USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.404 K(o=-0.54,f=0.3) USER MOD Set 1.2: A 48 CYS SG : rot -3:sc= -0.14 USER MOD Set 2.1: A 6 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Set 2.2: A 30 ASN : amide:sc= -0.0245 K(o=-1.3,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.132 USER MOD Single : A 16 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= -3.43! (180deg=-6.22!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -88:sc= -0.0845 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 25:sc= -4.05! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.0018) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 168:sc= 0 (180deg=-0.281) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 30:sc= -4.58! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.231 USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0443 (180deg=-0.266) USER MOD Single : A 85 THR OG1 : rot -30:sc= -0.558 USER MOD Single : A 86 SER OG : rot -148:sc= 1.21 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0307 (180deg=-0.227) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0311 (180deg=-0.292) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.845 4.700 -0.315 1.00 0.00 N ATOM 63 CA GLN A 6 -15.858 5.759 -0.495 1.00 0.00 C ATOM 64 C GLN A 6 -14.516 5.182 -0.946 1.00 0.00 C ATOM 65 O GLN A 6 -14.061 4.170 -0.412 1.00 0.00 O ATOM 66 CB GLN A 6 -15.679 6.547 0.804 1.00 0.00 C ATOM 67 CG GLN A 6 -16.953 7.223 1.284 1.00 0.00 C ATOM 68 CD GLN A 6 -16.760 8.018 2.563 1.00 0.00 C ATOM 69 OE1 GLN A 6 -17.704 8.614 3.081 1.00 0.00 O ATOM 70 NE2 GLN A 6 -15.535 8.036 3.083 1.00 0.00 N ATOM 0 HA GLN A 6 -16.222 6.433 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.320 5.873 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.909 7.304 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.321 7.887 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.720 6.466 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.778 7.529 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.353 8.557 3.941 1.00 0.00 H new ATOM 79 N PRO A 7 -13.861 5.818 -1.935 1.00 0.00 N ATOM 80 CA PRO A 7 -12.567 5.357 -2.449 1.00 0.00 C ATOM 81 C PRO A 7 -11.489 5.335 -1.367 1.00 0.00 C ATOM 82 O PRO A 7 -11.409 6.244 -0.541 1.00 0.00 O ATOM 83 CB PRO A 7 -12.215 6.379 -3.538 1.00 0.00 C ATOM 84 CG PRO A 7 -13.072 7.566 -3.254 1.00 0.00 C ATOM 85 CD PRO A 7 -14.327 7.031 -2.628 1.00 0.00 C ATOM 0 HA PRO A 7 -12.623 4.333 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.157 6.640 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.414 5.979 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.567 8.260 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.296 8.114 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.769 7.747 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.085 6.802 -3.377 1.00 0.00 H new ATOM 93 N PRO A 8 -10.643 4.287 -1.356 1.00 0.00 N ATOM 94 CA PRO A 8 -9.567 4.143 -0.367 1.00 0.00 C ATOM 95 C PRO A 8 -8.673 5.376 -0.289 1.00 0.00 C ATOM 96 O PRO A 8 -8.450 6.058 -1.290 1.00 0.00 O ATOM 97 CB PRO A 8 -8.773 2.939 -0.878 1.00 0.00 C ATOM 98 CG PRO A 8 -9.757 2.150 -1.667 1.00 0.00 C ATOM 99 CD PRO A 8 -10.671 3.157 -2.305 1.00 0.00 C ATOM 0 HA PRO A 8 -9.960 4.017 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.930 3.252 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.365 2.354 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.257 1.543 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.314 1.467 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.318 3.452 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.679 2.762 -2.432 1.00 0.00 H new ATOM 107 N LEU A 9 -8.165 5.656 0.908 1.00 0.00 N ATOM 108 CA LEU A 9 -7.294 6.805 1.126 1.00 0.00 C ATOM 109 C LEU A 9 -6.305 6.527 2.254 1.00 0.00 C ATOM 110 O LEU A 9 -6.690 6.410 3.417 1.00 0.00 O ATOM 111 CB LEU A 9 -8.131 8.042 1.463 1.00 0.00 C ATOM 112 CG LEU A 9 -7.327 9.295 1.827 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.506 9.769 0.639 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.255 10.398 2.313 1.00 0.00 C ATOM 0 H LEU A 9 -8.343 5.100 1.744 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.733 6.989 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.768 8.274 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.791 7.799 2.296 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.641 9.042 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.943 10.659 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.815 8.982 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.171 10.006 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.669 11.281 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.966 10.649 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.797 10.056 3.195 1.00 0.00 H new ATOM 126 N VAL A 10 -5.028 6.425 1.900 1.00 0.00 N ATOM 127 CA VAL A 10 -3.980 6.163 2.878 1.00 0.00 C ATOM 128 C VAL A 10 -3.607 7.431 3.637 1.00 0.00 C ATOM 129 O VAL A 10 -3.375 8.479 3.036 1.00 0.00 O ATOM 130 CB VAL A 10 -2.720 5.582 2.207 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.640 5.302 3.241 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.066 4.321 1.431 1.00 0.00 C ATOM 0 H VAL A 10 -4.694 6.520 0.941 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.376 5.430 3.581 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.331 6.320 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.760 4.892 2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.373 6.229 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.013 4.584 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.166 3.923 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.480 3.577 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.801 4.558 0.661 1.00 0.00 H new ATOM 142 N THR A 11 -3.550 7.324 4.963 1.00 0.00 N ATOM 143 CA THR A 11 -3.205 8.461 5.810 1.00 0.00 C ATOM 144 C THR A 11 -2.456 8.002 7.059 1.00 0.00 C ATOM 145 O THR A 11 -2.739 8.458 8.167 1.00 0.00 O ATOM 146 CB THR A 11 -4.464 9.240 6.249 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.337 8.381 6.990 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.208 9.809 5.049 1.00 0.00 C ATOM 0 H THR A 11 -3.738 6.461 5.473 1.00 0.00 H new ATOM 0 HA THR A 11 -2.567 9.115 5.216 1.00 0.00 H new ATOM 0 HB THR A 11 -4.142 10.069 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.132 8.883 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.089 10.352 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.553 10.488 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.515 8.995 4.392 1.00 0.00 H new ATOM 156 N GLY A 12 -1.499 7.094 6.874 1.00 0.00 N ATOM 157 CA GLY A 12 -0.732 6.589 7.999 1.00 0.00 C ATOM 158 C GLY A 12 0.283 5.537 7.593 1.00 0.00 C ATOM 159 O GLY A 12 0.043 4.754 6.673 1.00 0.00 O ATOM 0 H GLY A 12 -1.243 6.701 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.216 7.418 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.413 6.165 8.736 1.00 0.00 H new ATOM 163 N ILE A 13 1.418 5.516 8.287 1.00 0.00 N ATOM 164 CA ILE A 13 2.477 4.553 8.004 1.00 0.00 C ATOM 165 C ILE A 13 3.430 4.438 9.190 1.00 0.00 C ATOM 166 O ILE A 13 3.912 5.445 9.711 1.00 0.00 O ATOM 167 CB ILE A 13 3.273 4.947 6.740 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.341 3.892 6.428 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.908 6.322 6.911 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.033 4.109 5.098 1.00 0.00 C ATOM 0 H ILE A 13 1.628 6.158 9.052 1.00 0.00 H new ATOM 0 HA ILE A 13 2.001 3.588 7.828 1.00 0.00 H new ATOM 0 HB ILE A 13 2.581 4.994 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.088 3.896 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.878 2.905 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.464 6.581 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.128 7.064 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.587 6.306 7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.776 3.326 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.297 4.075 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.525 5.082 5.098 1.00 0.00 H new ATOM 182 N SER A 14 3.694 3.208 9.621 1.00 0.00 N ATOM 183 CA SER A 14 4.585 2.982 10.750 1.00 0.00 C ATOM 184 C SER A 14 6.029 3.337 10.383 1.00 0.00 C ATOM 185 O SER A 14 6.622 4.219 11.006 1.00 0.00 O ATOM 186 CB SER A 14 4.479 1.533 11.243 1.00 0.00 C ATOM 187 OG SER A 14 3.157 1.229 11.651 1.00 0.00 O ATOM 0 H SER A 14 3.306 2.360 9.208 1.00 0.00 H new ATOM 0 HA SER A 14 4.277 3.637 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.783 0.852 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.165 1.378 12.076 1.00 0.00 H new ATOM 0 HG SER A 14 3.115 0.300 11.959 1.00 0.00 H new ATOM 193 N PRO A 15 6.625 2.677 9.363 1.00 0.00 N ATOM 194 CA PRO A 15 7.987 2.963 8.941 1.00 0.00 C ATOM 195 C PRO A 15 8.035 3.998 7.824 1.00 0.00 C ATOM 196 O PRO A 15 7.447 3.800 6.762 1.00 0.00 O ATOM 197 CB PRO A 15 8.458 1.605 8.437 1.00 0.00 C ATOM 198 CG PRO A 15 7.233 0.973 7.854 1.00 0.00 C ATOM 199 CD PRO A 15 6.036 1.610 8.530 1.00 0.00 C ATOM 0 HA PRO A 15 8.600 3.384 9.738 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.244 1.711 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.868 1.002 9.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.195 1.130 6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.240 -0.104 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.334 2.014 7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.487 0.888 9.135 1.00 0.00 H new ATOM 207 N ASN A 16 8.738 5.101 8.060 1.00 0.00 N ATOM 208 CA ASN A 16 8.850 6.152 7.058 1.00 0.00 C ATOM 209 C ASN A 16 10.236 6.145 6.416 1.00 0.00 C ATOM 210 O ASN A 16 10.726 7.178 5.959 1.00 0.00 O ATOM 211 CB ASN A 16 8.562 7.516 7.686 1.00 0.00 C ATOM 212 CG ASN A 16 7.220 7.556 8.391 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.976 6.798 9.330 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.340 8.440 7.937 1.00 0.00 N ATOM 0 H ASN A 16 9.235 5.289 8.931 1.00 0.00 H new ATOM 0 HA ASN A 16 8.112 5.961 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.351 7.759 8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.585 8.282 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.419 8.511 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.585 9.049 7.156 1.00 0.00 H new ATOM 221 N GLU A 17 10.850 4.964 6.379 1.00 0.00 N ATOM 222 CA GLU A 17 12.175 4.793 5.788 1.00 0.00 C ATOM 223 C GLU A 17 12.620 3.337 5.890 1.00 0.00 C ATOM 224 O GLU A 17 12.563 2.735 6.963 1.00 0.00 O ATOM 225 CB GLU A 17 13.197 5.701 6.478 1.00 0.00 C ATOM 226 CG GLU A 17 13.325 5.453 7.973 1.00 0.00 C ATOM 227 CD GLU A 17 14.343 6.365 8.628 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.160 7.600 8.569 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.324 5.846 9.203 1.00 0.00 O ATOM 0 H GLU A 17 10.447 4.106 6.755 1.00 0.00 H new ATOM 0 HA GLU A 17 12.116 5.072 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.171 5.558 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.915 6.741 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.354 5.598 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.610 4.415 8.143 1.00 0.00 H new ATOM 236 N GLY A 18 13.057 2.775 4.768 1.00 0.00 N ATOM 237 CA GLY A 18 13.499 1.392 4.759 1.00 0.00 C ATOM 238 C GLY A 18 13.595 0.821 3.359 1.00 0.00 C ATOM 239 O GLY A 18 12.828 1.201 2.474 1.00 0.00 O ATOM 0 H GLY A 18 13.113 3.250 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.473 1.322 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.807 0.789 5.347 1.00 0.00 H new ATOM 243 N ILE A 19 14.537 -0.096 3.157 1.00 0.00 N ATOM 244 CA ILE A 19 14.730 -0.728 1.856 1.00 0.00 C ATOM 245 C ILE A 19 13.410 -1.288 1.324 1.00 0.00 C ATOM 246 O ILE A 19 12.476 -1.515 2.089 1.00 0.00 O ATOM 247 CB ILE A 19 15.775 -1.862 1.926 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.330 -2.938 2.920 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.137 -1.301 2.311 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.261 -4.130 2.983 1.00 0.00 C ATOM 0 H ILE A 19 15.180 -0.418 3.880 1.00 0.00 H new ATOM 0 HA ILE A 19 15.097 0.042 1.177 1.00 0.00 H new ATOM 0 HB ILE A 19 15.859 -2.322 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.254 -2.494 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.332 -3.281 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.865 -2.111 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.453 -0.571 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.069 -0.819 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.881 -4.850 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.318 -4.599 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.255 -3.800 3.286 1.00 0.00 H new ATOM 262 N PRO A 20 13.305 -1.498 -0.001 1.00 0.00 N ATOM 263 CA PRO A 20 12.081 -2.016 -0.627 1.00 0.00 C ATOM 264 C PRO A 20 11.538 -3.273 0.054 1.00 0.00 C ATOM 265 O PRO A 20 10.330 -3.420 0.228 1.00 0.00 O ATOM 266 CB PRO A 20 12.527 -2.338 -2.053 1.00 0.00 C ATOM 267 CG PRO A 20 13.652 -1.399 -2.315 1.00 0.00 C ATOM 268 CD PRO A 20 14.360 -1.227 -0.999 1.00 0.00 C ATOM 0 HA PRO A 20 11.266 -1.296 -0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.848 -3.376 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.715 -2.192 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.326 -1.799 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.284 -0.443 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.195 -1.921 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.766 -0.221 -0.890 1.00 0.00 H new ATOM 276 N TRP A 21 12.425 -4.188 0.422 1.00 0.00 N ATOM 277 CA TRP A 21 12.004 -5.430 1.061 1.00 0.00 C ATOM 278 C TRP A 21 11.481 -5.204 2.477 1.00 0.00 C ATOM 279 O TRP A 21 10.931 -6.118 3.092 1.00 0.00 O ATOM 280 CB TRP A 21 13.148 -6.441 1.080 1.00 0.00 C ATOM 281 CG TRP A 21 13.572 -6.870 -0.291 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.542 -6.304 -1.066 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.013 -7.939 -1.061 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.637 -6.971 -2.264 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.705 -7.977 -2.285 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.000 -8.873 -0.830 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.415 -8.911 -3.276 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.711 -9.800 -1.814 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.417 -9.813 -3.024 1.00 0.00 C ATOM 0 H TRP A 21 13.432 -4.096 0.291 1.00 0.00 H new ATOM 0 HA TRP A 21 11.182 -5.829 0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.002 -6.006 1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.842 -7.318 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.147 -5.456 -0.780 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.293 -6.754 -3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.452 -8.871 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.958 -8.923 -4.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.929 -10.526 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.169 -10.550 -3.773 1.00 0.00 H new ATOM 300 N THR A 22 11.646 -3.991 2.993 1.00 0.00 N ATOM 301 CA THR A 22 11.179 -3.674 4.338 1.00 0.00 C ATOM 302 C THR A 22 9.656 -3.688 4.403 1.00 0.00 C ATOM 303 O THR A 22 8.986 -3.013 3.621 1.00 0.00 O ATOM 304 CB THR A 22 11.686 -2.296 4.811 1.00 0.00 C ATOM 305 OG1 THR A 22 13.117 -2.294 4.856 1.00 0.00 O ATOM 306 CG2 THR A 22 11.132 -1.950 6.186 1.00 0.00 C ATOM 0 H THR A 22 12.096 -3.216 2.505 1.00 0.00 H new ATOM 0 HA THR A 22 11.582 -4.442 4.998 1.00 0.00 H new ATOM 0 HB THR A 22 11.339 -1.545 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.434 -1.416 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.506 -0.974 6.494 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.043 -1.925 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.450 -2.704 6.906 1.00 0.00 H new ATOM 314 N LYS A 23 9.115 -4.451 5.348 1.00 0.00 N ATOM 315 CA LYS A 23 7.672 -4.538 5.518 1.00 0.00 C ATOM 316 C LYS A 23 7.133 -3.232 6.088 1.00 0.00 C ATOM 317 O LYS A 23 7.697 -2.681 7.034 1.00 0.00 O ATOM 318 CB LYS A 23 7.307 -5.704 6.437 1.00 0.00 C ATOM 319 CG LYS A 23 5.809 -5.892 6.612 1.00 0.00 C ATOM 320 CD LYS A 23 5.481 -7.083 7.505 1.00 0.00 C ATOM 321 CE LYS A 23 5.845 -8.410 6.849 1.00 0.00 C ATOM 322 NZ LYS A 23 7.318 -8.589 6.714 1.00 0.00 N ATOM 0 H LYS A 23 9.654 -5.016 6.005 1.00 0.00 H new ATOM 0 HA LYS A 23 7.219 -4.713 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.736 -6.622 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.761 -5.542 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.378 -4.988 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.345 -6.033 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.018 -6.986 8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.417 -7.076 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.434 -9.229 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.383 -8.464 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.565 -9.583 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.613 -8.329 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.806 -7.981 7.402 1.00 0.00 H new ATOM 336 N VAL A 24 6.047 -2.736 5.507 1.00 0.00 N ATOM 337 CA VAL A 24 5.450 -1.489 5.965 1.00 0.00 C ATOM 338 C VAL A 24 3.980 -1.672 6.328 1.00 0.00 C ATOM 339 O VAL A 24 3.189 -2.181 5.532 1.00 0.00 O ATOM 340 CB VAL A 24 5.582 -0.383 4.895 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.047 -0.095 4.607 1.00 0.00 C ATOM 342 CG2 VAL A 24 4.854 -0.773 3.617 1.00 0.00 C ATOM 0 H VAL A 24 5.565 -3.175 4.723 1.00 0.00 H new ATOM 0 HA VAL A 24 5.995 -1.187 6.859 1.00 0.00 H new ATOM 0 HB VAL A 24 5.119 0.524 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.122 0.687 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.539 0.236 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.531 -1.001 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.962 0.022 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.281 -1.695 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.797 -0.926 3.833 1.00 0.00 H new ATOM 352 N THR A 25 3.618 -1.253 7.538 1.00 0.00 N ATOM 353 CA THR A 25 2.242 -1.365 8.004 1.00 0.00 C ATOM 354 C THR A 25 1.383 -0.258 7.406 1.00 0.00 C ATOM 355 O THR A 25 1.435 0.889 7.850 1.00 0.00 O ATOM 356 CB THR A 25 2.161 -1.298 9.542 1.00 0.00 C ATOM 357 OG1 THR A 25 2.947 -2.347 10.119 1.00 0.00 O ATOM 358 CG2 THR A 25 0.719 -1.425 10.017 1.00 0.00 C ATOM 0 H THR A 25 4.259 -0.834 8.212 1.00 0.00 H new ATOM 0 HA THR A 25 1.866 -2.335 7.677 1.00 0.00 H new ATOM 0 HB THR A 25 2.550 -0.331 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.892 -2.297 11.096 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.689 -1.375 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.125 -0.612 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.310 -2.380 9.686 1.00 0.00 H new ATOM 366 N ILE A 26 0.598 -0.607 6.393 1.00 0.00 N ATOM 367 CA ILE A 26 -0.266 0.362 5.732 1.00 0.00 C ATOM 368 C ILE A 26 -1.412 0.794 6.638 1.00 0.00 C ATOM 369 O ILE A 26 -2.002 -0.020 7.349 1.00 0.00 O ATOM 370 CB ILE A 26 -0.839 -0.199 4.416 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.300 -0.532 3.449 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.804 0.798 3.786 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.168 -1.128 2.139 1.00 0.00 C ATOM 0 H ILE A 26 0.543 -1.552 6.013 1.00 0.00 H new ATOM 0 HA ILE A 26 0.353 1.230 5.505 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.390 -1.114 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.867 0.376 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.983 -1.231 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.199 0.385 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.626 0.994 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.278 1.729 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.694 -1.338 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.709 -2.054 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.827 -0.422 1.633 1.00 0.00 H new ATOM 385 N ARG A 27 -1.720 2.084 6.597 1.00 0.00 N ATOM 386 CA ARG A 27 -2.796 2.649 7.400 1.00 0.00 C ATOM 387 C ARG A 27 -3.507 3.751 6.626 1.00 0.00 C ATOM 388 O ARG A 27 -2.866 4.640 6.065 1.00 0.00 O ATOM 389 CB ARG A 27 -2.245 3.209 8.714 1.00 0.00 C ATOM 390 CG ARG A 27 -1.657 2.153 9.638 1.00 0.00 C ATOM 391 CD ARG A 27 -2.724 1.193 10.139 1.00 0.00 C ATOM 392 NE ARG A 27 -2.180 0.199 11.063 1.00 0.00 N ATOM 393 CZ ARG A 27 -1.644 0.501 12.244 1.00 0.00 C ATOM 394 NH1 ARG A 27 -1.595 1.761 12.655 1.00 0.00 N ATOM 395 NH2 ARG A 27 -1.162 -0.461 13.018 1.00 0.00 N ATOM 0 H ARG A 27 -1.235 2.763 6.011 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.509 1.857 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.476 3.948 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.045 3.731 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.884 1.595 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.176 2.638 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.513 1.757 10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.182 0.686 9.290 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.213 -0.782 10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.969 2.505 12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.183 1.986 13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.202 -1.432 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.751 -0.230 13.923 1.00 0.00 H new ATOM 409 N GLY A 28 -4.832 3.686 6.592 1.00 0.00 N ATOM 410 CA GLY A 28 -5.601 4.684 5.875 1.00 0.00 C ATOM 411 C GLY A 28 -7.084 4.593 6.162 1.00 0.00 C ATOM 412 O GLY A 28 -7.492 4.491 7.319 1.00 0.00 O ATOM 0 H GLY A 28 -5.387 2.961 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.243 5.677 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.434 4.566 4.804 1.00 0.00 H new ATOM 416 N GLU A 29 -7.893 4.635 5.107 1.00 0.00 N ATOM 417 CA GLU A 29 -9.342 4.566 5.251 1.00 0.00 C ATOM 418 C GLU A 29 -9.991 3.916 4.031 1.00 0.00 C ATOM 419 O GLU A 29 -9.640 4.219 2.892 1.00 0.00 O ATOM 420 CB GLU A 29 -9.924 5.973 5.444 1.00 0.00 C ATOM 421 CG GLU A 29 -9.360 6.719 6.642 1.00 0.00 C ATOM 422 CD GLU A 29 -9.950 8.109 6.803 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.793 8.498 5.968 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.563 8.808 7.764 1.00 0.00 O ATOM 0 H GLU A 29 -7.569 4.717 4.143 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.557 3.955 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.737 6.559 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.006 5.895 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.551 6.141 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.278 6.799 6.538 1.00 0.00 H new ATOM 431 N ASN A 30 -10.953 3.035 4.289 1.00 0.00 N ATOM 432 CA ASN A 30 -11.686 2.344 3.229 1.00 0.00 C ATOM 433 C ASN A 30 -10.777 1.472 2.361 1.00 0.00 C ATOM 434 O ASN A 30 -10.966 1.388 1.147 1.00 0.00 O ATOM 435 CB ASN A 30 -12.422 3.361 2.351 1.00 0.00 C ATOM 436 CG ASN A 30 -13.379 4.227 3.146 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.309 3.724 3.779 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.157 5.536 3.118 1.00 0.00 N ATOM 0 H ASN A 30 -11.246 2.780 5.232 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.404 1.683 3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.693 3.997 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.975 2.833 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.769 6.168 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.375 5.909 2.580 1.00 0.00 H new ATOM 445 N LEU A 31 -9.809 0.803 2.983 1.00 0.00 N ATOM 446 CA LEU A 31 -8.904 -0.080 2.247 1.00 0.00 C ATOM 447 C LEU A 31 -9.521 -1.467 2.083 1.00 0.00 C ATOM 448 O LEU A 31 -8.908 -2.477 2.430 1.00 0.00 O ATOM 449 CB LEU A 31 -7.543 -0.190 2.942 1.00 0.00 C ATOM 450 CG LEU A 31 -6.595 0.994 2.717 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.160 2.267 3.324 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.221 0.692 3.295 1.00 0.00 C ATOM 0 H LEU A 31 -9.631 0.854 3.986 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.748 0.357 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.709 -0.303 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.050 -1.099 2.598 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.494 1.148 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.468 3.091 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.120 2.496 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.298 2.129 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.560 1.543 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.309 0.507 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.807 -0.191 2.807 1.00 0.00 H new ATOM 464 N GLY A 32 -10.741 -1.505 1.554 1.00 0.00 N ATOM 465 CA GLY A 32 -11.429 -2.769 1.353 1.00 0.00 C ATOM 466 C GLY A 32 -12.126 -3.257 2.609 1.00 0.00 C ATOM 467 O GLY A 32 -11.523 -3.315 3.681 1.00 0.00 O ATOM 0 H GLY A 32 -11.266 -0.681 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.162 -2.657 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.712 -3.521 1.024 1.00 0.00 H new ATOM 471 N THR A 33 -13.402 -3.608 2.472 1.00 0.00 N ATOM 472 CA THR A 33 -14.194 -4.094 3.597 1.00 0.00 C ATOM 473 C THR A 33 -13.728 -5.472 4.053 1.00 0.00 C ATOM 474 O THR A 33 -13.732 -5.775 5.246 1.00 0.00 O ATOM 475 CB THR A 33 -15.692 -4.164 3.241 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.896 -5.074 2.155 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.223 -2.788 2.864 1.00 0.00 C ATOM 0 H THR A 33 -13.911 -3.564 1.589 1.00 0.00 H new ATOM 0 HA THR A 33 -14.051 -3.382 4.410 1.00 0.00 H new ATOM 0 HB THR A 33 -16.235 -4.518 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.808 -4.594 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.282 -2.862 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.093 -2.105 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.674 -2.410 2.001 1.00 0.00 H new ATOM 485 N GLY A 34 -13.332 -6.305 3.096 1.00 0.00 N ATOM 486 CA GLY A 34 -12.875 -7.644 3.422 1.00 0.00 C ATOM 487 C GLY A 34 -11.857 -8.170 2.425 1.00 0.00 C ATOM 488 O GLY A 34 -11.578 -7.516 1.420 1.00 0.00 O ATOM 0 H GLY A 34 -13.319 -6.077 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.434 -7.641 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.730 -8.319 3.453 1.00 0.00 H new ATOM 492 N PRO A 35 -11.279 -9.360 2.678 1.00 0.00 N ATOM 493 CA PRO A 35 -10.281 -9.964 1.788 1.00 0.00 C ATOM 494 C PRO A 35 -10.787 -10.108 0.357 1.00 0.00 C ATOM 495 O PRO A 35 -10.069 -9.813 -0.597 1.00 0.00 O ATOM 496 CB PRO A 35 -10.026 -11.349 2.402 1.00 0.00 C ATOM 497 CG PRO A 35 -11.142 -11.570 3.367 1.00 0.00 C ATOM 498 CD PRO A 35 -11.548 -10.208 3.848 1.00 0.00 C ATOM 0 HA PRO A 35 -9.386 -9.346 1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.013 -12.122 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.060 -11.383 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.978 -12.080 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.821 -12.198 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.598 -10.177 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.968 -9.896 4.717 1.00 0.00 H new ATOM 506 N THR A 36 -12.027 -10.565 0.218 1.00 0.00 N ATOM 507 CA THR A 36 -12.630 -10.749 -1.096 1.00 0.00 C ATOM 508 C THR A 36 -12.657 -9.439 -1.879 1.00 0.00 C ATOM 509 O THR A 36 -12.410 -9.422 -3.086 1.00 0.00 O ATOM 510 CB THR A 36 -14.062 -11.302 -0.986 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.653 -11.395 -2.288 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.921 -10.418 -0.095 1.00 0.00 C ATOM 0 H THR A 36 -12.633 -10.815 0.999 1.00 0.00 H new ATOM 0 HA THR A 36 -12.012 -11.472 -1.628 1.00 0.00 H new ATOM 0 HB THR A 36 -14.009 -12.295 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.563 -11.749 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.928 -10.831 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.486 -10.375 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.966 -9.413 -0.515 1.00 0.00 H new ATOM 520 N ASP A 37 -12.960 -8.345 -1.187 1.00 0.00 N ATOM 521 CA ASP A 37 -13.021 -7.033 -1.819 1.00 0.00 C ATOM 522 C ASP A 37 -11.660 -6.624 -2.370 1.00 0.00 C ATOM 523 O ASP A 37 -11.556 -6.167 -3.506 1.00 0.00 O ATOM 524 CB ASP A 37 -13.517 -5.984 -0.821 1.00 0.00 C ATOM 525 CG ASP A 37 -14.918 -6.280 -0.322 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.113 -7.342 0.304 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.821 -5.450 -0.560 1.00 0.00 O ATOM 0 H ASP A 37 -13.167 -8.342 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.723 -7.095 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.833 -5.941 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.502 -5.001 -1.293 1.00 0.00 H new ATOM 532 N LEU A 38 -10.618 -6.792 -1.563 1.00 0.00 N ATOM 533 CA LEU A 38 -9.270 -6.435 -1.987 1.00 0.00 C ATOM 534 C LEU A 38 -8.885 -7.238 -3.228 1.00 0.00 C ATOM 535 O LEU A 38 -9.029 -8.461 -3.253 1.00 0.00 O ATOM 536 CB LEU A 38 -8.268 -6.701 -0.857 1.00 0.00 C ATOM 537 CG LEU A 38 -7.055 -5.764 -0.810 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.129 -6.148 0.332 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.299 -5.775 -2.130 1.00 0.00 C ATOM 0 H LEU A 38 -10.680 -7.171 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.248 -5.373 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.795 -6.632 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.909 -7.726 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.421 -4.752 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.274 -5.472 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.668 -6.077 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.780 -7.171 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.445 -5.101 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.949 -6.786 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.961 -5.446 -2.931 1.00 0.00 H new ATOM 551 N ILE A 39 -8.399 -6.548 -4.256 1.00 0.00 N ATOM 552 CA ILE A 39 -8.001 -7.209 -5.495 1.00 0.00 C ATOM 553 C ILE A 39 -6.746 -6.575 -6.087 1.00 0.00 C ATOM 554 O ILE A 39 -5.837 -7.276 -6.527 1.00 0.00 O ATOM 555 CB ILE A 39 -9.127 -7.170 -6.551 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.514 -5.723 -6.873 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.339 -7.958 -6.068 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.540 -5.597 -7.979 1.00 0.00 C ATOM 0 H ILE A 39 -8.272 -5.536 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.793 -8.247 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.759 -7.635 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.906 -5.252 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.618 -5.172 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.123 -7.920 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.053 -8.995 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.709 -7.523 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.763 -4.544 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.144 -6.037 -8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.452 -6.119 -7.690 1.00 0.00 H new ATOM 570 N GLY A 40 -6.704 -5.248 -6.100 1.00 0.00 N ATOM 571 CA GLY A 40 -5.554 -4.554 -6.645 1.00 0.00 C ATOM 572 C GLY A 40 -4.635 -4.015 -5.569 1.00 0.00 C ATOM 573 O GLY A 40 -5.090 -3.403 -4.603 1.00 0.00 O ATOM 0 H GLY A 40 -7.443 -4.642 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.995 -5.234 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.895 -3.730 -7.272 1.00 0.00 H new ATOM 577 N LEU A 41 -3.335 -4.238 -5.739 1.00 0.00 N ATOM 578 CA LEU A 41 -2.348 -3.766 -4.778 1.00 0.00 C ATOM 579 C LEU A 41 -1.034 -3.461 -5.488 1.00 0.00 C ATOM 580 O LEU A 41 -0.501 -4.303 -6.209 1.00 0.00 O ATOM 581 CB LEU A 41 -2.133 -4.819 -3.681 1.00 0.00 C ATOM 582 CG LEU A 41 -1.379 -4.343 -2.429 1.00 0.00 C ATOM 583 CD1 LEU A 41 0.074 -4.023 -2.745 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.070 -3.132 -1.821 1.00 0.00 C ATOM 0 H LEU A 41 -2.942 -4.743 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.714 -2.851 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.107 -5.197 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.587 -5.658 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.391 -5.156 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.579 -3.689 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.568 -4.916 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.118 -3.234 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.523 -2.808 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.093 -2.322 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.090 -3.397 -1.541 1.00 0.00 H new ATOM 596 N THR A 42 -0.521 -2.253 -5.275 1.00 0.00 N ATOM 597 CA THR A 42 0.729 -1.827 -5.894 1.00 0.00 C ATOM 598 C THR A 42 1.401 -0.721 -5.092 1.00 0.00 C ATOM 599 O THR A 42 0.741 0.185 -4.583 1.00 0.00 O ATOM 600 CB THR A 42 0.514 -1.318 -7.334 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.624 -0.449 -7.382 1.00 0.00 O ATOM 602 CG2 THR A 42 0.331 -2.469 -8.311 1.00 0.00 C ATOM 0 H THR A 42 -0.954 -1.550 -4.676 1.00 0.00 H new ATOM 0 HA THR A 42 1.369 -2.709 -5.914 1.00 0.00 H new ATOM 0 HB THR A 42 1.406 -0.766 -7.630 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.753 -0.129 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.182 -2.073 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.218 -3.102 -8.298 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.539 -3.058 -8.020 1.00 0.00 H new ATOM 610 N ILE A 43 2.723 -0.797 -5.004 1.00 0.00 N ATOM 611 CA ILE A 43 3.507 0.198 -4.292 1.00 0.00 C ATOM 612 C ILE A 43 4.588 0.747 -5.209 1.00 0.00 C ATOM 613 O ILE A 43 5.386 -0.012 -5.760 1.00 0.00 O ATOM 614 CB ILE A 43 4.165 -0.393 -3.028 1.00 0.00 C ATOM 615 CG1 ILE A 43 3.094 -0.927 -2.073 1.00 0.00 C ATOM 616 CG2 ILE A 43 5.027 0.656 -2.337 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.661 -1.591 -0.837 1.00 0.00 C ATOM 0 H ILE A 43 3.276 -1.545 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 43 2.832 0.996 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 43 4.808 -1.222 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.447 -0.104 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.469 -1.643 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.484 0.223 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.808 0.992 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.407 1.505 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.845 -1.945 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.284 -2.435 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.263 -0.872 -0.281 1.00 0.00 H new ATOM 629 N CYS A 44 4.599 2.061 -5.385 1.00 0.00 N ATOM 630 CA CYS A 44 5.575 2.700 -6.256 1.00 0.00 C ATOM 631 C CYS A 44 5.478 2.120 -7.666 1.00 0.00 C ATOM 632 O CYS A 44 6.486 1.958 -8.353 1.00 0.00 O ATOM 633 CB CYS A 44 6.988 2.504 -5.704 1.00 0.00 C ATOM 634 SG CYS A 44 7.202 3.066 -3.999 1.00 0.00 S ATOM 0 H CYS A 44 3.945 2.704 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 44 5.361 3.768 -6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.245 1.446 -5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.692 3.038 -6.342 1.00 0.00 H new ATOM 0 HG CYS A 44 6.055 3.044 -3.388 1.00 0.00 H new ATOM 640 N GLY A 45 4.252 1.810 -8.087 1.00 0.00 N ATOM 641 CA GLY A 45 4.036 1.249 -9.410 1.00 0.00 C ATOM 642 C GLY A 45 4.263 -0.253 -9.464 1.00 0.00 C ATOM 643 O GLY A 45 3.621 -0.951 -10.249 1.00 0.00 O ATOM 0 H GLY A 45 3.405 1.938 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.017 1.468 -9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.704 1.737 -10.119 1.00 0.00 H new ATOM 647 N HIS A 46 5.180 -0.750 -8.639 1.00 0.00 N ATOM 648 CA HIS A 46 5.491 -2.178 -8.608 1.00 0.00 C ATOM 649 C HIS A 46 4.381 -2.975 -7.930 1.00 0.00 C ATOM 650 O HIS A 46 3.909 -2.610 -6.854 1.00 0.00 O ATOM 651 CB HIS A 46 6.817 -2.420 -7.883 1.00 0.00 C ATOM 652 CG HIS A 46 7.209 -3.864 -7.823 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.435 -4.631 -8.947 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.409 -4.685 -6.764 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.757 -5.860 -8.581 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.750 -5.917 -7.263 1.00 0.00 N ATOM 0 H HIS A 46 5.721 -0.187 -7.983 1.00 0.00 H new ATOM 0 HA HIS A 46 5.576 -2.519 -9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.605 -1.858 -8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.744 -2.029 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.317 -4.419 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.987 -6.678 -9.248 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.964 -6.744 -6.705 1.00 0.00 H new ATOM 665 N ASN A 47 3.978 -4.074 -8.561 1.00 0.00 N ATOM 666 CA ASN A 47 2.933 -4.935 -8.018 1.00 0.00 C ATOM 667 C ASN A 47 3.422 -5.660 -6.766 1.00 0.00 C ATOM 668 O ASN A 47 4.554 -6.143 -6.722 1.00 0.00 O ATOM 669 CB ASN A 47 2.488 -5.956 -9.065 1.00 0.00 C ATOM 670 CG ASN A 47 1.428 -6.903 -8.537 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.342 -6.480 -8.140 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.741 -8.194 -8.527 1.00 0.00 N ATOM 0 H ASN A 47 4.361 -4.390 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 47 2.085 -4.306 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.100 -5.431 -9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.352 -6.531 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.069 -8.879 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.653 -8.500 -8.866 1.00 0.00 H new ATOM 679 N CYS A 48 2.560 -5.742 -5.757 1.00 0.00 N ATOM 680 CA CYS A 48 2.903 -6.416 -4.508 1.00 0.00 C ATOM 681 C CYS A 48 1.655 -6.995 -3.847 1.00 0.00 C ATOM 682 O CYS A 48 1.506 -6.948 -2.626 1.00 0.00 O ATOM 683 CB CYS A 48 3.595 -5.445 -3.545 1.00 0.00 C ATOM 684 SG CYS A 48 5.150 -4.762 -4.166 1.00 0.00 S ATOM 0 H CYS A 48 1.619 -5.350 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 48 3.588 -7.231 -4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.914 -4.623 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.788 -5.961 -2.604 1.00 0.00 H new ATOM 0 HG CYS A 48 5.426 -5.291 -5.321 1.00 0.00 H new ATOM 690 N LEU A 49 0.761 -7.540 -4.667 1.00 0.00 N ATOM 691 CA LEU A 49 -0.476 -8.132 -4.171 1.00 0.00 C ATOM 692 C LEU A 49 -0.214 -9.488 -3.519 1.00 0.00 C ATOM 693 O LEU A 49 -0.766 -9.794 -2.461 1.00 0.00 O ATOM 694 CB LEU A 49 -1.483 -8.287 -5.315 1.00 0.00 C ATOM 695 CG LEU A 49 -2.812 -8.944 -4.931 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.610 -8.043 -3.999 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.618 -9.277 -6.177 1.00 0.00 C ATOM 0 H LEU A 49 0.871 -7.584 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.891 -7.465 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.691 -7.301 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.021 -8.876 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.596 -9.872 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.550 -8.530 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.035 -7.857 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.817 -7.096 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.560 -9.743 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.822 -8.362 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.051 -9.964 -6.804 1.00 0.00 H new ATOM 709 N LEU A 50 0.624 -10.299 -4.163 1.00 0.00 N ATOM 710 CA LEU A 50 0.953 -11.629 -3.654 1.00 0.00 C ATOM 711 C LEU A 50 1.417 -11.567 -2.200 1.00 0.00 C ATOM 712 O LEU A 50 1.044 -12.409 -1.384 1.00 0.00 O ATOM 713 CB LEU A 50 2.033 -12.296 -4.519 1.00 0.00 C ATOM 714 CG LEU A 50 3.428 -11.659 -4.458 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.457 -12.575 -5.102 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.439 -10.300 -5.144 1.00 0.00 C ATOM 0 H LEU A 50 1.088 -10.058 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 50 0.044 -12.229 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.118 -13.340 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.696 -12.289 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 50 3.686 -11.516 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.441 -12.109 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.478 -13.527 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.190 -12.746 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.439 -9.871 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.155 -10.418 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.731 -9.636 -4.648 1.00 0.00 H new ATOM 728 N THR A 51 2.233 -10.568 -1.884 1.00 0.00 N ATOM 729 CA THR A 51 2.747 -10.399 -0.531 1.00 0.00 C ATOM 730 C THR A 51 1.716 -9.729 0.370 1.00 0.00 C ATOM 731 O THR A 51 1.633 -10.027 1.563 1.00 0.00 O ATOM 732 CB THR A 51 4.042 -9.565 -0.520 1.00 0.00 C ATOM 733 OG1 THR A 51 3.798 -8.271 -1.082 1.00 0.00 O ATOM 734 CG2 THR A 51 5.142 -10.265 -1.305 1.00 0.00 C ATOM 0 H THR A 51 2.553 -9.862 -2.547 1.00 0.00 H new ATOM 0 HA THR A 51 2.964 -11.397 -0.150 1.00 0.00 H new ATOM 0 HB THR A 51 4.368 -9.455 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.626 -7.747 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.047 -9.658 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.347 -11.237 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.821 -10.402 -2.338 1.00 0.00 H new ATOM 742 N ALA A 52 0.937 -8.818 -0.205 1.00 0.00 N ATOM 743 CA ALA A 52 -0.086 -8.099 0.546 1.00 0.00 C ATOM 744 C ALA A 52 -1.089 -9.055 1.184 1.00 0.00 C ATOM 745 O ALA A 52 -1.621 -9.946 0.522 1.00 0.00 O ATOM 746 CB ALA A 52 -0.802 -7.107 -0.358 1.00 0.00 C ATOM 0 H ALA A 52 0.995 -8.560 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 52 0.410 -7.555 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.563 -6.577 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.082 -6.391 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.275 -7.641 -1.182 1.00 0.00 H new ATOM 752 N GLU A 53 -1.348 -8.854 2.475 1.00 0.00 N ATOM 753 CA GLU A 53 -2.293 -9.689 3.211 1.00 0.00 C ATOM 754 C GLU A 53 -3.344 -8.826 3.905 1.00 0.00 C ATOM 755 O GLU A 53 -3.014 -7.836 4.560 1.00 0.00 O ATOM 756 CB GLU A 53 -1.555 -10.548 4.242 1.00 0.00 C ATOM 757 CG GLU A 53 -2.464 -11.474 5.037 1.00 0.00 C ATOM 758 CD GLU A 53 -3.208 -12.460 4.157 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.542 -13.251 3.457 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.456 -12.441 4.169 1.00 0.00 O ATOM 0 H GLU A 53 -0.915 -8.118 3.033 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.795 -10.346 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.802 -11.146 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.025 -9.893 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.869 -12.022 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.184 -10.877 5.597 1.00 0.00 H new ATOM 767 N TRP A 54 -4.608 -9.204 3.752 1.00 0.00 N ATOM 768 CA TRP A 54 -5.710 -8.464 4.358 1.00 0.00 C ATOM 769 C TRP A 54 -5.691 -8.593 5.880 1.00 0.00 C ATOM 770 O TRP A 54 -5.342 -9.642 6.420 1.00 0.00 O ATOM 771 CB TRP A 54 -7.048 -8.973 3.819 1.00 0.00 C ATOM 772 CG TRP A 54 -8.211 -8.115 4.217 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.681 -7.015 3.559 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.037 -8.272 5.377 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.759 -6.491 4.228 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.995 -7.242 5.349 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.062 -9.188 6.434 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.968 -7.103 6.336 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.026 -9.048 7.413 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.969 -8.012 7.359 1.00 0.00 C ATOM 0 H TRP A 54 -4.896 -10.020 3.212 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.588 -7.413 4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.998 -9.024 2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.214 -9.988 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.265 -6.616 2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.297 -5.675 3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.341 -9.990 6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.696 -6.306 6.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.054 -9.749 8.234 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.711 -7.930 8.140 1.00 0.00 H new ATOM 791 N MET A 55 -6.081 -7.520 6.564 1.00 0.00 N ATOM 792 CA MET A 55 -6.123 -7.510 8.024 1.00 0.00 C ATOM 793 C MET A 55 -7.445 -6.937 8.520 1.00 0.00 C ATOM 794 O MET A 55 -8.096 -7.515 9.391 1.00 0.00 O ATOM 795 CB MET A 55 -4.966 -6.688 8.593 1.00 0.00 C ATOM 796 CG MET A 55 -3.601 -7.322 8.388 1.00 0.00 C ATOM 797 SD MET A 55 -3.439 -8.903 9.239 1.00 0.00 S ATOM 798 CE MET A 55 -1.703 -9.254 8.971 1.00 0.00 C ATOM 0 H MET A 55 -6.373 -6.645 6.129 1.00 0.00 H new ATOM 0 HA MET A 55 -6.030 -8.540 8.367 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.971 -5.702 8.129 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.130 -6.539 9.660 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.428 -7.468 7.322 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.830 -6.640 8.746 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.397 -10.083 9.609 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.543 -9.522 7.927 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.112 -8.371 9.214 1.00 0.00 H new ATOM 808 N SER A 56 -7.837 -5.798 7.956 1.00 0.00 N ATOM 809 CA SER A 56 -9.083 -5.143 8.333 1.00 0.00 C ATOM 810 C SER A 56 -9.423 -4.029 7.350 1.00 0.00 C ATOM 811 O SER A 56 -8.955 -4.031 6.212 1.00 0.00 O ATOM 812 CB SER A 56 -8.977 -4.577 9.752 1.00 0.00 C ATOM 813 OG SER A 56 -7.933 -3.622 9.843 1.00 0.00 O ATOM 0 H SER A 56 -7.307 -5.309 7.234 1.00 0.00 H new ATOM 0 HA SER A 56 -9.882 -5.884 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.923 -4.115 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.795 -5.388 10.458 1.00 0.00 H new ATOM 0 HG SER A 56 -7.887 -3.274 10.758 1.00 0.00 H new ATOM 819 N ALA A 57 -10.239 -3.076 7.793 1.00 0.00 N ATOM 820 CA ALA A 57 -10.633 -1.960 6.944 1.00 0.00 C ATOM 821 C ALA A 57 -9.713 -0.761 7.141 1.00 0.00 C ATOM 822 O ALA A 57 -10.144 0.387 7.024 1.00 0.00 O ATOM 823 CB ALA A 57 -12.077 -1.572 7.223 1.00 0.00 C ATOM 0 H ALA A 57 -10.638 -3.056 8.732 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.546 -2.280 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.360 -0.737 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.728 -2.422 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.180 -1.279 8.268 1.00 0.00 H new ATOM 829 N SER A 58 -8.443 -1.034 7.437 1.00 0.00 N ATOM 830 CA SER A 58 -7.458 0.023 7.648 1.00 0.00 C ATOM 831 C SER A 58 -6.084 -0.557 7.972 1.00 0.00 C ATOM 832 O SER A 58 -5.345 -0.008 8.789 1.00 0.00 O ATOM 833 CB SER A 58 -7.906 0.949 8.782 1.00 0.00 C ATOM 834 OG SER A 58 -8.070 0.232 9.994 1.00 0.00 O ATOM 0 H SER A 58 -8.073 -1.979 7.536 1.00 0.00 H new ATOM 0 HA SER A 58 -7.381 0.594 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.170 1.740 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.845 1.431 8.512 1.00 0.00 H new ATOM 0 HG SER A 58 -8.355 0.847 10.702 1.00 0.00 H new ATOM 840 N LYS A 59 -5.742 -1.668 7.324 1.00 0.00 N ATOM 841 CA LYS A 59 -4.452 -2.310 7.549 1.00 0.00 C ATOM 842 C LYS A 59 -4.143 -3.322 6.450 1.00 0.00 C ATOM 843 O LYS A 59 -4.963 -4.185 6.140 1.00 0.00 O ATOM 844 CB LYS A 59 -4.432 -3.007 8.911 1.00 0.00 C ATOM 845 CG LYS A 59 -3.090 -3.638 9.252 1.00 0.00 C ATOM 846 CD LYS A 59 -3.124 -4.330 10.606 1.00 0.00 C ATOM 847 CE LYS A 59 -1.757 -4.871 10.989 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.773 -5.527 12.326 1.00 0.00 N ATOM 0 H LYS A 59 -6.337 -2.139 6.643 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.687 -1.534 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.691 -2.283 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.201 -3.779 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.820 -4.360 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.316 -2.870 9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.465 -3.627 11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.846 -5.147 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.427 -5.588 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.033 -4.057 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.822 -5.882 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.063 -4.837 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.445 -6.320 12.315 1.00 0.00 H new ATOM 862 N ILE A 60 -2.947 -3.215 5.875 1.00 0.00 N ATOM 863 CA ILE A 60 -2.517 -4.124 4.818 1.00 0.00 C ATOM 864 C ILE A 60 -0.998 -4.281 4.826 1.00 0.00 C ATOM 865 O ILE A 60 -0.267 -3.344 4.509 1.00 0.00 O ATOM 866 CB ILE A 60 -2.948 -3.624 3.419 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.473 -3.511 3.327 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.415 -4.556 2.339 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.968 -2.990 1.994 1.00 0.00 C ATOM 0 H ILE A 60 -2.258 -2.506 6.125 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.996 -5.083 5.017 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.525 -2.631 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.912 -4.492 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.828 -2.851 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.725 -4.193 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.326 -4.584 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.811 -5.559 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.057 -2.938 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.559 -1.995 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.645 -3.661 1.198 1.00 0.00 H new ATOM 881 N VAL A 61 -0.532 -5.474 5.184 1.00 0.00 N ATOM 882 CA VAL A 61 0.894 -5.754 5.222 1.00 0.00 C ATOM 883 C VAL A 61 1.415 -6.155 3.854 1.00 0.00 C ATOM 884 O VAL A 61 0.855 -7.032 3.199 1.00 0.00 O ATOM 885 CB VAL A 61 1.224 -6.870 6.224 1.00 0.00 C ATOM 886 CG1 VAL A 61 1.392 -6.297 7.618 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.148 -7.945 6.210 1.00 0.00 C ATOM 0 H VAL A 61 -1.124 -6.261 5.451 1.00 0.00 H new ATOM 0 HA VAL A 61 1.382 -4.832 5.539 1.00 0.00 H new ATOM 0 HB VAL A 61 2.165 -7.331 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.625 -7.101 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.204 -5.570 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.467 -5.808 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.403 -8.725 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.811 -7.503 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.080 -8.378 5.212 1.00 0.00 H new ATOM 897 N CYS A 62 2.499 -5.516 3.434 1.00 0.00 N ATOM 898 CA CYS A 62 3.103 -5.815 2.145 1.00 0.00 C ATOM 899 C CYS A 62 4.447 -5.114 1.995 1.00 0.00 C ATOM 900 O CYS A 62 4.672 -4.050 2.571 1.00 0.00 O ATOM 901 CB CYS A 62 2.167 -5.406 1.004 1.00 0.00 C ATOM 902 SG CYS A 62 1.729 -3.654 1.001 1.00 0.00 S ATOM 0 H CYS A 62 2.976 -4.789 3.967 1.00 0.00 H new ATOM 0 HA CYS A 62 3.269 -6.891 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.641 -5.653 0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.254 -5.998 1.068 1.00 0.00 H new ATOM 0 HG CYS A 62 2.703 -2.962 1.513 1.00 0.00 H new ATOM 908 N ARG A 63 5.339 -5.719 1.217 1.00 0.00 N ATOM 909 CA ARG A 63 6.663 -5.154 0.992 1.00 0.00 C ATOM 910 C ARG A 63 6.624 -4.117 -0.125 1.00 0.00 C ATOM 911 O ARG A 63 6.091 -4.371 -1.206 1.00 0.00 O ATOM 912 CB ARG A 63 7.659 -6.263 0.651 1.00 0.00 C ATOM 913 CG ARG A 63 7.804 -7.301 1.751 1.00 0.00 C ATOM 914 CD ARG A 63 8.760 -8.413 1.352 1.00 0.00 C ATOM 915 NE ARG A 63 8.908 -9.407 2.411 1.00 0.00 N ATOM 916 CZ ARG A 63 9.664 -10.494 2.304 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.332 -10.737 1.185 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.749 -11.345 3.318 1.00 0.00 N ATOM 0 H ARG A 63 5.168 -6.600 0.732 1.00 0.00 H new ATOM 0 HA ARG A 63 6.986 -4.659 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.340 -6.758 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.633 -5.817 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.165 -6.820 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.827 -7.726 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.396 -8.898 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.735 -7.987 1.115 1.00 0.00 H new ATOM 0 HE ARG A 63 8.401 -9.258 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.267 -10.088 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.911 -11.573 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.234 -11.165 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.329 -12.180 3.236 1.00 0.00 H new ATOM 932 N VAL A 64 7.184 -2.945 0.153 1.00 0.00 N ATOM 933 CA VAL A 64 7.213 -1.852 -0.813 1.00 0.00 C ATOM 934 C VAL A 64 8.069 -2.185 -2.031 1.00 0.00 C ATOM 935 O VAL A 64 9.181 -2.696 -1.906 1.00 0.00 O ATOM 936 CB VAL A 64 7.735 -0.557 -0.164 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.708 0.001 0.808 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.057 -0.811 0.545 1.00 0.00 C ATOM 0 H VAL A 64 7.627 -2.726 1.045 1.00 0.00 H new ATOM 0 HA VAL A 64 6.186 -1.705 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 64 7.902 0.180 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.093 0.916 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.783 0.220 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.511 -0.733 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.411 0.115 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.915 -1.563 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.794 -1.167 -0.175 1.00 0.00 H new ATOM 1052 N GLY A 72 6.823 7.516 -4.570 1.00 0.00 N ATOM 1053 CA GLY A 72 6.423 6.286 -3.913 1.00 0.00 C ATOM 1054 C GLY A 72 4.974 6.316 -3.467 1.00 0.00 C ATOM 1055 O GLY A 72 4.652 5.900 -2.353 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.574 5.448 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.063 6.114 -3.048 1.00 0.00 H new ATOM 1059 N ASP A 73 4.102 6.812 -4.336 1.00 0.00 N ATOM 1060 CA ASP A 73 2.679 6.902 -4.026 1.00 0.00 C ATOM 1061 C ASP A 73 2.070 5.517 -3.838 1.00 0.00 C ATOM 1062 O ASP A 73 2.265 4.624 -4.663 1.00 0.00 O ATOM 1063 CB ASP A 73 1.941 7.647 -5.140 1.00 0.00 C ATOM 1064 CG ASP A 73 2.453 9.063 -5.332 1.00 0.00 C ATOM 1065 OD1 ASP A 73 3.370 9.472 -4.588 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.935 9.765 -6.227 1.00 0.00 O ATOM 0 H ASP A 73 4.354 7.158 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 73 2.572 7.454 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.048 7.096 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.876 7.678 -4.909 1.00 0.00 H new ATOM 1071 N ILE A 74 1.322 5.350 -2.751 1.00 0.00 N ATOM 1072 CA ILE A 74 0.673 4.078 -2.453 1.00 0.00 C ATOM 1073 C ILE A 74 -0.671 3.983 -3.168 1.00 0.00 C ATOM 1074 O ILE A 74 -1.444 4.938 -3.179 1.00 0.00 O ATOM 1075 CB ILE A 74 0.463 3.894 -0.936 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.812 3.919 -0.208 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.278 2.592 -0.656 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.698 3.819 1.299 1.00 0.00 C ATOM 0 H ILE A 74 1.150 6.081 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 74 1.330 3.285 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.145 4.718 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.425 3.095 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.334 4.841 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.418 2.477 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.250 2.613 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.304 1.753 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.694 3.843 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.113 4.658 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.205 2.884 1.565 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.942 2.831 -3.773 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.193 2.630 -4.497 1.00 0.00 C ATOM 1092 C ILE A 75 -2.830 1.284 -4.161 1.00 0.00 C ATOM 1093 O ILE A 75 -2.161 0.251 -4.153 1.00 0.00 O ATOM 1094 CB ILE A 75 -1.977 2.716 -6.022 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.437 4.095 -6.412 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.276 2.423 -6.762 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.377 5.236 -6.080 1.00 0.00 C ATOM 0 H ILE A 75 -0.316 2.026 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.865 3.428 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.240 1.965 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.487 4.260 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.232 4.105 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.105 2.488 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.620 1.420 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.033 3.151 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.926 6.180 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.320 5.096 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.563 5.254 -5.006 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.133 1.311 -3.900 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.884 0.102 -3.578 1.00 0.00 C ATOM 1111 C VAL A 76 -6.266 0.153 -4.221 1.00 0.00 C ATOM 1112 O VAL A 76 -7.063 1.046 -3.931 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.041 -0.079 -2.054 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.790 -1.364 -1.739 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.684 -0.065 -1.366 1.00 0.00 C ATOM 0 H VAL A 76 -4.694 2.163 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.323 -0.745 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.625 0.758 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.889 -1.472 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.780 -1.328 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.238 -2.214 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.819 -0.194 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.071 -0.878 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.189 0.887 -1.557 1.00 0.00 H new ATOM 1125 N THR A 77 -6.543 -0.804 -5.103 1.00 0.00 N ATOM 1126 CA THR A 77 -7.826 -0.857 -5.794 1.00 0.00 C ATOM 1127 C THR A 77 -8.778 -1.852 -5.134 1.00 0.00 C ATOM 1128 O THR A 77 -8.406 -2.994 -4.858 1.00 0.00 O ATOM 1129 CB THR A 77 -7.645 -1.239 -7.275 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.773 -0.303 -7.919 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.985 -1.270 -7.998 1.00 0.00 C ATOM 0 H THR A 77 -5.897 -1.552 -5.355 1.00 0.00 H new ATOM 0 HA THR A 77 -8.259 0.141 -5.730 1.00 0.00 H new ATOM 0 HB THR A 77 -7.206 -2.236 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.662 -0.554 -8.860 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.829 -1.542 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.637 -2.004 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.450 -0.285 -7.945 1.00 0.00 H new ATOM 1139 N THR A 78 -10.011 -1.413 -4.897 1.00 0.00 N ATOM 1140 CA THR A 78 -11.027 -2.262 -4.284 1.00 0.00 C ATOM 1141 C THR A 78 -11.961 -2.841 -5.342 1.00 0.00 C ATOM 1142 O THR A 78 -12.244 -2.197 -6.353 1.00 0.00 O ATOM 1143 CB THR A 78 -11.857 -1.491 -3.241 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.449 -0.332 -3.841 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.988 -1.074 -2.063 1.00 0.00 C ATOM 0 H THR A 78 -10.331 -0.471 -5.121 1.00 0.00 H new ATOM 0 HA THR A 78 -10.502 -3.074 -3.780 1.00 0.00 H new ATOM 0 HB THR A 78 -12.645 -2.150 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.976 0.150 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.594 -0.531 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.565 -1.961 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.181 -0.431 -2.416 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.432 -4.064 -5.109 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.328 -4.729 -6.049 1.00 0.00 C ATOM 1155 C LYS A 79 -14.591 -3.903 -6.269 1.00 0.00 C ATOM 1156 O LYS A 79 -14.992 -3.658 -7.407 1.00 0.00 O ATOM 1157 CB LYS A 79 -13.694 -6.124 -5.535 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.480 -6.960 -6.531 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.659 -7.269 -7.772 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.437 -8.126 -8.755 1.00 0.00 C ATOM 1161 NZ LYS A 79 -13.634 -8.450 -9.965 1.00 0.00 N ATOM 0 H LYS A 79 -12.208 -4.613 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.811 -4.828 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.779 -6.655 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.278 -6.022 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.792 -7.892 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.387 -6.428 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.363 -6.338 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.743 -7.784 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.746 -9.050 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.346 -7.603 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.201 -9.036 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.361 -7.570 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.779 -8.971 -9.685 1.00 0.00 H new ATOM 1175 N SER A 80 -15.213 -3.473 -5.175 1.00 0.00 N ATOM 1176 CA SER A 80 -16.428 -2.669 -5.255 1.00 0.00 C ATOM 1177 C SER A 80 -16.118 -1.272 -5.782 1.00 0.00 C ATOM 1178 O SER A 80 -16.709 -0.822 -6.764 1.00 0.00 O ATOM 1179 CB SER A 80 -17.090 -2.571 -3.879 1.00 0.00 C ATOM 1180 OG SER A 80 -16.227 -1.956 -2.939 1.00 0.00 O ATOM 0 H SER A 80 -14.897 -3.667 -4.225 1.00 0.00 H new ATOM 0 HA SER A 80 -17.114 -3.157 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.014 -1.999 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.361 -3.568 -3.531 1.00 0.00 H new ATOM 0 HG SER A 80 -16.675 -1.904 -2.069 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.182 -0.596 -5.125 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.797 0.741 -5.538 1.00 0.00 C ATOM 1188 C GLY A 81 -13.886 0.732 -6.749 1.00 0.00 C ATOM 1189 O GLY A 81 -14.206 0.125 -7.773 1.00 0.00 O ATOM 0 H GLY A 81 -14.681 -0.952 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.692 1.320 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.293 1.243 -4.712 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.746 1.404 -6.630 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.794 1.462 -7.722 1.00 0.00 C ATOM 1195 C GLY A 82 -10.443 1.986 -7.276 1.00 0.00 C ATOM 1196 O GLY A 82 -9.945 1.608 -6.216 1.00 0.00 O ATOM 0 H GLY A 82 -12.464 1.912 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.673 0.467 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.188 2.102 -8.511 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.848 2.860 -8.083 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.548 3.435 -7.755 1.00 0.00 C ATOM 1202 C LYS A 83 -8.646 4.303 -6.504 1.00 0.00 C ATOM 1203 O LYS A 83 -9.478 5.207 -6.430 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.020 4.258 -8.932 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.646 4.860 -8.692 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.152 5.619 -9.913 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.795 6.258 -9.664 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.842 7.251 -8.555 1.00 0.00 N ATOM 0 H LYS A 83 -10.244 3.184 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.851 2.621 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.979 3.624 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.725 5.061 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.686 5.533 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.939 4.069 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.084 4.939 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.875 6.390 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.067 5.482 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.452 6.748 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.985 7.840 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.681 7.855 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.892 6.752 -7.644 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.797 4.018 -5.520 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.815 4.779 -4.284 1.00 0.00 C ATOM 1224 C GLY A 84 -7.088 6.106 -4.390 1.00 0.00 C ATOM 1225 O GLY A 84 -7.032 6.707 -5.463 1.00 0.00 O ATOM 0 H GLY A 84 -7.099 3.275 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.849 4.961 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.360 4.185 -3.492 1.00 0.00 H new ATOM 1229 N THR A 85 -6.531 6.553 -3.267 1.00 0.00 N ATOM 1230 CA THR A 85 -5.795 7.814 -3.198 1.00 0.00 C ATOM 1231 C THR A 85 -4.843 7.816 -2.006 1.00 0.00 C ATOM 1232 O THR A 85 -5.097 7.152 -1.003 1.00 0.00 O ATOM 1233 CB THR A 85 -6.742 9.027 -3.071 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.703 8.791 -2.036 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.457 9.317 -4.381 1.00 0.00 C ATOM 0 H THR A 85 -6.577 6.052 -2.380 1.00 0.00 H new ATOM 0 HA THR A 85 -5.234 7.900 -4.128 1.00 0.00 H new ATOM 0 HB THR A 85 -6.137 9.897 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.878 7.829 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.115 10.177 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.722 9.534 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.047 8.449 -4.673 1.00 0.00 H new ATOM 1243 N SER A 86 -3.746 8.560 -2.119 1.00 0.00 N ATOM 1244 CA SER A 86 -2.767 8.632 -1.038 1.00 0.00 C ATOM 1245 C SER A 86 -1.908 9.887 -1.147 1.00 0.00 C ATOM 1246 O SER A 86 -1.219 10.097 -2.145 1.00 0.00 O ATOM 1247 CB SER A 86 -1.867 7.396 -1.060 1.00 0.00 C ATOM 1248 OG SER A 86 -1.139 7.323 -2.272 1.00 0.00 O ATOM 0 H SER A 86 -3.514 9.117 -2.941 1.00 0.00 H new ATOM 0 HA SER A 86 -3.315 8.671 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.176 7.429 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.473 6.498 -0.940 1.00 0.00 H new ATOM 0 HG SER A 86 -0.997 6.384 -2.512 1.00 0.00 H new ATOM 1254 N THR A 87 -1.942 10.708 -0.102 1.00 0.00 N ATOM 1255 CA THR A 87 -1.155 11.933 -0.064 1.00 0.00 C ATOM 1256 C THR A 87 0.156 11.701 0.681 1.00 0.00 C ATOM 1257 O THR A 87 0.629 12.567 1.417 1.00 0.00 O ATOM 1258 CB THR A 87 -1.932 13.077 0.616 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.250 12.720 1.966 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.213 13.387 -0.146 1.00 0.00 C ATOM 0 H THR A 87 -2.508 10.545 0.731 1.00 0.00 H new ATOM 0 HA THR A 87 -0.944 12.219 -1.094 1.00 0.00 H new ATOM 0 HB THR A 87 -1.301 13.966 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.742 13.453 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.745 14.197 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.967 13.686 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.845 12.499 -0.171 1.00 0.00 H new ATOM 1268 N VAL A 88 0.733 10.517 0.482 1.00 0.00 N ATOM 1269 CA VAL A 88 1.988 10.142 1.130 1.00 0.00 C ATOM 1270 C VAL A 88 2.773 9.165 0.262 1.00 0.00 C ATOM 1271 O VAL A 88 2.205 8.483 -0.591 1.00 0.00 O ATOM 1272 CB VAL A 88 1.750 9.492 2.511 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.117 10.481 3.478 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.885 8.248 2.374 1.00 0.00 C ATOM 0 H VAL A 88 0.347 9.796 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 88 2.557 11.062 1.266 1.00 0.00 H new ATOM 0 HB VAL A 88 2.718 9.197 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.960 9.998 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.777 11.339 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.159 10.816 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.728 7.804 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.078 8.520 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.384 7.528 1.726 1.00 0.00 H new ATOM 1284 N SER A 89 4.082 9.104 0.482 1.00 0.00 N ATOM 1285 CA SER A 89 4.945 8.211 -0.282 1.00 0.00 C ATOM 1286 C SER A 89 6.086 7.684 0.581 1.00 0.00 C ATOM 1287 O SER A 89 6.706 8.434 1.336 1.00 0.00 O ATOM 1288 CB SER A 89 5.508 8.937 -1.505 1.00 0.00 C ATOM 1289 OG SER A 89 6.273 10.066 -1.119 1.00 0.00 O ATOM 0 H SER A 89 4.568 9.663 1.183 1.00 0.00 H new ATOM 0 HA SER A 89 4.345 7.363 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.129 8.253 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.690 9.252 -2.154 1.00 0.00 H new ATOM 0 HG SER A 89 6.624 10.512 -1.918 1.00 0.00 H new ATOM 1295 N PHE A 90 6.355 6.388 0.465 1.00 0.00 N ATOM 1296 CA PHE A 90 7.419 5.752 1.233 1.00 0.00 C ATOM 1297 C PHE A 90 8.761 5.899 0.526 1.00 0.00 C ATOM 1298 O PHE A 90 8.879 5.609 -0.665 1.00 0.00 O ATOM 1299 CB PHE A 90 7.106 4.270 1.443 1.00 0.00 C ATOM 1300 CG PHE A 90 8.133 3.550 2.271 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.317 3.873 3.605 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.909 2.544 1.715 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.255 3.208 4.370 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.848 1.875 2.476 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.022 2.208 3.806 1.00 0.00 C ATOM 0 H PHE A 90 5.849 5.756 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 90 7.480 6.248 2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.133 4.177 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.028 3.782 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.720 4.654 4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.778 2.281 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.389 3.470 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.446 1.093 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.756 1.687 4.403 1.00 0.00 H new ATOM 1315 N LYS A 91 9.770 6.345 1.266 1.00 0.00 N ATOM 1316 CA LYS A 91 11.104 6.523 0.707 1.00 0.00 C ATOM 1317 C LYS A 91 11.859 5.198 0.684 1.00 0.00 C ATOM 1318 O LYS A 91 12.070 4.575 1.725 1.00 0.00 O ATOM 1319 CB LYS A 91 11.884 7.556 1.521 1.00 0.00 C ATOM 1320 CG LYS A 91 13.273 7.839 0.975 1.00 0.00 C ATOM 1321 CD LYS A 91 14.002 8.871 1.818 1.00 0.00 C ATOM 1322 CE LYS A 91 15.403 9.131 1.291 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.384 9.638 -0.109 1.00 0.00 N ATOM 0 H LYS A 91 9.689 6.589 2.253 1.00 0.00 H new ATOM 0 HA LYS A 91 11.002 6.882 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.317 8.487 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.972 7.205 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.850 6.915 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.196 8.195 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.436 9.802 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.059 8.525 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.904 9.856 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.985 8.210 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.324 10.009 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.136 8.862 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.679 10.398 -0.194 1.00 0.00 H new ATOM 1337 N LEU A 92 12.268 4.773 -0.508 1.00 0.00 N ATOM 1338 CA LEU A 92 13.004 3.522 -0.664 1.00 0.00 C ATOM 1339 C LEU A 92 14.493 3.727 -0.403 1.00 0.00 C ATOM 1340 O LEU A 92 15.123 4.598 -1.005 1.00 0.00 O ATOM 1341 CB LEU A 92 12.798 2.947 -2.071 1.00 0.00 C ATOM 1342 CG LEU A 92 11.391 2.417 -2.377 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.996 1.335 -1.385 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.372 3.547 -2.373 1.00 0.00 C ATOM 0 H LEU A 92 12.102 5.276 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 92 12.617 2.815 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.040 3.722 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.511 2.136 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 92 11.406 1.978 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.995 0.973 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.704 0.509 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.005 1.746 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.383 3.146 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.361 4.024 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.641 4.283 -3.131 1.00 0.00 H new ATOM 1356 N LEU A 93 15.054 2.918 0.491 1.00 0.00 N ATOM 1357 CA LEU A 93 16.473 3.009 0.821 1.00 0.00 C ATOM 1358 C LEU A 93 17.288 2.025 -0.013 1.00 0.00 C ATOM 1359 O LEU A 93 16.907 0.864 -0.163 1.00 0.00 O ATOM 1360 CB LEU A 93 16.695 2.744 2.312 1.00 0.00 C ATOM 1361 CG LEU A 93 15.944 3.682 3.263 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.291 3.363 4.709 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.260 5.137 2.945 1.00 0.00 C ATOM 0 H LEU A 93 14.548 2.193 1.000 1.00 0.00 H new ATOM 0 HA LEU A 93 16.809 4.020 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.398 1.718 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.762 2.818 2.522 1.00 0.00 H new ATOM 0 HG LEU A 93 14.874 3.527 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.749 4.039 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.010 2.334 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.363 3.488 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.717 5.786 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.331 5.309 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.959 5.359 1.921 1.00 0.00 H new ATOM 1375 N LYS A 94 18.408 2.494 -0.553 1.00 0.00 N ATOM 1376 CA LYS A 94 19.275 1.652 -1.371 1.00 0.00 C ATOM 1377 C LYS A 94 19.919 0.551 -0.530 1.00 0.00 C ATOM 1378 O LYS A 94 20.500 0.825 0.520 1.00 0.00 O ATOM 1379 CB LYS A 94 20.362 2.496 -2.040 1.00 0.00 C ATOM 1380 CG LYS A 94 19.825 3.541 -3.006 1.00 0.00 C ATOM 1381 CD LYS A 94 19.118 2.898 -4.188 1.00 0.00 C ATOM 1382 CE LYS A 94 18.605 3.945 -5.166 1.00 0.00 C ATOM 1383 NZ LYS A 94 17.669 4.903 -4.515 1.00 0.00 N ATOM 0 H LYS A 94 18.737 3.453 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 94 18.660 1.186 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.947 2.996 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.042 1.835 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.133 4.200 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.646 4.161 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.804 2.224 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.285 2.293 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.448 4.492 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.099 3.450 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.176 5.456 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.973 4.378 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.204 5.545 -3.896 1.00 0.00 H new ATOM 1397 N PRO A 95 19.826 -0.715 -0.981 1.00 0.00 N ATOM 1398 CA PRO A 95 20.406 -1.857 -0.262 1.00 0.00 C ATOM 1399 C PRO A 95 21.918 -1.742 -0.109 1.00 0.00 C ATOM 1400 O PRO A 95 22.624 -1.429 -1.068 1.00 0.00 O ATOM 1401 CB PRO A 95 20.060 -3.059 -1.147 1.00 0.00 C ATOM 1402 CG PRO A 95 18.918 -2.603 -1.986 1.00 0.00 C ATOM 1403 CD PRO A 95 19.150 -1.139 -2.220 1.00 0.00 C ATOM 0 HA PRO A 95 20.016 -1.929 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.910 -3.353 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.787 -3.926 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.881 -3.150 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.967 -2.774 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.769 -0.963 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.215 -0.601 -2.375 1.00 0.00 H new