316 1.00 0.00 N ATOM 0 H LYS A 90 2.355 -12.339 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 90 0.885 -11.848 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.541 -11.442 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.947 -9.978 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.094 -10.883 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.227 -12.326 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.267 -13.353 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.168 -11.863 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.752 -12.561 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.078 -12.377 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.872 -14.610 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.641 -14.642 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.263 -14.821 -5.981 1.00 0.00 H new ATOM 1423 N ILE A 91 0.398 -9.963 -10.475 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.354 -8.825 -10.980 1.00 0.00 C ATOM 1425 C ILE A 91 -1.328 -9.303 -12.059 1.00 0.00 C ATOM 1426 O ILE A 91 -2.495 -8.918 -12.061 1.00 0.00 O ATOM 1427 CB ILE A 91 0.595 -7.721 -11.451 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.896 -7.858 -12.945 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.871 -7.699 -10.608 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.843 -6.753 -13.417 1.00 0.00 C ATOM 0 H ILE A 91 0.754 -10.592 -11.195 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.952 -8.379 -10.185 1.00 0.00 H new ATOM 0 HB ILE A 91 0.100 -6.760 -11.309 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.342 -8.833 -13.142 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.033 -7.812 -13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.528 -6.905 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.614 -7.517 -9.564 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.381 -8.658 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.041 -6.874 -14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.384 -5.780 -13.241 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.780 -6.817 -12.865 1.00 0.00 H new ATOM 1442 N THR A 92 -0.810 -10.134 -12.952 1.00 0.00 N ATOM 1443 CA THR A 92 -1.619 -10.668 -14.035 1.00 0.00 C ATOM 1444 C THR A 92 -3.037 -10.969 -13.544 1.00 0.00 C ATOM 1445 O THR A 92 -3.994 -10.883 -14.310 1.00 0.00 O ATOM 1446 CB THR A 92 -0.900 -11.892 -14.603 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.136 -11.814 -16.005 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.563 -13.207 -14.186 1.00 0.00 C ATOM 0 H THR A 92 0.160 -10.451 -12.948 1.00 0.00 H new ATOM 0 HA THR A 92 -1.735 -9.940 -14.838 1.00 0.00 H new ATOM 0 HB THR A 92 0.139 -11.888 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.843 -12.646 -16.433 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.013 -14.044 -14.616 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.557 -13.289 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.592 -13.226 -14.545 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.126 -11.314 -12.267 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.410 -11.627 -11.664 1.00 0.00 C ATOM 1458 C LYS A 93 -4.833 -10.477 -10.748 1.00 0.00 C ATOM 1459 O LYS A 93 -4.174 -10.203 -9.746 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.354 -12.985 -10.961 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.757 -13.570 -10.787 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.787 -14.592 -9.649 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.142 -15.300 -9.583 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.054 -16.512 -8.738 1.00 0.00 N ATOM 0 H LYS A 93 -2.329 -11.383 -11.634 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.178 -11.722 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.738 -13.673 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.879 -12.875 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.466 -12.769 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.075 -14.045 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.995 -15.327 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.587 -14.092 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.894 -14.622 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.466 -15.573 -10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.982 -16.980 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.351 -17.165 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.766 -16.244 -7.775 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.958 -9.819 -11.135 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.477 -8.705 -10.360 1.00 0.00 C ATOM 1480 C PRO A 94 -7.161 -9.198 -9.083 1.00 0.00 C ATOM 1481 O PRO A 94 -7.121 -10.386 -8.771 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.425 -7.979 -11.299 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.758 -8.970 -12.403 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.764 -10.116 -12.315 1.00 0.00 C ATOM 0 HA PRO A 94 -5.692 -8.033 -10.012 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.326 -7.661 -10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.960 -7.082 -11.707 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.777 -9.339 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.700 -8.488 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.273 -11.075 -12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.147 -10.174 -13.212 1.00 0.00 H new ATOM 1492 N SER A 95 -7.774 -8.257 -8.378 1.00 0.00 N ATOM 1493 CA SER A 95 -8.465 -8.580 -7.142 1.00 0.00 C ATOM 1494 C SER A 95 -9.911 -8.081 -7.206 1.00 0.00 C ATOM 1495 O SER A 95 -10.217 -7.148 -7.945 1.00 0.00 O ATOM 1496 CB SER A 95 -7.749 -7.974 -5.933 1.00 0.00 C ATOM 1497 OG SER A 95 -7.986 -8.718 -4.742 1.00 0.00 O ATOM 0 H SER A 95 -7.806 -7.272 -8.640 1.00 0.00 H new ATOM 0 HA SER A 95 -8.464 -9.664 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.677 -7.935 -6.129 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.084 -6.947 -5.791 1.00 0.00 H new ATOM 0 HG SER A 95 -7.510 -8.299 -3.995 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.762 -8.727 -6.420 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.166 -8.361 -6.379 1.00 0.00 C ATOM 1505 C GLU A 96 -12.517 -7.756 -5.017 1.00 0.00 C ATOM 1506 O GLU A 96 -11.707 -7.789 -4.092 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.057 -9.567 -6.687 1.00 0.00 C ATOM 1508 CG GLU A 96 -12.887 -10.660 -5.630 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.231 -11.301 -5.284 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.227 -10.546 -5.243 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.234 -12.532 -5.069 1.00 0.00 O ATOM 0 H GLU A 96 -10.505 -9.501 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.348 -7.610 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.100 -9.252 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.808 -9.966 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.200 -11.423 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.440 -10.235 -4.731 1.00 0.00 H new ATOM 1518 N SER A 97 -13.724 -7.217 -4.939 1.00 0.00 N ATOM 1519 CA SER A 97 -14.193 -6.604 -3.707 1.00 0.00 C ATOM 1520 C SER A 97 -15.722 -6.633 -3.655 1.00 0.00 C ATOM 1521 O SER A 97 -16.376 -6.852 -4.674 1.00 0.00 O ATOM 1522 CB SER A 97 -13.684 -5.168 -3.578 1.00 0.00 C ATOM 1523 OG SER A 97 -12.691 -5.041 -2.563 1.00 0.00 O ATOM 0 H SER A 97 -14.392 -7.192 -5.709 1.00 0.00 H new ATOM 0 HA SER A 97 -13.798 -7.177 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.270 -4.843 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.520 -4.506 -3.352 1.00 0.00 H new ATOM 0 HG SER A 97 -12.391 -4.109 -2.514 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.246 -6.411 -2.460 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.685 -6.409 -2.262 1.00 0.00 C ATOM 1531 C ILE A 98 -18.117 -5.051 -1.704 1.00 0.00 C ATOM 1532 O ILE A 98 -17.281 -4.261 -1.268 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.108 -7.594 -1.393 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.627 -7.784 -1.426 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -17.583 -7.442 0.035 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.998 -9.258 -1.259 1.00 0.00 C ATOM 0 H ILE A 98 -15.700 -6.231 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 98 -18.201 -6.542 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 98 -17.660 -8.497 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -20.088 -7.197 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -20.024 -7.410 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.898 -8.298 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.494 -7.392 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.982 -6.527 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -21.082 -9.366 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -19.555 -9.839 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.621 -9.622 -0.303 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.421 -4.822 -1.734 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.975 -3.574 -1.236 1.00 0.00 C ATOM 1550 C ILE A 99 -20.996 -3.876 -0.137 1.00 0.00 C ATOM 1551 O ILE A 99 -20.910 -3.331 0.962 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.539 -2.740 -2.389 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -20.987 -1.362 -1.899 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -21.665 -3.488 -3.106 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -20.432 -0.255 -2.799 1.00 0.00 C ATOM 0 H ILE A 99 -20.111 -5.480 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.193 -2.963 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.744 -2.580 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.076 -1.313 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.648 -1.208 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -22.049 -2.874 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -21.281 -4.425 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.469 -3.698 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.765 0.715 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -19.343 -0.292 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.793 -0.399 -3.817 1.00 0.00 H new ATOM 1567 N THR A 100 -21.940 -4.743 -0.473 1.00 0.00 N ATOM 1568 CA THR A 100 -22.976 -5.123 0.471 1.00 0.00 C ATOM 1569 C THR A 100 -23.771 -3.894 0.915 1.00 0.00 C ATOM 1570 O THR A 100 -23.244 -2.783 0.934 1.00 0.00 O ATOM 1571 CB THR A 100 -22.309 -5.867 1.632 1.00 0.00 C ATOM 1572 OG1 THR A 100 -21.982 -7.142 1.085 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.289 -6.187 2.763 1.00 0.00 C ATOM 0 H THR A 100 -22.009 -5.193 -1.386 1.00 0.00 H new ATOM 0 HA THR A 100 -23.703 -5.792 0.011 1.00 0.00 H new ATOM 0 HB THR A 100 -21.487 -5.267 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.544 -7.689 1.770 1.00 0.00 H new ATOM 0 HG21 THR A 100 -22.765 -6.714 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.707 -5.260 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.094 -6.815 2.380 1.00 0.00 H new ATOM 1581 N THR A 101 -25.028 -4.135 1.259 1.00 0.00 N ATOM 1582 CA THR A 101 -25.901 -3.061 1.700 1.00 0.00 C ATOM 1583 C THR A 101 -27.110 -3.629 2.447 1.00 0.00 C ATOM 1584 O THR A 101 -27.627 -4.686 2.085 1.00 0.00 O ATOM 1585 CB THR A 101 -26.280 -2.226 0.476 1.00 0.00 C ATOM 1586 OG1 THR A 101 -27.055 -1.157 1.012 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.248 -2.958 -0.455 1.00 0.00 C ATOM 0 H THR A 101 -25.462 -5.058 1.241 1.00 0.00 H new ATOM 0 HA THR A 101 -25.396 -2.408 2.412 1.00 0.00 H new ATOM 0 HB THR A 101 -25.378 -1.960 -0.075 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.341 -0.564 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 101 -27.485 -2.321 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.786 -3.880 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.164 -3.195 0.086 1.00 0.00 H new ATOM 1595 N ILE A 102 -27.526 -2.904 3.475 1.00 0.00 N ATOM 1596 CA ILE A 102 -28.664 -3.322 4.275 1.00 0.00 C ATOM 1597 C ILE A 102 -29.077 -2.179 5.203 1.00 0.00 C ATOM 1598 O ILE A 102 -28.229 -1.551 5.837 1.00 0.00 O ATOM 1599 CB ILE A 102 -28.353 -4.629 5.007 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -29.626 -5.250 5.585 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -27.281 -4.414 6.079 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -29.647 -6.763 5.362 1.00 0.00 C ATOM 0 H ILE A 102 -27.095 -2.029 3.772 1.00 0.00 H new ATOM 0 HA ILE A 102 -29.520 -3.538 3.636 1.00 0.00 H new ATOM 0 HB ILE A 102 -27.949 -5.338 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -29.688 -5.035 6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -30.500 -4.798 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -27.078 -5.358 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -26.367 -4.049 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -27.634 -3.682 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -30.562 -7.180 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -29.609 -6.974 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -28.784 -7.215 5.851 1.00 0.00 H new ATOM 1614 N ASP A 103 -30.380 -1.942 5.255 1.00 0.00 N ATOM 1615 CA ASP A 103 -30.915 -0.886 6.097 1.00 0.00 C ATOM 1616 C ASP A 103 -32.418 -0.751 5.845 1.00 0.00 C ATOM 1617 O ASP A 103 -32.926 -1.229 4.831 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.259 0.459 5.778 1.00 0.00 C ATOM 1619 CG ASP A 103 -29.875 1.298 6.999 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -30.727 1.401 7.907 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -28.738 1.817 6.996 1.00 0.00 O ATOM 0 H ASP A 103 -31.080 -2.463 4.728 1.00 0.00 H new ATOM 0 HA ASP A 103 -30.713 -1.148 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -29.363 0.277 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -30.940 1.040 5.157 1.00 0.00 H new