USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 55 THR OG1 : rot 127:sc= 1.33 USER MOD Set 1.2: A 58 THR OG1 : rot 154:sc= 0.483 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.5!) USER MOD Single : A 16 SER OG : rot -39:sc= -2.97 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 29:sc= -3.04! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.164 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0348) USER MOD Single : A 40 MET CE :methyl -148:sc= -2.27 (180deg=-5.07!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= -0.0438 (180deg=-0.637) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= 0.932 (180deg=0.372) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0637 K(o=-0.064,f=-0.59) USER MOD Single : A 65 SER OG : rot -55:sc= 0.722 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-0.8) USER MOD Single : A 69 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc=-0.00119 (180deg=-0.37) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 13.233 -3.210 11.123 1.00 0.00 N ATOM 131 CA SER A 10 13.071 -4.579 10.665 1.00 0.00 C ATOM 132 C SER A 10 12.571 -4.617 9.222 1.00 0.00 C ATOM 133 O SER A 10 11.806 -3.750 8.800 1.00 0.00 O ATOM 134 CB SER A 10 12.099 -5.333 11.574 1.00 0.00 C ATOM 135 OG SER A 10 12.788 -5.995 12.621 1.00 0.00 O ATOM 0 HA SER A 10 14.046 -5.065 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.375 -4.636 11.995 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.537 -6.060 10.987 1.00 0.00 H new ATOM 0 HG SER A 10 12.144 -6.468 13.189 1.00 0.00 H new ATOM 141 N PRO A 11 12.999 -5.626 8.445 1.00 0.00 N ATOM 142 CA PRO A 11 12.590 -5.773 7.046 1.00 0.00 C ATOM 143 C PRO A 11 11.128 -6.182 6.902 1.00 0.00 C ATOM 144 O PRO A 11 10.560 -6.116 5.812 1.00 0.00 O ATOM 145 CB PRO A 11 13.509 -6.875 6.521 1.00 0.00 C ATOM 146 CG PRO A 11 13.858 -7.674 7.723 1.00 0.00 C ATOM 147 CD PRO A 11 13.911 -6.702 8.870 1.00 0.00 C ATOM 0 HA PRO A 11 12.673 -4.833 6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.007 -7.486 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.399 -6.458 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.115 -8.450 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.817 -8.175 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.584 -7.162 9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.922 -6.330 9.036 1.00 0.00 H new ATOM 155 N ASP A 12 10.521 -6.600 8.009 1.00 0.00 N ATOM 156 CA ASP A 12 9.123 -7.015 8.004 1.00 0.00 C ATOM 157 C ASP A 12 8.220 -5.894 7.501 1.00 0.00 C ATOM 158 O ASP A 12 7.112 -6.140 7.026 1.00 0.00 O ATOM 159 CB ASP A 12 8.694 -7.439 9.406 1.00 0.00 C ATOM 160 CG ASP A 12 8.388 -8.922 9.495 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.288 -9.328 9.066 1.00 0.00 O ATOM 162 OD2 ASP A 12 9.249 -9.677 9.995 1.00 0.00 O ATOM 0 H ASP A 12 10.976 -6.660 8.920 1.00 0.00 H new ATOM 0 HA ASP A 12 9.025 -7.864 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.484 -7.191 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.812 -6.871 9.700 1.00 0.00 H new ATOM 167 N ILE A 13 8.706 -4.664 7.607 1.00 0.00 N ATOM 168 CA ILE A 13 7.949 -3.504 7.162 1.00 0.00 C ATOM 169 C ILE A 13 7.827 -3.488 5.651 1.00 0.00 C ATOM 170 O ILE A 13 6.726 -3.489 5.101 1.00 0.00 O ATOM 171 CB ILE A 13 8.587 -2.193 7.632 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.926 -2.265 9.123 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.662 -1.020 7.345 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.507 -0.982 9.676 1.00 0.00 C ATOM 0 H ILE A 13 9.622 -4.445 7.998 1.00 0.00 H new ATOM 0 HA ILE A 13 6.957 -3.584 7.607 1.00 0.00 H new ATOM 0 HB ILE A 13 9.514 -2.041 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.023 -2.515 9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.636 -3.076 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.130 -0.096 7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.474 -0.959 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.718 -1.164 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.722 -1.108 10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.428 -0.741 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.790 -0.172 9.545 1.00 0.00 H new ATOM 186 N GLU A 14 8.969 -3.491 4.988 1.00 0.00 N ATOM 187 CA GLU A 14 9.004 -3.495 3.534 1.00 0.00 C ATOM 188 C GLU A 14 8.344 -4.757 2.996 1.00 0.00 C ATOM 189 O GLU A 14 7.856 -4.785 1.866 1.00 0.00 O ATOM 190 CB GLU A 14 10.446 -3.398 3.031 1.00 0.00 C ATOM 191 CG GLU A 14 10.915 -1.971 2.800 1.00 0.00 C ATOM 192 CD GLU A 14 11.005 -1.171 4.085 1.00 0.00 C ATOM 193 OE1 GLU A 14 11.541 -1.703 5.079 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.539 -0.012 4.097 1.00 0.00 O ATOM 0 H GLU A 14 9.887 -3.491 5.433 1.00 0.00 H new ATOM 0 HA GLU A 14 8.452 -2.627 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.107 -3.876 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.535 -3.956 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.892 -1.987 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.229 -1.474 2.114 1.00 0.00 H new ATOM 201 N GLN A 15 8.324 -5.797 3.823 1.00 0.00 N ATOM 202 CA GLN A 15 7.717 -7.059 3.449 1.00 0.00 C ATOM 203 C GLN A 15 6.207 -6.968 3.530 1.00 0.00 C ATOM 204 O GLN A 15 5.490 -7.434 2.644 1.00 0.00 O ATOM 205 CB GLN A 15 8.232 -8.170 4.339 1.00 0.00 C ATOM 206 CG GLN A 15 9.389 -8.922 3.721 1.00 0.00 C ATOM 207 CD GLN A 15 8.943 -9.953 2.704 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.240 -9.633 1.745 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.350 -11.201 2.909 1.00 0.00 N ATOM 0 H GLN A 15 8.725 -5.785 4.761 1.00 0.00 H new ATOM 0 HA GLN A 15 7.990 -7.285 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.546 -7.749 5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.421 -8.867 4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.063 -8.212 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.957 -9.417 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.932 -11.421 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.081 -11.939 2.258 1.00 0.00 H new ATOM 218 N SER A 16 5.734 -6.345 4.596 1.00 0.00 N ATOM 219 CA SER A 16 4.308 -6.163 4.800 1.00 0.00 C ATOM 220 C SER A 16 3.742 -5.240 3.729 1.00 0.00 C ATOM 221 O SER A 16 2.551 -5.280 3.423 1.00 0.00 O ATOM 222 CB SER A 16 4.035 -5.588 6.191 1.00 0.00 C ATOM 223 OG SER A 16 2.748 -5.961 6.653 1.00 0.00 O ATOM 0 H SER A 16 6.319 -5.956 5.335 1.00 0.00 H new ATOM 0 HA SER A 16 3.818 -7.134 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.793 -5.943 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.113 -4.501 6.161 1.00 0.00 H new ATOM 0 HG SER A 16 2.111 -5.927 5.909 1.00 0.00 H new ATOM 229 N PHE A 17 4.612 -4.412 3.157 1.00 0.00 N ATOM 230 CA PHE A 17 4.211 -3.483 2.115 1.00 0.00 C ATOM 231 C PHE A 17 3.843 -4.229 0.844 1.00 0.00 C ATOM 232 O PHE A 17 2.946 -3.819 0.107 1.00 0.00 O ATOM 233 CB PHE A 17 5.326 -2.477 1.837 1.00 0.00 C ATOM 234 CG PHE A 17 4.937 -1.054 2.121 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.717 -0.630 3.422 1.00 0.00 C ATOM 236 CD2 PHE A 17 4.792 -0.142 1.088 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.360 0.679 3.687 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.435 1.167 1.347 1.00 0.00 C ATOM 239 CZ PHE A 17 4.218 1.578 2.648 1.00 0.00 C ATOM 0 H PHE A 17 5.601 -4.369 3.401 1.00 0.00 H new ATOM 0 HA PHE A 17 3.332 -2.940 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.195 -2.735 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.628 -2.561 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.826 -1.330 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.960 -0.458 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.192 0.998 4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.326 1.869 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.938 2.601 2.852 1.00 0.00 H new ATOM 249 N GLN A 18 4.535 -5.332 0.595 1.00 0.00 N ATOM 250 CA GLN A 18 4.267 -6.137 -0.587 1.00 0.00 C ATOM 251 C GLN A 18 2.879 -6.748 -0.503 1.00 0.00 C ATOM 252 O GLN A 18 2.179 -6.873 -1.506 1.00 0.00 O ATOM 253 CB GLN A 18 5.313 -7.242 -0.750 1.00 0.00 C ATOM 254 CG GLN A 18 4.929 -8.289 -1.786 1.00 0.00 C ATOM 255 CD GLN A 18 6.112 -9.116 -2.250 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.756 -8.794 -3.248 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.404 -10.190 -1.525 1.00 0.00 N ATOM 0 H GLN A 18 5.282 -5.688 1.192 1.00 0.00 H new ATOM 0 HA GLN A 18 4.320 -5.484 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.265 -6.792 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.466 -7.732 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.172 -8.950 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.477 -7.794 -2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.843 -10.420 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.189 -10.785 -1.789 1.00 0.00 H new ATOM 266 N GLU A 19 2.492 -7.124 0.704 1.00 0.00 N ATOM 267 CA GLU A 19 1.185 -7.722 0.930 1.00 0.00 C ATOM 268 C GLU A 19 0.086 -6.767 0.503 1.00 0.00 C ATOM 269 O GLU A 19 -0.947 -7.181 -0.019 1.00 0.00 O ATOM 270 CB GLU A 19 1.016 -8.109 2.398 1.00 0.00 C ATOM 271 CG GLU A 19 0.817 -9.600 2.614 1.00 0.00 C ATOM 272 CD GLU A 19 2.069 -10.288 3.122 1.00 0.00 C ATOM 273 OE1 GLU A 19 2.271 -10.320 4.354 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.847 -10.795 2.287 1.00 0.00 O ATOM 0 H GLU A 19 3.063 -7.026 1.543 1.00 0.00 H new ATOM 0 HA GLU A 19 1.112 -8.627 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.895 -7.784 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.161 -7.573 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.007 -9.755 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.509 -10.061 1.676 1.00 0.00 H new ATOM 281 N ALA A 20 0.327 -5.484 0.714 1.00 0.00 N ATOM 282 CA ALA A 20 -0.629 -4.461 0.337 1.00 0.00 C ATOM 283 C ALA A 20 -0.542 -4.175 -1.154 1.00 0.00 C ATOM 284 O ALA A 20 -1.515 -3.751 -1.774 1.00 0.00 O ATOM 285 CB ALA A 20 -0.401 -3.190 1.142 1.00 0.00 C ATOM 0 H ALA A 20 1.179 -5.127 1.146 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.631 -4.829 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.129 -2.435 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.517 -3.406 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.606 -2.817 0.956 1.00 0.00 H new ATOM 291 N LEU A 21 0.629 -4.420 -1.725 1.00 0.00 N ATOM 292 CA LEU A 21 0.843 -4.200 -3.142 1.00 0.00 C ATOM 293 C LEU A 21 0.333 -5.385 -3.947 1.00 0.00 C ATOM 294 O LEU A 21 -0.162 -5.228 -5.063 1.00 0.00 O ATOM 295 CB LEU A 21 2.322 -3.953 -3.428 1.00 0.00 C ATOM 296 CG LEU A 21 2.662 -2.539 -3.902 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.957 -2.232 -5.214 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.283 -1.517 -2.840 1.00 0.00 C ATOM 0 H LEU A 21 1.445 -4.772 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 21 0.283 -3.314 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.892 -4.163 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.654 -4.663 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 21 3.738 -2.480 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.211 -1.222 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.276 -2.946 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.879 -2.308 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.532 -0.516 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.213 -1.577 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.833 -1.725 -1.922 1.00 0.00 H new ATOM 310 N SER A 22 0.443 -6.568 -3.361 1.00 0.00 N ATOM 311 CA SER A 22 -0.021 -7.783 -4.007 1.00 0.00 C ATOM 312 C SER A 22 -1.534 -7.887 -3.889 1.00 0.00 C ATOM 313 O SER A 22 -2.209 -8.410 -4.775 1.00 0.00 O ATOM 314 CB SER A 22 0.644 -9.012 -3.382 1.00 0.00 C ATOM 315 OG SER A 22 0.609 -10.116 -4.269 1.00 0.00 O ATOM 0 H SER A 22 0.851 -6.711 -2.437 1.00 0.00 H new ATOM 0 HA SER A 22 0.252 -7.744 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.678 -8.780 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.136 -9.271 -2.453 1.00 0.00 H new ATOM 0 HG SER A 22 1.041 -10.888 -3.848 1.00 0.00 H new ATOM 321 N ILE A 23 -2.053 -7.374 -2.782 1.00 0.00 N ATOM 322 CA ILE A 23 -3.483 -7.387 -2.524 1.00 0.00 C ATOM 323 C ILE A 23 -4.144 -6.130 -3.070 1.00 0.00 C ATOM 324 O ILE A 23 -5.273 -6.163 -3.560 1.00 0.00 O ATOM 325 CB ILE A 23 -3.773 -7.516 -1.011 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.931 -8.487 -0.772 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.071 -6.159 -0.380 1.00 0.00 C ATOM 328 CD1 ILE A 23 -6.259 -7.985 -1.296 1.00 0.00 C ATOM 0 H ILE A 23 -1.498 -6.941 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.901 -8.255 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.878 -7.912 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.699 -9.440 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.020 -8.677 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.270 -6.288 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.212 -5.500 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.944 -5.718 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.034 -8.724 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.514 -7.047 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.188 -7.822 -2.371 1.00 0.00 H new ATOM 340 N TYR A 24 -3.423 -5.026 -2.968 1.00 0.00 N ATOM 341 CA TYR A 24 -3.908 -3.738 -3.433 1.00 0.00 C ATOM 342 C TYR A 24 -3.042 -3.200 -4.572 1.00 0.00 C ATOM 343 O TYR A 24 -2.126 -2.409 -4.346 1.00 0.00 O ATOM 344 CB TYR A 24 -3.939 -2.737 -2.279 1.00 0.00 C ATOM 345 CG TYR A 24 -5.290 -2.095 -2.052 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.465 -2.821 -2.199 1.00 0.00 C ATOM 347 CD2 TYR A 24 -5.386 -0.758 -1.688 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.698 -2.232 -1.989 1.00 0.00 C ATOM 349 CE2 TYR A 24 -6.614 -0.162 -1.476 1.00 0.00 C ATOM 350 CZ TYR A 24 -7.767 -0.903 -1.628 1.00 0.00 C ATOM 351 OH TYR A 24 -8.992 -0.314 -1.417 1.00 0.00 O ATOM 0 H TYR A 24 -2.488 -4.997 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.920 -3.877 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.632 -3.244 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.205 -1.955 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.415 -3.862 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.485 -0.174 -1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.603 -2.810 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.671 0.879 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.631 -0.990 -1.109 1.00 0.00 H new ATOM 361 N PRO A 25 -3.324 -3.620 -5.817 1.00 0.00 N ATOM 362 CA PRO A 25 -2.581 -3.183 -6.989 1.00 0.00 C ATOM 363 C PRO A 25 -3.118 -1.868 -7.551 1.00 0.00 C ATOM 364 O PRO A 25 -4.148 -1.367 -7.100 1.00 0.00 O ATOM 365 CB PRO A 25 -2.788 -4.323 -7.994 1.00 0.00 C ATOM 366 CG PRO A 25 -3.862 -5.207 -7.433 1.00 0.00 C ATOM 367 CD PRO A 25 -4.389 -4.552 -6.184 1.00 0.00 C ATOM 0 HA PRO A 25 -1.533 -2.991 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.080 -3.931 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.864 -4.882 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.663 -5.344 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.464 -6.196 -7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.331 -4.034 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.575 -5.281 -5.395 1.00 0.00 H new ATOM 375 N PRO A 26 -2.426 -1.291 -8.548 1.00 0.00 N ATOM 376 CA PRO A 26 -2.842 -0.029 -9.169 1.00 0.00 C ATOM 377 C PRO A 26 -4.196 -0.137 -9.861 1.00 0.00 C ATOM 378 O PRO A 26 -4.853 0.870 -10.123 1.00 0.00 O ATOM 379 CB PRO A 26 -1.739 0.258 -10.191 1.00 0.00 C ATOM 380 CG PRO A 26 -1.098 -1.060 -10.441 1.00 0.00 C ATOM 381 CD PRO A 26 -1.190 -1.817 -9.148 1.00 0.00 C ATOM 0 HA PRO A 26 -2.965 0.761 -8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.150 0.678 -11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.020 0.980 -9.804 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.606 -1.595 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.059 -0.937 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.247 -2.893 -9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.323 -1.637 -8.512 1.00 0.00 H new ATOM 389 N CYS A 27 -4.607 -1.365 -10.153 1.00 0.00 N ATOM 390 CA CYS A 27 -5.878 -1.611 -10.811 1.00 0.00 C ATOM 391 C CYS A 27 -6.332 -3.052 -10.597 1.00 0.00 C ATOM 392 O CYS A 27 -5.549 -3.904 -10.177 1.00 0.00 O ATOM 393 CB CYS A 27 -5.765 -1.313 -12.302 1.00 0.00 C ATOM 394 SG CYS A 27 -7.040 -0.197 -12.932 1.00 0.00 S ATOM 0 H CYS A 27 -4.073 -2.208 -9.942 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.623 -0.948 -10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.786 -0.877 -12.501 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.814 -2.252 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.858 -0.004 -14.205 1.00 0.00 H new ATOM 400 N GLY A 28 -7.601 -3.317 -10.890 1.00 0.00 N ATOM 401 CA GLY A 28 -8.134 -4.657 -10.724 1.00 0.00 C ATOM 402 C GLY A 28 -9.551 -4.659 -10.183 1.00 0.00 C ATOM 403 O GLY A 28 -10.396 -5.426 -10.644 1.00 0.00 O ATOM 0 H GLY A 28 -8.269 -2.629 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.115 -5.173 -11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.490 -5.219 -10.047 1.00 0.00 H new ATOM 407 N ARG A 29 -9.812 -3.799 -9.204 1.00 0.00 N ATOM 408 CA ARG A 29 -11.134 -3.706 -8.604 1.00 0.00 C ATOM 409 C ARG A 29 -11.325 -2.365 -7.903 1.00 0.00 C ATOM 410 O ARG A 29 -10.502 -1.960 -7.081 1.00 0.00 O ATOM 411 CB ARG A 29 -11.351 -4.850 -7.613 1.00 0.00 C ATOM 412 CG ARG A 29 -12.773 -5.388 -7.605 1.00 0.00 C ATOM 413 CD ARG A 29 -12.830 -6.802 -7.050 1.00 0.00 C ATOM 414 NE ARG A 29 -13.962 -7.554 -7.585 1.00 0.00 N ATOM 415 CZ ARG A 29 -15.217 -7.405 -7.167 1.00 0.00 C ATOM 416 NH1 ARG A 29 -15.505 -6.533 -6.208 1.00 0.00 N ATOM 417 NH2 ARG A 29 -16.187 -8.129 -7.708 1.00 0.00 N ATOM 0 H ARG A 29 -9.124 -3.157 -8.811 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.871 -3.783 -9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.666 -5.663 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.097 -4.505 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.407 -4.735 -7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.173 -5.377 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.903 -7.323 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.902 -6.762 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.780 -8.234 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.763 -5.973 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.468 -6.423 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.972 -8.801 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.148 -8.014 -7.387 1.00 0.00 H new ATOM 431 N ARG A 30 -12.417 -1.682 -8.230 1.00 0.00 N ATOM 432 CA ARG A 30 -12.720 -0.393 -7.632 1.00 0.00 C ATOM 433 C ARG A 30 -14.215 -0.256 -7.362 1.00 0.00 C ATOM 434 O ARG A 30 -14.960 0.269 -8.189 1.00 0.00 O ATOM 435 CB ARG A 30 -12.245 0.742 -8.540 1.00 0.00 C ATOM 436 CG ARG A 30 -10.778 1.094 -8.357 1.00 0.00 C ATOM 437 CD ARG A 30 -10.407 2.354 -9.123 1.00 0.00 C ATOM 438 NE ARG A 30 -8.961 2.550 -9.189 1.00 0.00 N ATOM 439 CZ ARG A 30 -8.384 3.682 -9.583 1.00 0.00 C ATOM 440 NH1 ARG A 30 -9.125 4.721 -9.949 1.00 0.00 N ATOM 441 NH2 ARG A 30 -7.061 3.777 -9.612 1.00 0.00 N ATOM 0 H ARG A 30 -13.107 -2.004 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.191 -0.330 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.416 0.460 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.850 1.628 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.566 1.236 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.159 0.264 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.811 2.296 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.868 3.218 -8.644 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.358 1.773 -8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.143 4.654 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.677 5.586 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.486 2.982 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.619 4.645 -9.914 1.00 0.00 H new ATOM 455 N LYS A 31 -14.648 -0.730 -6.198 1.00 0.00 N ATOM 456 CA LYS A 31 -16.049 -0.659 -5.818 1.00 0.00 C ATOM 457 C LYS A 31 -16.201 -0.560 -4.303 1.00 0.00 C ATOM 458 O LYS A 31 -15.951 -1.525 -3.580 1.00 0.00 O ATOM 459 CB LYS A 31 -16.806 -1.881 -6.342 1.00 0.00 C ATOM 460 CG LYS A 31 -18.315 -1.700 -6.360 1.00 0.00 C ATOM 461 CD LYS A 31 -19.036 -3.037 -6.317 1.00 0.00 C ATOM 462 CE LYS A 31 -20.275 -3.030 -7.197 1.00 0.00 C ATOM 463 NZ LYS A 31 -20.486 -4.340 -7.872 1.00 0.00 N ATOM 0 H LYS A 31 -14.045 -1.168 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.474 0.240 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.463 -2.105 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.559 -2.744 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.620 -1.093 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.607 -1.157 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.360 -3.827 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.319 -3.266 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.149 -2.789 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.182 -2.246 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.341 -4.293 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.664 -4.559 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.601 -5.085 -7.156 1.00 0.00 H new ATOM 477 N ILE A 32 -16.616 0.610 -3.830 1.00 0.00 N ATOM 478 CA ILE A 32 -16.806 0.837 -2.407 1.00 0.00 C ATOM 479 C ILE A 32 -17.950 1.811 -2.152 1.00 0.00 C ATOM 480 O ILE A 32 -17.976 2.911 -2.704 1.00 0.00 O ATOM 481 CB ILE A 32 -15.535 1.375 -1.731 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.275 0.824 -2.406 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.539 1.030 -0.250 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.932 1.518 -3.707 1.00 0.00 C ATOM 0 H ILE A 32 -16.827 1.417 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.047 -0.134 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.527 2.460 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.434 0.920 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.411 -0.241 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.633 1.417 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.412 1.478 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.575 -0.053 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.029 1.076 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.756 1.400 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.764 2.579 -3.520 1.00 0.00 H new ATOM 496 N ILE A 33 -18.896 1.399 -1.313 1.00 0.00 N ATOM 497 CA ILE A 33 -20.040 2.226 -0.984 1.00 0.00 C ATOM 498 C ILE A 33 -19.916 2.797 0.425 1.00 0.00 C ATOM 499 O ILE A 33 -19.823 2.052 1.401 1.00 0.00 O ATOM 500 CB ILE A 33 -21.368 1.444 -1.095 1.00 0.00 C ATOM 501 CG1 ILE A 33 -21.139 -0.064 -0.950 1.00 0.00 C ATOM 502 CG2 ILE A 33 -22.058 1.752 -2.415 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.407 -0.844 -0.678 1.00 0.00 C ATOM 0 H ILE A 33 -18.887 0.491 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 33 -20.053 3.040 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.015 1.765 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -20.678 -0.443 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.433 -0.240 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -22.992 1.193 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -22.270 2.820 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -21.408 1.465 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -22.170 -1.904 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.859 -0.492 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -23.107 -0.698 -1.500 1.00 0.00 H new ATOM 515 N LEU A 34 -19.916 4.122 0.525 1.00 0.00 N ATOM 516 CA LEU A 34 -19.805 4.791 1.805 1.00 0.00 C ATOM 517 C LEU A 34 -21.136 5.414 2.217 1.00 0.00 C ATOM 518 O LEU A 34 -21.378 5.655 3.399 1.00 0.00 O ATOM 519 CB LEU A 34 -18.708 5.866 1.777 1.00 0.00 C ATOM 520 CG LEU A 34 -18.292 6.391 0.395 1.00 0.00 C ATOM 521 CD1 LEU A 34 -17.628 5.295 -0.430 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.487 6.981 -0.343 1.00 0.00 C ATOM 0 H LEU A 34 -19.992 4.752 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.531 4.037 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.046 6.712 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -17.823 5.462 2.268 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.561 7.186 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.344 5.694 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.739 4.937 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.326 4.469 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.168 7.346 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.249 6.213 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.901 7.807 0.236 1.00 0.00 H new ATOM 534 N SER A 35 -21.994 5.674 1.238 1.00 0.00 N ATOM 535 CA SER A 35 -23.297 6.269 1.503 1.00 0.00 C ATOM 536 C SER A 35 -24.213 5.285 2.220 1.00 0.00 C ATOM 537 O SER A 35 -25.125 5.683 2.946 1.00 0.00 O ATOM 538 CB SER A 35 -23.945 6.734 0.196 1.00 0.00 C ATOM 539 OG SER A 35 -23.335 6.117 -0.925 1.00 0.00 O ATOM 0 H SER A 35 -21.810 5.482 0.253 1.00 0.00 H new ATOM 0 HA SER A 35 -23.148 7.132 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.009 6.498 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.860 7.817 0.110 1.00 0.00 H new ATOM 0 HG SER A 35 -23.768 6.430 -1.747 1.00 0.00 H new ATOM 545 N ASP A 36 -23.965 3.999 2.010 1.00 0.00 N ATOM 546 CA ASP A 36 -24.764 2.954 2.629 1.00 0.00 C ATOM 547 C ASP A 36 -24.257 2.632 4.031 1.00 0.00 C ATOM 548 O ASP A 36 -24.932 2.906 5.024 1.00 0.00 O ATOM 549 CB ASP A 36 -24.746 1.691 1.766 1.00 0.00 C ATOM 550 CG ASP A 36 -26.076 0.964 1.778 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.068 1.532 1.274 1.00 0.00 O ATOM 552 OD2 ASP A 36 -26.127 -0.174 2.292 1.00 0.00 O ATOM 0 H ASP A 36 -23.213 3.655 1.413 1.00 0.00 H new ATOM 0 HA ASP A 36 -25.788 3.318 2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -24.490 1.958 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -23.965 1.020 2.125 1.00 0.00 H new ATOM 557 N GLU A 37 -23.067 2.044 4.105 1.00 0.00 N ATOM 558 CA GLU A 37 -22.472 1.679 5.385 1.00 0.00 C ATOM 559 C GLU A 37 -22.165 2.913 6.227 1.00 0.00 C ATOM 560 O GLU A 37 -22.105 2.839 7.455 1.00 0.00 O ATOM 561 CB GLU A 37 -21.200 0.863 5.164 1.00 0.00 C ATOM 562 CG GLU A 37 -21.277 -0.545 5.721 1.00 0.00 C ATOM 563 CD GLU A 37 -21.123 -1.608 4.651 1.00 0.00 C ATOM 564 OE1 GLU A 37 -22.132 -1.937 3.991 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.994 -2.111 4.471 1.00 0.00 O ATOM 0 H GLU A 37 -22.496 1.810 3.293 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.196 1.072 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.993 0.811 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.360 1.382 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.499 -0.677 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.234 -0.680 6.226 1.00 0.00 H new ATOM 572 N GLY A 38 -21.972 4.043 5.562 1.00 0.00 N ATOM 573 CA GLY A 38 -21.672 5.276 6.266 1.00 0.00 C ATOM 574 C GLY A 38 -20.354 5.216 7.015 1.00 0.00 C ATOM 575 O GLY A 38 -20.080 6.061 7.868 1.00 0.00 O ATOM 0 H GLY A 38 -22.018 4.129 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.643 6.099 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.476 5.493 6.970 1.00 0.00 H new ATOM 579 N LYS A 39 -19.529 4.227 6.686 1.00 0.00 N ATOM 580 CA LYS A 39 -18.236 4.069 7.314 1.00 0.00 C ATOM 581 C LYS A 39 -17.234 3.516 6.312 1.00 0.00 C ATOM 582 O LYS A 39 -17.079 2.303 6.172 1.00 0.00 O ATOM 583 CB LYS A 39 -18.336 3.144 8.528 1.00 0.00 C ATOM 584 CG LYS A 39 -17.012 2.937 9.246 1.00 0.00 C ATOM 585 CD LYS A 39 -16.883 3.853 10.452 1.00 0.00 C ATOM 586 CE LYS A 39 -16.006 3.234 11.529 1.00 0.00 C ATOM 587 NZ LYS A 39 -16.718 2.161 12.276 1.00 0.00 N ATOM 0 H LYS A 39 -19.742 3.521 5.981 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.894 5.046 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.060 3.557 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.720 2.176 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.929 1.898 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.189 3.124 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.460 4.808 10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.872 4.060 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.106 2.822 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.684 4.009 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.155 1.882 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.645 2.513 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.853 1.337 11.656 1.00 0.00 H new ATOM 601 N MET A 40 -16.555 4.417 5.627 1.00 0.00 N ATOM 602 CA MET A 40 -15.560 4.044 4.640 1.00 0.00 C ATOM 603 C MET A 40 -14.457 5.092 4.566 1.00 0.00 C ATOM 604 O MET A 40 -14.512 6.013 3.751 1.00 0.00 O ATOM 605 CB MET A 40 -16.210 3.859 3.267 1.00 0.00 C ATOM 606 CG MET A 40 -15.812 2.566 2.575 1.00 0.00 C ATOM 607 SD MET A 40 -16.213 1.103 3.550 1.00 0.00 S ATOM 608 CE MET A 40 -17.097 0.121 2.341 1.00 0.00 C ATOM 0 H MET A 40 -16.677 5.424 5.738 1.00 0.00 H new ATOM 0 HA MET A 40 -15.116 3.097 4.945 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.294 3.881 3.381 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.939 4.701 2.630 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.317 2.505 1.611 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.741 2.581 2.374 1.00 0.00 H new ATOM 0 HE1 MET A 40 -17.859 -0.475 2.843 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.572 0.780 1.614 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.398 -0.541 1.829 1.00 0.00 H new ATOM 618 N TYR A 41 -13.458 4.941 5.423 1.00 0.00 N ATOM 619 CA TYR A 41 -12.335 5.867 5.464 1.00 0.00 C ATOM 620 C TYR A 41 -11.469 5.728 4.216 1.00 0.00 C ATOM 621 O TYR A 41 -11.800 4.974 3.301 1.00 0.00 O ATOM 622 CB TYR A 41 -11.495 5.626 6.717 1.00 0.00 C ATOM 623 CG TYR A 41 -11.446 6.814 7.652 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.471 7.051 8.559 1.00 0.00 C ATOM 625 CD2 TYR A 41 -10.374 7.697 7.627 1.00 0.00 C ATOM 626 CE1 TYR A 41 -12.429 8.135 9.415 1.00 0.00 C ATOM 627 CE2 TYR A 41 -10.324 8.783 8.480 1.00 0.00 C ATOM 628 CZ TYR A 41 -11.354 8.997 9.372 1.00 0.00 C ATOM 629 OH TYR A 41 -11.309 10.078 10.223 1.00 0.00 O ATOM 0 H TYR A 41 -13.402 4.182 6.103 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.732 6.882 5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.898 4.768 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.479 5.367 6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.314 6.377 8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.566 7.532 6.929 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.234 8.306 10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.483 9.460 8.448 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.485 10.584 10.065 1.00 0.00 H new ATOM 639 N GLY A 42 -10.359 6.459 4.184 1.00 0.00 N ATOM 640 CA GLY A 42 -9.464 6.401 3.041 1.00 0.00 C ATOM 641 C GLY A 42 -9.060 4.982 2.691 1.00 0.00 C ATOM 642 O GLY A 42 -8.768 4.176 3.574 1.00 0.00 O ATOM 0 H GLY A 42 -10.063 7.090 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.950 6.860 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.570 6.988 3.253 1.00 0.00 H new ATOM 646 N ARG A 43 -9.051 4.673 1.399 1.00 0.00 N ATOM 647 CA ARG A 43 -8.687 3.340 0.935 1.00 0.00 C ATOM 648 C ARG A 43 -7.238 3.017 1.265 1.00 0.00 C ATOM 649 O ARG A 43 -6.865 1.852 1.378 1.00 0.00 O ATOM 650 CB ARG A 43 -8.929 3.216 -0.567 1.00 0.00 C ATOM 651 CG ARG A 43 -10.042 2.246 -0.927 1.00 0.00 C ATOM 652 CD ARG A 43 -11.365 2.967 -1.126 1.00 0.00 C ATOM 653 NE ARG A 43 -12.022 3.266 0.144 1.00 0.00 N ATOM 654 CZ ARG A 43 -12.995 4.165 0.282 1.00 0.00 C ATOM 655 NH1 ARG A 43 -13.426 4.853 -0.768 1.00 0.00 N ATOM 656 NH2 ARG A 43 -13.538 4.376 1.473 1.00 0.00 N ATOM 0 H ARG A 43 -9.292 5.328 0.655 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.319 2.620 1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.171 4.199 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.007 2.893 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.778 1.709 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.147 1.502 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.194 3.894 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.024 2.352 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.718 2.756 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.012 4.694 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.171 5.540 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.211 3.850 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.283 5.064 1.579 1.00 0.00 H new ATOM 670 N ASN A 44 -6.425 4.047 1.426 1.00 0.00 N ATOM 671 CA ASN A 44 -5.023 3.855 1.753 1.00 0.00 C ATOM 672 C ASN A 44 -4.865 3.471 3.217 1.00 0.00 C ATOM 673 O ASN A 44 -3.880 2.842 3.604 1.00 0.00 O ATOM 674 CB ASN A 44 -4.223 5.118 1.445 1.00 0.00 C ATOM 675 CG ASN A 44 -3.215 4.907 0.332 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.406 4.062 -0.542 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.133 5.677 0.360 1.00 0.00 N ATOM 0 H ASN A 44 -6.711 5.022 1.336 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.635 3.043 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.907 5.919 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.703 5.444 2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.419 5.580 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.016 6.365 1.104 1.00 0.00 H new ATOM 684 N GLU A 45 -5.848 3.844 4.026 1.00 0.00 N ATOM 685 CA GLU A 45 -5.824 3.529 5.443 1.00 0.00 C ATOM 686 C GLU A 45 -5.976 2.031 5.654 1.00 0.00 C ATOM 687 O GLU A 45 -5.434 1.468 6.605 1.00 0.00 O ATOM 688 CB GLU A 45 -6.930 4.285 6.184 1.00 0.00 C ATOM 689 CG GLU A 45 -6.449 5.561 6.854 1.00 0.00 C ATOM 690 CD GLU A 45 -7.109 5.798 8.198 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.107 4.868 9.033 1.00 0.00 O ATOM 692 OE2 GLU A 45 -7.627 6.913 8.417 1.00 0.00 O ATOM 0 H GLU A 45 -6.671 4.365 3.722 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.862 3.844 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.725 4.531 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.364 3.629 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.368 5.512 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.651 6.409 6.200 1.00 0.00 H new ATOM 699 N LEU A 46 -6.712 1.388 4.756 1.00 0.00 N ATOM 700 CA LEU A 46 -6.929 -0.042 4.838 1.00 0.00 C ATOM 701 C LEU A 46 -5.634 -0.794 4.607 1.00 0.00 C ATOM 702 O LEU A 46 -5.210 -1.612 5.423 1.00 0.00 O ATOM 703 CB LEU A 46 -7.997 -0.468 3.828 1.00 0.00 C ATOM 704 CG LEU A 46 -7.542 -0.741 2.390 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.948 -2.138 2.270 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.709 -0.571 1.427 1.00 0.00 C ATOM 0 H LEU A 46 -7.167 1.840 3.963 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.282 -0.287 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.477 -1.371 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.760 0.310 3.797 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.768 -0.019 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.631 -2.312 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.088 -2.226 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.699 -2.878 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.372 -0.768 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.502 -1.272 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.089 0.448 1.493 1.00 0.00 H new ATOM 718 N ILE A 47 -5.015 -0.494 3.490 1.00 0.00 N ATOM 719 CA ILE A 47 -3.754 -1.115 3.117 1.00 0.00 C ATOM 720 C ILE A 47 -2.663 -0.730 4.102 1.00 0.00 C ATOM 721 O ILE A 47 -1.746 -1.507 4.369 1.00 0.00 O ATOM 722 CB ILE A 47 -3.308 -0.734 1.686 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.968 0.568 1.220 1.00 0.00 C ATOM 724 CG2 ILE A 47 -3.621 -1.863 0.715 1.00 0.00 C ATOM 725 CD1 ILE A 47 -3.245 1.235 0.071 1.00 0.00 C ATOM 0 H ILE A 47 -5.365 0.184 2.813 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.916 -2.193 3.141 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.230 -0.572 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.995 0.358 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.017 1.262 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.301 -1.580 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.092 -2.765 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.694 -2.054 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.768 2.150 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.226 1.477 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.219 0.559 -0.784 1.00 0.00 H new ATOM 737 N ALA A 48 -2.778 0.471 4.649 1.00 0.00 N ATOM 738 CA ALA A 48 -1.813 0.961 5.617 1.00 0.00 C ATOM 739 C ALA A 48 -2.013 0.282 6.964 1.00 0.00 C ATOM 740 O ALA A 48 -1.084 0.183 7.765 1.00 0.00 O ATOM 741 CB ALA A 48 -1.915 2.472 5.754 1.00 0.00 C ATOM 0 H ALA A 48 -3.532 1.124 4.437 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.813 0.718 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.184 2.821 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.716 2.939 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.917 2.740 6.087 1.00 0.00 H new ATOM 747 N ARG A 49 -3.226 -0.202 7.202 1.00 0.00 N ATOM 748 CA ARG A 49 -3.534 -0.890 8.443 1.00 0.00 C ATOM 749 C ARG A 49 -2.883 -2.266 8.449 1.00 0.00 C ATOM 750 O ARG A 49 -2.551 -2.807 9.504 1.00 0.00 O ATOM 751 CB ARG A 49 -5.048 -1.019 8.627 1.00 0.00 C ATOM 752 CG ARG A 49 -5.498 -0.875 10.072 1.00 0.00 C ATOM 753 CD ARG A 49 -6.849 -0.184 10.168 1.00 0.00 C ATOM 754 NE ARG A 49 -7.142 0.258 11.529 1.00 0.00 N ATOM 755 CZ ARG A 49 -8.353 0.623 11.945 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.384 0.601 11.110 1.00 0.00 N ATOM 757 NH2 ARG A 49 -8.533 1.012 13.200 1.00 0.00 N ATOM 0 H ARG A 49 -4.009 -0.130 6.552 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.137 -0.306 9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.545 -0.260 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.371 -1.989 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.558 -1.860 10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.756 -0.305 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.866 0.674 9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.630 -0.866 9.832 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.374 0.289 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.251 0.303 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.309 0.882 11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.744 1.031 13.846 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.461 1.292 13.519 1.00 0.00 H new ATOM 771 N TYR A 50 -2.692 -2.816 7.257 1.00 0.00 N ATOM 772 CA TYR A 50 -2.067 -4.119 7.105 1.00 0.00 C ATOM 773 C TYR A 50 -0.603 -4.056 7.493 1.00 0.00 C ATOM 774 O TYR A 50 -0.128 -4.831 8.323 1.00 0.00 O ATOM 775 CB TYR A 50 -2.196 -4.603 5.670 1.00 0.00 C ATOM 776 CG TYR A 50 -2.105 -6.104 5.523 1.00 0.00 C ATOM 777 CD1 TYR A 50 -3.235 -6.905 5.636 1.00 0.00 C ATOM 778 CD2 TYR A 50 -0.887 -6.720 5.269 1.00 0.00 C ATOM 779 CE1 TYR A 50 -3.152 -8.278 5.500 1.00 0.00 C ATOM 780 CE2 TYR A 50 -0.795 -8.091 5.132 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.930 -8.866 5.248 1.00 0.00 C ATOM 782 OH TYR A 50 -1.843 -10.232 5.113 1.00 0.00 O ATOM 0 H TYR A 50 -2.963 -2.375 6.378 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.577 -4.820 7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.150 -4.265 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.414 -4.140 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.193 -6.447 5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.004 -6.117 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.039 -8.887 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.161 -8.554 4.935 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.685 -10.579 4.751 1.00 0.00 H new ATOM 792 N ILE A 51 0.101 -3.120 6.884 1.00 0.00 N ATOM 793 CA ILE A 51 1.514 -2.932 7.153 1.00 0.00 C ATOM 794 C ILE A 51 1.734 -2.481 8.589 1.00 0.00 C ATOM 795 O ILE A 51 2.730 -2.834 9.220 1.00 0.00 O ATOM 796 CB ILE A 51 2.156 -1.909 6.193 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.132 -0.875 5.713 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.787 -2.622 5.007 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.743 0.468 5.377 1.00 0.00 C ATOM 0 H ILE A 51 -0.286 -2.474 6.196 1.00 0.00 H new ATOM 0 HA ILE A 51 1.995 -3.897 6.994 1.00 0.00 H new ATOM 0 HB ILE A 51 2.934 -1.378 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.621 -1.263 4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.376 -0.738 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.236 -1.888 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.556 -3.308 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.022 -3.182 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.961 1.151 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.230 0.878 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.479 0.344 4.582 1.00 0.00 H new ATOM 811 N LYS A 52 0.789 -1.707 9.098 1.00 0.00 N ATOM 812 CA LYS A 52 0.861 -1.208 10.461 1.00 0.00 C ATOM 813 C LYS A 52 0.485 -2.300 11.457 1.00 0.00 C ATOM 814 O LYS A 52 0.918 -2.281 12.609 1.00 0.00 O ATOM 815 CB LYS A 52 -0.057 0.003 10.638 1.00 0.00 C ATOM 816 CG LYS A 52 0.382 0.942 11.749 1.00 0.00 C ATOM 817 CD LYS A 52 0.198 0.311 13.119 1.00 0.00 C ATOM 818 CE LYS A 52 -0.136 1.354 14.173 1.00 0.00 C ATOM 819 NZ LYS A 52 1.029 2.231 14.474 1.00 0.00 N ATOM 0 H LYS A 52 -0.041 -1.410 8.584 1.00 0.00 H new ATOM 0 HA LYS A 52 1.889 -0.901 10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.098 0.557 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.068 -0.346 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.429 1.209 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.193 1.867 11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.599 -0.431 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.109 -0.216 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.971 1.964 13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.461 0.856 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.691 3.144 14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.632 1.775 15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.579 2.387 13.606 1.00 0.00 H new ATOM 833 N LEU A 53 -0.324 -3.249 11.002 1.00 0.00 N ATOM 834 CA LEU A 53 -0.762 -4.349 11.846 1.00 0.00 C ATOM 835 C LEU A 53 0.277 -5.465 11.880 1.00 0.00 C ATOM 836 O LEU A 53 0.348 -6.232 12.840 1.00 0.00 O ATOM 837 CB LEU A 53 -2.102 -4.898 11.353 1.00 0.00 C ATOM 838 CG LEU A 53 -2.643 -6.091 12.142 1.00 0.00 C ATOM 839 CD1 LEU A 53 -4.164 -6.094 12.129 1.00 0.00 C ATOM 840 CD2 LEU A 53 -2.101 -7.394 11.574 1.00 0.00 C ATOM 0 H LEU A 53 -0.690 -3.277 10.050 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.884 -3.965 12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.840 -4.096 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.995 -5.191 10.309 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.309 -6.001 13.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.531 -6.950 12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.534 -5.174 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.519 -6.160 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.496 -8.233 12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.405 -7.491 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.013 -7.393 11.635 1.00 0.00 H new ATOM 852 N ARG A 54 1.078 -5.551 10.825 1.00 0.00 N ATOM 853 CA ARG A 54 2.111 -6.574 10.732 1.00 0.00 C ATOM 854 C ARG A 54 3.221 -6.322 11.739 1.00 0.00 C ATOM 855 O ARG A 54 3.503 -7.158 12.599 1.00 0.00 O ATOM 856 CB ARG A 54 2.689 -6.618 9.316 1.00 0.00 C ATOM 857 CG ARG A 54 3.570 -7.829 9.056 1.00 0.00 C ATOM 858 CD ARG A 54 2.786 -8.959 8.409 1.00 0.00 C ATOM 859 NE ARG A 54 3.618 -10.136 8.170 1.00 0.00 N ATOM 860 CZ ARG A 54 4.467 -10.250 7.152 1.00 0.00 C ATOM 861 NH1 ARG A 54 4.598 -9.262 6.275 1.00 0.00 N ATOM 862 NH2 ARG A 54 5.187 -11.354 7.009 1.00 0.00 N ATOM 0 H ARG A 54 1.032 -4.924 10.022 1.00 0.00 H new ATOM 0 HA ARG A 54 1.653 -7.537 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.869 -6.615 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.270 -5.712 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.400 -7.544 8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.001 -8.175 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.948 -9.232 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.366 -8.614 7.464 1.00 0.00 H new ATOM 0 HE ARG A 54 3.544 -10.917 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.046 -8.410 6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.250 -9.354 5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.090 -12.116 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.838 -11.441 6.228 1.00 0.00 H new ATOM 876 N THR A 55 3.844 -5.165 11.621 1.00 0.00 N ATOM 877 CA THR A 55 4.929 -4.778 12.509 1.00 0.00 C ATOM 878 C THR A 55 4.397 -4.324 13.866 1.00 0.00 C ATOM 879 O THR A 55 5.126 -4.316 14.858 1.00 0.00 O ATOM 880 CB THR A 55 5.765 -3.665 11.874 1.00 0.00 C ATOM 881 OG1 THR A 55 5.029 -3.000 10.862 1.00 0.00 O ATOM 882 CG2 THR A 55 7.051 -4.163 11.252 1.00 0.00 C ATOM 0 H THR A 55 3.616 -4.469 10.912 1.00 0.00 H new ATOM 0 HA THR A 55 5.561 -5.652 12.666 1.00 0.00 H new ATOM 0 HB THR A 55 6.013 -2.989 12.692 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.039 -2.035 11.031 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.595 -3.323 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.665 -4.638 12.017 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.821 -4.887 10.470 1.00 0.00 H new ATOM 890 N GLY A 56 3.124 -3.946 13.903 1.00 0.00 N ATOM 891 CA GLY A 56 2.518 -3.497 15.138 1.00 0.00 C ATOM 892 C GLY A 56 2.903 -2.074 15.505 1.00 0.00 C ATOM 893 O GLY A 56 2.477 -1.559 16.539 1.00 0.00 O ATOM 0 H GLY A 56 2.501 -3.943 13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.434 -3.563 15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.813 -4.167 15.946 1.00 0.00 H new ATOM 897 N LYS A 57 3.708 -1.434 14.659 1.00 0.00 N ATOM 898 CA LYS A 57 4.143 -0.069 14.905 1.00 0.00 C ATOM 899 C LYS A 57 4.784 0.529 13.656 1.00 0.00 C ATOM 900 O LYS A 57 5.999 0.455 13.472 1.00 0.00 O ATOM 901 CB LYS A 57 5.127 -0.032 16.067 1.00 0.00 C ATOM 902 CG LYS A 57 4.823 1.051 17.090 1.00 0.00 C ATOM 903 CD LYS A 57 5.183 0.604 18.497 1.00 0.00 C ATOM 904 CE LYS A 57 3.988 -0.008 19.210 1.00 0.00 C ATOM 905 NZ LYS A 57 3.927 -1.484 19.022 1.00 0.00 N ATOM 0 H LYS A 57 4.070 -1.843 13.798 1.00 0.00 H new ATOM 0 HA LYS A 57 3.268 0.528 15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.124 -1.001 16.565 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.133 0.122 15.676 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.379 1.955 16.841 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.764 1.306 17.048 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.993 -0.124 18.453 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.551 1.457 19.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.044 0.221 20.274 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.070 0.444 18.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.420 -1.915 19.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.426 -1.701 18.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.892 -1.868 18.977 1.00 0.00 H new ATOM 919 N THR A 58 3.958 1.124 12.801 1.00 0.00 N ATOM 920 CA THR A 58 4.441 1.736 11.574 1.00 0.00 C ATOM 921 C THR A 58 3.584 2.935 11.185 1.00 0.00 C ATOM 922 O THR A 58 2.501 3.143 11.732 1.00 0.00 O ATOM 923 CB THR A 58 4.463 0.717 10.436 1.00 0.00 C ATOM 924 OG1 THR A 58 4.178 -0.585 10.916 1.00 0.00 O ATOM 925 CG2 THR A 58 5.790 0.659 9.710 1.00 0.00 C ATOM 0 H THR A 58 2.950 1.194 12.938 1.00 0.00 H new ATOM 0 HA THR A 58 5.458 2.084 11.754 1.00 0.00 H new ATOM 0 HB THR A 58 3.698 1.053 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.800 -1.125 10.191 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.737 -0.084 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.013 1.636 9.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.577 0.384 10.412 1.00 0.00 H new ATOM 933 N ARG A 59 4.071 3.711 10.223 1.00 0.00 N ATOM 934 CA ARG A 59 3.355 4.875 9.740 1.00 0.00 C ATOM 935 C ARG A 59 3.798 5.201 8.321 1.00 0.00 C ATOM 936 O ARG A 59 4.425 6.230 8.070 1.00 0.00 O ATOM 937 CB ARG A 59 3.594 6.074 10.660 1.00 0.00 C ATOM 938 CG ARG A 59 2.501 6.270 11.699 1.00 0.00 C ATOM 939 CD ARG A 59 1.484 7.306 11.248 1.00 0.00 C ATOM 940 NE ARG A 59 2.009 8.666 11.347 1.00 0.00 N ATOM 941 CZ ARG A 59 1.337 9.750 10.964 1.00 0.00 C ATOM 942 NH1 ARG A 59 0.115 9.637 10.458 1.00 0.00 N ATOM 943 NH2 ARG A 59 1.887 10.950 11.088 1.00 0.00 N ATOM 0 H ARG A 59 4.966 3.549 9.762 1.00 0.00 H new ATOM 0 HA ARG A 59 2.288 4.654 9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.549 5.946 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.674 6.976 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.998 5.321 11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.947 6.583 12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.193 7.104 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.584 7.219 11.856 1.00 0.00 H new ATOM 0 HE ARG A 59 2.945 8.792 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.314 8.717 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.395 10.471 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.825 11.043 11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.372 11.780 10.794 1.00 0.00 H new ATOM 957 N THR A 60 3.466 4.309 7.399 1.00 0.00 N ATOM 958 CA THR A 60 3.823 4.480 6.003 1.00 0.00 C ATOM 959 C THR A 60 2.601 4.325 5.102 1.00 0.00 C ATOM 960 O THR A 60 2.284 3.223 4.654 1.00 0.00 O ATOM 961 CB THR A 60 4.904 3.473 5.602 1.00 0.00 C ATOM 962 OG1 THR A 60 5.109 2.517 6.627 1.00 0.00 O ATOM 963 CG2 THR A 60 6.240 4.119 5.303 1.00 0.00 C ATOM 0 H THR A 60 2.946 3.454 7.597 1.00 0.00 H new ATOM 0 HA THR A 60 4.215 5.489 5.877 1.00 0.00 H new ATOM 0 HB THR A 60 4.533 3.000 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.802 1.883 6.349 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.962 3.351 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.127 4.825 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.595 4.647 6.188 1.00 0.00 H new ATOM 971 N ARG A 61 1.920 5.436 4.838 1.00 0.00 N ATOM 972 CA ARG A 61 0.740 5.425 3.991 1.00 0.00 C ATOM 973 C ARG A 61 1.023 6.108 2.662 1.00 0.00 C ATOM 974 O ARG A 61 0.497 5.714 1.621 1.00 0.00 O ATOM 975 CB ARG A 61 -0.433 6.108 4.697 1.00 0.00 C ATOM 976 CG ARG A 61 -1.712 6.128 3.875 1.00 0.00 C ATOM 977 CD ARG A 61 -1.977 7.505 3.287 1.00 0.00 C ATOM 978 NE ARG A 61 -2.029 8.539 4.318 1.00 0.00 N ATOM 979 CZ ARG A 61 -3.068 8.726 5.129 1.00 0.00 C ATOM 980 NH1 ARG A 61 -4.141 7.951 5.033 1.00 0.00 N ATOM 981 NH2 ARG A 61 -3.033 9.689 6.039 1.00 0.00 N ATOM 0 H ARG A 61 2.169 6.356 5.201 1.00 0.00 H new ATOM 0 HA ARG A 61 0.473 4.386 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.626 5.597 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.152 7.133 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.640 5.396 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.553 5.831 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.195 7.749 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.920 7.490 2.740 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.222 9.154 4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.172 7.208 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.934 8.099 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.210 10.287 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.829 9.833 6.661 1.00 0.00 H new ATOM 995 N LYS A 62 1.865 7.128 2.708 1.00 0.00 N ATOM 996 CA LYS A 62 2.235 7.868 1.513 1.00 0.00 C ATOM 997 C LYS A 62 3.114 7.017 0.607 1.00 0.00 C ATOM 998 O LYS A 62 3.121 7.187 -0.612 1.00 0.00 O ATOM 999 CB LYS A 62 2.954 9.161 1.888 1.00 0.00 C ATOM 1000 CG LYS A 62 2.265 10.413 1.369 1.00 0.00 C ATOM 1001 CD LYS A 62 1.946 11.385 2.495 1.00 0.00 C ATOM 1002 CE LYS A 62 3.109 12.325 2.765 1.00 0.00 C ATOM 1003 NZ LYS A 62 3.094 13.503 1.854 1.00 0.00 N ATOM 0 H LYS A 62 2.307 7.463 3.564 1.00 0.00 H new ATOM 0 HA LYS A 62 1.324 8.121 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.031 9.222 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.971 9.128 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.905 10.903 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.344 10.136 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.060 11.965 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.709 10.828 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.068 12.666 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.048 11.785 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.903 14.120 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.159 13.180 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.209 14.033 1.987 1.00 0.00 H new ATOM 1017 N GLN A 63 3.849 6.095 1.215 1.00 0.00 N ATOM 1018 CA GLN A 63 4.728 5.207 0.474 1.00 0.00 C ATOM 1019 C GLN A 63 3.920 4.187 -0.318 1.00 0.00 C ATOM 1020 O GLN A 63 4.367 3.690 -1.352 1.00 0.00 O ATOM 1021 CB GLN A 63 5.692 4.498 1.422 1.00 0.00 C ATOM 1022 CG GLN A 63 7.153 4.827 1.162 1.00 0.00 C ATOM 1023 CD GLN A 63 7.875 3.724 0.415 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.260 2.948 -0.317 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.189 3.648 0.596 1.00 0.00 N ATOM 0 H GLN A 63 3.852 5.944 2.224 1.00 0.00 H new ATOM 0 HA GLN A 63 5.307 5.807 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.444 4.769 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.549 3.421 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.217 5.751 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.656 5.007 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.658 4.312 1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.729 2.926 0.119 1.00 0.00 H new ATOM 1034 N VAL A 64 2.726 3.881 0.175 1.00 0.00 N ATOM 1035 CA VAL A 64 1.851 2.923 -0.485 1.00 0.00 C ATOM 1036 C VAL A 64 1.267 3.505 -1.763 1.00 0.00 C ATOM 1037 O VAL A 64 0.950 2.775 -2.700 1.00 0.00 O ATOM 1038 CB VAL A 64 0.700 2.472 0.433 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -0.084 1.339 -0.211 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.230 2.053 1.795 1.00 0.00 C ATOM 0 H VAL A 64 2.342 4.283 1.030 1.00 0.00 H new ATOM 0 HA VAL A 64 2.466 2.056 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 64 0.026 3.317 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.893 1.034 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.501 1.678 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.579 0.492 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.400 1.738 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.929 1.225 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.742 2.895 2.261 1.00 0.00 H new ATOM 1050 N SER A 65 1.142 4.823 -1.800 1.00 0.00 N ATOM 1051 CA SER A 65 0.611 5.500 -2.970 1.00 0.00 C ATOM 1052 C SER A 65 1.718 5.704 -3.985 1.00 0.00 C ATOM 1053 O SER A 65 1.504 5.620 -5.194 1.00 0.00 O ATOM 1054 CB SER A 65 -0.011 6.844 -2.584 1.00 0.00 C ATOM 1055 OG SER A 65 0.980 7.849 -2.461 1.00 0.00 O ATOM 0 H SER A 65 1.401 5.443 -1.033 1.00 0.00 H new ATOM 0 HA SER A 65 -0.171 4.880 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.741 7.140 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.549 6.742 -1.641 1.00 0.00 H new ATOM 0 HG SER A 65 1.664 7.557 -1.823 1.00 0.00 H new ATOM 1061 N SER A 66 2.908 5.952 -3.468 1.00 0.00 N ATOM 1062 CA SER A 66 4.081 6.150 -4.293 1.00 0.00 C ATOM 1063 C SER A 66 4.519 4.831 -4.907 1.00 0.00 C ATOM 1064 O SER A 66 5.036 4.788 -6.024 1.00 0.00 O ATOM 1065 CB SER A 66 5.206 6.736 -3.453 1.00 0.00 C ATOM 1066 OG SER A 66 5.843 7.810 -4.122 1.00 0.00 O ATOM 0 H SER A 66 3.086 6.021 -2.466 1.00 0.00 H new ATOM 0 HA SER A 66 3.837 6.844 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.808 7.084 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.937 5.960 -3.229 1.00 0.00 H new ATOM 0 HG SER A 66 6.560 8.168 -3.558 1.00 0.00 H new ATOM 1072 N HIS A 67 4.303 3.757 -4.162 1.00 0.00 N ATOM 1073 CA HIS A 67 4.668 2.424 -4.615 1.00 0.00 C ATOM 1074 C HIS A 67 3.784 1.980 -5.772 1.00 0.00 C ATOM 1075 O HIS A 67 4.219 1.232 -6.648 1.00 0.00 O ATOM 1076 CB HIS A 67 4.570 1.422 -3.464 1.00 0.00 C ATOM 1077 CG HIS A 67 5.368 0.176 -3.688 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.321 -0.278 -2.801 1.00 0.00 N ATOM 1079 CD2 HIS A 67 5.351 -0.715 -4.708 1.00 0.00 C ATOM 1080 CE1 HIS A 67 6.857 -1.393 -3.266 1.00 0.00 C ATOM 1081 NE2 HIS A 67 6.285 -1.679 -4.421 1.00 0.00 N ATOM 0 H HIS A 67 3.875 3.784 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 67 5.700 2.459 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.909 1.901 -2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.524 1.153 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.720 -0.675 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.631 -1.971 -2.783 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.502 -2.486 -5.006 1.00 0.00 H new ATOM 1090 N ILE A 68 2.543 2.445 -5.771 1.00 0.00 N ATOM 1091 CA ILE A 68 1.600 2.096 -6.823 1.00 0.00 C ATOM 1092 C ILE A 68 1.938 2.815 -8.123 1.00 0.00 C ATOM 1093 O ILE A 68 1.632 2.330 -9.212 1.00 0.00 O ATOM 1094 CB ILE A 68 0.148 2.425 -6.419 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.219 1.700 -5.124 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.818 2.042 -7.531 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.250 2.433 -4.294 1.00 0.00 C ATOM 0 H ILE A 68 2.166 3.065 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 68 1.683 1.020 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 68 0.072 3.500 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.599 0.708 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.682 1.559 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.837 2.282 -7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.569 2.597 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.741 0.973 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.463 1.862 -3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.865 3.415 -4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.166 2.551 -4.873 1.00 0.00 H new ATOM 1109 N GLN A 69 2.573 3.973 -8.000 1.00 0.00 N ATOM 1110 CA GLN A 69 2.956 4.759 -9.163 1.00 0.00 C ATOM 1111 C GLN A 69 4.175 4.157 -9.845 1.00 0.00 C ATOM 1112 O GLN A 69 4.333 4.254 -11.062 1.00 0.00 O ATOM 1113 CB GLN A 69 3.237 6.207 -8.761 1.00 0.00 C ATOM 1114 CG GLN A 69 2.080 6.871 -8.031 1.00 0.00 C ATOM 1115 CD GLN A 69 1.954 8.346 -8.358 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.491 8.820 -9.359 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.242 9.080 -7.511 1.00 0.00 N ATOM 0 H GLN A 69 2.833 4.388 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 69 2.126 4.746 -9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.121 6.233 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.471 6.785 -9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.151 6.364 -8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.217 6.751 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.814 8.645 -6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.123 10.079 -7.678 1.00 0.00 H new ATOM 1126 N VAL A 70 5.030 3.526 -9.053 1.00 0.00 N ATOM 1127 CA VAL A 70 6.232 2.897 -9.577 1.00 0.00 C ATOM 1128 C VAL A 70 5.890 1.604 -10.300 1.00 0.00 C ATOM 1129 O VAL A 70 6.577 1.201 -11.238 1.00 0.00 O ATOM 1130 CB VAL A 70 7.259 2.599 -8.475 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.660 2.516 -9.060 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.197 3.643 -7.368 1.00 0.00 C ATOM 0 H VAL A 70 4.913 3.436 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 70 6.676 3.607 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 70 7.011 1.633 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.374 2.304 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.697 1.719 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.914 3.465 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.935 3.406 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.410 4.628 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.201 3.644 -6.924 1.00 0.00 H new ATOM 1142 N LEU A 71 4.816 0.963 -9.859 1.00 0.00 N ATOM 1143 CA LEU A 71 4.366 -0.280 -10.463 1.00 0.00 C ATOM 1144 C LEU A 71 3.753 -0.020 -11.833 1.00 0.00 C ATOM 1145 O LEU A 71 3.765 -0.887 -12.707 1.00 0.00 O ATOM 1146 CB LEU A 71 3.357 -0.979 -9.554 1.00 0.00 C ATOM 1147 CG LEU A 71 3.788 -2.357 -9.048 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.598 -2.225 -7.768 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.573 -3.244 -8.823 1.00 0.00 C ATOM 0 H LEU A 71 4.240 1.286 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 71 5.230 -0.932 -10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.160 -0.338 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.416 -1.085 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 71 4.418 -2.822 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.896 -3.215 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.487 -1.625 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.992 -1.741 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.897 -4.221 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.918 -2.784 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.032 -3.364 -9.761 1.00 0.00 H new ATOM 1161 N ALA A 72 3.220 1.183 -12.013 1.00 0.00 N ATOM 1162 CA ALA A 72 2.605 1.565 -13.274 1.00 0.00 C ATOM 1163 C ALA A 72 3.657 1.778 -14.353 1.00 0.00 C ATOM 1164 O ALA A 72 3.400 1.567 -15.538 1.00 0.00 O ATOM 1165 CB ALA A 72 1.762 2.819 -13.095 1.00 0.00 C ATOM 0 H ALA A 72 3.203 1.911 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 72 1.955 0.751 -13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.309 3.092 -14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.978 2.629 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.394 3.636 -12.747 1.00 0.00 H new ATOM 1171 N ARG A 73 4.842 2.197 -13.932 1.00 0.00 N ATOM 1172 CA ARG A 73 5.939 2.438 -14.858 1.00 0.00 C ATOM 1173 C ARG A 73 6.533 1.125 -15.346 1.00 0.00 C ATOM 1174 O ARG A 73 7.010 1.026 -16.477 1.00 0.00 O ATOM 1175 CB ARG A 73 7.022 3.291 -14.194 1.00 0.00 C ATOM 1176 CG ARG A 73 6.557 4.692 -13.834 1.00 0.00 C ATOM 1177 CD ARG A 73 7.405 5.292 -12.724 1.00 0.00 C ATOM 1178 NE ARG A 73 8.784 5.519 -13.150 1.00 0.00 N ATOM 1179 CZ ARG A 73 9.169 6.552 -13.896 1.00 0.00 C ATOM 1180 NH1 ARG A 73 8.284 7.455 -14.300 1.00 0.00 N ATOM 1181 NH2 ARG A 73 10.443 6.683 -14.239 1.00 0.00 N ATOM 0 H ARG A 73 5.068 2.377 -12.954 1.00 0.00 H new ATOM 0 HA ARG A 73 5.544 2.979 -15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.366 2.788 -13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.878 3.362 -14.864 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.605 5.331 -14.716 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.514 4.661 -13.520 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.965 6.236 -12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.397 4.626 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 73 9.493 4.846 -12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.303 7.360 -14.039 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.585 8.244 -14.871 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.128 5.992 -13.931 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.738 7.474 -14.811 1.00 0.00 H new ATOM 1195 N ARG A 74 6.494 0.119 -14.486 1.00 0.00 N ATOM 1196 CA ARG A 74 7.021 -1.195 -14.820 1.00 0.00 C ATOM 1197 C ARG A 74 6.084 -1.925 -15.773 1.00 0.00 C ATOM 1198 O ARG A 74 6.513 -2.771 -16.559 1.00 0.00 O ATOM 1199 CB ARG A 74 7.230 -2.024 -13.551 1.00 0.00 C ATOM 1200 CG ARG A 74 8.336 -1.495 -12.654 1.00 0.00 C ATOM 1201 CD ARG A 74 8.135 -1.924 -11.209 1.00 0.00 C ATOM 1202 NE ARG A 74 9.340 -1.729 -10.407 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.500 -2.216 -9.179 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.535 -2.927 -8.609 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.628 -1.991 -8.518 1.00 0.00 N ATOM 0 H ARG A 74 6.101 0.188 -13.547 1.00 0.00 H new ATOM 0 HA ARG A 74 7.983 -1.060 -15.315 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.298 -2.051 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.462 -3.051 -13.832 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.300 -1.857 -13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.363 -0.407 -12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.314 -1.355 -10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.846 -2.975 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 74 10.104 -1.188 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.665 -3.102 -9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.663 -3.298 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.373 -1.445 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.751 -2.364 -7.577 1.00 0.00 H new ATOM 1219 N LYS A 75 4.803 -1.590 -15.697 1.00 0.00 N ATOM 1220 CA LYS A 75 3.797 -2.205 -16.548 1.00 0.00 C ATOM 1221 C LYS A 75 3.825 -1.610 -17.952 1.00 0.00 C ATOM 1222 O LYS A 75 3.379 -2.238 -18.912 1.00 0.00 O ATOM 1223 CB LYS A 75 2.406 -2.035 -15.936 1.00 0.00 C ATOM 1224 CG LYS A 75 1.506 -3.246 -16.124 1.00 0.00 C ATOM 1225 CD LYS A 75 0.703 -3.148 -17.411 1.00 0.00 C ATOM 1226 CE LYS A 75 -0.587 -2.369 -17.206 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.476 -0.969 -17.699 1.00 0.00 N ATOM 0 H LYS A 75 4.436 -0.892 -15.050 1.00 0.00 H new ATOM 0 HA LYS A 75 4.026 -3.268 -16.623 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.510 -1.832 -14.870 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.926 -1.164 -16.382 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.112 -4.152 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.827 -3.331 -15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.304 -2.662 -18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.471 -4.149 -17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.402 -2.873 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.842 -2.361 -16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.427 -0.587 -17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.004 -0.386 -16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.072 -0.955 -18.583 1.00 0.00 H new ATOM 1241 N SER A 76 4.352 -0.396 -18.065 1.00 0.00 N ATOM 1242 CA SER A 76 4.436 0.283 -19.354 1.00 0.00 C ATOM 1243 C SER A 76 5.291 -0.509 -20.339 1.00 0.00 C ATOM 1244 O SER A 76 5.197 -0.313 -21.551 1.00 0.00 O ATOM 1245 CB SER A 76 5.008 1.690 -19.179 1.00 0.00 C ATOM 1246 OG SER A 76 3.981 2.628 -18.906 1.00 0.00 O ATOM 0 H SER A 76 4.727 0.138 -17.281 1.00 0.00 H new ATOM 0 HA SER A 76 3.427 0.357 -19.759 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.733 1.693 -18.365 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.542 1.984 -20.083 1.00 0.00 H new ATOM 0 HG SER A 76 4.373 3.520 -18.797 1.00 0.00 H new ATOM 1252 N ARG A 77 6.119 -1.405 -19.815 1.00 0.00 N ATOM 1253 CA ARG A 77 6.982 -2.227 -20.653 1.00 0.00 C ATOM 1254 C ARG A 77 6.160 -3.139 -21.562 1.00 0.00 C ATOM 1255 O ARG A 77 6.682 -3.699 -22.527 1.00 0.00 O ATOM 1256 CB ARG A 77 7.920 -3.067 -19.784 1.00 0.00 C ATOM 1257 CG ARG A 77 8.756 -2.242 -18.819 1.00 0.00 C ATOM 1258 CD ARG A 77 10.117 -2.876 -18.579 1.00 0.00 C ATOM 1259 NE ARG A 77 10.764 -2.346 -17.381 1.00 0.00 N ATOM 1260 CZ ARG A 77 12.066 -2.460 -17.130 1.00 0.00 C ATOM 1261 NH1 ARG A 77 12.863 -3.083 -17.989 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.573 -1.950 -16.016 1.00 0.00 N ATOM 0 H ARG A 77 6.211 -1.580 -18.814 1.00 0.00 H new ATOM 0 HA ARG A 77 7.574 -1.561 -21.280 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.329 -3.786 -19.217 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.585 -3.640 -20.430 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.887 -1.236 -19.218 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.227 -2.143 -17.871 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.002 -3.956 -18.481 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.756 -2.700 -19.444 1.00 0.00 H new ATOM 0 HE ARG A 77 10.184 -1.860 -16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.479 -3.478 -18.847 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.860 -3.167 -17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.965 -1.471 -15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.571 -2.037 -15.823 1.00 0.00 H new ATOM 1276 N ASP A 78 4.873 -3.287 -21.251 1.00 0.00 N ATOM 1277 CA ASP A 78 3.990 -4.133 -22.044 1.00 0.00 C ATOM 1278 C ASP A 78 3.837 -3.597 -23.465 1.00 0.00 C ATOM 1279 O ASP A 78 3.458 -4.331 -24.378 1.00 0.00 O ATOM 1280 CB ASP A 78 2.621 -4.244 -21.375 1.00 0.00 C ATOM 1281 CG ASP A 78 2.286 -5.667 -20.972 1.00 0.00 C ATOM 1282 OD1 ASP A 78 2.833 -6.140 -19.953 1.00 0.00 O ATOM 1283 OD2 ASP A 78 1.478 -6.308 -21.676 1.00 0.00 O ATOM 0 H ASP A 78 4.422 -2.832 -20.457 1.00 0.00 H new ATOM 0 HA ASP A 78 4.440 -5.124 -22.103 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.599 -3.605 -20.492 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.856 -3.873 -22.057 1.00 0.00 H new