USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 968 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: B 21 ASN : amide:sc= 0.29 K(o=-0.33,f=-5.5!) USER MOD Set 1.2: B 27 LYS NZ :NH3+ -152:sc= -0.622! (180deg=-1.81!) USER MOD Set 2.1: B 14 HIS : no HE2:sc= -0.363 X(o=0.25,f=0.34) USER MOD Set 2.2: B 17 THR OG1 : rot -91:sc= 0.614 USER MOD Set 3.1: A 8 THR OG1 : rot 132:sc= -1.14! USER MOD Set 3.2: A 35 ASN : amide:sc= -1.02! K(o=-2.2!,f=-0.43) USER MOD Single : A 14 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.0066) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -9:sc= 0.95 USER MOD Single : A 21 ASN : amide:sc= 0.116 K(o=0.12,f=-0.41) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.9 (180deg=0.965!) USER MOD Single : A 30 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.56) USER MOD Single : A 33 SER OG : rot 74:sc= 1.98 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -71:sc= 1.12 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -80:sc= 1.29 USER MOD Single : A 60 SER OG : rot -84:sc= 0.791 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 59:sc= 1.29 USER MOD Single : A 67 MET CE :methyl -159:sc= -0.0224 (180deg=-1.08) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.27) USER MOD Single : B 8 THR OG1 : rot 31:sc= 0.188 USER MOD Single : B 19 SER OG : rot 180:sc= -0.308 USER MOD Single : B 23 LYS NZ :NH3+ -146:sc= 1.24 (180deg=-0.598) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.84) USER MOD Single : B 33 SER OG : rot -165:sc= 0.0556 USER MOD Single : B 35 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.2!) USER MOD Single : B 40 LYS NZ :NH3+ 167:sc= -0.0287 (180deg=-0.221) USER MOD Single : B 47 SER OG : rot 125:sc= 1.96 USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 SER OG : rot -75:sc= 0.0129 USER MOD Single : B 61 ASN : amide:sc= -0.833 K(o=-0.83,f=0) USER MOD Single : B 65 GLN : amide:sc= 1.78 K(o=1.8,f=-0.095) USER MOD Single : B 66 THR OG1 : rot 77:sc= 0.373 USER MOD Single : B 67 MET CE :methyl -164:sc= -0.393 (180deg=-1.06) USER MOD Single : B 72 LYS NZ :NH3+ -145:sc= 0.381 (180deg=0.0327) USER MOD Single : B 74 ASN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 11.838 8.694 -16.485 1.00 0.00 N ATOM 127 CA THR A 8 13.009 8.195 -15.791 1.00 0.00 C ATOM 128 C THR A 8 12.668 7.959 -14.326 1.00 0.00 C ATOM 129 O THR A 8 12.179 8.864 -13.644 1.00 0.00 O ATOM 130 CB THR A 8 14.197 9.175 -15.910 1.00 0.00 C ATOM 131 OG1 THR A 8 13.773 10.514 -15.605 1.00 0.00 O ATOM 132 CG2 THR A 8 14.792 9.137 -17.308 1.00 0.00 C ATOM 0 HA THR A 8 13.309 7.255 -16.255 1.00 0.00 H new ATOM 0 HB THR A 8 14.960 8.866 -15.195 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.402 10.920 -14.972 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.627 9.835 -17.367 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.146 8.129 -17.526 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.031 9.419 -18.035 1.00 0.00 H new ATOM 140 N PHE A 9 12.883 6.740 -13.853 1.00 0.00 N ATOM 141 CA PHE A 9 12.545 6.399 -12.483 1.00 0.00 C ATOM 142 C PHE A 9 13.801 6.207 -11.641 1.00 0.00 C ATOM 143 O PHE A 9 14.651 5.364 -11.936 1.00 0.00 O ATOM 144 CB PHE A 9 11.646 5.150 -12.433 1.00 0.00 C ATOM 145 CG PHE A 9 12.166 3.961 -13.199 1.00 0.00 C ATOM 146 CD1 PHE A 9 11.914 3.829 -14.557 1.00 0.00 C ATOM 147 CD2 PHE A 9 12.900 2.972 -12.563 1.00 0.00 C ATOM 148 CE1 PHE A 9 12.383 2.738 -15.263 1.00 0.00 C ATOM 149 CE2 PHE A 9 13.370 1.877 -13.263 1.00 0.00 C ATOM 150 CZ PHE A 9 13.115 1.761 -14.617 1.00 0.00 C ATOM 0 H PHE A 9 13.287 5.976 -14.395 1.00 0.00 H new ATOM 0 HA PHE A 9 11.984 7.231 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.509 4.861 -11.391 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.663 5.413 -12.823 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.343 4.590 -15.069 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.107 3.058 -11.507 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.177 2.649 -16.320 1.00 0.00 H new ATOM 0 HE2 PHE A 9 13.936 1.112 -12.753 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.487 0.909 -15.167 1.00 0.00 H new ATOM 160 N GLU A 10 13.919 7.012 -10.600 1.00 0.00 N ATOM 161 CA GLU A 10 15.044 6.917 -9.689 1.00 0.00 C ATOM 162 C GLU A 10 14.608 6.265 -8.382 1.00 0.00 C ATOM 163 O GLU A 10 13.840 6.847 -7.620 1.00 0.00 O ATOM 164 CB GLU A 10 15.629 8.305 -9.393 1.00 0.00 C ATOM 165 CG GLU A 10 16.397 8.936 -10.550 1.00 0.00 C ATOM 166 CD GLU A 10 15.510 9.540 -11.625 1.00 0.00 C ATOM 167 OE1 GLU A 10 15.030 10.680 -11.437 1.00 0.00 O ATOM 168 OE2 GLU A 10 15.331 8.901 -12.682 1.00 0.00 O ATOM 0 H GLU A 10 13.246 7.741 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 10 15.811 6.306 -10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.816 8.973 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.294 8.227 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.053 9.712 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.036 8.179 -11.004 1.00 0.00 H new ATOM 175 N ILE A 11 15.091 5.061 -8.129 1.00 0.00 N ATOM 176 CA ILE A 11 14.807 4.377 -6.877 1.00 0.00 C ATOM 177 C ILE A 11 15.863 4.766 -5.852 1.00 0.00 C ATOM 178 O ILE A 11 16.999 4.298 -5.905 1.00 0.00 O ATOM 179 CB ILE A 11 14.778 2.843 -7.049 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.833 2.459 -8.193 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.347 2.171 -5.750 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.834 0.983 -8.520 1.00 0.00 C ATOM 0 H ILE A 11 15.682 4.536 -8.773 1.00 0.00 H new ATOM 0 HA ILE A 11 13.817 4.682 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 11 15.782 2.498 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.819 2.762 -7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.113 3.019 -9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.331 1.090 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.051 2.426 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.350 2.516 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.141 0.791 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.838 0.676 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.524 0.416 -7.642 1.00 0.00 H new ATOM 194 N GLU A 12 15.488 5.644 -4.936 1.00 0.00 N ATOM 195 CA GLU A 12 16.457 6.272 -4.048 1.00 0.00 C ATOM 196 C GLU A 12 16.498 5.607 -2.672 1.00 0.00 C ATOM 197 O GLU A 12 17.551 5.542 -2.038 1.00 0.00 O ATOM 198 CB GLU A 12 16.121 7.759 -3.891 1.00 0.00 C ATOM 199 CG GLU A 12 15.956 8.496 -5.215 1.00 0.00 C ATOM 200 CD GLU A 12 17.227 8.531 -6.037 1.00 0.00 C ATOM 201 OE1 GLU A 12 17.497 7.562 -6.775 1.00 0.00 O ATOM 202 OE2 GLU A 12 17.960 9.539 -5.957 1.00 0.00 O ATOM 0 H GLU A 12 14.523 5.938 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 12 17.442 6.152 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.200 7.855 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.910 8.241 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.168 8.016 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.630 9.517 -5.018 1.00 0.00 H new ATOM 209 N GLU A 13 15.360 5.107 -2.215 1.00 0.00 N ATOM 210 CA GLU A 13 15.254 4.596 -0.854 1.00 0.00 C ATOM 211 C GLU A 13 14.340 3.379 -0.795 1.00 0.00 C ATOM 212 O GLU A 13 13.321 3.328 -1.479 1.00 0.00 O ATOM 213 CB GLU A 13 14.707 5.699 0.059 1.00 0.00 C ATOM 214 CG GLU A 13 14.691 5.345 1.538 1.00 0.00 C ATOM 215 CD GLU A 13 16.080 5.182 2.120 1.00 0.00 C ATOM 216 OE1 GLU A 13 16.738 6.206 2.393 1.00 0.00 O ATOM 217 OE2 GLU A 13 16.517 4.029 2.311 1.00 0.00 O ATOM 0 H GLU A 13 14.501 5.044 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 13 16.245 4.292 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.307 6.598 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.692 5.942 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.162 6.124 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.133 4.420 1.679 1.00 0.00 H new ATOM 224 N HIS A 14 14.714 2.401 0.018 1.00 0.00 N ATOM 225 CA HIS A 14 13.860 1.247 0.275 1.00 0.00 C ATOM 226 C HIS A 14 13.295 1.359 1.683 1.00 0.00 C ATOM 227 O HIS A 14 13.978 1.042 2.655 1.00 0.00 O ATOM 228 CB HIS A 14 14.634 -0.070 0.134 1.00 0.00 C ATOM 229 CG HIS A 14 15.258 -0.281 -1.209 1.00 0.00 C ATOM 230 ND1 HIS A 14 16.620 -0.331 -1.392 1.00 0.00 N ATOM 231 CD2 HIS A 14 14.707 -0.475 -2.430 1.00 0.00 C ATOM 232 CE1 HIS A 14 16.884 -0.546 -2.666 1.00 0.00 C ATOM 233 NE2 HIS A 14 15.740 -0.640 -3.320 1.00 0.00 N ATOM 0 H HIS A 14 15.606 2.383 0.513 1.00 0.00 H new ATOM 0 HA HIS A 14 13.056 1.240 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.416 -0.101 0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.957 -0.899 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.652 -0.496 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.869 -0.631 -3.101 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.640 -0.808 -4.321 1.00 0.00 H new ATOM 242 N LEU A 15 12.060 1.832 1.793 1.00 0.00 N ATOM 243 CA LEU A 15 11.461 2.124 3.090 1.00 0.00 C ATOM 244 C LEU A 15 11.174 0.854 3.877 1.00 0.00 C ATOM 245 O LEU A 15 11.797 0.592 4.905 1.00 0.00 O ATOM 246 CB LEU A 15 10.163 2.914 2.909 1.00 0.00 C ATOM 247 CG LEU A 15 10.327 4.317 2.335 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.970 4.916 2.020 1.00 0.00 C ATOM 249 CD2 LEU A 15 11.075 5.205 3.315 1.00 0.00 C ATOM 0 H LEU A 15 11.451 2.022 0.997 1.00 0.00 H new ATOM 0 HA LEU A 15 12.180 2.719 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.501 2.347 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.666 2.991 3.876 1.00 0.00 H new ATOM 0 HG LEU A 15 10.905 4.250 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.101 5.918 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.457 4.290 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.376 4.971 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.184 6.203 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.517 5.267 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.061 4.783 3.509 1.00 0.00 H new ATOM 261 N LEU A 16 10.242 0.060 3.382 1.00 0.00 N ATOM 262 CA LEU A 16 9.756 -1.082 4.132 1.00 0.00 C ATOM 263 C LEU A 16 9.675 -2.317 3.247 1.00 0.00 C ATOM 264 O LEU A 16 8.888 -2.364 2.303 1.00 0.00 O ATOM 265 CB LEU A 16 8.373 -0.767 4.702 1.00 0.00 C ATOM 266 CG LEU A 16 8.035 -1.391 6.060 1.00 0.00 C ATOM 267 CD1 LEU A 16 6.614 -1.044 6.442 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.217 -2.899 6.056 1.00 0.00 C ATOM 0 H LEU A 16 9.808 0.185 2.467 1.00 0.00 H new ATOM 0 HA LEU A 16 10.453 -1.286 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.279 0.315 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.624 -1.094 3.981 1.00 0.00 H new ATOM 0 HG LEU A 16 8.727 -0.980 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.378 -1.490 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.509 0.039 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.930 -1.431 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.966 -3.298 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.562 -3.343 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.254 -3.140 5.820 1.00 0.00 H new ATOM 280 N THR A 17 10.485 -3.306 3.554 1.00 0.00 N ATOM 281 CA THR A 17 10.411 -4.584 2.874 1.00 0.00 C ATOM 282 C THR A 17 9.394 -5.466 3.579 1.00 0.00 C ATOM 283 O THR A 17 9.636 -5.932 4.693 1.00 0.00 O ATOM 284 CB THR A 17 11.778 -5.288 2.848 1.00 0.00 C ATOM 285 OG1 THR A 17 12.769 -4.397 2.322 1.00 0.00 O ATOM 286 CG2 THR A 17 11.724 -6.550 1.999 1.00 0.00 C ATOM 0 H THR A 17 11.206 -3.251 4.273 1.00 0.00 H new ATOM 0 HA THR A 17 10.106 -4.408 1.842 1.00 0.00 H new ATOM 0 HB THR A 17 12.039 -5.569 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.639 -4.847 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.703 -7.029 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.985 -7.236 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.445 -6.290 0.978 1.00 0.00 H new ATOM 294 N LEU A 18 8.244 -5.659 2.951 1.00 0.00 N ATOM 295 CA LEU A 18 7.176 -6.440 3.553 1.00 0.00 C ATOM 296 C LEU A 18 7.538 -7.917 3.573 1.00 0.00 C ATOM 297 O LEU A 18 7.888 -8.466 4.619 1.00 0.00 O ATOM 298 CB LEU A 18 5.865 -6.232 2.795 1.00 0.00 C ATOM 299 CG LEU A 18 5.363 -4.787 2.747 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.094 -4.695 1.920 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.124 -4.249 4.152 1.00 0.00 C ATOM 0 H LEU A 18 8.027 -5.286 2.027 1.00 0.00 H new ATOM 0 HA LEU A 18 7.044 -6.099 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.994 -6.589 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.096 -6.852 3.255 1.00 0.00 H new ATOM 0 HG LEU A 18 6.131 -4.174 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.750 -3.661 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.296 -5.034 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.323 -5.324 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.768 -3.221 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.377 -4.863 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.056 -4.278 4.716 1.00 0.00 H new ATOM 313 N SER A 19 7.475 -8.546 2.406 1.00 0.00 N ATOM 314 CA SER A 19 7.751 -9.974 2.278 1.00 0.00 C ATOM 315 C SER A 19 7.949 -10.334 0.814 1.00 0.00 C ATOM 316 O SER A 19 7.576 -9.566 -0.076 1.00 0.00 O ATOM 317 CB SER A 19 6.599 -10.810 2.861 1.00 0.00 C ATOM 318 OG SER A 19 6.458 -10.609 4.259 1.00 0.00 O ATOM 0 H SER A 19 7.233 -8.087 1.528 1.00 0.00 H new ATOM 0 HA SER A 19 8.660 -10.197 2.836 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.668 -10.545 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.779 -11.866 2.662 1.00 0.00 H new ATOM 0 HG SER A 19 7.220 -10.092 4.594 1.00 0.00 H new ATOM 324 N GLU A 20 8.548 -11.486 0.559 1.00 0.00 N ATOM 325 CA GLU A 20 8.656 -11.983 -0.798 1.00 0.00 C ATOM 326 C GLU A 20 7.678 -13.129 -1.011 1.00 0.00 C ATOM 327 O GLU A 20 7.456 -13.953 -0.122 1.00 0.00 O ATOM 328 CB GLU A 20 10.088 -12.410 -1.133 1.00 0.00 C ATOM 329 CG GLU A 20 10.601 -13.584 -0.321 1.00 0.00 C ATOM 330 CD GLU A 20 11.976 -14.020 -0.771 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.082 -14.642 -1.852 1.00 0.00 O ATOM 332 OE2 GLU A 20 12.963 -13.728 -0.061 1.00 0.00 O ATOM 0 H GLU A 20 8.963 -12.089 1.270 1.00 0.00 H new ATOM 0 HA GLU A 20 8.399 -11.171 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.139 -12.667 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.753 -11.560 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.634 -13.310 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.907 -14.420 -0.412 1.00 0.00 H new ATOM 339 N ASN A 21 7.094 -13.160 -2.188 1.00 0.00 N ATOM 340 CA ASN A 21 6.041 -14.103 -2.515 1.00 0.00 C ATOM 341 C ASN A 21 6.557 -15.200 -3.440 1.00 0.00 C ATOM 342 O ASN A 21 7.236 -14.919 -4.437 1.00 0.00 O ATOM 343 CB ASN A 21 4.874 -13.348 -3.170 1.00 0.00 C ATOM 344 CG ASN A 21 3.834 -14.262 -3.791 1.00 0.00 C ATOM 345 OD1 ASN A 21 2.900 -14.708 -3.127 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.976 -14.513 -5.082 1.00 0.00 N ATOM 0 H ASN A 21 7.336 -12.529 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 21 5.695 -14.582 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.393 -12.719 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.268 -12.683 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.295 -15.098 -5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.767 -14.122 -5.594 1.00 0.00 H new ATOM 353 N GLU A 22 6.254 -16.448 -3.072 1.00 0.00 N ATOM 354 CA GLU A 22 6.569 -17.627 -3.888 1.00 0.00 C ATOM 355 C GLU A 22 8.072 -17.784 -4.122 1.00 0.00 C ATOM 356 O GLU A 22 8.486 -18.493 -5.042 1.00 0.00 O ATOM 357 CB GLU A 22 5.833 -17.566 -5.230 1.00 0.00 C ATOM 358 CG GLU A 22 4.324 -17.667 -5.094 1.00 0.00 C ATOM 359 CD GLU A 22 3.606 -17.558 -6.425 1.00 0.00 C ATOM 360 OE1 GLU A 22 3.701 -18.505 -7.231 1.00 0.00 O ATOM 361 OE2 GLU A 22 2.924 -16.536 -6.659 1.00 0.00 O ATOM 0 H GLU A 22 5.781 -16.671 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 22 6.230 -18.500 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.084 -16.631 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.188 -18.375 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.069 -18.617 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.970 -16.879 -4.430 1.00 0.00 H new ATOM 368 N LYS A 23 8.871 -17.161 -3.257 1.00 0.00 N ATOM 369 CA LYS A 23 10.331 -17.180 -3.368 1.00 0.00 C ATOM 370 C LYS A 23 10.795 -16.540 -4.677 1.00 0.00 C ATOM 371 O LYS A 23 10.834 -17.190 -5.725 1.00 0.00 O ATOM 372 CB LYS A 23 10.873 -18.609 -3.268 1.00 0.00 C ATOM 373 CG LYS A 23 10.488 -19.327 -1.985 1.00 0.00 C ATOM 374 CD LYS A 23 10.909 -20.785 -2.022 1.00 0.00 C ATOM 375 CE LYS A 23 10.461 -21.532 -0.778 1.00 0.00 C ATOM 376 NZ LYS A 23 10.773 -22.982 -0.868 1.00 0.00 N ATOM 0 H LYS A 23 8.525 -16.628 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 23 10.726 -16.597 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.509 -19.185 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.960 -18.581 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.957 -18.832 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.410 -19.261 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.486 -21.263 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.993 -20.848 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.951 -21.108 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.388 -21.398 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.453 -23.460 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.285 -23.392 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.799 -23.110 -0.975 1.00 0.00 H new ATOM 390 N GLY A 24 11.138 -15.264 -4.618 1.00 0.00 N ATOM 391 CA GLY A 24 11.609 -14.579 -5.800 1.00 0.00 C ATOM 392 C GLY A 24 10.857 -13.296 -6.080 1.00 0.00 C ATOM 393 O GLY A 24 11.466 -12.284 -6.426 1.00 0.00 O ATOM 0 H GLY A 24 11.099 -14.692 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.669 -14.354 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.516 -15.243 -6.659 1.00 0.00 H new ATOM 397 N TRP A 25 9.537 -13.328 -5.947 1.00 0.00 N ATOM 398 CA TRP A 25 8.727 -12.140 -6.192 1.00 0.00 C ATOM 399 C TRP A 25 8.682 -11.274 -4.945 1.00 0.00 C ATOM 400 O TRP A 25 7.821 -11.452 -4.094 1.00 0.00 O ATOM 401 CB TRP A 25 7.305 -12.520 -6.613 1.00 0.00 C ATOM 402 CG TRP A 25 7.206 -13.042 -8.015 1.00 0.00 C ATOM 403 CD1 TRP A 25 7.512 -14.300 -8.455 1.00 0.00 C ATOM 404 CD2 TRP A 25 6.758 -12.311 -9.164 1.00 0.00 C ATOM 405 NE1 TRP A 25 7.291 -14.391 -9.808 1.00 0.00 N ATOM 406 CE2 TRP A 25 6.826 -13.186 -10.265 1.00 0.00 C ATOM 407 CE3 TRP A 25 6.307 -11.004 -9.368 1.00 0.00 C ATOM 408 CZ2 TRP A 25 6.461 -12.793 -11.549 1.00 0.00 C ATOM 409 CZ3 TRP A 25 5.944 -10.615 -10.645 1.00 0.00 C ATOM 410 CH2 TRP A 25 6.023 -11.506 -11.721 1.00 0.00 C ATOM 0 H TRP A 25 9.007 -14.156 -5.673 1.00 0.00 H new ATOM 0 HA TRP A 25 9.186 -11.579 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.923 -13.276 -5.927 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.662 -11.646 -6.515 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.874 -15.104 -7.831 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.448 -15.221 -10.380 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.243 -10.310 -8.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.521 -13.479 -12.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.594 -9.607 -10.814 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.733 -11.173 -12.707 1.00 0.00 H new ATOM 421 N THR A 26 9.599 -10.332 -4.838 1.00 0.00 N ATOM 422 CA THR A 26 9.731 -9.566 -3.608 1.00 0.00 C ATOM 423 C THR A 26 8.775 -8.381 -3.616 1.00 0.00 C ATOM 424 O THR A 26 8.635 -7.704 -4.625 1.00 0.00 O ATOM 425 CB THR A 26 11.178 -9.065 -3.430 1.00 0.00 C ATOM 426 OG1 THR A 26 12.097 -10.149 -3.638 1.00 0.00 O ATOM 427 CG2 THR A 26 11.390 -8.481 -2.041 1.00 0.00 C ATOM 0 H THR A 26 10.257 -10.079 -5.575 1.00 0.00 H new ATOM 0 HA THR A 26 9.481 -10.221 -2.773 1.00 0.00 H new ATOM 0 HB THR A 26 11.358 -8.281 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.015 -9.826 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.419 -8.136 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.711 -7.642 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.192 -9.246 -1.290 1.00 0.00 H new ATOM 435 N LYS A 27 8.120 -8.135 -2.490 1.00 0.00 N ATOM 436 CA LYS A 27 7.160 -7.049 -2.390 1.00 0.00 C ATOM 437 C LYS A 27 7.569 -6.088 -1.285 1.00 0.00 C ATOM 438 O LYS A 27 7.608 -6.460 -0.104 1.00 0.00 O ATOM 439 CB LYS A 27 5.759 -7.605 -2.123 1.00 0.00 C ATOM 440 CG LYS A 27 4.660 -6.554 -2.123 1.00 0.00 C ATOM 441 CD LYS A 27 3.284 -7.193 -2.005 1.00 0.00 C ATOM 442 CE LYS A 27 3.099 -7.885 -0.667 1.00 0.00 C ATOM 443 NZ LYS A 27 1.854 -8.703 -0.627 1.00 0.00 N ATOM 0 H LYS A 27 8.237 -8.675 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 27 7.144 -6.506 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.528 -8.356 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.760 -8.113 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.815 -5.863 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.714 -5.968 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.516 -6.429 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.148 -7.915 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.959 -8.524 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.067 -7.138 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.556 -8.834 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.101 -8.216 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.035 -9.631 -1.060 1.00 0.00 H new ATOM 457 N GLU A 28 7.876 -4.857 -1.666 1.00 0.00 N ATOM 458 CA GLU A 28 8.328 -3.863 -0.710 1.00 0.00 C ATOM 459 C GLU A 28 7.789 -2.479 -1.049 1.00 0.00 C ATOM 460 O GLU A 28 7.314 -2.228 -2.162 1.00 0.00 O ATOM 461 CB GLU A 28 9.859 -3.821 -0.655 1.00 0.00 C ATOM 462 CG GLU A 28 10.511 -3.322 -1.933 1.00 0.00 C ATOM 463 CD GLU A 28 12.019 -3.235 -1.820 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.525 -2.215 -1.318 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.704 -4.190 -2.243 1.00 0.00 O ATOM 0 H GLU A 28 7.820 -4.525 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 28 7.942 -4.153 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.165 -3.179 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.232 -4.822 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.249 -3.989 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.111 -2.339 -2.181 1.00 0.00 H new ATOM 472 N ILE A 29 7.870 -1.596 -0.068 1.00 0.00 N ATOM 473 CA ILE A 29 7.473 -0.212 -0.224 1.00 0.00 C ATOM 474 C ILE A 29 8.719 0.665 -0.271 1.00 0.00 C ATOM 475 O ILE A 29 9.486 0.721 0.694 1.00 0.00 O ATOM 476 CB ILE A 29 6.568 0.235 0.943 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.377 -0.724 1.074 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.094 1.666 0.732 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.477 -0.433 2.254 1.00 0.00 C ATOM 0 H ILE A 29 8.216 -1.824 0.864 1.00 0.00 H new ATOM 0 HA ILE A 29 6.911 -0.111 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 29 7.141 0.206 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.785 -0.679 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.753 -1.743 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.457 1.965 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.956 2.331 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.529 1.729 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.660 -1.155 2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.052 -0.508 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.069 0.574 2.161 1.00 0.00 H new ATOM 491 N ASN A 30 8.931 1.333 -1.389 1.00 0.00 N ATOM 492 CA ASN A 30 10.153 2.095 -1.594 1.00 0.00 C ATOM 493 C ASN A 30 9.850 3.488 -2.138 1.00 0.00 C ATOM 494 O ASN A 30 8.690 3.851 -2.329 1.00 0.00 O ATOM 495 CB ASN A 30 11.102 1.335 -2.532 1.00 0.00 C ATOM 496 CG ASN A 30 10.498 1.059 -3.894 1.00 0.00 C ATOM 497 OD1 ASN A 30 10.648 1.843 -4.822 1.00 0.00 O ATOM 498 ND2 ASN A 30 9.820 -0.072 -4.024 1.00 0.00 N ATOM 0 H ASN A 30 8.275 1.365 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 30 10.644 2.219 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.018 1.912 -2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.382 0.390 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.401 -0.315 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.717 -0.700 -3.226 1.00 0.00 H new ATOM 505 N ARG A 31 10.896 4.272 -2.357 1.00 0.00 N ATOM 506 CA ARG A 31 10.747 5.644 -2.825 1.00 0.00 C ATOM 507 C ARG A 31 11.318 5.807 -4.226 1.00 0.00 C ATOM 508 O ARG A 31 12.514 5.587 -4.450 1.00 0.00 O ATOM 509 CB ARG A 31 11.434 6.612 -1.857 1.00 0.00 C ATOM 510 CG ARG A 31 10.596 6.930 -0.631 1.00 0.00 C ATOM 511 CD ARG A 31 11.428 7.544 0.485 1.00 0.00 C ATOM 512 NE ARG A 31 12.191 8.712 0.051 1.00 0.00 N ATOM 513 CZ ARG A 31 12.024 9.938 0.550 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.066 10.177 1.440 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.822 10.922 0.151 1.00 0.00 N ATOM 0 H ARG A 31 11.863 3.980 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 31 9.683 5.877 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.384 6.183 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.663 7.539 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.796 7.617 -0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.122 6.018 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.770 7.831 1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.115 6.792 0.875 1.00 0.00 H new ATOM 0 HE ARG A 31 12.893 8.582 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.453 9.421 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.944 11.117 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.556 10.738 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.700 11.862 0.528 1.00 0.00 H new ATOM 529 N VAL A 32 10.458 6.199 -5.159 1.00 0.00 N ATOM 530 CA VAL A 32 10.853 6.370 -6.550 1.00 0.00 C ATOM 531 C VAL A 32 10.631 7.810 -7.008 1.00 0.00 C ATOM 532 O VAL A 32 9.570 8.393 -6.780 1.00 0.00 O ATOM 533 CB VAL A 32 10.067 5.422 -7.489 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.549 5.562 -8.927 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.191 3.978 -7.032 1.00 0.00 C ATOM 0 H VAL A 32 9.476 6.405 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 32 11.914 6.125 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 32 9.016 5.708 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.982 4.887 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.402 6.589 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.608 5.311 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.630 3.333 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.240 3.684 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.792 3.880 -6.023 1.00 0.00 H new ATOM 545 N SER A 33 11.646 8.375 -7.633 1.00 0.00 N ATOM 546 CA SER A 33 11.548 9.691 -8.232 1.00 0.00 C ATOM 547 C SER A 33 11.225 9.541 -9.714 1.00 0.00 C ATOM 548 O SER A 33 11.637 8.567 -10.346 1.00 0.00 O ATOM 549 CB SER A 33 12.864 10.455 -8.049 1.00 0.00 C ATOM 550 OG SER A 33 12.742 11.802 -8.471 1.00 0.00 O ATOM 0 H SER A 33 12.560 7.935 -7.739 1.00 0.00 H new ATOM 0 HA SER A 33 10.754 10.256 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.161 10.426 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.654 9.964 -8.618 1.00 0.00 H new ATOM 0 HG SER A 33 12.215 12.304 -7.815 1.00 0.00 H new ATOM 556 N PHE A 34 10.471 10.478 -10.265 1.00 0.00 N ATOM 557 CA PHE A 34 10.098 10.421 -11.669 1.00 0.00 C ATOM 558 C PHE A 34 10.538 11.683 -12.394 1.00 0.00 C ATOM 559 O PHE A 34 10.025 12.774 -12.131 1.00 0.00 O ATOM 560 CB PHE A 34 8.590 10.222 -11.820 1.00 0.00 C ATOM 561 CG PHE A 34 8.107 8.885 -11.331 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.260 7.753 -12.117 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.500 8.758 -10.091 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.815 6.521 -11.677 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.054 7.530 -9.645 1.00 0.00 C ATOM 566 CZ PHE A 34 7.211 6.409 -10.438 1.00 0.00 C ATOM 0 H PHE A 34 10.105 11.287 -9.762 1.00 0.00 H new ATOM 0 HA PHE A 34 10.606 9.568 -12.119 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.072 11.009 -11.272 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.321 10.334 -12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.733 7.835 -13.085 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.375 9.630 -9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.939 5.647 -12.300 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.583 7.445 -8.677 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.863 5.447 -10.091 1.00 0.00 H new ATOM 576 N ASN A 35 11.505 11.520 -13.296 1.00 0.00 N ATOM 577 CA ASN A 35 12.031 12.623 -14.104 1.00 0.00 C ATOM 578 C ASN A 35 12.726 13.669 -13.238 1.00 0.00 C ATOM 579 O ASN A 35 12.880 14.819 -13.648 1.00 0.00 O ATOM 580 CB ASN A 35 10.922 13.290 -14.928 1.00 0.00 C ATOM 581 CG ASN A 35 10.492 12.475 -16.137 1.00 0.00 C ATOM 582 OD1 ASN A 35 9.334 12.525 -16.550 1.00 0.00 O ATOM 583 ND2 ASN A 35 11.418 11.723 -16.720 1.00 0.00 N ATOM 0 H ASN A 35 11.947 10.621 -13.488 1.00 0.00 H new ATOM 0 HA ASN A 35 12.764 12.193 -14.786 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.056 13.460 -14.288 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.267 14.268 -15.263 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.179 11.162 -17.538 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.368 11.706 -16.350 1.00 0.00 H new ATOM 590 N GLY A 36 13.172 13.263 -12.058 1.00 0.00 N ATOM 591 CA GLY A 36 13.824 14.192 -11.157 1.00 0.00 C ATOM 592 C GLY A 36 12.830 15.048 -10.400 1.00 0.00 C ATOM 593 O GLY A 36 12.571 16.197 -10.770 1.00 0.00 O ATOM 0 H GLY A 36 13.094 12.308 -11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.438 13.637 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.496 14.835 -11.725 1.00 0.00 H new ATOM 597 N ALA A 37 12.276 14.483 -9.341 1.00 0.00 N ATOM 598 CA ALA A 37 11.283 15.160 -8.518 1.00 0.00 C ATOM 599 C ALA A 37 11.340 14.604 -7.097 1.00 0.00 C ATOM 600 O ALA A 37 12.111 13.680 -6.837 1.00 0.00 O ATOM 601 CB ALA A 37 9.897 14.960 -9.126 1.00 0.00 C ATOM 0 H ALA A 37 12.501 13.540 -9.025 1.00 0.00 H new ATOM 0 HA ALA A 37 11.493 16.229 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.153 15.466 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.878 15.376 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.669 13.895 -9.169 1.00 0.00 H new ATOM 607 N PRO A 38 10.569 15.164 -6.142 1.00 0.00 N ATOM 608 CA PRO A 38 10.429 14.566 -4.811 1.00 0.00 C ATOM 609 C PRO A 38 10.078 13.085 -4.906 1.00 0.00 C ATOM 610 O PRO A 38 9.120 12.710 -5.591 1.00 0.00 O ATOM 611 CB PRO A 38 9.282 15.360 -4.183 1.00 0.00 C ATOM 612 CG PRO A 38 9.339 16.689 -4.852 1.00 0.00 C ATOM 613 CD PRO A 38 9.812 16.427 -6.256 1.00 0.00 C ATOM 0 HA PRO A 38 11.349 14.612 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.322 14.872 -4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.407 15.453 -3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.360 17.167 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.021 17.360 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.976 16.331 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.440 17.238 -6.625 1.00 0.00 H new ATOM 621 N ALA A 39 10.866 12.253 -4.240 1.00 0.00 N ATOM 622 CA ALA A 39 10.693 10.809 -4.319 1.00 0.00 C ATOM 623 C ALA A 39 9.379 10.381 -3.684 1.00 0.00 C ATOM 624 O ALA A 39 9.199 10.491 -2.470 1.00 0.00 O ATOM 625 CB ALA A 39 11.860 10.097 -3.653 1.00 0.00 C ATOM 0 H ALA A 39 11.633 12.553 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 39 10.667 10.529 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.715 9.019 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.788 10.371 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.915 10.390 -2.605 1.00 0.00 H new ATOM 631 N LYS A 40 8.463 9.898 -4.511 1.00 0.00 N ATOM 632 CA LYS A 40 7.171 9.439 -4.031 1.00 0.00 C ATOM 633 C LYS A 40 7.268 8.012 -3.509 1.00 0.00 C ATOM 634 O LYS A 40 8.293 7.348 -3.667 1.00 0.00 O ATOM 635 CB LYS A 40 6.109 9.540 -5.130 1.00 0.00 C ATOM 636 CG LYS A 40 5.667 10.967 -5.411 1.00 0.00 C ATOM 637 CD LYS A 40 4.582 11.027 -6.474 1.00 0.00 C ATOM 638 CE LYS A 40 3.981 12.419 -6.565 1.00 0.00 C ATOM 639 NZ LYS A 40 2.991 12.534 -7.665 1.00 0.00 N ATOM 0 H LYS A 40 8.593 9.814 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 40 6.868 10.087 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.503 9.102 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.240 8.948 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.299 11.421 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.525 11.555 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.999 10.744 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.800 10.305 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.500 12.667 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.778 13.147 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.608 13.501 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.454 12.323 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.216 11.859 -7.507 1.00 0.00 H new ATOM 653 N PHE A 41 6.196 7.545 -2.897 1.00 0.00 N ATOM 654 CA PHE A 41 6.198 6.260 -2.227 1.00 0.00 C ATOM 655 C PHE A 41 5.509 5.218 -3.092 1.00 0.00 C ATOM 656 O PHE A 41 4.314 5.311 -3.350 1.00 0.00 O ATOM 657 CB PHE A 41 5.493 6.395 -0.881 1.00 0.00 C ATOM 658 CG PHE A 41 5.967 7.579 -0.082 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.090 7.482 0.718 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.287 8.785 -0.133 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.531 8.567 1.452 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.721 9.872 0.597 1.00 0.00 C ATOM 663 CZ PHE A 41 6.844 9.762 1.393 1.00 0.00 C ATOM 0 H PHE A 41 5.306 8.042 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 41 7.225 5.936 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.419 6.483 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.652 5.486 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.629 6.548 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.406 8.875 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.412 8.479 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.183 10.807 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.184 10.610 1.969 1.00 0.00 H new ATOM 673 N ASP A 42 6.264 4.233 -3.538 1.00 0.00 N ATOM 674 CA ASP A 42 5.740 3.233 -4.452 1.00 0.00 C ATOM 675 C ASP A 42 5.777 1.851 -3.813 1.00 0.00 C ATOM 676 O ASP A 42 6.775 1.458 -3.200 1.00 0.00 O ATOM 677 CB ASP A 42 6.550 3.237 -5.750 1.00 0.00 C ATOM 678 CG ASP A 42 5.914 2.399 -6.842 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.944 1.160 -6.739 1.00 0.00 O ATOM 680 OD2 ASP A 42 5.397 2.980 -7.823 1.00 0.00 O ATOM 0 H ASP A 42 7.243 4.102 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 42 4.703 3.478 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.658 4.263 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.553 2.862 -5.548 1.00 0.00 H new ATOM 685 N ILE A 43 4.678 1.127 -3.940 1.00 0.00 N ATOM 686 CA ILE A 43 4.576 -0.222 -3.406 1.00 0.00 C ATOM 687 C ILE A 43 4.451 -1.215 -4.552 1.00 0.00 C ATOM 688 O ILE A 43 3.388 -1.322 -5.166 1.00 0.00 O ATOM 689 CB ILE A 43 3.351 -0.371 -2.482 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.325 0.755 -1.442 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.373 -1.732 -1.796 1.00 0.00 C ATOM 692 CD1 ILE A 43 2.092 0.748 -0.564 1.00 0.00 C ATOM 0 H ILE A 43 3.836 1.454 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 43 5.476 -0.421 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 43 2.447 -0.301 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.210 0.674 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.388 1.714 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.503 -1.826 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.350 -2.520 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.282 -1.825 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.146 1.573 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.203 0.861 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.038 -0.195 -0.020 1.00 0.00 H new ATOM 704 N ARG A 44 5.524 -1.937 -4.842 1.00 0.00 N ATOM 705 CA ARG A 44 5.526 -2.834 -5.992 1.00 0.00 C ATOM 706 C ARG A 44 6.271 -4.128 -5.704 1.00 0.00 C ATOM 707 O ARG A 44 6.841 -4.308 -4.626 1.00 0.00 O ATOM 708 CB ARG A 44 6.132 -2.146 -7.220 1.00 0.00 C ATOM 709 CG ARG A 44 7.597 -1.766 -7.075 1.00 0.00 C ATOM 710 CD ARG A 44 8.115 -1.083 -8.334 1.00 0.00 C ATOM 711 NE ARG A 44 7.366 0.137 -8.630 1.00 0.00 N ATOM 712 CZ ARG A 44 7.384 0.777 -9.799 1.00 0.00 C ATOM 713 NH1 ARG A 44 8.105 0.306 -10.811 1.00 0.00 N ATOM 714 NH2 ARG A 44 6.672 1.890 -9.953 1.00 0.00 N ATOM 0 H ARG A 44 6.392 -1.922 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 44 4.486 -3.085 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.025 -2.807 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.557 -1.246 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.720 -1.101 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.189 -2.659 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.171 -0.842 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.042 -1.769 -9.178 1.00 0.00 H new ATOM 0 HE ARG A 44 6.787 0.527 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.648 -0.549 -10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.115 0.800 -11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.115 2.251 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.683 2.383 -10.846 1.00 0.00 H new ATOM 728 N ALA A 45 6.253 -5.021 -6.682 1.00 0.00 N ATOM 729 CA ALA A 45 6.915 -6.306 -6.562 1.00 0.00 C ATOM 730 C ALA A 45 8.046 -6.435 -7.580 1.00 0.00 C ATOM 731 O ALA A 45 8.019 -5.808 -8.642 1.00 0.00 O ATOM 732 CB ALA A 45 5.909 -7.432 -6.737 1.00 0.00 C ATOM 0 H ALA A 45 5.782 -4.875 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 45 7.350 -6.376 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.417 -8.392 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.139 -7.354 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.448 -7.359 -7.722 1.00 0.00 H new ATOM 738 N TRP A 46 9.038 -7.242 -7.242 1.00 0.00 N ATOM 739 CA TRP A 46 10.168 -7.484 -8.120 1.00 0.00 C ATOM 740 C TRP A 46 10.086 -8.892 -8.691 1.00 0.00 C ATOM 741 O TRP A 46 9.887 -9.855 -7.945 1.00 0.00 O ATOM 742 CB TRP A 46 11.488 -7.328 -7.364 1.00 0.00 C ATOM 743 CG TRP A 46 11.617 -6.035 -6.620 1.00 0.00 C ATOM 744 CD1 TRP A 46 11.600 -5.869 -5.267 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.778 -4.728 -7.184 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.755 -4.545 -4.952 1.00 0.00 N ATOM 747 CE2 TRP A 46 11.860 -3.821 -6.111 1.00 0.00 C ATOM 748 CE3 TRP A 46 11.864 -4.238 -8.492 1.00 0.00 C ATOM 749 CZ2 TRP A 46 12.022 -2.452 -6.306 1.00 0.00 C ATOM 750 CZ3 TRP A 46 12.025 -2.878 -8.683 1.00 0.00 C ATOM 751 CH2 TRP A 46 12.102 -1.999 -7.594 1.00 0.00 C ATOM 0 H TRP A 46 9.082 -7.745 -6.356 1.00 0.00 H new ATOM 0 HA TRP A 46 10.134 -6.752 -8.927 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.590 -8.153 -6.658 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.312 -7.411 -8.072 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.481 -6.666 -4.548 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.787 -4.160 -4.008 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.806 -4.909 -9.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.082 -1.772 -5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 12.092 -2.487 -9.687 1.00 0.00 H new ATOM 0 HH2 TRP A 46 12.227 -0.942 -7.776 1.00 0.00 H new ATOM 762 N SER A 47 10.241 -8.999 -10.008 1.00 0.00 N ATOM 763 CA SER A 47 10.185 -10.284 -10.690 1.00 0.00 C ATOM 764 C SER A 47 11.564 -10.943 -10.705 1.00 0.00 C ATOM 765 O SER A 47 12.554 -10.313 -11.086 1.00 0.00 O ATOM 766 CB SER A 47 9.683 -10.090 -12.125 1.00 0.00 C ATOM 767 OG SER A 47 8.486 -9.328 -12.152 1.00 0.00 O ATOM 0 H SER A 47 10.407 -8.204 -10.625 1.00 0.00 H new ATOM 0 HA SER A 47 9.495 -10.934 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.449 -9.589 -12.716 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.509 -11.062 -12.587 1.00 0.00 H new ATOM 0 HG SER A 47 7.748 -9.866 -11.798 1.00 0.00 H new ATOM 877 N LYS A 55 3.931 -4.867 -11.425 1.00 0.00 N ATOM 878 CA LYS A 55 2.772 -4.220 -10.831 1.00 0.00 C ATOM 879 C LYS A 55 3.117 -3.574 -9.497 1.00 0.00 C ATOM 880 O LYS A 55 3.812 -4.159 -8.660 1.00 0.00 O ATOM 881 CB LYS A 55 1.610 -5.205 -10.675 1.00 0.00 C ATOM 882 CG LYS A 55 1.984 -6.514 -9.996 1.00 0.00 C ATOM 883 CD LYS A 55 0.759 -7.376 -9.733 1.00 0.00 C ATOM 884 CE LYS A 55 -0.003 -7.678 -11.017 1.00 0.00 C ATOM 885 NZ LYS A 55 -1.240 -8.464 -10.763 1.00 0.00 N ATOM 0 HA LYS A 55 2.456 -3.429 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.817 -4.725 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.201 -5.425 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.688 -7.062 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.492 -6.305 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.066 -8.311 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.100 -6.867 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.264 -6.742 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.643 -8.230 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.726 -8.647 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.991 -9.369 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.869 -7.927 -10.132 1.00 0.00 H new ATOM 899 N GLY A 56 2.638 -2.352 -9.331 1.00 0.00 N ATOM 900 CA GLY A 56 2.869 -1.592 -8.126 1.00 0.00 C ATOM 901 C GLY A 56 2.190 -0.242 -8.197 1.00 0.00 C ATOM 902 O GLY A 56 1.985 0.291 -9.290 1.00 0.00 O ATOM 0 H GLY A 56 2.079 -1.864 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.495 -2.146 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.940 -1.457 -7.977 1.00 0.00 H new ATOM 906 N ILE A 57 1.851 0.319 -7.049 1.00 0.00 N ATOM 907 CA ILE A 57 1.090 1.560 -7.007 1.00 0.00 C ATOM 908 C ILE A 57 1.862 2.654 -6.274 1.00 0.00 C ATOM 909 O ILE A 57 2.422 2.430 -5.199 1.00 0.00 O ATOM 910 CB ILE A 57 -0.301 1.336 -6.354 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.115 2.638 -6.333 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.154 0.767 -4.946 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.525 2.468 -5.796 1.00 0.00 C ATOM 0 H ILE A 57 2.089 -0.063 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 57 0.934 1.890 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.843 0.610 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.590 3.374 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.167 3.040 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.141 0.619 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.370 -0.188 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.415 1.463 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.039 3.429 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.068 1.756 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.482 2.096 -4.772 1.00 0.00 H new ATOM 925 N THR A 58 1.911 3.827 -6.886 1.00 0.00 N ATOM 926 CA THR A 58 2.623 4.957 -6.318 1.00 0.00 C ATOM 927 C THR A 58 1.664 5.856 -5.543 1.00 0.00 C ATOM 928 O THR A 58 0.599 6.230 -6.048 1.00 0.00 O ATOM 929 CB THR A 58 3.309 5.784 -7.424 1.00 0.00 C ATOM 930 OG1 THR A 58 3.767 4.915 -8.472 1.00 0.00 O ATOM 931 CG2 THR A 58 4.484 6.568 -6.858 1.00 0.00 C ATOM 0 H THR A 58 1.463 4.020 -7.782 1.00 0.00 H new ATOM 0 HA THR A 58 3.383 4.566 -5.641 1.00 0.00 H new ATOM 0 HB THR A 58 2.582 6.488 -7.829 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.611 4.495 -8.203 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.954 7.145 -7.655 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.129 7.245 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.212 5.877 -6.433 1.00 0.00 H new ATOM 939 N LEU A 59 2.036 6.191 -4.321 1.00 0.00 N ATOM 940 CA LEU A 59 1.226 7.052 -3.476 1.00 0.00 C ATOM 941 C LEU A 59 1.972 8.347 -3.177 1.00 0.00 C ATOM 942 O LEU A 59 3.203 8.363 -3.095 1.00 0.00 O ATOM 943 CB LEU A 59 0.882 6.343 -2.162 1.00 0.00 C ATOM 944 CG LEU A 59 0.122 5.025 -2.309 1.00 0.00 C ATOM 945 CD1 LEU A 59 -0.063 4.361 -0.956 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.229 5.253 -2.970 1.00 0.00 C ATOM 0 H LEU A 59 2.904 5.876 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 59 0.302 7.283 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.807 6.151 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.287 7.020 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 59 0.711 4.364 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.606 3.424 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.912 4.158 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.628 5.023 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.753 4.302 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.822 5.935 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.082 5.686 -3.959 1.00 0.00 H new ATOM 958 N SER A 60 1.229 9.435 -3.031 1.00 0.00 N ATOM 959 CA SER A 60 1.820 10.715 -2.681 1.00 0.00 C ATOM 960 C SER A 60 2.032 10.803 -1.166 1.00 0.00 C ATOM 961 O SER A 60 1.605 9.915 -0.424 1.00 0.00 O ATOM 962 CB SER A 60 0.931 11.859 -3.178 1.00 0.00 C ATOM 963 OG SER A 60 -0.391 11.740 -2.678 1.00 0.00 O ATOM 0 H SER A 60 0.216 9.455 -3.150 1.00 0.00 H new ATOM 0 HA SER A 60 2.792 10.803 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.355 12.814 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.911 11.860 -4.268 1.00 0.00 H new ATOM 0 HG SER A 60 -0.902 11.128 -3.247 1.00 0.00 H new ATOM 969 N ASN A 61 2.686 11.870 -0.716 1.00 0.00 N ATOM 970 CA ASN A 61 2.992 12.047 0.704 1.00 0.00 C ATOM 971 C ASN A 61 1.712 12.086 1.531 1.00 0.00 C ATOM 972 O ASN A 61 1.626 11.461 2.588 1.00 0.00 O ATOM 973 CB ASN A 61 3.799 13.331 0.922 1.00 0.00 C ATOM 974 CG ASN A 61 4.293 13.486 2.353 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.372 13.006 2.703 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.520 14.170 3.191 1.00 0.00 N ATOM 0 H ASN A 61 3.016 12.628 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 61 3.590 11.196 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.654 13.336 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.182 14.191 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.815 14.311 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.632 14.554 2.868 1.00 0.00 H new ATOM 983 N GLU A 62 0.721 12.815 1.026 1.00 0.00 N ATOM 984 CA GLU A 62 -0.578 12.926 1.678 1.00 0.00 C ATOM 985 C GLU A 62 -1.194 11.545 1.888 1.00 0.00 C ATOM 986 O GLU A 62 -1.546 11.171 3.008 1.00 0.00 O ATOM 987 CB GLU A 62 -1.512 13.791 0.827 1.00 0.00 C ATOM 988 CG GLU A 62 -2.869 14.040 1.461 1.00 0.00 C ATOM 989 CD GLU A 62 -2.774 14.836 2.743 1.00 0.00 C ATOM 990 OE1 GLU A 62 -2.669 16.078 2.667 1.00 0.00 O ATOM 991 OE2 GLU A 62 -2.800 14.229 3.832 1.00 0.00 O ATOM 0 H GLU A 62 0.796 13.343 0.157 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.440 13.394 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.030 14.750 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.657 13.309 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.504 14.572 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.351 13.084 1.666 1.00 0.00 H new ATOM 998 N GLU A 63 -1.293 10.783 0.803 1.00 0.00 N ATOM 999 CA GLU A 63 -1.889 9.452 0.838 1.00 0.00 C ATOM 1000 C GLU A 63 -1.110 8.536 1.776 1.00 0.00 C ATOM 1001 O GLU A 63 -1.692 7.817 2.593 1.00 0.00 O ATOM 1002 CB GLU A 63 -1.904 8.854 -0.570 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.617 9.725 -1.586 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.511 9.187 -2.997 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.510 9.498 -3.679 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.434 8.465 -3.428 1.00 0.00 O ATOM 0 H GLU A 63 -0.965 11.068 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.910 9.541 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.878 8.691 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.387 7.877 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.669 9.808 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.198 10.731 -1.553 1.00 0.00 H new ATOM 1013 N PHE A 64 0.212 8.594 1.666 1.00 0.00 N ATOM 1014 CA PHE A 64 1.095 7.731 2.435 1.00 0.00 C ATOM 1015 C PHE A 64 0.989 8.022 3.932 1.00 0.00 C ATOM 1016 O PHE A 64 0.827 7.107 4.738 1.00 0.00 O ATOM 1017 CB PHE A 64 2.537 7.915 1.960 1.00 0.00 C ATOM 1018 CG PHE A 64 3.448 6.779 2.316 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.337 5.562 1.666 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.423 6.931 3.287 1.00 0.00 C ATOM 1021 CE1 PHE A 64 4.184 4.517 1.978 1.00 0.00 C ATOM 1022 CE2 PHE A 64 5.269 5.890 3.605 1.00 0.00 C ATOM 1023 CZ PHE A 64 5.149 4.682 2.950 1.00 0.00 C ATOM 0 H PHE A 64 0.699 9.239 1.043 1.00 0.00 H new ATOM 0 HA PHE A 64 0.790 6.697 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.538 8.042 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.935 8.834 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.580 5.428 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.522 7.876 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.091 3.573 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.024 6.020 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.811 3.865 3.198 1.00 0.00 H new ATOM 1033 N GLN A 65 1.061 9.297 4.298 1.00 0.00 N ATOM 1034 CA GLN A 65 1.002 9.692 5.700 1.00 0.00 C ATOM 1035 C GLN A 65 -0.369 9.356 6.281 1.00 0.00 C ATOM 1036 O GLN A 65 -0.478 8.921 7.428 1.00 0.00 O ATOM 1037 CB GLN A 65 1.306 11.192 5.840 1.00 0.00 C ATOM 1038 CG GLN A 65 1.809 11.598 7.224 1.00 0.00 C ATOM 1039 CD GLN A 65 0.723 11.615 8.289 1.00 0.00 C ATOM 1040 OE1 GLN A 65 -0.437 11.921 8.012 1.00 0.00 O ATOM 1041 NE2 GLN A 65 1.096 11.274 9.515 1.00 0.00 N ATOM 0 H GLN A 65 1.160 10.074 3.644 1.00 0.00 H new ATOM 0 HA GLN A 65 1.756 9.138 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.053 11.472 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.403 11.758 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.596 10.909 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.259 12.589 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.068 11.027 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.411 11.258 10.271 1.00 0.00 H new ATOM 1050 N THR A 66 -1.404 9.540 5.467 1.00 0.00 N ATOM 1051 CA THR A 66 -2.770 9.250 5.883 1.00 0.00 C ATOM 1052 C THR A 66 -2.904 7.818 6.402 1.00 0.00 C ATOM 1053 O THR A 66 -3.368 7.606 7.522 1.00 0.00 O ATOM 1054 CB THR A 66 -3.771 9.488 4.731 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.773 10.875 4.366 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.182 9.060 5.125 1.00 0.00 C ATOM 0 H THR A 66 -1.321 9.890 4.512 1.00 0.00 H new ATOM 0 HA THR A 66 -3.007 9.936 6.696 1.00 0.00 H new ATOM 0 HB THR A 66 -3.456 8.884 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.870 11.144 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.863 9.240 4.293 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.184 7.998 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.508 9.635 5.992 1.00 0.00 H new ATOM 1064 N MET A 67 -2.470 6.842 5.606 1.00 0.00 N ATOM 1065 CA MET A 67 -2.595 5.440 5.996 1.00 0.00 C ATOM 1066 C MET A 67 -1.751 5.148 7.239 1.00 0.00 C ATOM 1067 O MET A 67 -2.169 4.397 8.117 1.00 0.00 O ATOM 1068 CB MET A 67 -2.187 4.501 4.848 1.00 0.00 C ATOM 1069 CG MET A 67 -0.686 4.397 4.630 1.00 0.00 C ATOM 1070 SD MET A 67 -0.238 3.162 3.402 1.00 0.00 S ATOM 1071 CE MET A 67 1.539 3.132 3.619 1.00 0.00 C ATOM 0 H MET A 67 -2.033 6.994 4.697 1.00 0.00 H new ATOM 0 HA MET A 67 -3.644 5.256 6.230 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.583 3.506 5.050 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.653 4.849 3.926 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.302 5.368 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.203 4.152 5.576 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.008 2.724 2.723 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.902 4.146 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.790 2.508 4.476 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.577 5.769 7.317 1.00 0.00 N ATOM 1082 CA VAL A 68 0.330 5.556 8.436 1.00 0.00 C ATOM 1083 C VAL A 68 -0.336 5.924 9.759 1.00 0.00 C ATOM 1084 O VAL A 68 -0.349 5.125 10.694 1.00 0.00 O ATOM 1085 CB VAL A 68 1.634 6.360 8.257 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.473 6.349 9.528 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.435 5.800 7.093 1.00 0.00 C ATOM 0 H VAL A 68 -0.233 6.425 6.616 1.00 0.00 H new ATOM 0 HA VAL A 68 0.580 4.495 8.457 1.00 0.00 H new ATOM 0 HB VAL A 68 1.366 7.395 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.385 6.925 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.903 6.793 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.733 5.322 9.784 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.354 6.374 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.682 4.757 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.845 5.867 6.179 1.00 0.00 H new ATOM 1097 N ASP A 69 -0.923 7.113 9.821 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.541 7.584 11.057 1.00 0.00 C ATOM 1099 C ASP A 69 -2.872 6.875 11.308 1.00 0.00 C ATOM 1100 O ASP A 69 -3.184 6.485 12.441 1.00 0.00 O ATOM 1101 CB ASP A 69 -1.756 9.100 11.002 1.00 0.00 C ATOM 1102 CG ASP A 69 -2.059 9.692 12.366 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -1.101 10.073 13.075 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -3.244 9.783 12.738 1.00 0.00 O ATOM 0 H ASP A 69 -0.985 7.764 9.038 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.867 7.351 11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.865 9.576 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.578 9.323 10.322 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.646 6.688 10.246 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.953 6.055 10.358 1.00 0.00 C ATOM 1111 C ALA A 70 -4.833 4.626 10.874 1.00 0.00 C ATOM 1112 O ALA A 70 -5.581 4.208 11.760 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.671 6.079 9.017 1.00 0.00 C ATOM 0 H ALA A 70 -3.391 6.966 9.298 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.540 6.623 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.646 5.602 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.804 7.111 8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.079 5.541 8.277 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.879 3.881 10.336 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.709 2.490 10.724 1.00 0.00 C ATOM 1121 C PHE A 71 -2.998 2.352 12.063 1.00 0.00 C ATOM 1122 O PHE A 71 -3.283 1.424 12.816 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.973 1.701 9.643 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.839 1.365 8.464 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.772 0.346 8.547 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -3.727 2.071 7.280 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.573 0.033 7.466 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -4.523 1.765 6.198 1.00 0.00 C ATOM 1129 CZ PHE A 71 -5.449 0.748 6.290 1.00 0.00 C ATOM 0 H PHE A 71 -3.216 4.213 9.635 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.708 2.070 10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.114 2.279 9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.585 0.779 10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.875 -0.210 9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.007 2.872 7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.294 -0.768 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.422 2.322 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.077 0.510 5.444 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.089 3.270 12.385 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.384 3.188 13.663 1.00 0.00 C ATOM 1141 C LYS A 72 -2.355 3.398 14.818 1.00 0.00 C ATOM 1142 O LYS A 72 -2.117 2.940 15.931 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.205 4.183 13.736 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.585 5.660 13.692 1.00 0.00 C ATOM 1145 CD LYS A 72 -1.061 6.190 15.039 1.00 0.00 C ATOM 1146 CE LYS A 72 0.069 6.251 16.050 1.00 0.00 C ATOM 1147 NZ LYS A 72 -0.406 6.699 17.384 1.00 0.00 N ATOM 0 H LYS A 72 -1.827 4.061 11.796 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.959 2.188 13.745 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.348 3.996 14.656 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.473 3.976 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.276 6.242 13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.371 5.806 12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.487 7.185 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.857 5.550 15.421 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.529 5.267 16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.841 6.932 15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.395 6.728 18.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.822 7.649 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.124 6.035 17.738 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.453 4.088 14.548 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.456 4.294 15.571 1.00 0.00 C ATOM 1163 C GLY A 73 -5.532 3.223 15.570 1.00 0.00 C ATOM 1164 O GLY A 73 -6.550 3.367 16.244 1.00 0.00 O ATOM 0 H GLY A 73 -3.667 4.507 13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.972 4.315 16.548 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.921 5.269 15.425 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.318 2.138 14.833 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.336 1.094 14.723 1.00 0.00 C ATOM 1170 C ASN A 74 -5.713 -0.302 14.752 1.00 0.00 C ATOM 1171 O ASN A 74 -6.151 -1.163 15.512 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.137 1.280 13.424 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.458 0.514 13.383 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -9.417 0.957 12.750 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -8.535 -0.630 14.047 1.00 0.00 N ATOM 0 H ASN A 74 -4.462 1.958 14.309 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.002 1.183 15.581 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.342 2.342 13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.521 0.963 12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.403 -1.165 14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.726 -0.975 14.564 1.00 0.00 H new ATOM 1182 N LEU A 75 -4.701 -0.523 13.926 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.155 -1.863 13.734 1.00 0.00 C ATOM 1184 C LEU A 75 -2.675 -1.928 14.117 1.00 0.00 C ATOM 1185 O LEU A 75 -1.959 -2.828 13.691 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.340 -2.283 12.267 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.946 -3.727 11.925 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.900 -4.709 12.581 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.915 -3.932 10.417 1.00 0.00 C ATOM 0 H LEU A 75 -4.241 0.204 13.378 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.694 -2.550 14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.387 -2.140 11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.755 -1.610 11.641 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.945 -3.911 12.314 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.605 -5.727 12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.867 -4.580 13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.913 -4.525 12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.634 -4.962 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.902 -3.728 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.187 -3.253 9.972 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.214 -0.989 14.933 1.00 0.00 N ATOM 1202 CA GLU A 76 -0.802 -0.961 15.319 1.00 0.00 C ATOM 1203 C GLU A 76 -0.416 -2.244 16.057 1.00 0.00 C ATOM 1204 O GLU A 76 0.632 -2.831 15.794 1.00 0.00 O ATOM 1205 CB GLU A 76 -0.490 0.260 16.189 1.00 0.00 C ATOM 1206 CG GLU A 76 -1.200 0.265 17.535 1.00 0.00 C ATOM 1207 CD GLU A 76 -0.697 1.358 18.453 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.485 1.309 18.858 1.00 0.00 O ATOM 1209 OE2 GLU A 76 -1.484 2.259 18.794 1.00 0.00 O ATOM 0 H GLU A 76 -2.784 -0.246 15.337 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.212 -0.891 14.405 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.586 0.306 16.358 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.766 1.162 15.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.271 0.393 17.377 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.062 -0.702 18.018 1.00 0.00 H new ATOM 1451 N THR B 8 -14.965 -15.239 -8.021 1.00 0.00 N ATOM 1452 CA THR B 8 -15.703 -14.026 -7.732 1.00 0.00 C ATOM 1453 C THR B 8 -15.008 -13.228 -6.634 1.00 0.00 C ATOM 1454 O THR B 8 -14.720 -13.764 -5.562 1.00 0.00 O ATOM 1455 CB THR B 8 -17.146 -14.347 -7.294 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.128 -15.277 -6.200 1.00 0.00 O ATOM 1457 CG2 THR B 8 -17.947 -14.931 -8.448 1.00 0.00 C ATOM 0 HA THR B 8 -15.736 -13.433 -8.646 1.00 0.00 H new ATOM 0 HB THR B 8 -17.622 -13.419 -6.977 1.00 0.00 H new ATOM 0 HG1 THR B 8 -16.315 -15.142 -5.669 1.00 0.00 H new ATOM 0 HG21 THR B 8 -18.961 -15.149 -8.113 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.982 -14.213 -9.267 1.00 0.00 H new ATOM 0 HG23 THR B 8 -17.473 -15.850 -8.791 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.731 -11.962 -6.909 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.105 -11.090 -5.927 1.00 0.00 C ATOM 1467 C PHE B 9 -15.125 -10.095 -5.388 1.00 0.00 C ATOM 1468 O PHE B 9 -15.755 -9.359 -6.148 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.881 -10.373 -6.521 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.132 -9.659 -7.825 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -13.007 -10.330 -9.033 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -13.486 -8.317 -7.845 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -13.230 -9.679 -10.231 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -13.709 -7.661 -9.041 1.00 0.00 C ATOM 1475 CZ PHE B 9 -13.583 -8.343 -10.233 1.00 0.00 C ATOM 0 H PHE B 9 -14.930 -11.516 -7.804 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.748 -11.700 -5.097 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.514 -9.650 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.088 -11.105 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -12.732 -11.374 -9.037 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -13.588 -7.779 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -13.129 -10.213 -11.164 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -13.981 -6.616 -9.042 1.00 0.00 H new ATOM 0 HZ PHE B 9 -13.760 -7.833 -11.168 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.293 -10.095 -4.073 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.312 -9.278 -3.428 1.00 0.00 C ATOM 1487 C GLU B 10 -15.673 -8.253 -2.498 1.00 0.00 C ATOM 1488 O GLU B 10 -14.643 -8.528 -1.878 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.260 -10.175 -2.629 1.00 0.00 C ATOM 1490 CG GLU B 10 -17.902 -11.276 -3.456 1.00 0.00 C ATOM 1491 CD GLU B 10 -18.970 -10.756 -4.391 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -18.626 -10.174 -5.438 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.167 -10.925 -4.076 1.00 0.00 O ATOM 0 H GLU B 10 -14.734 -10.655 -3.429 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.870 -8.747 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -16.709 -10.627 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -18.044 -9.559 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -17.132 -11.784 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.339 -12.018 -2.788 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.283 -7.081 -2.401 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.812 -6.052 -1.485 1.00 0.00 C ATOM 1502 C ILE B 11 -16.480 -6.245 -0.128 1.00 0.00 C ATOM 1503 O ILE B 11 -17.625 -5.846 0.075 1.00 0.00 O ATOM 1504 CB ILE B 11 -16.112 -4.632 -2.014 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.526 -4.455 -3.420 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.546 -3.582 -1.065 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -15.859 -3.122 -4.059 1.00 0.00 C ATOM 0 H ILE B 11 -17.105 -6.819 -2.945 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.730 -6.149 -1.393 1.00 0.00 H new ATOM 0 HB ILE B 11 -17.193 -4.501 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -14.442 -4.561 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -15.895 -5.256 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.765 -2.587 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -16.001 -3.698 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.467 -3.710 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -15.410 -3.072 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -16.941 -3.020 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -15.466 -2.314 -3.441 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.763 -6.869 0.791 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.339 -7.272 2.067 1.00 0.00 C ATOM 1521 C GLU B 12 -16.284 -6.161 3.102 1.00 0.00 C ATOM 1522 O GLU B 12 -17.159 -6.064 3.963 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.603 -8.493 2.607 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.674 -9.697 1.693 1.00 0.00 C ATOM 1525 CD GLU B 12 -17.052 -10.329 1.641 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -18.054 -9.649 1.959 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -17.135 -11.526 1.296 1.00 0.00 O ATOM 0 H GLU B 12 -14.778 -7.109 0.679 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.387 -7.509 1.884 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.557 -8.233 2.771 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.021 -8.759 3.578 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -15.380 -9.399 0.687 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.952 -10.442 2.028 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.253 -5.333 3.027 1.00 0.00 N ATOM 1535 CA GLU B 13 -15.017 -4.342 4.065 1.00 0.00 C ATOM 1536 C GLU B 13 -14.260 -3.137 3.514 1.00 0.00 C ATOM 1537 O GLU B 13 -13.315 -3.288 2.735 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.227 -4.996 5.203 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.788 -4.731 6.589 1.00 0.00 C ATOM 1540 CD GLU B 13 -14.475 -3.343 7.098 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -15.198 -2.394 6.735 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -13.512 -3.202 7.883 1.00 0.00 O ATOM 0 H GLU B 13 -14.573 -5.327 2.267 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.975 -3.982 4.440 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.197 -6.073 5.036 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.198 -4.639 5.167 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -15.869 -4.870 6.570 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.385 -5.467 7.285 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.687 -1.953 3.921 1.00 0.00 N ATOM 1550 CA HIS B 14 -14.018 -0.713 3.550 1.00 0.00 C ATOM 1551 C HIS B 14 -13.242 -0.184 4.749 1.00 0.00 C ATOM 1552 O HIS B 14 -13.835 0.284 5.719 1.00 0.00 O ATOM 1553 CB HIS B 14 -15.040 0.332 3.063 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.488 1.724 2.916 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -13.900 2.193 1.761 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.442 2.754 3.798 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -13.516 3.443 1.941 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -13.833 3.804 3.167 1.00 0.00 N ATOM 0 H HIS B 14 -15.505 -1.822 4.516 1.00 0.00 H new ATOM 0 HA HIS B 14 -13.326 -0.910 2.731 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -15.440 0.010 2.101 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -15.875 0.358 3.763 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -13.780 1.658 0.901 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -14.817 2.746 4.811 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -13.025 4.065 1.207 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.923 -0.274 4.688 1.00 0.00 N ATOM 1568 CA LEU B 15 -11.088 0.189 5.784 1.00 0.00 C ATOM 1569 C LEU B 15 -11.067 1.712 5.829 1.00 0.00 C ATOM 1570 O LEU B 15 -11.673 2.321 6.712 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.670 -0.371 5.646 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.577 -1.898 5.680 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -8.142 -2.348 5.485 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -10.125 -2.441 6.991 1.00 0.00 C ATOM 0 H LEU B 15 -11.410 -0.661 3.896 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.509 -0.174 6.722 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.244 -0.016 4.708 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -9.055 0.034 6.449 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.180 -2.293 4.863 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.095 -3.437 5.512 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.777 -1.993 4.521 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.521 -1.938 6.281 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.049 -3.528 6.994 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.549 -2.035 7.822 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.170 -2.150 7.097 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.393 2.323 4.861 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.321 3.776 4.783 1.00 0.00 C ATOM 1588 C LEU B 16 -9.812 4.218 3.414 1.00 0.00 C ATOM 1589 O LEU B 16 -9.055 3.494 2.760 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.428 4.331 5.903 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.989 3.806 5.923 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.041 4.797 5.265 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.554 3.514 7.348 1.00 0.00 C ATOM 0 H LEU B 16 -9.889 1.835 4.120 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.325 4.178 4.916 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.398 5.417 5.815 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.893 4.101 6.862 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.955 2.878 5.352 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.026 4.402 5.292 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.342 4.955 4.229 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.075 5.745 5.802 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.530 3.142 7.347 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.607 4.428 7.939 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -8.213 2.762 7.783 1.00 0.00 H new ATOM 1605 N THR B 17 -10.254 5.391 2.982 1.00 0.00 N ATOM 1606 CA THR B 17 -9.824 5.961 1.716 1.00 0.00 C ATOM 1607 C THR B 17 -8.598 6.850 1.918 1.00 0.00 C ATOM 1608 O THR B 17 -8.552 7.650 2.854 1.00 0.00 O ATOM 1609 CB THR B 17 -10.960 6.788 1.070 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.135 5.976 0.924 1.00 0.00 O ATOM 1611 CG2 THR B 17 -10.546 7.327 -0.292 1.00 0.00 C ATOM 0 H THR B 17 -10.917 5.970 3.497 1.00 0.00 H new ATOM 0 HA THR B 17 -9.565 5.138 1.050 1.00 0.00 H new ATOM 0 HB THR B 17 -11.173 7.633 1.725 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.125 5.541 0.046 1.00 0.00 H new ATOM 0 HG21 THR B 17 -11.366 7.904 -0.720 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.672 7.968 -0.179 1.00 0.00 H new ATOM 0 HG23 THR B 17 -10.303 6.496 -0.954 1.00 0.00 H new ATOM 1619 N LEU B 18 -7.603 6.700 1.052 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.403 7.521 1.123 1.00 0.00 C ATOM 1621 C LEU B 18 -6.678 8.880 0.506 1.00 0.00 C ATOM 1622 O LEU B 18 -6.446 9.914 1.132 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.229 6.854 0.396 1.00 0.00 C ATOM 1624 CG LEU B 18 -4.914 5.421 0.827 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -3.674 4.917 0.109 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.728 5.340 2.334 1.00 0.00 C ATOM 0 H LEU B 18 -7.604 6.018 0.294 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.132 7.638 2.172 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.439 6.855 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.338 7.464 0.546 1.00 0.00 H new ATOM 0 HG LEU B 18 -5.757 4.786 0.555 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.461 3.896 0.425 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -3.844 4.936 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -2.826 5.557 0.354 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.505 4.312 2.618 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.903 5.987 2.634 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.642 5.664 2.831 1.00 0.00 H new ATOM 1638 N SER B 19 -7.177 8.868 -0.728 1.00 0.00 N ATOM 1639 CA SER B 19 -7.533 10.093 -1.427 1.00 0.00 C ATOM 1640 C SER B 19 -8.291 9.773 -2.713 1.00 0.00 C ATOM 1641 O SER B 19 -8.192 8.665 -3.246 1.00 0.00 O ATOM 1642 CB SER B 19 -6.281 10.901 -1.772 1.00 0.00 C ATOM 1643 OG SER B 19 -5.510 10.243 -2.765 1.00 0.00 O ATOM 0 H SER B 19 -7.343 8.016 -1.264 1.00 0.00 H new ATOM 0 HA SER B 19 -8.170 10.681 -0.767 1.00 0.00 H new ATOM 0 HB2 SER B 19 -6.569 11.891 -2.126 1.00 0.00 H new ATOM 0 HB3 SER B 19 -5.679 11.046 -0.875 1.00 0.00 H new ATOM 0 HG SER B 19 -4.716 10.779 -2.971 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.045 10.742 -3.194 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.682 10.653 -4.497 1.00 0.00 C ATOM 1651 C GLU B 20 -9.307 11.895 -5.288 1.00 0.00 C ATOM 1652 O GLU B 20 -9.812 12.984 -5.020 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.203 10.516 -4.345 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.975 10.470 -5.656 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.487 11.830 -6.081 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -13.345 12.393 -5.368 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.046 12.336 -7.134 1.00 0.00 O ATOM 0 H GLU B 20 -9.234 11.612 -2.696 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.339 9.767 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.417 9.608 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.571 11.353 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -11.331 10.068 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -12.817 9.785 -5.553 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.383 11.744 -6.221 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.826 12.898 -6.911 1.00 0.00 C ATOM 1666 C ASN B 21 -8.130 12.885 -8.405 1.00 0.00 C ATOM 1667 O ASN B 21 -8.743 11.943 -8.931 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.309 12.997 -6.691 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.531 11.847 -7.313 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -5.979 10.700 -7.322 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -4.358 12.150 -7.850 1.00 0.00 N ATOM 0 H ASN B 21 -8.005 10.844 -6.517 1.00 0.00 H new ATOM 0 HA ASN B 21 -8.309 13.775 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.949 13.937 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -6.106 13.026 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.795 11.422 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.018 13.111 -7.824 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.695 13.961 -9.061 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.790 14.129 -10.507 1.00 0.00 C ATOM 1680 C GLU B 22 -9.233 14.347 -10.948 1.00 0.00 C ATOM 1681 O GLU B 22 -9.652 15.483 -11.181 1.00 0.00 O ATOM 1682 CB GLU B 22 -7.172 12.943 -11.252 1.00 0.00 C ATOM 1683 CG GLU B 22 -6.962 13.215 -12.730 1.00 0.00 C ATOM 1684 CD GLU B 22 -6.547 11.981 -13.495 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.368 11.574 -13.396 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -7.405 11.415 -14.205 1.00 0.00 O ATOM 0 H GLU B 22 -7.259 14.754 -8.591 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.219 15.021 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -6.215 12.693 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -7.818 12.072 -11.137 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -7.884 13.610 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.200 13.985 -12.849 1.00 0.00 H new ATOM 1693 N LYS B 23 -9.988 13.262 -11.052 1.00 0.00 N ATOM 1694 CA LYS B 23 -11.362 13.334 -11.528 1.00 0.00 C ATOM 1695 C LYS B 23 -12.163 12.126 -11.065 1.00 0.00 C ATOM 1696 O LYS B 23 -13.186 11.787 -11.659 1.00 0.00 O ATOM 1697 CB LYS B 23 -11.389 13.415 -13.055 1.00 0.00 C ATOM 1698 CG LYS B 23 -10.774 12.207 -13.746 1.00 0.00 C ATOM 1699 CD LYS B 23 -10.898 12.316 -15.254 1.00 0.00 C ATOM 1700 CE LYS B 23 -10.118 13.503 -15.793 1.00 0.00 C ATOM 1701 NZ LYS B 23 -8.654 13.243 -15.828 1.00 0.00 N ATOM 0 H LYS B 23 -9.672 12.322 -10.813 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.816 14.233 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -12.422 13.524 -13.385 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -10.857 14.312 -13.371 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.723 12.123 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -11.268 11.298 -13.403 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.533 11.399 -15.717 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.948 12.415 -15.527 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -10.468 13.739 -16.798 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -10.315 14.377 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -8.140 14.125 -15.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -8.410 12.533 -15.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -8.387 12.889 -16.769 1.00 0.00 H new ATOM 1715 N GLY B 24 -11.707 11.484 -10.002 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.409 10.321 -9.505 1.00 0.00 C ATOM 1717 C GLY B 24 -11.500 9.132 -9.286 1.00 0.00 C ATOM 1718 O GLY B 24 -11.954 8.071 -8.856 1.00 0.00 O ATOM 0 H GLY B 24 -10.871 11.744 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -12.900 10.574 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -13.193 10.047 -10.211 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.213 9.296 -9.569 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.265 8.216 -9.362 1.00 0.00 C ATOM 1724 C TRP B 25 -8.977 8.065 -7.880 1.00 0.00 C ATOM 1725 O TRP B 25 -8.163 8.786 -7.298 1.00 0.00 O ATOM 1726 CB TRP B 25 -7.984 8.425 -10.173 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.074 7.817 -11.542 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -8.695 8.344 -12.637 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -7.549 6.545 -11.950 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -8.597 7.478 -13.700 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -7.888 6.366 -13.304 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -6.822 5.542 -11.302 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -7.529 5.219 -14.020 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -6.466 4.410 -12.012 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -6.818 4.255 -13.359 1.00 0.00 C ATOM 0 H TRP B 25 -9.809 10.157 -9.938 1.00 0.00 H new ATOM 0 HA TRP B 25 -9.709 7.288 -9.723 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -7.784 9.493 -10.264 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.142 7.987 -9.638 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.192 9.303 -12.664 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -8.986 7.634 -14.630 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -6.543 5.649 -10.264 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -7.803 5.099 -15.058 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -5.905 3.630 -11.518 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -6.523 3.359 -13.885 1.00 0.00 H new ATOM 1746 N THR B 26 -9.685 7.131 -7.277 1.00 0.00 N ATOM 1747 CA THR B 26 -9.664 6.953 -5.844 1.00 0.00 C ATOM 1748 C THR B 26 -8.614 5.926 -5.439 1.00 0.00 C ATOM 1749 O THR B 26 -8.447 4.902 -6.097 1.00 0.00 O ATOM 1750 CB THR B 26 -11.049 6.490 -5.351 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.076 7.255 -6.003 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.179 6.652 -3.843 1.00 0.00 C ATOM 0 H THR B 26 -10.291 6.475 -7.770 1.00 0.00 H new ATOM 0 HA THR B 26 -9.412 7.910 -5.387 1.00 0.00 H new ATOM 0 HB THR B 26 -11.160 5.434 -5.595 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.955 6.957 -5.689 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.166 6.317 -3.525 1.00 0.00 H new ATOM 0 HG22 THR B 26 -10.415 6.054 -3.346 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.048 7.701 -3.577 1.00 0.00 H new ATOM 1760 N LYS B 27 -7.906 6.220 -4.364 1.00 0.00 N ATOM 1761 CA LYS B 27 -6.951 5.290 -3.785 1.00 0.00 C ATOM 1762 C LYS B 27 -7.370 4.965 -2.365 1.00 0.00 C ATOM 1763 O LYS B 27 -7.499 5.868 -1.539 1.00 0.00 O ATOM 1764 CB LYS B 27 -5.536 5.882 -3.771 1.00 0.00 C ATOM 1765 CG LYS B 27 -4.651 5.413 -4.917 1.00 0.00 C ATOM 1766 CD LYS B 27 -5.076 5.990 -6.263 1.00 0.00 C ATOM 1767 CE LYS B 27 -4.542 7.405 -6.499 1.00 0.00 C ATOM 1768 NZ LYS B 27 -5.041 8.390 -5.500 1.00 0.00 N ATOM 0 H LYS B 27 -7.976 7.108 -3.868 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.939 4.387 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.609 6.969 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.056 5.624 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -3.619 5.698 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.677 4.325 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.723 5.336 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -6.164 6.004 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.453 7.386 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -4.828 7.733 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.067 9.337 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.998 8.121 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.406 8.401 -4.676 1.00 0.00 H new ATOM 1782 N GLU B 28 -7.610 3.697 -2.083 1.00 0.00 N ATOM 1783 CA GLU B 28 -7.978 3.285 -0.739 1.00 0.00 C ATOM 1784 C GLU B 28 -7.629 1.831 -0.498 1.00 0.00 C ATOM 1785 O GLU B 28 -7.238 1.112 -1.420 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.468 3.517 -0.481 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.400 2.779 -1.426 1.00 0.00 C ATOM 1788 CD GLU B 28 -11.854 2.998 -1.065 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.291 4.167 -1.044 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.559 2.011 -0.769 1.00 0.00 O ATOM 0 H GLU B 28 -7.557 2.938 -2.762 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.406 3.897 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.697 3.216 0.541 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -9.673 4.585 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.224 3.116 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.175 1.713 -1.399 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.762 1.410 0.750 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.481 0.041 1.128 1.00 0.00 C ATOM 1799 C ILE B 29 -8.768 -0.641 1.561 1.00 0.00 C ATOM 1800 O ILE B 29 -9.543 -0.087 2.346 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.444 -0.027 2.267 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.197 0.779 1.888 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.077 -1.476 2.559 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.131 0.796 2.959 1.00 0.00 C ATOM 0 H ILE B 29 -8.065 2.005 1.521 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.063 -0.473 0.262 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.878 0.406 3.168 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.773 0.365 0.973 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.492 1.805 1.667 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.344 -1.510 3.365 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.970 -2.025 2.857 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.653 -1.932 1.664 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.281 1.386 2.617 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.537 1.238 3.869 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.806 -0.224 3.165 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.997 -1.837 1.052 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.247 -2.534 1.297 1.00 0.00 C ATOM 1818 C ASN B 30 -10.007 -4.026 1.488 1.00 0.00 C ATOM 1819 O ASN B 30 -8.879 -4.504 1.360 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.244 -2.292 0.148 1.00 0.00 C ATOM 1821 CG ASN B 30 -10.895 -3.014 -1.150 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -11.786 -3.425 -1.891 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -9.611 -3.146 -1.453 1.00 0.00 N ATOM 0 H ASN B 30 -8.335 -2.346 0.467 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.679 -2.136 2.215 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.236 -2.609 0.471 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.300 -1.221 -0.049 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -9.337 -3.600 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -8.898 -2.793 -0.815 1.00 0.00 H new ATOM 1830 N ARG B 31 -11.068 -4.746 1.817 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.993 -6.186 2.005 1.00 0.00 C ATOM 1832 C ARG B 31 -11.752 -6.913 0.903 1.00 0.00 C ATOM 1833 O ARG B 31 -12.986 -6.921 0.887 1.00 0.00 O ATOM 1834 CB ARG B 31 -11.554 -6.572 3.376 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.587 -6.324 4.521 1.00 0.00 C ATOM 1836 CD ARG B 31 -11.233 -6.568 5.882 1.00 0.00 C ATOM 1837 NE ARG B 31 -12.062 -7.777 5.911 1.00 0.00 N ATOM 1838 CZ ARG B 31 -11.586 -9.022 5.930 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -10.277 -9.246 5.894 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -12.426 -10.045 5.984 1.00 0.00 N ATOM 0 H ARG B 31 -11.998 -4.353 1.960 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.946 -6.484 1.956 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.470 -6.009 3.556 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.826 -7.627 3.364 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.720 -6.975 4.410 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.223 -5.298 4.472 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.453 -6.650 6.639 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.846 -5.707 6.147 1.00 0.00 H new ATOM 0 HE ARG B 31 -13.075 -7.657 5.917 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.626 -8.462 5.851 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.923 -10.202 5.909 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.432 -9.878 6.011 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.067 -11.000 5.999 1.00 0.00 H new ATOM 1854 N VAL B 32 -11.014 -7.510 -0.024 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.617 -8.248 -1.125 1.00 0.00 C ATOM 1856 C VAL B 32 -11.552 -9.752 -0.876 1.00 0.00 C ATOM 1857 O VAL B 32 -10.483 -10.302 -0.598 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.930 -7.923 -2.467 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.567 -8.703 -3.607 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.987 -6.431 -2.749 1.00 0.00 C ATOM 0 H VAL B 32 -9.994 -7.497 -0.035 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.660 -7.938 -1.182 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.885 -8.223 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.065 -8.456 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.471 -9.772 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.622 -8.441 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.497 -6.221 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -12.027 -6.109 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.477 -5.890 -1.952 1.00 0.00 H new ATOM 1870 N SER B 33 -12.697 -10.409 -0.958 1.00 0.00 N ATOM 1871 CA SER B 33 -12.765 -11.849 -0.789 1.00 0.00 C ATOM 1872 C SER B 33 -12.772 -12.542 -2.142 1.00 0.00 C ATOM 1873 O SER B 33 -13.281 -12.004 -3.123 1.00 0.00 O ATOM 1874 CB SER B 33 -14.014 -12.232 0.005 1.00 0.00 C ATOM 1875 OG SER B 33 -15.186 -11.742 -0.619 1.00 0.00 O ATOM 0 H SER B 33 -13.596 -9.964 -1.142 1.00 0.00 H new ATOM 0 HA SER B 33 -11.884 -12.174 -0.235 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.073 -13.317 0.095 1.00 0.00 H new ATOM 0 HB3 SER B 33 -13.942 -11.832 1.016 1.00 0.00 H new ATOM 0 HG SER B 33 -15.937 -11.792 0.009 1.00 0.00 H new ATOM 1881 N PHE B 34 -12.184 -13.725 -2.194 1.00 0.00 N ATOM 1882 CA PHE B 34 -12.173 -14.511 -3.413 1.00 0.00 C ATOM 1883 C PHE B 34 -12.946 -15.802 -3.200 1.00 0.00 C ATOM 1884 O PHE B 34 -12.491 -16.692 -2.475 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.736 -14.801 -3.851 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.941 -13.556 -4.141 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -10.022 -12.942 -5.379 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -9.123 -12.999 -3.171 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.300 -11.793 -5.647 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.399 -11.850 -3.432 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.487 -11.247 -4.673 1.00 0.00 C ATOM 0 H PHE B 34 -11.708 -14.162 -1.405 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.657 -13.942 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -10.233 -15.371 -3.070 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -10.754 -15.428 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.656 -13.365 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -9.050 -13.467 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -9.372 -11.323 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.766 -11.424 -2.668 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.921 -10.351 -4.880 1.00 0.00 H new ATOM 1901 N ASN B 35 -14.125 -15.870 -3.814 1.00 0.00 N ATOM 1902 CA ASN B 35 -15.038 -17.014 -3.692 1.00 0.00 C ATOM 1903 C ASN B 35 -15.520 -17.205 -2.257 1.00 0.00 C ATOM 1904 O ASN B 35 -16.621 -16.783 -1.906 1.00 0.00 O ATOM 1905 CB ASN B 35 -14.397 -18.305 -4.221 1.00 0.00 C ATOM 1906 CG ASN B 35 -14.225 -18.279 -5.725 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -14.049 -17.220 -6.322 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -14.272 -19.440 -6.348 1.00 0.00 N ATOM 0 H ASN B 35 -14.481 -15.128 -4.417 1.00 0.00 H new ATOM 0 HA ASN B 35 -15.908 -16.789 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -13.426 -18.448 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -15.016 -19.158 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.160 -19.480 -7.361 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -14.420 -20.298 -5.817 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.693 -17.830 -1.430 1.00 0.00 N ATOM 1916 CA GLY B 36 -15.057 -18.057 -0.045 1.00 0.00 C ATOM 1917 C GLY B 36 -13.914 -17.747 0.897 1.00 0.00 C ATOM 1918 O GLY B 36 -13.917 -18.176 2.050 1.00 0.00 O ATOM 0 H GLY B 36 -13.774 -18.185 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -15.916 -17.437 0.211 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -15.363 -19.095 0.085 1.00 0.00 H new ATOM 1922 N ALA B 37 -12.928 -17.010 0.399 1.00 0.00 N ATOM 1923 CA ALA B 37 -11.767 -16.635 1.195 1.00 0.00 C ATOM 1924 C ALA B 37 -12.143 -15.602 2.255 1.00 0.00 C ATOM 1925 O ALA B 37 -13.097 -14.845 2.074 1.00 0.00 O ATOM 1926 CB ALA B 37 -10.671 -16.088 0.290 1.00 0.00 C ATOM 0 H ALA B 37 -12.911 -16.659 -0.558 1.00 0.00 H new ATOM 0 HA ALA B 37 -11.397 -17.524 1.705 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -9.806 -15.810 0.893 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -10.380 -16.852 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -11.041 -15.210 -0.240 1.00 0.00 H new ATOM 1932 N PRO B 38 -11.386 -15.542 3.367 1.00 0.00 N ATOM 1933 CA PRO B 38 -11.656 -14.605 4.471 1.00 0.00 C ATOM 1934 C PRO B 38 -11.330 -13.149 4.121 1.00 0.00 C ATOM 1935 O PRO B 38 -11.259 -12.298 5.008 1.00 0.00 O ATOM 1936 CB PRO B 38 -10.735 -15.104 5.589 1.00 0.00 C ATOM 1937 CG PRO B 38 -9.614 -15.783 4.882 1.00 0.00 C ATOM 1938 CD PRO B 38 -10.214 -16.398 3.649 1.00 0.00 C ATOM 0 HA PRO B 38 -12.714 -14.593 4.734 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.374 -14.278 6.202 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.257 -15.791 6.255 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.830 -15.072 4.621 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.157 -16.544 5.515 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.509 -16.398 2.818 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -10.506 -17.434 3.820 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.138 -12.887 2.825 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.864 -11.547 2.298 1.00 0.00 C ATOM 1948 C ALA B 39 -9.473 -11.046 2.682 1.00 0.00 C ATOM 1949 O ALA B 39 -9.050 -11.135 3.837 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.938 -10.554 2.728 1.00 0.00 C ATOM 0 H ALA B 39 -11.169 -13.608 2.104 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.887 -11.626 1.211 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.707 -9.569 2.322 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.908 -10.882 2.354 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.968 -10.499 3.816 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.765 -10.518 1.697 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.427 -9.987 1.912 1.00 0.00 C ATOM 1958 C LYS B 40 -7.469 -8.468 1.979 1.00 0.00 C ATOM 1959 O LYS B 40 -8.504 -7.858 1.716 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.480 -10.437 0.795 1.00 0.00 C ATOM 1961 CG LYS B 40 -6.150 -11.920 0.828 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.344 -12.281 2.063 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.994 -13.761 2.094 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.168 -14.169 0.925 1.00 0.00 N ATOM 0 H LYS B 40 -9.096 -10.445 0.735 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.053 -10.374 2.860 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.930 -10.196 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.554 -9.867 0.866 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.073 -12.500 0.812 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.588 -12.189 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.428 -11.690 2.085 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -5.912 -12.023 2.957 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.454 -13.986 3.014 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.912 -14.349 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.771 -15.115 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.761 -14.189 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -3.394 -13.488 0.792 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.343 -7.862 2.329 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.255 -6.414 2.417 1.00 0.00 C ATOM 1980 C PHE B 41 -5.440 -5.892 1.246 1.00 0.00 C ATOM 1981 O PHE B 41 -4.251 -6.181 1.145 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.579 -5.991 3.726 1.00 0.00 C ATOM 1983 CG PHE B 41 -6.158 -6.625 4.963 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -7.244 -6.057 5.610 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -5.608 -7.787 5.485 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -7.771 -6.635 6.751 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -6.131 -8.369 6.624 1.00 0.00 C ATOM 1988 CZ PHE B 41 -7.214 -7.792 7.257 1.00 0.00 C ATOM 0 H PHE B 41 -5.478 -8.352 2.556 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.263 -6.000 2.392 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.519 -6.238 3.669 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.649 -4.907 3.822 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -7.684 -5.152 5.219 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.760 -8.242 4.995 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -8.617 -6.181 7.245 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -5.693 -9.274 7.019 1.00 0.00 H new ATOM 0 HZ PHE B 41 -7.625 -8.245 8.147 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.061 -5.141 0.354 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.343 -4.634 -0.806 1.00 0.00 C ATOM 2000 C ASP B 42 -5.534 -3.138 -0.971 1.00 0.00 C ATOM 2001 O ASP B 42 -6.560 -2.576 -0.582 1.00 0.00 O ATOM 2002 CB ASP B 42 -5.760 -5.373 -2.085 1.00 0.00 C ATOM 2003 CG ASP B 42 -7.180 -5.097 -2.531 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -7.434 -4.042 -3.148 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -8.038 -5.967 -2.319 1.00 0.00 O ATOM 0 H ASP B 42 -7.043 -4.871 0.406 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.283 -4.820 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -5.079 -5.095 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -5.644 -6.445 -1.925 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.509 -2.500 -1.514 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.558 -1.087 -1.838 1.00 0.00 C ATOM 2012 C ILE B 43 -4.894 -0.936 -3.311 1.00 0.00 C ATOM 2013 O ILE B 43 -4.055 -1.203 -4.174 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.210 -0.396 -1.551 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -2.722 -0.748 -0.139 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.346 1.114 -1.709 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.380 -0.144 0.214 1.00 0.00 C ATOM 0 H ILE B 43 -3.622 -2.949 -1.741 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.319 -0.614 -1.217 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.473 -0.753 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.463 -0.411 0.586 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -2.657 -1.832 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.387 1.589 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.655 1.347 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.093 1.487 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.104 -0.438 1.227 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.625 -0.501 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.444 0.943 0.156 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.116 -0.527 -3.603 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.600 -0.552 -4.971 1.00 0.00 C ATOM 2031 C ARG B 44 -7.074 0.827 -5.417 1.00 0.00 C ATOM 2032 O ARG B 44 -7.260 1.731 -4.599 1.00 0.00 O ATOM 2033 CB ARG B 44 -7.729 -1.578 -5.096 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.856 -2.186 -6.481 1.00 0.00 C ATOM 2035 CD ARG B 44 -8.906 -3.287 -6.518 1.00 0.00 C ATOM 2036 NE ARG B 44 -8.622 -4.362 -5.566 1.00 0.00 N ATOM 2037 CZ ARG B 44 -8.698 -5.660 -5.856 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -8.942 -6.056 -7.098 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -8.512 -6.564 -4.908 1.00 0.00 N ATOM 0 H ARG B 44 -6.786 -0.177 -2.918 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.777 -0.841 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -7.563 -2.377 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -8.672 -1.100 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.119 -1.408 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.893 -2.591 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.884 -2.860 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -8.958 -3.702 -7.525 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.348 -4.100 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.073 -5.365 -7.837 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.999 -7.051 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -8.310 -6.268 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -8.571 -7.557 -5.132 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.259 0.976 -6.721 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.659 2.242 -7.303 1.00 0.00 C ATOM 2055 C ALA B 45 -9.011 2.115 -7.989 1.00 0.00 C ATOM 2056 O ALA B 45 -9.247 1.171 -8.747 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.609 2.714 -8.296 1.00 0.00 C ATOM 0 H ALA B 45 -7.136 0.225 -7.400 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.748 2.978 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.918 3.666 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.655 2.841 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.500 1.974 -9.089 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.892 3.062 -7.714 1.00 0.00 N ATOM 2064 CA TRP B 46 -11.202 3.106 -8.346 1.00 0.00 C ATOM 2065 C TRP B 46 -11.245 4.271 -9.326 1.00 0.00 C ATOM 2066 O TRP B 46 -10.533 5.260 -9.144 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.309 3.243 -7.295 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.267 2.181 -6.235 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -12.119 2.372 -4.892 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -12.361 0.762 -6.430 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.127 1.163 -4.238 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -12.272 0.159 -5.160 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -12.517 -0.057 -7.553 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -12.332 -1.221 -4.983 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -12.575 -1.427 -7.377 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -12.485 -1.997 -6.101 1.00 0.00 C ATOM 0 H TRP B 46 -9.722 3.818 -7.051 1.00 0.00 H new ATOM 0 HA TRP B 46 -11.371 2.174 -8.885 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.229 4.221 -6.821 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -13.278 3.209 -7.793 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -12.011 3.334 -4.412 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.039 1.034 -3.230 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -12.591 0.373 -8.541 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -12.261 -1.663 -4.000 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -12.692 -2.068 -8.238 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -12.537 -3.071 -5.996 1.00 0.00 H new ATOM 2087 N SER B 47 -12.070 4.162 -10.360 1.00 0.00 N ATOM 2088 CA SER B 47 -12.068 5.156 -11.424 1.00 0.00 C ATOM 2089 C SER B 47 -13.314 5.045 -12.302 1.00 0.00 C ATOM 2090 O SER B 47 -13.908 3.973 -12.414 1.00 0.00 O ATOM 2091 CB SER B 47 -10.807 4.963 -12.269 1.00 0.00 C ATOM 2092 OG SER B 47 -10.832 5.753 -13.445 1.00 0.00 O ATOM 0 H SER B 47 -12.742 3.404 -10.484 1.00 0.00 H new ATOM 0 HA SER B 47 -12.076 6.150 -10.977 1.00 0.00 H new ATOM 0 HB2 SER B 47 -9.930 5.222 -11.676 1.00 0.00 H new ATOM 0 HB3 SER B 47 -10.709 3.912 -12.540 1.00 0.00 H new ATOM 0 HG SER B 47 -10.027 6.311 -13.481 1.00 0.00 H new ATOM 2202 N LYS B 55 -2.898 -1.692 -11.069 1.00 0.00 N ATOM 2203 CA LYS B 55 -1.631 -1.741 -10.354 1.00 0.00 C ATOM 2204 C LYS B 55 -1.860 -1.834 -8.851 1.00 0.00 C ATOM 2205 O LYS B 55 -0.913 -1.804 -8.067 1.00 0.00 O ATOM 2206 CB LYS B 55 -0.769 -0.524 -10.682 1.00 0.00 C ATOM 2207 CG LYS B 55 -1.416 0.816 -10.357 1.00 0.00 C ATOM 2208 CD LYS B 55 -0.393 1.938 -10.423 1.00 0.00 C ATOM 2209 CE LYS B 55 0.288 1.995 -11.782 1.00 0.00 C ATOM 2210 NZ LYS B 55 1.540 2.795 -11.748 1.00 0.00 N ATOM 0 HA LYS B 55 -1.101 -2.636 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS B 55 0.170 -0.602 -10.134 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.522 -0.546 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.226 1.014 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -1.859 0.779 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -0.883 2.890 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS B 55 0.357 1.794 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS B 55 0.515 0.982 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.397 2.426 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 1.970 2.807 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 1.322 3.769 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 2.205 2.370 -11.071 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.125 -1.938 -8.461 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.456 -2.156 -7.070 1.00 0.00 C ATOM 2226 C GLY B 56 -2.864 -3.453 -6.569 1.00 0.00 C ATOM 2227 O GLY B 56 -2.958 -4.485 -7.245 1.00 0.00 O ATOM 0 H GLY B 56 -3.928 -1.875 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.083 -1.326 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.539 -2.176 -6.949 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.270 -3.422 -5.392 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.498 -4.552 -4.918 1.00 0.00 C ATOM 2233 C ILE B 57 -2.066 -5.095 -3.607 1.00 0.00 C ATOM 2234 O ILE B 57 -2.461 -4.334 -2.720 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.005 -4.164 -4.768 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.864 -5.400 -4.540 1.00 0.00 C ATOM 2237 CG2 ILE B 57 0.194 -3.156 -3.642 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.344 -5.123 -4.690 1.00 0.00 C ATOM 0 H ILE B 57 -2.307 -2.630 -4.750 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.567 -5.349 -5.658 1.00 0.00 H new ATOM 0 HB ILE B 57 0.306 -3.695 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.673 -5.791 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.573 -6.177 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.251 -2.904 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.379 -2.254 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.148 -3.589 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.905 -6.041 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.546 -4.760 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.648 -4.368 -3.965 1.00 0.00 H new ATOM 2250 N THR B 58 -2.130 -6.415 -3.509 1.00 0.00 N ATOM 2251 CA THR B 58 -2.744 -7.077 -2.370 1.00 0.00 C ATOM 2252 C THR B 58 -1.709 -7.422 -1.299 1.00 0.00 C ATOM 2253 O THR B 58 -0.563 -7.758 -1.609 1.00 0.00 O ATOM 2254 CB THR B 58 -3.459 -8.364 -2.825 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.269 -8.087 -3.977 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.332 -8.929 -1.717 1.00 0.00 C ATOM 0 H THR B 58 -1.760 -7.053 -4.213 1.00 0.00 H new ATOM 0 HA THR B 58 -3.469 -6.387 -1.938 1.00 0.00 H new ATOM 0 HB THR B 58 -2.698 -9.104 -3.075 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.721 -8.908 -4.264 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.823 -9.836 -2.068 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.714 -9.163 -0.850 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.086 -8.193 -1.437 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.117 -7.315 -0.043 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.268 -7.674 1.079 1.00 0.00 C ATOM 2266 C LEU B 59 -1.961 -8.724 1.934 1.00 0.00 C ATOM 2267 O LEU B 59 -3.190 -8.750 2.027 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.948 -6.451 1.950 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.146 -5.330 1.279 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -1.042 -4.445 0.424 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.572 -4.509 2.336 1.00 0.00 C ATOM 0 H LEU B 59 -3.042 -6.978 0.224 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.335 -8.071 0.679 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.888 -6.031 2.309 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.395 -6.790 2.826 1.00 0.00 H new ATOM 0 HG LEU B 59 0.593 -5.782 0.617 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.444 -3.660 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.513 -5.047 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -1.812 -3.994 1.050 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.141 -3.713 1.855 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -0.159 -4.072 3.016 1.00 0.00 H new ATOM 0 HD23 LEU B 59 1.250 -5.152 2.897 1.00 0.00 H new ATOM 2283 N SER B 60 -1.180 -9.598 2.543 1.00 0.00 N ATOM 2284 CA SER B 60 -1.721 -10.553 3.493 1.00 0.00 C ATOM 2285 C SER B 60 -1.788 -9.911 4.874 1.00 0.00 C ATOM 2286 O SER B 60 -1.239 -8.831 5.080 1.00 0.00 O ATOM 2287 CB SER B 60 -0.876 -11.828 3.516 1.00 0.00 C ATOM 2288 OG SER B 60 0.504 -11.537 3.652 1.00 0.00 O ATOM 0 H SER B 60 -0.173 -9.666 2.398 1.00 0.00 H new ATOM 0 HA SER B 60 -2.729 -10.834 3.188 1.00 0.00 H new ATOM 0 HB2 SER B 60 -1.197 -12.463 4.341 1.00 0.00 H new ATOM 0 HB3 SER B 60 -1.041 -12.391 2.597 1.00 0.00 H new ATOM 0 HG SER B 60 0.852 -11.196 2.802 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.460 -10.571 5.808 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.666 -10.018 7.147 1.00 0.00 C ATOM 2296 C ASN B 61 -1.333 -9.677 7.814 1.00 0.00 C ATOM 2297 O ASN B 61 -1.177 -8.604 8.395 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.445 -11.012 8.014 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.801 -10.459 9.386 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -3.863 -11.203 10.362 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.058 -9.161 9.470 1.00 0.00 N ATOM 0 H ASN B 61 -2.874 -11.492 5.666 1.00 0.00 H new ATOM 0 HA ASN B 61 -3.243 -9.098 7.047 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -4.360 -11.297 7.495 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.853 -11.919 8.137 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -4.317 -8.749 10.367 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -3.996 -8.574 8.638 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.373 -10.584 7.698 1.00 0.00 N ATOM 2309 CA GLU B 62 0.946 -10.402 8.297 1.00 0.00 C ATOM 2310 C GLU B 62 1.687 -9.216 7.679 1.00 0.00 C ATOM 2311 O GLU B 62 2.224 -8.372 8.399 1.00 0.00 O ATOM 2312 CB GLU B 62 1.786 -11.684 8.178 1.00 0.00 C ATOM 2313 CG GLU B 62 1.599 -12.455 6.875 1.00 0.00 C ATOM 2314 CD GLU B 62 0.406 -13.395 6.909 1.00 0.00 C ATOM 2315 OE1 GLU B 62 -0.722 -12.952 6.604 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.584 -14.577 7.255 1.00 0.00 O ATOM 0 H GLU B 62 -0.483 -11.462 7.190 1.00 0.00 H new ATOM 0 HA GLU B 62 0.795 -10.185 9.354 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.839 -11.422 8.280 1.00 0.00 H new ATOM 0 HB3 GLU B 62 1.539 -12.342 9.011 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.474 -11.748 6.055 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.502 -13.029 6.666 1.00 0.00 H new ATOM 2323 N GLU B 63 1.703 -9.147 6.351 1.00 0.00 N ATOM 2324 CA GLU B 63 2.362 -8.048 5.643 1.00 0.00 C ATOM 2325 C GLU B 63 1.686 -6.725 5.973 1.00 0.00 C ATOM 2326 O GLU B 63 2.345 -5.715 6.227 1.00 0.00 O ATOM 2327 CB GLU B 63 2.308 -8.276 4.133 1.00 0.00 C ATOM 2328 CG GLU B 63 2.931 -9.583 3.681 1.00 0.00 C ATOM 2329 CD GLU B 63 2.645 -9.871 2.224 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.459 -9.809 1.825 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.592 -10.144 1.465 1.00 0.00 O ATOM 0 H GLU B 63 1.267 -9.839 5.741 1.00 0.00 H new ATOM 0 HA GLU B 63 3.403 -8.014 5.965 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.267 -8.251 3.810 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.817 -7.452 3.634 1.00 0.00 H new ATOM 0 HG2 GLU B 63 4.009 -9.545 3.839 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.548 -10.399 4.294 1.00 0.00 H new ATOM 2338 N PHE B 64 0.362 -6.753 5.972 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.444 -5.578 6.261 1.00 0.00 C ATOM 2340 C PHE B 64 -0.140 -5.067 7.666 1.00 0.00 C ATOM 2341 O PHE B 64 0.102 -3.879 7.869 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.924 -5.939 6.129 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.828 -4.757 5.961 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.900 -4.097 4.746 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.613 -4.312 7.009 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.739 -3.014 4.583 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.454 -3.232 6.852 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.516 -2.582 5.638 1.00 0.00 C ATOM 0 H PHE B 64 -0.183 -7.591 5.771 1.00 0.00 H new ATOM 0 HA PHE B 64 -0.205 -4.786 5.551 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -2.050 -6.604 5.275 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -2.232 -6.496 7.014 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -2.294 -4.433 3.918 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.566 -4.817 7.962 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.787 -2.505 3.631 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -5.063 -2.896 7.678 1.00 0.00 H new ATOM 0 HZ PHE B 64 -5.173 -1.734 5.513 1.00 0.00 H new ATOM 2358 N GLN B 65 -0.141 -5.985 8.626 1.00 0.00 N ATOM 2359 CA GLN B 65 0.218 -5.672 10.002 1.00 0.00 C ATOM 2360 C GLN B 65 1.609 -5.036 10.070 1.00 0.00 C ATOM 2361 O GLN B 65 1.814 -4.041 10.771 1.00 0.00 O ATOM 2362 CB GLN B 65 0.177 -6.950 10.848 1.00 0.00 C ATOM 2363 CG GLN B 65 0.597 -6.754 12.296 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.305 -5.800 13.049 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -1.298 -6.208 13.652 1.00 0.00 O ATOM 2366 NE2 GLN B 65 0.043 -4.524 13.028 1.00 0.00 N ATOM 0 H GLN B 65 -0.390 -6.962 8.472 1.00 0.00 H new ATOM 0 HA GLN B 65 -0.502 -4.955 10.397 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.835 -7.354 10.827 1.00 0.00 H new ATOM 0 HB3 GLN B 65 0.827 -7.696 10.391 1.00 0.00 H new ATOM 0 HG2 GLN B 65 0.599 -7.719 12.802 1.00 0.00 H new ATOM 0 HG3 GLN B 65 1.619 -6.377 12.324 1.00 0.00 H new ATOM 0 HE21 GLN B 65 0.874 -4.230 12.515 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -0.520 -3.834 13.525 1.00 0.00 H new ATOM 2375 N THR B 66 2.548 -5.608 9.325 1.00 0.00 N ATOM 2376 CA THR B 66 3.925 -5.134 9.320 1.00 0.00 C ATOM 2377 C THR B 66 4.039 -3.692 8.823 1.00 0.00 C ATOM 2378 O THR B 66 4.763 -2.883 9.409 1.00 0.00 O ATOM 2379 CB THR B 66 4.819 -6.061 8.468 1.00 0.00 C ATOM 2380 OG1 THR B 66 4.953 -7.327 9.125 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.195 -5.456 8.237 1.00 0.00 C ATOM 0 H THR B 66 2.378 -6.406 8.713 1.00 0.00 H new ATOM 0 HA THR B 66 4.271 -5.154 10.354 1.00 0.00 H new ATOM 0 HB THR B 66 4.344 -6.191 7.496 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.137 -7.853 8.991 1.00 0.00 H new ATOM 0 HG21 THR B 66 6.795 -6.137 7.634 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.091 -4.505 7.715 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.686 -5.292 9.196 1.00 0.00 H new ATOM 2389 N MET B 67 3.316 -3.356 7.760 1.00 0.00 N ATOM 2390 CA MET B 67 3.397 -2.012 7.211 1.00 0.00 C ATOM 2391 C MET B 67 2.849 -1.002 8.218 1.00 0.00 C ATOM 2392 O MET B 67 3.343 0.118 8.318 1.00 0.00 O ATOM 2393 CB MET B 67 2.657 -1.899 5.868 1.00 0.00 C ATOM 2394 CG MET B 67 1.161 -1.669 5.992 1.00 0.00 C ATOM 2395 SD MET B 67 0.371 -1.346 4.408 1.00 0.00 S ATOM 2396 CE MET B 67 -1.246 -0.809 4.961 1.00 0.00 C ATOM 0 H MET B 67 2.679 -3.984 7.270 1.00 0.00 H new ATOM 0 HA MET B 67 4.447 -1.790 7.020 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.092 -1.080 5.296 1.00 0.00 H new ATOM 0 HB3 MET B 67 2.826 -2.812 5.297 1.00 0.00 H new ATOM 0 HG2 MET B 67 0.700 -2.544 6.451 1.00 0.00 H new ATOM 0 HG3 MET B 67 0.982 -0.827 6.661 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.945 -0.841 4.126 1.00 0.00 H new ATOM 0 HE2 MET B 67 -1.597 -1.469 5.754 1.00 0.00 H new ATOM 0 HE3 MET B 67 -1.181 0.211 5.340 1.00 0.00 H new ATOM 2406 N VAL B 68 1.854 -1.424 8.990 1.00 0.00 N ATOM 2407 CA VAL B 68 1.247 -0.559 9.990 1.00 0.00 C ATOM 2408 C VAL B 68 2.225 -0.243 11.120 1.00 0.00 C ATOM 2409 O VAL B 68 2.432 0.920 11.462 1.00 0.00 O ATOM 2410 CB VAL B 68 -0.026 -1.196 10.587 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.619 -0.310 11.672 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -1.057 -1.466 9.502 1.00 0.00 C ATOM 0 H VAL B 68 1.452 -2.360 8.941 1.00 0.00 H new ATOM 0 HA VAL B 68 0.978 0.367 9.482 1.00 0.00 H new ATOM 0 HB VAL B 68 0.257 -2.148 11.037 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.515 -0.781 12.077 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.111 -0.173 12.470 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.879 0.660 11.248 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.945 -1.915 9.947 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.329 -0.528 9.017 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.637 -2.148 8.763 1.00 0.00 H new ATOM 2422 N ASP B 69 2.844 -1.275 11.685 1.00 0.00 N ATOM 2423 CA ASP B 69 3.682 -1.091 12.866 1.00 0.00 C ATOM 2424 C ASP B 69 5.022 -0.448 12.515 1.00 0.00 C ATOM 2425 O ASP B 69 5.519 0.407 13.256 1.00 0.00 O ATOM 2426 CB ASP B 69 3.897 -2.418 13.613 1.00 0.00 C ATOM 2427 CG ASP B 69 4.893 -3.350 12.945 1.00 0.00 C ATOM 2428 OD1 ASP B 69 6.107 -3.204 13.198 1.00 0.00 O ATOM 2429 OD2 ASP B 69 4.463 -4.242 12.187 1.00 0.00 O ATOM 0 H ASP B 69 2.783 -2.236 11.350 1.00 0.00 H new ATOM 0 HA ASP B 69 3.150 -0.409 13.530 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.240 -2.202 14.625 1.00 0.00 H new ATOM 0 HB3 ASP B 69 2.940 -2.931 13.704 1.00 0.00 H new ATOM 2434 N ALA B 70 5.596 -0.829 11.382 1.00 0.00 N ATOM 2435 CA ALA B 70 6.896 -0.306 10.987 1.00 0.00 C ATOM 2436 C ALA B 70 6.811 1.168 10.607 1.00 0.00 C ATOM 2437 O ALA B 70 7.690 1.953 10.963 1.00 0.00 O ATOM 2438 CB ALA B 70 7.478 -1.118 9.848 1.00 0.00 C ATOM 0 H ALA B 70 5.186 -1.493 10.725 1.00 0.00 H new ATOM 0 HA ALA B 70 7.561 -0.390 11.847 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.449 -0.710 9.569 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.597 -2.154 10.164 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.807 -1.075 8.990 1.00 0.00 H new ATOM 2444 N PHE B 71 5.752 1.550 9.895 1.00 0.00 N ATOM 2445 CA PHE B 71 5.559 2.950 9.530 1.00 0.00 C ATOM 2446 C PHE B 71 5.183 3.781 10.747 1.00 0.00 C ATOM 2447 O PHE B 71 5.533 4.958 10.830 1.00 0.00 O ATOM 2448 CB PHE B 71 4.511 3.103 8.428 1.00 0.00 C ATOM 2449 CG PHE B 71 5.024 2.712 7.073 1.00 0.00 C ATOM 2450 CD1 PHE B 71 6.318 3.029 6.693 1.00 0.00 C ATOM 2451 CD2 PHE B 71 4.216 2.028 6.183 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.795 2.667 5.449 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.689 1.664 4.939 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.979 1.985 4.572 1.00 0.00 C ATOM 0 H PHE B 71 5.023 0.918 9.563 1.00 0.00 H new ATOM 0 HA PHE B 71 6.507 3.320 9.140 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.643 2.491 8.672 1.00 0.00 H new ATOM 0 HB3 PHE B 71 4.172 4.139 8.397 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.960 3.565 7.377 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.204 1.776 6.465 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.806 2.918 5.163 1.00 0.00 H new ATOM 0 HE2 PHE B 71 4.050 1.128 4.253 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.350 1.702 3.598 1.00 0.00 H new ATOM 2464 N LYS B 72 4.492 3.156 11.696 1.00 0.00 N ATOM 2465 CA LYS B 72 4.159 3.805 12.960 1.00 0.00 C ATOM 2466 C LYS B 72 5.431 4.235 13.679 1.00 0.00 C ATOM 2467 O LYS B 72 5.482 5.291 14.304 1.00 0.00 O ATOM 2468 CB LYS B 72 3.361 2.856 13.857 1.00 0.00 C ATOM 2469 CG LYS B 72 2.882 3.503 15.147 1.00 0.00 C ATOM 2470 CD LYS B 72 3.394 2.778 16.384 1.00 0.00 C ATOM 2471 CE LYS B 72 2.941 1.329 16.428 1.00 0.00 C ATOM 2472 NZ LYS B 72 3.246 0.696 17.737 1.00 0.00 N ATOM 0 H LYS B 72 4.151 2.198 11.613 1.00 0.00 H new ATOM 0 HA LYS B 72 3.551 4.683 12.744 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.498 2.485 13.304 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.980 1.992 14.101 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.213 4.541 15.174 1.00 0.00 H new ATOM 0 HG3 LYS B 72 1.792 3.515 15.161 1.00 0.00 H new ATOM 0 HD2 LYS B 72 4.483 2.817 16.401 1.00 0.00 H new ATOM 0 HD3 LYS B 72 3.042 3.294 17.277 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.869 1.277 16.240 1.00 0.00 H new ATOM 0 HE3 LYS B 72 3.431 0.770 15.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 3.495 -0.303 17.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 4.045 1.190 18.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 2.412 0.757 18.355 1.00 0.00 H new ATOM 2486 N GLY B 73 6.455 3.402 13.582 1.00 0.00 N ATOM 2487 CA GLY B 73 7.721 3.705 14.220 1.00 0.00 C ATOM 2488 C GLY B 73 8.732 4.324 13.270 1.00 0.00 C ATOM 2489 O GLY B 73 9.933 4.325 13.550 1.00 0.00 O ATOM 0 H GLY B 73 6.433 2.519 13.072 1.00 0.00 H new ATOM 0 HA2 GLY B 73 7.548 4.387 15.052 1.00 0.00 H new ATOM 0 HA3 GLY B 73 8.138 2.790 14.640 1.00 0.00 H new ATOM 2493 N ASN B 74 8.260 4.852 12.145 1.00 0.00 N ATOM 2494 CA ASN B 74 9.153 5.488 11.181 1.00 0.00 C ATOM 2495 C ASN B 74 8.596 6.829 10.721 1.00 0.00 C ATOM 2496 O ASN B 74 9.033 7.883 11.188 1.00 0.00 O ATOM 2497 CB ASN B 74 9.397 4.582 9.969 1.00 0.00 C ATOM 2498 CG ASN B 74 10.432 5.155 9.008 1.00 0.00 C ATOM 2499 OD1 ASN B 74 10.339 4.971 7.796 1.00 0.00 O ATOM 2500 ND2 ASN B 74 11.433 5.837 9.546 1.00 0.00 N ATOM 0 H ASN B 74 7.275 4.853 11.880 1.00 0.00 H new ATOM 0 HA ASN B 74 10.105 5.658 11.684 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.729 3.603 10.313 1.00 0.00 H new ATOM 0 HB3 ASN B 74 8.457 4.431 9.438 1.00 0.00 H new ATOM 0 HD21 ASN B 74 12.161 6.230 8.949 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.475 5.969 10.557 1.00 0.00 H new ATOM 2507 N LEU B 75 7.613 6.789 9.830 1.00 0.00 N ATOM 2508 CA LEU B 75 7.067 8.006 9.251 1.00 0.00 C ATOM 2509 C LEU B 75 6.230 8.760 10.272 1.00 0.00 C ATOM 2510 O LEU B 75 5.263 8.220 10.807 1.00 0.00 O ATOM 2511 CB LEU B 75 6.214 7.694 8.019 1.00 0.00 C ATOM 2512 CG LEU B 75 5.638 8.926 7.313 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.750 9.781 6.723 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.647 8.519 6.232 1.00 0.00 C ATOM 0 H LEU B 75 7.180 5.929 9.495 1.00 0.00 H new ATOM 0 HA LEU B 75 7.907 8.631 8.947 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.819 7.133 7.307 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.391 7.045 8.318 1.00 0.00 H new ATOM 0 HG LEU B 75 5.107 9.520 8.056 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.317 10.650 6.227 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.416 10.113 7.520 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.315 9.194 5.999 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.252 9.411 5.746 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.150 7.896 5.493 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.828 7.958 6.682 1.00 0.00 H new ATOM 2526 N GLU B 76 6.633 10.002 10.533 1.00 0.00 N ATOM 2527 CA GLU B 76 5.926 10.902 11.441 1.00 0.00 C ATOM 2528 C GLU B 76 6.093 10.464 12.895 1.00 0.00 C ATOM 2529 O GLU B 76 6.813 11.114 13.648 1.00 0.00 O ATOM 2530 CB GLU B 76 4.439 11.000 11.071 1.00 0.00 C ATOM 2531 CG GLU B 76 3.677 12.044 11.871 1.00 0.00 C ATOM 2532 CD GLU B 76 4.265 13.430 11.714 1.00 0.00 C ATOM 2533 OE1 GLU B 76 3.978 14.091 10.697 1.00 0.00 O ATOM 2534 OE2 GLU B 76 5.022 13.863 12.606 1.00 0.00 O ATOM 0 H GLU B 76 7.467 10.415 10.116 1.00 0.00 H new ATOM 0 HA GLU B 76 6.369 11.892 11.336 1.00 0.00 H new ATOM 0 HB2 GLU B 76 4.353 11.234 10.010 1.00 0.00 H new ATOM 0 HB3 GLU B 76 3.971 10.027 11.222 1.00 0.00 H new ATOM 0 HG2 GLU B 76 2.635 12.055 11.550 1.00 0.00 H new ATOM 0 HG3 GLU B 76 3.683 11.766 12.925 1.00 0.00 H new