USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.81 K(o=-1.8,f=-14!) USER MOD Single : A 16 GLN : amide:sc=-0.00218 X(o=-0.0022,f=-0.0022) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.604) USER MOD Single : A 27 GLN : amide:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.145 K(o=0.14,f=-1.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.9!) USER MOD Single : A 41 TYR OH : rot 165:sc= -0.132 USER MOD Single : A 42 GLN : amide:sc= -3.23! C(o=-3.2!,f=-1.9!) USER MOD Single : A 43 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.72 X(o=-2.7,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.7!) USER MOD Single : A 64 SER OG : rot 83:sc= 0.12 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.505 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.165 (180deg=-1.09) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -119:sc= -0.276 (180deg=-1.57!) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.844 20.346 6.124 1.00 0.00 N ATOM 120 CA SER A 12 -7.202 19.856 4.798 1.00 0.00 C ATOM 121 C SER A 12 -7.667 18.404 4.863 1.00 0.00 C ATOM 122 O SER A 12 -7.281 17.640 5.748 1.00 0.00 O ATOM 123 CB SER A 12 -6.010 19.979 3.846 1.00 0.00 C ATOM 124 OG SER A 12 -5.914 21.290 3.318 1.00 0.00 O ATOM 0 HA SER A 12 -8.023 20.466 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.091 19.728 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.115 19.262 3.032 1.00 0.00 H new ATOM 0 HG SER A 12 -5.144 21.344 2.714 1.00 0.00 H new ATOM 130 N PRO A 13 -8.518 18.013 3.902 1.00 0.00 N ATOM 131 CA PRO A 13 -9.055 16.651 3.826 1.00 0.00 C ATOM 132 C PRO A 13 -7.992 15.630 3.437 1.00 0.00 C ATOM 133 O PRO A 13 -8.024 14.485 3.887 1.00 0.00 O ATOM 134 CB PRO A 13 -10.125 16.752 2.736 1.00 0.00 C ATOM 135 CG PRO A 13 -9.694 17.898 1.887 1.00 0.00 C ATOM 136 CD PRO A 13 -9.021 18.871 2.815 1.00 0.00 C ATOM 0 HA PRO A 13 -9.438 16.309 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.187 15.831 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.112 16.926 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.010 17.569 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.548 18.359 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.212 19.406 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.719 19.622 3.186 1.00 0.00 H new ATOM 144 N ASN A 14 -7.051 16.052 2.598 1.00 0.00 N ATOM 145 CA ASN A 14 -5.978 15.173 2.149 1.00 0.00 C ATOM 146 C ASN A 14 -5.146 14.682 3.329 1.00 0.00 C ATOM 147 O ASN A 14 -4.868 13.488 3.453 1.00 0.00 O ATOM 148 CB ASN A 14 -5.081 15.901 1.146 1.00 0.00 C ATOM 149 CG ASN A 14 -4.862 17.355 1.516 1.00 0.00 C ATOM 150 OD1 ASN A 14 -4.599 17.680 2.674 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.970 18.239 0.530 1.00 0.00 N ATOM 0 H ASN A 14 -7.010 16.997 2.216 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.430 14.309 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.118 15.394 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.529 15.845 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.833 19.232 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.190 17.925 -0.415 1.00 0.00 H new ATOM 158 N LEU A 15 -4.753 15.610 4.195 1.00 0.00 N ATOM 159 CA LEU A 15 -3.953 15.272 5.367 1.00 0.00 C ATOM 160 C LEU A 15 -4.745 14.398 6.334 1.00 0.00 C ATOM 161 O LEU A 15 -4.381 13.251 6.589 1.00 0.00 O ATOM 162 CB LEU A 15 -3.488 16.545 6.076 1.00 0.00 C ATOM 163 CG LEU A 15 -2.791 16.348 7.422 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.531 15.513 7.253 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.461 17.692 8.054 1.00 0.00 C ATOM 0 H LEU A 15 -4.975 16.602 4.108 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.081 14.711 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.808 17.079 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.354 17.189 6.229 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.470 15.814 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.048 15.383 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.793 14.537 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.847 16.020 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.965 17.532 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.800 18.253 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.381 18.256 8.211 1.00 0.00 H new ATOM 177 N GLN A 16 -5.831 14.950 6.867 1.00 0.00 N ATOM 178 CA GLN A 16 -6.676 14.219 7.805 1.00 0.00 C ATOM 179 C GLN A 16 -6.819 12.760 7.386 1.00 0.00 C ATOM 180 O GLN A 16 -6.669 11.851 8.203 1.00 0.00 O ATOM 181 CB GLN A 16 -8.056 14.873 7.896 1.00 0.00 C ATOM 182 CG GLN A 16 -8.920 14.317 9.017 1.00 0.00 C ATOM 183 CD GLN A 16 -8.489 14.808 10.384 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.576 15.999 10.685 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.020 13.891 11.223 1.00 0.00 N ATOM 0 H GLN A 16 -6.146 15.899 6.666 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.200 14.251 8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.931 15.946 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.576 14.739 6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.958 14.600 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.878 13.228 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.965 12.915 10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.715 14.163 12.157 1.00 0.00 H new ATOM 194 N LYS A 17 -7.109 12.541 6.108 1.00 0.00 N ATOM 195 CA LYS A 17 -7.271 11.192 5.579 1.00 0.00 C ATOM 196 C LYS A 17 -6.044 10.339 5.881 1.00 0.00 C ATOM 197 O LYS A 17 -6.162 9.158 6.207 1.00 0.00 O ATOM 198 CB LYS A 17 -7.514 11.240 4.069 1.00 0.00 C ATOM 199 CG LYS A 17 -7.651 9.868 3.432 1.00 0.00 C ATOM 200 CD LYS A 17 -8.564 9.907 2.217 1.00 0.00 C ATOM 201 CE LYS A 17 -9.091 8.522 1.872 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.321 8.188 2.642 1.00 0.00 N ATOM 0 H LYS A 17 -7.237 13.282 5.418 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.135 10.739 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.419 11.815 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.690 11.772 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.667 9.502 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.047 9.164 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.401 10.578 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.020 10.313 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.306 8.471 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.321 7.779 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.648 7.237 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.110 8.212 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.065 8.882 2.426 1.00 0.00 H new ATOM 216 N ALA A 18 -4.866 10.944 5.772 1.00 0.00 N ATOM 217 CA ALA A 18 -3.617 10.240 6.036 1.00 0.00 C ATOM 218 C ALA A 18 -3.550 9.767 7.484 1.00 0.00 C ATOM 219 O ALA A 18 -3.142 8.639 7.760 1.00 0.00 O ATOM 220 CB ALA A 18 -2.429 11.135 5.715 1.00 0.00 C ATOM 0 H ALA A 18 -4.750 11.921 5.502 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.580 9.361 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.503 10.597 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.462 11.420 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.470 12.031 6.335 1.00 0.00 H new ATOM 226 N ILE A 19 -3.951 10.637 8.405 1.00 0.00 N ATOM 227 CA ILE A 19 -3.936 10.308 9.825 1.00 0.00 C ATOM 228 C ILE A 19 -4.943 9.208 10.145 1.00 0.00 C ATOM 229 O ILE A 19 -4.582 8.156 10.672 1.00 0.00 O ATOM 230 CB ILE A 19 -4.247 11.541 10.693 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.135 12.583 10.553 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.420 11.135 12.149 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.382 13.586 9.448 1.00 0.00 C ATOM 0 H ILE A 19 -4.290 11.575 8.193 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.931 9.956 10.056 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.181 11.984 10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.026 13.115 11.498 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.191 12.072 10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.639 12.018 12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.243 10.425 12.233 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.502 10.671 12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.554 14.293 9.407 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.461 13.064 8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.309 14.124 9.646 1.00 0.00 H new ATOM 245 N ASP A 20 -6.207 9.459 9.821 1.00 0.00 N ATOM 246 CA ASP A 20 -7.267 8.489 10.070 1.00 0.00 C ATOM 247 C ASP A 20 -6.900 7.123 9.499 1.00 0.00 C ATOM 248 O ASP A 20 -6.982 6.107 10.190 1.00 0.00 O ATOM 249 CB ASP A 20 -8.584 8.973 9.461 1.00 0.00 C ATOM 250 CG ASP A 20 -9.795 8.426 10.191 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.972 8.762 11.381 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.566 7.664 9.572 1.00 0.00 O ATOM 0 H ASP A 20 -6.522 10.326 9.385 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.389 8.391 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.612 10.062 9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.629 8.673 8.414 1.00 0.00 H new ATOM 257 N LEU A 21 -6.495 7.106 8.234 1.00 0.00 N ATOM 258 CA LEU A 21 -6.116 5.865 7.568 1.00 0.00 C ATOM 259 C LEU A 21 -5.069 5.109 8.381 1.00 0.00 C ATOM 260 O LEU A 21 -5.282 3.962 8.773 1.00 0.00 O ATOM 261 CB LEU A 21 -5.577 6.158 6.167 1.00 0.00 C ATOM 262 CG LEU A 21 -6.621 6.502 5.105 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.947 6.839 3.784 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.601 5.351 4.927 1.00 0.00 C ATOM 0 H LEU A 21 -6.421 7.938 7.649 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.005 5.240 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.872 6.986 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.015 5.289 5.827 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.177 7.378 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.706 7.081 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.286 7.695 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.365 5.982 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.337 5.614 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.060 4.458 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.109 5.156 5.872 1.00 0.00 H new ATOM 276 N ALA A 22 -3.938 5.762 8.632 1.00 0.00 N ATOM 277 CA ALA A 22 -2.860 5.153 9.401 1.00 0.00 C ATOM 278 C ALA A 22 -3.387 4.535 10.692 1.00 0.00 C ATOM 279 O ALA A 22 -3.067 3.394 11.021 1.00 0.00 O ATOM 280 CB ALA A 22 -1.784 6.185 9.708 1.00 0.00 C ATOM 0 H ALA A 22 -3.745 6.712 8.314 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.423 4.355 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.985 5.717 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.379 6.577 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.217 7.001 10.286 1.00 0.00 H new ATOM 286 N SER A 23 -4.198 5.298 11.419 1.00 0.00 N ATOM 287 CA SER A 23 -4.766 4.826 12.677 1.00 0.00 C ATOM 288 C SER A 23 -5.482 3.493 12.483 1.00 0.00 C ATOM 289 O SER A 23 -5.227 2.527 13.204 1.00 0.00 O ATOM 290 CB SER A 23 -5.739 5.863 13.242 1.00 0.00 C ATOM 291 OG SER A 23 -6.107 5.544 14.572 1.00 0.00 O ATOM 0 H SER A 23 -4.476 6.244 11.159 1.00 0.00 H new ATOM 0 HA SER A 23 -3.950 4.681 13.384 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.279 6.851 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.630 5.910 12.616 1.00 0.00 H new ATOM 0 HG SER A 23 -6.728 6.222 14.911 1.00 0.00 H new ATOM 297 N LYS A 24 -6.379 3.447 11.505 1.00 0.00 N ATOM 298 CA LYS A 24 -7.133 2.233 11.213 1.00 0.00 C ATOM 299 C LYS A 24 -6.199 1.037 11.060 1.00 0.00 C ATOM 300 O LYS A 24 -6.436 -0.025 11.636 1.00 0.00 O ATOM 301 CB LYS A 24 -7.959 2.415 9.938 1.00 0.00 C ATOM 302 CG LYS A 24 -9.241 1.600 9.922 1.00 0.00 C ATOM 303 CD LYS A 24 -10.107 1.946 8.723 1.00 0.00 C ATOM 304 CE LYS A 24 -11.523 1.418 8.887 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.213 2.033 10.055 1.00 0.00 N ATOM 0 H LYS A 24 -6.602 4.237 10.900 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.805 2.042 12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.208 3.470 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.350 2.136 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.998 0.538 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.800 1.781 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.134 3.028 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.664 1.527 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.093 1.621 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.495 0.335 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.243 1.970 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.944 1.527 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.935 3.032 10.136 1.00 0.00 H new ATOM 319 N ALA A 25 -5.137 1.216 10.283 1.00 0.00 N ATOM 320 CA ALA A 25 -4.166 0.153 10.058 1.00 0.00 C ATOM 321 C ALA A 25 -3.916 -0.642 11.335 1.00 0.00 C ATOM 322 O ALA A 25 -4.193 -1.839 11.397 1.00 0.00 O ATOM 323 CB ALA A 25 -2.861 0.732 9.530 1.00 0.00 C ATOM 0 H ALA A 25 -4.927 2.088 9.798 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.576 -0.528 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.145 -0.074 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.047 1.249 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.455 1.436 10.256 1.00 0.00 H new ATOM 329 N ALA A 26 -3.390 0.033 12.352 1.00 0.00 N ATOM 330 CA ALA A 26 -3.104 -0.610 13.629 1.00 0.00 C ATOM 331 C ALA A 26 -4.309 -1.400 14.128 1.00 0.00 C ATOM 332 O ALA A 26 -4.236 -2.616 14.302 1.00 0.00 O ATOM 333 CB ALA A 26 -2.686 0.427 14.660 1.00 0.00 C ATOM 0 H ALA A 26 -3.153 1.025 12.316 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.281 -1.309 13.479 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.476 -0.067 15.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.791 0.944 14.314 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.491 1.148 14.798 1.00 0.00 H new ATOM 339 N GLN A 27 -5.416 -0.701 14.356 1.00 0.00 N ATOM 340 CA GLN A 27 -6.636 -1.338 14.836 1.00 0.00 C ATOM 341 C GLN A 27 -6.822 -2.710 14.196 1.00 0.00 C ATOM 342 O GLN A 27 -7.106 -3.691 14.882 1.00 0.00 O ATOM 343 CB GLN A 27 -7.849 -0.455 14.539 1.00 0.00 C ATOM 344 CG GLN A 27 -7.755 0.933 15.152 1.00 0.00 C ATOM 345 CD GLN A 27 -9.116 1.537 15.441 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.740 1.231 16.457 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.583 2.399 14.546 1.00 0.00 N ATOM 0 H GLN A 27 -5.493 0.306 14.216 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.547 -1.469 15.914 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.963 -0.359 13.459 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.747 -0.948 14.912 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.182 0.879 16.077 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.207 1.589 14.475 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.031 2.623 13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.493 2.837 14.686 1.00 0.00 H new ATOM 356 N GLU A 28 -6.661 -2.769 12.878 1.00 0.00 N ATOM 357 CA GLU A 28 -6.813 -4.021 12.146 1.00 0.00 C ATOM 358 C GLU A 28 -5.806 -5.060 12.630 1.00 0.00 C ATOM 359 O GLU A 28 -6.170 -6.191 12.950 1.00 0.00 O ATOM 360 CB GLU A 28 -6.637 -3.784 10.644 1.00 0.00 C ATOM 361 CG GLU A 28 -7.712 -2.897 10.038 1.00 0.00 C ATOM 362 CD GLU A 28 -9.101 -3.488 10.173 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.364 -4.536 9.547 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.926 -2.902 10.905 1.00 0.00 O ATOM 0 H GLU A 28 -6.426 -1.965 12.296 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.818 -4.401 12.331 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.662 -3.330 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.639 -4.745 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.688 -1.921 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.491 -2.735 8.983 1.00 0.00 H new ATOM 371 N ASP A 29 -4.538 -4.667 12.679 1.00 0.00 N ATOM 372 CA ASP A 29 -3.477 -5.563 13.124 1.00 0.00 C ATOM 373 C ASP A 29 -3.855 -6.245 14.435 1.00 0.00 C ATOM 374 O ASP A 29 -3.949 -7.471 14.505 1.00 0.00 O ATOM 375 CB ASP A 29 -2.167 -4.791 13.297 1.00 0.00 C ATOM 376 CG ASP A 29 -1.076 -5.636 13.923 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.470 -6.455 13.200 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.826 -5.477 15.136 1.00 0.00 O ATOM 0 H ASP A 29 -4.220 -3.734 12.416 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.341 -6.330 12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.830 -4.430 12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.345 -3.914 13.919 1.00 0.00 H new ATOM 383 N LYS A 30 -4.072 -5.444 15.472 1.00 0.00 N ATOM 384 CA LYS A 30 -4.441 -5.969 16.782 1.00 0.00 C ATOM 385 C LYS A 30 -5.598 -6.956 16.665 1.00 0.00 C ATOM 386 O LYS A 30 -5.576 -8.027 17.272 1.00 0.00 O ATOM 387 CB LYS A 30 -4.825 -4.825 17.723 1.00 0.00 C ATOM 388 CG LYS A 30 -4.528 -5.115 19.184 1.00 0.00 C ATOM 389 CD LYS A 30 -5.459 -4.344 20.105 1.00 0.00 C ATOM 390 CE LYS A 30 -4.943 -2.937 20.368 1.00 0.00 C ATOM 391 NZ LYS A 30 -4.052 -2.887 21.560 1.00 0.00 N ATOM 0 H LYS A 30 -3.999 -4.427 15.431 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.578 -6.494 17.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.290 -3.924 17.424 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.889 -4.615 17.612 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.631 -6.184 19.372 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.494 -4.851 19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.452 -4.291 19.659 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.562 -4.878 21.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.400 -2.580 19.493 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.786 -2.263 20.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.721 -1.912 21.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.578 -3.203 22.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.234 -3.511 21.408 1.00 0.00 H new ATOM 405 N ALA A 31 -6.606 -6.590 15.881 1.00 0.00 N ATOM 406 CA ALA A 31 -7.770 -7.445 15.683 1.00 0.00 C ATOM 407 C ALA A 31 -7.381 -8.750 14.997 1.00 0.00 C ATOM 408 O ALA A 31 -7.914 -9.812 15.315 1.00 0.00 O ATOM 409 CB ALA A 31 -8.829 -6.714 14.871 1.00 0.00 C ATOM 0 H ALA A 31 -6.640 -5.707 15.372 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.183 -7.689 16.662 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.693 -7.364 14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.136 -5.812 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.418 -6.441 13.899 1.00 0.00 H new ATOM 415 N GLY A 32 -6.450 -8.663 14.052 1.00 0.00 N ATOM 416 CA GLY A 32 -6.007 -9.844 13.335 1.00 0.00 C ATOM 417 C GLY A 32 -6.114 -9.684 11.832 1.00 0.00 C ATOM 418 O GLY A 32 -6.272 -10.665 11.106 1.00 0.00 O ATOM 0 H GLY A 32 -5.994 -7.795 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.972 -10.060 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.603 -10.701 13.649 1.00 0.00 H new ATOM 422 N ASN A 33 -6.031 -8.443 11.362 1.00 0.00 N ATOM 423 CA ASN A 33 -6.122 -8.158 9.935 1.00 0.00 C ATOM 424 C ASN A 33 -4.821 -7.554 9.417 1.00 0.00 C ATOM 425 O ASN A 33 -4.506 -6.397 9.698 1.00 0.00 O ATOM 426 CB ASN A 33 -7.286 -7.205 9.658 1.00 0.00 C ATOM 427 CG ASN A 33 -8.584 -7.940 9.384 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.584 -9.025 8.802 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.697 -7.351 9.804 1.00 0.00 N ATOM 0 H ASN A 33 -5.901 -7.619 11.949 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.298 -9.098 9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.421 -6.542 10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.041 -6.576 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.601 -7.798 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.649 -6.451 10.282 1.00 0.00 H new ATOM 436 N TYR A 34 -4.069 -8.344 8.659 1.00 0.00 N ATOM 437 CA TYR A 34 -2.801 -7.889 8.102 1.00 0.00 C ATOM 438 C TYR A 34 -2.985 -7.369 6.680 1.00 0.00 C ATOM 439 O TYR A 34 -2.398 -6.357 6.297 1.00 0.00 O ATOM 440 CB TYR A 34 -1.777 -9.026 8.112 1.00 0.00 C ATOM 441 CG TYR A 34 -1.178 -9.289 9.475 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.964 -9.249 10.621 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.173 -9.577 9.618 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.421 -9.487 11.868 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.725 -9.818 10.862 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.076 -9.772 11.984 1.00 0.00 C ATOM 447 OH TYR A 34 0.469 -10.011 13.224 1.00 0.00 O ATOM 0 H TYR A 34 -4.316 -9.303 8.416 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.434 -7.072 8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.255 -9.937 7.752 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.976 -8.789 7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.018 -9.028 10.534 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.803 -9.613 8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.046 -9.450 12.748 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.778 -10.041 10.955 1.00 0.00 H new ATOM 0 HH TYR A 34 1.427 -10.197 13.130 1.00 0.00 H new ATOM 457 N GLU A 35 -3.806 -8.068 5.903 1.00 0.00 N ATOM 458 CA GLU A 35 -4.069 -7.677 4.523 1.00 0.00 C ATOM 459 C GLU A 35 -4.660 -6.272 4.458 1.00 0.00 C ATOM 460 O GLU A 35 -4.306 -5.479 3.586 1.00 0.00 O ATOM 461 CB GLU A 35 -5.021 -8.674 3.859 1.00 0.00 C ATOM 462 CG GLU A 35 -5.104 -8.525 2.349 1.00 0.00 C ATOM 463 CD GLU A 35 -5.966 -9.592 1.704 1.00 0.00 C ATOM 464 OE1 GLU A 35 -5.799 -10.780 2.049 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.809 -9.238 0.853 1.00 0.00 O ATOM 0 H GLU A 35 -4.300 -8.907 6.205 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.121 -7.678 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.697 -9.687 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.017 -8.549 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.507 -7.542 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.100 -8.571 1.927 1.00 0.00 H new ATOM 472 N GLU A 36 -5.562 -5.973 5.387 1.00 0.00 N ATOM 473 CA GLU A 36 -6.204 -4.664 5.435 1.00 0.00 C ATOM 474 C GLU A 36 -5.256 -3.614 6.006 1.00 0.00 C ATOM 475 O GLU A 36 -5.131 -2.516 5.466 1.00 0.00 O ATOM 476 CB GLU A 36 -7.480 -4.727 6.277 1.00 0.00 C ATOM 477 CG GLU A 36 -8.545 -3.734 5.843 1.00 0.00 C ATOM 478 CD GLU A 36 -9.436 -4.278 4.743 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.334 -5.089 5.053 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.236 -3.891 3.573 1.00 0.00 O ATOM 0 H GLU A 36 -5.865 -6.619 6.116 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.464 -4.378 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.891 -5.735 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.226 -4.542 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.159 -3.466 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.064 -2.819 5.497 1.00 0.00 H new ATOM 487 N ALA A 37 -4.590 -3.961 7.103 1.00 0.00 N ATOM 488 CA ALA A 37 -3.653 -3.050 7.748 1.00 0.00 C ATOM 489 C ALA A 37 -2.596 -2.561 6.763 1.00 0.00 C ATOM 490 O ALA A 37 -2.242 -1.382 6.751 1.00 0.00 O ATOM 491 CB ALA A 37 -2.993 -3.728 8.940 1.00 0.00 C ATOM 0 H ALA A 37 -4.682 -4.867 7.563 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.212 -2.183 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.296 -3.036 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.757 -4.022 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.453 -4.613 8.602 1.00 0.00 H new ATOM 497 N LEU A 38 -2.096 -3.475 5.938 1.00 0.00 N ATOM 498 CA LEU A 38 -1.079 -3.137 4.949 1.00 0.00 C ATOM 499 C LEU A 38 -1.572 -2.038 4.013 1.00 0.00 C ATOM 500 O LEU A 38 -1.013 -0.942 3.980 1.00 0.00 O ATOM 501 CB LEU A 38 -0.695 -4.377 4.139 1.00 0.00 C ATOM 502 CG LEU A 38 0.161 -4.129 2.897 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.539 -3.620 3.290 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.276 -5.399 2.066 1.00 0.00 C ATOM 0 H LEU A 38 -2.378 -4.455 5.935 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.201 -2.770 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.158 -5.063 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.610 -4.882 3.830 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.326 -3.365 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.133 -3.449 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.438 -2.685 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.035 -4.360 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.889 -5.204 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.739 -6.184 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.717 -5.720 1.752 1.00 0.00 H new ATOM 516 N GLN A 39 -2.624 -2.339 3.258 1.00 0.00 N ATOM 517 CA GLN A 39 -3.193 -1.375 2.323 1.00 0.00 C ATOM 518 C GLN A 39 -3.329 -0.002 2.973 1.00 0.00 C ATOM 519 O GLN A 39 -2.938 1.012 2.394 1.00 0.00 O ATOM 520 CB GLN A 39 -4.559 -1.857 1.830 1.00 0.00 C ATOM 521 CG GLN A 39 -4.476 -2.991 0.821 1.00 0.00 C ATOM 522 CD GLN A 39 -3.974 -2.531 -0.534 1.00 0.00 C ATOM 523 OE1 GLN A 39 -2.832 -2.090 -0.669 1.00 0.00 O ATOM 524 NE2 GLN A 39 -4.827 -2.632 -1.546 1.00 0.00 N ATOM 0 H GLN A 39 -3.099 -3.241 3.275 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.517 -1.289 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.150 -2.185 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.090 -1.019 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.814 -3.767 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.462 -3.442 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.764 -3.003 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.546 -2.338 -2.481 1.00 0.00 H new ATOM 533 N LEU A 40 -3.886 0.024 4.179 1.00 0.00 N ATOM 534 CA LEU A 40 -4.074 1.273 4.908 1.00 0.00 C ATOM 535 C LEU A 40 -2.736 1.957 5.171 1.00 0.00 C ATOM 536 O LEU A 40 -2.566 3.142 4.883 1.00 0.00 O ATOM 537 CB LEU A 40 -4.795 1.010 6.232 1.00 0.00 C ATOM 538 CG LEU A 40 -6.282 0.670 6.130 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.792 0.110 7.449 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.084 1.898 5.724 1.00 0.00 C ATOM 0 H LEU A 40 -4.215 -0.806 4.672 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.685 1.935 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.289 0.190 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.687 1.892 6.863 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.409 -0.092 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.852 -0.126 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.238 -0.795 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.651 0.850 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.140 1.637 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.951 2.682 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.736 2.256 4.755 1.00 0.00 H new ATOM 552 N TYR A 41 -1.790 1.202 5.719 1.00 0.00 N ATOM 553 CA TYR A 41 -0.467 1.736 6.021 1.00 0.00 C ATOM 554 C TYR A 41 0.145 2.403 4.793 1.00 0.00 C ATOM 555 O TYR A 41 0.691 3.503 4.879 1.00 0.00 O ATOM 556 CB TYR A 41 0.453 0.621 6.521 1.00 0.00 C ATOM 557 CG TYR A 41 0.323 0.347 8.002 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.604 1.334 8.939 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.080 -0.899 8.466 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.487 1.089 10.293 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.201 -1.153 9.818 1.00 0.00 C ATOM 562 CZ TYR A 41 0.084 -0.156 10.728 1.00 0.00 C ATOM 563 OH TYR A 41 -0.035 -0.406 12.076 1.00 0.00 O ATOM 0 H TYR A 41 -1.914 0.219 5.963 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.576 2.487 6.803 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.234 -0.294 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.486 0.887 6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.920 2.310 8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.303 -1.683 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.710 1.868 11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.517 -2.127 10.161 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.549 -1.229 12.212 1.00 0.00 H new ATOM 573 N GLN A 42 0.049 1.729 3.652 1.00 0.00 N ATOM 574 CA GLN A 42 0.593 2.256 2.406 1.00 0.00 C ATOM 575 C GLN A 42 -0.105 3.553 2.013 1.00 0.00 C ATOM 576 O GLN A 42 0.544 4.533 1.644 1.00 0.00 O ATOM 577 CB GLN A 42 0.448 1.225 1.285 1.00 0.00 C ATOM 578 CG GLN A 42 1.140 -0.096 1.580 1.00 0.00 C ATOM 579 CD GLN A 42 1.609 -0.802 0.323 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.900 -0.165 -0.690 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.687 -2.127 0.382 1.00 0.00 N ATOM 0 H GLN A 42 -0.400 0.817 3.564 1.00 0.00 H new ATOM 0 HA GLN A 42 1.651 2.467 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.611 1.039 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.856 1.642 0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.995 0.084 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.456 -0.747 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.436 -2.615 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.998 -2.656 -0.433 1.00 0.00 H new ATOM 590 N HIS A 43 -1.432 3.554 2.093 1.00 0.00 N ATOM 591 CA HIS A 43 -2.219 4.732 1.746 1.00 0.00 C ATOM 592 C HIS A 43 -1.842 5.917 2.630 1.00 0.00 C ATOM 593 O HIS A 43 -1.523 6.997 2.134 1.00 0.00 O ATOM 594 CB HIS A 43 -3.712 4.432 1.884 1.00 0.00 C ATOM 595 CG HIS A 43 -4.325 3.859 0.643 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.716 4.632 -0.430 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.611 2.579 0.308 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.218 3.852 -1.371 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.166 2.602 -0.948 1.00 0.00 N ATOM 0 H HIS A 43 -1.985 2.752 2.395 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.002 4.991 0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.859 3.734 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.236 5.351 2.147 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.435 1.703 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.605 4.181 -2.324 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.486 1.786 -1.470 1.00 0.00 H new ATOM 608 N ALA A 44 -1.882 5.707 3.942 1.00 0.00 N ATOM 609 CA ALA A 44 -1.544 6.757 4.894 1.00 0.00 C ATOM 610 C ALA A 44 -0.337 7.560 4.420 1.00 0.00 C ATOM 611 O ALA A 44 -0.375 8.789 4.377 1.00 0.00 O ATOM 612 CB ALA A 44 -1.275 6.158 6.267 1.00 0.00 C ATOM 0 H ALA A 44 -2.145 4.819 4.369 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.394 7.436 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.024 6.954 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.165 5.634 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.443 5.456 6.201 1.00 0.00 H new ATOM 618 N VAL A 45 0.734 6.856 4.067 1.00 0.00 N ATOM 619 CA VAL A 45 1.953 7.504 3.596 1.00 0.00 C ATOM 620 C VAL A 45 1.702 8.273 2.304 1.00 0.00 C ATOM 621 O VAL A 45 2.107 9.427 2.169 1.00 0.00 O ATOM 622 CB VAL A 45 3.078 6.478 3.360 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.318 7.164 2.807 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.399 5.734 4.647 1.00 0.00 C ATOM 0 H VAL A 45 0.782 5.838 4.098 1.00 0.00 H new ATOM 0 HA VAL A 45 2.264 8.200 4.375 1.00 0.00 H new ATOM 0 HB VAL A 45 2.735 5.751 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.102 6.424 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.075 7.647 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.666 7.914 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.196 5.013 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.722 6.445 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.509 5.210 4.996 1.00 0.00 H new ATOM 634 N GLN A 46 1.031 7.626 1.357 1.00 0.00 N ATOM 635 CA GLN A 46 0.726 8.250 0.075 1.00 0.00 C ATOM 636 C GLN A 46 0.158 9.651 0.273 1.00 0.00 C ATOM 637 O GLN A 46 0.707 10.632 -0.229 1.00 0.00 O ATOM 638 CB GLN A 46 -0.265 7.391 -0.712 1.00 0.00 C ATOM 639 CG GLN A 46 0.379 6.207 -1.415 1.00 0.00 C ATOM 640 CD GLN A 46 0.940 6.572 -2.776 1.00 0.00 C ATOM 641 OE1 GLN A 46 1.310 7.720 -3.020 1.00 0.00 O ATOM 642 NE2 GLN A 46 1.005 5.593 -3.671 1.00 0.00 N ATOM 0 H GLN A 46 0.688 6.670 1.453 1.00 0.00 H new ATOM 0 HA GLN A 46 1.654 8.331 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.035 7.025 -0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.765 8.015 -1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.179 5.810 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.359 5.413 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.687 4.656 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.373 5.779 -4.604 1.00 0.00 H new ATOM 651 N TYR A 47 -0.946 9.738 1.007 1.00 0.00 N ATOM 652 CA TYR A 47 -1.591 11.019 1.269 1.00 0.00 C ATOM 653 C TYR A 47 -0.633 11.977 1.970 1.00 0.00 C ATOM 654 O TYR A 47 -0.470 13.125 1.555 1.00 0.00 O ATOM 655 CB TYR A 47 -2.844 10.817 2.123 1.00 0.00 C ATOM 656 CG TYR A 47 -3.995 10.189 1.370 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.094 8.810 1.237 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.984 10.976 0.792 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.143 8.232 0.550 1.00 0.00 C ATOM 660 CE2 TYR A 47 -6.038 10.406 0.104 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.113 9.034 -0.015 1.00 0.00 C ATOM 662 OH TYR A 47 -7.161 8.462 -0.700 1.00 0.00 O ATOM 0 H TYR A 47 -1.413 8.936 1.431 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.878 11.456 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.594 10.188 2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.163 11.781 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.337 8.179 1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.928 12.051 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.204 7.158 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.799 11.032 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.756 9.165 -1.034 1.00 0.00 H new ATOM 672 N PHE A 48 -0.001 11.498 3.037 1.00 0.00 N ATOM 673 CA PHE A 48 0.940 12.311 3.797 1.00 0.00 C ATOM 674 C PHE A 48 1.936 13.001 2.869 1.00 0.00 C ATOM 675 O PHE A 48 2.106 14.220 2.919 1.00 0.00 O ATOM 676 CB PHE A 48 1.689 11.446 4.813 1.00 0.00 C ATOM 677 CG PHE A 48 0.926 11.222 6.087 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.417 12.293 6.803 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.718 9.940 6.569 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.286 12.091 7.976 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.015 9.731 7.741 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.486 10.808 8.446 1.00 0.00 C ATOM 0 H PHE A 48 -0.124 10.551 3.394 1.00 0.00 H new ATOM 0 HA PHE A 48 0.374 13.076 4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.915 10.481 4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.642 11.919 5.048 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.571 13.298 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.109 9.094 6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.678 12.935 8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.142 8.726 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.033 10.647 9.363 1.00 0.00 H new ATOM 692 N LEU A 49 2.591 12.214 2.023 1.00 0.00 N ATOM 693 CA LEU A 49 3.570 12.748 1.083 1.00 0.00 C ATOM 694 C LEU A 49 2.938 13.800 0.177 1.00 0.00 C ATOM 695 O LEU A 49 3.378 14.950 0.142 1.00 0.00 O ATOM 696 CB LEU A 49 4.163 11.620 0.237 1.00 0.00 C ATOM 697 CG LEU A 49 5.194 10.731 0.933 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.548 9.538 0.057 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.442 11.531 1.276 1.00 0.00 C ATOM 0 H LEU A 49 2.462 11.204 1.969 1.00 0.00 H new ATOM 0 HA LEU A 49 4.367 13.221 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.347 10.989 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.628 12.060 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 49 4.758 10.359 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.283 8.916 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.650 8.952 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.965 9.890 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.165 10.883 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.880 11.932 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.176 12.352 1.941 1.00 0.00 H new ATOM 711 N HIS A 50 1.902 13.399 -0.554 1.00 0.00 N ATOM 712 CA HIS A 50 1.207 14.308 -1.458 1.00 0.00 C ATOM 713 C HIS A 50 1.024 15.680 -0.815 1.00 0.00 C ATOM 714 O HIS A 50 1.250 16.709 -1.451 1.00 0.00 O ATOM 715 CB HIS A 50 -0.153 13.730 -1.850 1.00 0.00 C ATOM 716 CG HIS A 50 -0.676 14.257 -3.151 1.00 0.00 C ATOM 717 ND1 HIS A 50 0.125 14.470 -4.253 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.927 14.614 -3.522 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.611 14.936 -5.246 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.861 15.032 -4.829 1.00 0.00 N ATOM 0 H HIS A 50 1.526 12.451 -0.538 1.00 0.00 H new ATOM 0 HA HIS A 50 1.816 14.425 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.073 12.645 -1.913 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.873 13.951 -1.062 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.813 14.577 -2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.252 15.195 -6.231 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.649 15.363 -5.387 1.00 0.00 H new ATOM 729 N VAL A 51 0.613 15.686 0.449 1.00 0.00 N ATOM 730 CA VAL A 51 0.400 16.930 1.178 1.00 0.00 C ATOM 731 C VAL A 51 1.701 17.713 1.320 1.00 0.00 C ATOM 732 O VAL A 51 1.825 18.829 0.814 1.00 0.00 O ATOM 733 CB VAL A 51 -0.184 16.667 2.579 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.345 17.972 3.343 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.512 15.935 2.472 1.00 0.00 C ATOM 0 H VAL A 51 0.421 14.843 0.989 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.313 17.518 0.600 1.00 0.00 H new ATOM 0 HB VAL A 51 0.510 16.034 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.759 17.767 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.627 18.453 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.019 18.632 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.911 15.757 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.217 16.541 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.362 14.981 1.966 1.00 0.00 H new ATOM 745 N VAL A 52 2.669 17.121 2.012 1.00 0.00 N ATOM 746 CA VAL A 52 3.962 17.762 2.220 1.00 0.00 C ATOM 747 C VAL A 52 4.577 18.200 0.895 1.00 0.00 C ATOM 748 O VAL A 52 5.385 19.129 0.850 1.00 0.00 O ATOM 749 CB VAL A 52 4.945 16.822 2.943 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.284 17.511 3.156 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.359 16.357 4.268 1.00 0.00 C ATOM 0 H VAL A 52 2.582 16.198 2.438 1.00 0.00 H new ATOM 0 HA VAL A 52 3.784 18.639 2.843 1.00 0.00 H new ATOM 0 HB VAL A 52 5.110 15.945 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.965 16.832 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.707 17.790 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.140 18.406 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.066 15.694 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.164 17.221 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.427 15.822 4.086 1.00 0.00 H new ATOM 761 N LYS A 53 4.190 17.526 -0.182 1.00 0.00 N ATOM 762 CA LYS A 53 4.701 17.846 -1.510 1.00 0.00 C ATOM 763 C LYS A 53 4.275 19.248 -1.934 1.00 0.00 C ATOM 764 O LYS A 53 5.114 20.113 -2.187 1.00 0.00 O ATOM 765 CB LYS A 53 4.206 16.820 -2.531 1.00 0.00 C ATOM 766 CG LYS A 53 5.166 16.598 -3.687 1.00 0.00 C ATOM 767 CD LYS A 53 5.402 17.880 -4.469 1.00 0.00 C ATOM 768 CE LYS A 53 6.563 17.734 -5.441 1.00 0.00 C ATOM 769 NZ LYS A 53 7.879 17.829 -4.751 1.00 0.00 N ATOM 0 H LYS A 53 3.524 16.754 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 53 5.790 17.813 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.035 15.870 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.245 17.148 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.116 16.223 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.765 15.833 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.498 18.145 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.606 18.697 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.490 16.774 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.497 18.509 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.644 17.725 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.960 18.755 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.953 17.074 -4.039 1.00 0.00 H new ATOM 783 N TYR A 54 2.967 19.466 -2.009 1.00 0.00 N ATOM 784 CA TYR A 54 2.429 20.762 -2.403 1.00 0.00 C ATOM 785 C TYR A 54 1.750 21.452 -1.224 1.00 0.00 C ATOM 786 O TYR A 54 1.994 22.627 -0.955 1.00 0.00 O ATOM 787 CB TYR A 54 1.434 20.597 -3.554 1.00 0.00 C ATOM 788 CG TYR A 54 1.858 19.567 -4.577 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.566 18.221 -4.397 1.00 0.00 C ATOM 790 CD2 TYR A 54 2.550 19.941 -5.722 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.951 17.276 -5.329 1.00 0.00 C ATOM 792 CE2 TYR A 54 2.937 19.003 -6.660 1.00 0.00 C ATOM 793 CZ TYR A 54 2.636 17.672 -6.459 1.00 0.00 C ATOM 794 OH TYR A 54 3.022 16.735 -7.390 1.00 0.00 O ATOM 0 H TYR A 54 2.259 18.761 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 54 3.259 21.385 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.463 20.314 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.303 21.558 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.029 17.908 -3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.789 20.982 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.717 16.233 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.472 19.311 -7.546 1.00 0.00 H new ATOM 0 HH TYR A 54 3.493 17.179 -8.126 1.00 0.00 H new ATOM 804 N GLU A 55 0.896 20.711 -0.525 1.00 0.00 N ATOM 805 CA GLU A 55 0.181 21.251 0.626 1.00 0.00 C ATOM 806 C GLU A 55 1.045 21.186 1.882 1.00 0.00 C ATOM 807 O GLU A 55 0.547 20.922 2.977 1.00 0.00 O ATOM 808 CB GLU A 55 -1.123 20.483 0.850 1.00 0.00 C ATOM 809 CG GLU A 55 -2.215 20.833 -0.148 1.00 0.00 C ATOM 810 CD GLU A 55 -2.313 22.325 -0.405 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.607 23.073 0.551 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.097 22.744 -1.561 1.00 0.00 O ATOM 0 H GLU A 55 0.682 19.736 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.052 22.296 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.919 19.414 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.485 20.685 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.021 20.318 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.173 20.468 0.224 1.00 0.00 H new ATOM 819 N ALA A 56 2.341 21.427 1.716 1.00 0.00 N ATOM 820 CA ALA A 56 3.273 21.398 2.835 1.00 0.00 C ATOM 821 C ALA A 56 3.052 22.585 3.766 1.00 0.00 C ATOM 822 O ALA A 56 2.323 23.519 3.432 1.00 0.00 O ATOM 823 CB ALA A 56 4.707 21.383 2.327 1.00 0.00 C ATOM 0 H ALA A 56 2.769 21.645 0.816 1.00 0.00 H new ATOM 0 HA ALA A 56 3.091 20.486 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.393 21.361 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.865 20.499 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.892 22.278 1.733 1.00 0.00 H new ATOM 829 N GLN A 57 3.684 22.542 4.934 1.00 0.00 N ATOM 830 CA GLN A 57 3.554 23.614 5.913 1.00 0.00 C ATOM 831 C GLN A 57 4.913 24.228 6.233 1.00 0.00 C ATOM 832 O GLN A 57 5.091 25.443 6.152 1.00 0.00 O ATOM 833 CB GLN A 57 2.904 23.088 7.194 1.00 0.00 C ATOM 834 CG GLN A 57 1.520 22.500 6.977 1.00 0.00 C ATOM 835 CD GLN A 57 1.565 21.066 6.488 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.342 20.793 5.308 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.855 20.139 7.394 1.00 0.00 N ATOM 0 H GLN A 57 4.291 21.776 5.225 1.00 0.00 H new ATOM 0 HA GLN A 57 2.919 24.388 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.549 22.326 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.835 23.901 7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.960 22.544 7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.980 23.110 6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.033 20.409 8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.900 19.157 7.122 1.00 0.00 H new ATOM 846 N GLY A 58 5.869 23.379 6.596 1.00 0.00 N ATOM 847 CA GLY A 58 7.200 23.856 6.923 1.00 0.00 C ATOM 848 C GLY A 58 8.134 22.735 7.334 1.00 0.00 C ATOM 849 O GLY A 58 7.794 21.558 7.210 1.00 0.00 O ATOM 0 H GLY A 58 5.746 22.369 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.618 24.375 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.133 24.584 7.732 1.00 0.00 H new ATOM 853 N ASP A 59 9.314 23.100 7.823 1.00 0.00 N ATOM 854 CA ASP A 59 10.301 22.116 8.253 1.00 0.00 C ATOM 855 C ASP A 59 9.820 21.371 9.494 1.00 0.00 C ATOM 856 O ASP A 59 9.925 20.147 9.577 1.00 0.00 O ATOM 857 CB ASP A 59 11.640 22.796 8.538 1.00 0.00 C ATOM 858 CG ASP A 59 12.771 21.800 8.707 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.726 20.735 8.056 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.700 22.085 9.492 1.00 0.00 O ATOM 0 H ASP A 59 9.610 24.070 7.932 1.00 0.00 H new ATOM 0 HA ASP A 59 10.434 21.395 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.879 23.478 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.553 23.399 9.442 1.00 0.00 H new ATOM 865 N LYS A 60 9.292 22.117 10.458 1.00 0.00 N ATOM 866 CA LYS A 60 8.794 21.529 11.696 1.00 0.00 C ATOM 867 C LYS A 60 7.734 20.471 11.408 1.00 0.00 C ATOM 868 O LYS A 60 7.748 19.389 11.995 1.00 0.00 O ATOM 869 CB LYS A 60 8.212 22.616 12.603 1.00 0.00 C ATOM 870 CG LYS A 60 9.254 23.580 13.144 1.00 0.00 C ATOM 871 CD LYS A 60 9.537 24.703 12.161 1.00 0.00 C ATOM 872 CE LYS A 60 9.978 25.971 12.876 1.00 0.00 C ATOM 873 NZ LYS A 60 11.347 25.839 13.447 1.00 0.00 N ATOM 0 H LYS A 60 9.198 23.131 10.406 1.00 0.00 H new ATOM 0 HA LYS A 60 9.631 21.050 12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.463 23.179 12.046 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.698 22.143 13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.907 24.000 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.176 23.039 13.356 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.313 24.390 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.642 24.908 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.955 26.808 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.272 26.202 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.610 26.724 13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.363 25.057 14.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.025 25.644 12.683 1.00 0.00 H new ATOM 887 N ALA A 61 6.818 20.790 10.500 1.00 0.00 N ATOM 888 CA ALA A 61 5.753 19.865 10.132 1.00 0.00 C ATOM 889 C ALA A 61 6.285 18.737 9.255 1.00 0.00 C ATOM 890 O ALA A 61 6.062 17.559 9.537 1.00 0.00 O ATOM 891 CB ALA A 61 4.632 20.607 9.419 1.00 0.00 C ATOM 0 H ALA A 61 6.792 21.682 10.006 1.00 0.00 H new ATOM 0 HA ALA A 61 5.357 19.423 11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.844 19.904 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.225 21.373 10.079 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.023 21.076 8.516 1.00 0.00 H new ATOM 897 N LYS A 62 6.988 19.103 8.190 1.00 0.00 N ATOM 898 CA LYS A 62 7.553 18.122 7.270 1.00 0.00 C ATOM 899 C LYS A 62 8.158 16.948 8.033 1.00 0.00 C ATOM 900 O LYS A 62 7.820 15.792 7.780 1.00 0.00 O ATOM 901 CB LYS A 62 8.619 18.775 6.388 1.00 0.00 C ATOM 902 CG LYS A 62 8.068 19.353 5.096 1.00 0.00 C ATOM 903 CD LYS A 62 8.880 20.551 4.630 1.00 0.00 C ATOM 904 CE LYS A 62 8.052 21.478 3.754 1.00 0.00 C ATOM 905 NZ LYS A 62 8.104 21.080 2.320 1.00 0.00 N ATOM 0 H LYS A 62 7.181 20.073 7.941 1.00 0.00 H new ATOM 0 HA LYS A 62 6.748 17.746 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.109 19.569 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.383 18.036 6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.073 18.586 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.030 19.651 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.250 21.101 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.753 20.207 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.017 21.471 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.416 22.500 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.527 21.737 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.089 21.111 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.733 20.114 2.214 1.00 0.00 H new ATOM 919 N GLN A 63 9.053 17.253 8.967 1.00 0.00 N ATOM 920 CA GLN A 63 9.704 16.221 9.766 1.00 0.00 C ATOM 921 C GLN A 63 8.675 15.390 10.524 1.00 0.00 C ATOM 922 O GLN A 63 8.777 14.164 10.587 1.00 0.00 O ATOM 923 CB GLN A 63 10.690 16.854 10.749 1.00 0.00 C ATOM 924 CG GLN A 63 10.037 17.809 11.736 1.00 0.00 C ATOM 925 CD GLN A 63 10.991 18.270 12.820 1.00 0.00 C ATOM 926 OE1 GLN A 63 11.298 19.457 12.929 1.00 0.00 O ATOM 927 NE2 GLN A 63 11.465 17.330 13.630 1.00 0.00 N ATOM 0 H GLN A 63 9.344 18.205 9.189 1.00 0.00 H new ATOM 0 HA GLN A 63 10.249 15.562 9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.197 16.063 11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.455 17.391 10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.657 18.678 11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.179 17.319 12.197 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.183 16.358 13.503 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.111 17.580 14.379 1.00 0.00 H new ATOM 936 N SER A 64 7.684 16.064 11.099 1.00 0.00 N ATOM 937 CA SER A 64 6.638 15.387 11.857 1.00 0.00 C ATOM 938 C SER A 64 5.926 14.350 10.993 1.00 0.00 C ATOM 939 O SER A 64 5.766 13.197 11.394 1.00 0.00 O ATOM 940 CB SER A 64 5.627 16.404 12.391 1.00 0.00 C ATOM 941 OG SER A 64 6.152 17.107 13.504 1.00 0.00 O ATOM 0 H SER A 64 7.583 17.078 11.054 1.00 0.00 H new ATOM 0 HA SER A 64 7.106 14.875 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.364 17.109 11.602 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.709 15.892 12.680 1.00 0.00 H new ATOM 0 HG SER A 64 6.714 17.846 13.189 1.00 0.00 H new ATOM 947 N ILE A 65 5.500 14.770 9.807 1.00 0.00 N ATOM 948 CA ILE A 65 4.805 13.879 8.886 1.00 0.00 C ATOM 949 C ILE A 65 5.747 12.810 8.340 1.00 0.00 C ATOM 950 O ILE A 65 5.502 11.614 8.496 1.00 0.00 O ATOM 951 CB ILE A 65 4.190 14.655 7.707 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.140 15.647 8.214 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.575 13.693 6.702 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.704 16.651 7.170 1.00 0.00 C ATOM 0 H ILE A 65 5.624 15.722 9.461 1.00 0.00 H new ATOM 0 HA ILE A 65 4.005 13.402 9.452 1.00 0.00 H new ATOM 0 HB ILE A 65 4.981 15.214 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.267 15.094 8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.542 16.181 9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.145 14.257 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.346 13.022 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.794 13.109 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.959 17.322 7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.566 17.230 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.272 16.126 6.318 1.00 0.00 H new ATOM 966 N ARG A 66 6.825 13.251 7.700 1.00 0.00 N ATOM 967 CA ARG A 66 7.805 12.333 7.132 1.00 0.00 C ATOM 968 C ARG A 66 8.075 11.170 8.081 1.00 0.00 C ATOM 969 O ARG A 66 7.898 10.006 7.721 1.00 0.00 O ATOM 970 CB ARG A 66 9.110 13.070 6.827 1.00 0.00 C ATOM 971 CG ARG A 66 9.057 13.900 5.554 1.00 0.00 C ATOM 972 CD ARG A 66 10.082 15.023 5.579 1.00 0.00 C ATOM 973 NE ARG A 66 11.389 14.583 5.098 1.00 0.00 N ATOM 974 CZ ARG A 66 11.721 14.536 3.813 1.00 0.00 C ATOM 975 NH1 ARG A 66 10.847 14.901 2.885 1.00 0.00 N ATOM 976 NH2 ARG A 66 12.930 14.124 3.454 1.00 0.00 N ATOM 0 H ARG A 66 7.042 14.238 7.562 1.00 0.00 H new ATOM 0 HA ARG A 66 7.396 11.934 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.354 13.722 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.917 12.343 6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.239 13.258 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.058 14.320 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.729 15.850 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.179 15.402 6.596 1.00 0.00 H new ATOM 0 HE ARG A 66 12.085 14.296 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.917 15.219 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.105 14.864 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.605 13.843 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.184 14.088 2.467 1.00 0.00 H new ATOM 990 N ALA A 67 8.505 11.493 9.297 1.00 0.00 N ATOM 991 CA ALA A 67 8.799 10.475 10.299 1.00 0.00 C ATOM 992 C ALA A 67 7.755 9.364 10.275 1.00 0.00 C ATOM 993 O ALA A 67 8.092 8.180 10.307 1.00 0.00 O ATOM 994 CB ALA A 67 8.873 11.103 11.682 1.00 0.00 C ATOM 0 H ALA A 67 8.657 12.451 9.612 1.00 0.00 H new ATOM 0 HA ALA A 67 9.767 10.033 10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.093 10.332 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.661 11.856 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.918 11.572 11.920 1.00 0.00 H new ATOM 1000 N LYS A 68 6.485 9.753 10.219 1.00 0.00 N ATOM 1001 CA LYS A 68 5.390 8.790 10.191 1.00 0.00 C ATOM 1002 C LYS A 68 5.437 7.951 8.918 1.00 0.00 C ATOM 1003 O LYS A 68 5.228 6.738 8.955 1.00 0.00 O ATOM 1004 CB LYS A 68 4.045 9.513 10.289 1.00 0.00 C ATOM 1005 CG LYS A 68 3.573 9.727 11.716 1.00 0.00 C ATOM 1006 CD LYS A 68 4.437 10.744 12.443 1.00 0.00 C ATOM 1007 CE LYS A 68 4.476 10.474 13.940 1.00 0.00 C ATOM 1008 NZ LYS A 68 5.115 11.591 14.689 1.00 0.00 N ATOM 0 H LYS A 68 6.189 10.729 10.192 1.00 0.00 H new ATOM 0 HA LYS A 68 5.501 8.125 11.048 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.125 10.480 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.293 8.938 9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.537 10.066 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.595 8.779 12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.450 10.716 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.050 11.747 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.461 10.324 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.024 9.551 14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.122 11.369 15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.092 11.718 14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.578 12.467 14.530 1.00 0.00 H new ATOM 1022 N CYS A 69 5.712 8.604 7.794 1.00 0.00 N ATOM 1023 CA CYS A 69 5.787 7.917 6.510 1.00 0.00 C ATOM 1024 C CYS A 69 6.746 6.733 6.581 1.00 0.00 C ATOM 1025 O CYS A 69 6.434 5.638 6.112 1.00 0.00 O ATOM 1026 CB CYS A 69 6.235 8.886 5.415 1.00 0.00 C ATOM 1027 SG CYS A 69 5.024 10.172 5.027 1.00 0.00 S ATOM 0 H CYS A 69 5.887 9.608 7.746 1.00 0.00 H new ATOM 0 HA CYS A 69 4.793 7.542 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.167 9.360 5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.450 8.319 4.509 1.00 0.00 H new ATOM 0 HG CYS A 69 5.494 10.943 4.092 1.00 0.00 H new ATOM 1033 N THR A 70 7.916 6.960 7.170 1.00 0.00 N ATOM 1034 CA THR A 70 8.922 5.914 7.300 1.00 0.00 C ATOM 1035 C THR A 70 8.470 4.835 8.277 1.00 0.00 C ATOM 1036 O THR A 70 8.671 3.645 8.036 1.00 0.00 O ATOM 1037 CB THR A 70 10.271 6.488 7.775 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.753 7.451 6.831 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.300 5.380 7.947 1.00 0.00 C ATOM 0 H THR A 70 8.190 7.860 7.565 1.00 0.00 H new ATOM 0 HA THR A 70 9.050 5.474 6.311 1.00 0.00 H new ATOM 0 HB THR A 70 10.116 6.971 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.610 7.812 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.244 5.809 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.943 4.664 8.687 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.451 4.872 6.994 1.00 0.00 H new ATOM 1047 N GLU A 71 7.859 5.259 9.378 1.00 0.00 N ATOM 1048 CA GLU A 71 7.378 4.326 10.391 1.00 0.00 C ATOM 1049 C GLU A 71 6.332 3.381 9.808 1.00 0.00 C ATOM 1050 O GLU A 71 6.481 2.160 9.865 1.00 0.00 O ATOM 1051 CB GLU A 71 6.787 5.089 11.579 1.00 0.00 C ATOM 1052 CG GLU A 71 6.440 4.200 12.761 1.00 0.00 C ATOM 1053 CD GLU A 71 7.571 3.263 13.138 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.641 3.760 13.549 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.387 2.033 13.023 1.00 0.00 O ATOM 0 H GLU A 71 7.685 6.241 9.592 1.00 0.00 H new ATOM 0 HA GLU A 71 8.226 3.733 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.499 5.848 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.888 5.613 11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.189 4.824 13.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.552 3.614 12.522 1.00 0.00 H new ATOM 1062 N TYR A 72 5.272 3.954 9.248 1.00 0.00 N ATOM 1063 CA TYR A 72 4.199 3.164 8.657 1.00 0.00 C ATOM 1064 C TYR A 72 4.716 2.328 7.490 1.00 0.00 C ATOM 1065 O TYR A 72 4.374 1.153 7.353 1.00 0.00 O ATOM 1066 CB TYR A 72 3.067 4.077 8.182 1.00 0.00 C ATOM 1067 CG TYR A 72 2.428 4.878 9.294 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.014 4.263 10.470 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.238 6.248 9.170 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.429 4.991 11.488 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.655 6.984 10.183 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.252 6.351 11.341 1.00 0.00 C ATOM 1073 OH TYR A 72 0.670 7.080 12.352 1.00 0.00 O ATOM 0 H TYR A 72 5.133 4.963 9.191 1.00 0.00 H new ATOM 0 HA TYR A 72 3.816 2.489 9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.456 4.763 7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.302 3.471 7.696 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.152 3.199 10.590 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.552 6.747 8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.112 4.498 12.395 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.515 8.049 10.069 1.00 0.00 H new ATOM 0 HH TYR A 72 0.621 8.023 12.089 1.00 0.00 H new ATOM 1083 N LEU A 73 5.544 2.943 6.653 1.00 0.00 N ATOM 1084 CA LEU A 73 6.111 2.257 5.497 1.00 0.00 C ATOM 1085 C LEU A 73 6.828 0.979 5.920 1.00 0.00 C ATOM 1086 O LEU A 73 6.666 -0.071 5.297 1.00 0.00 O ATOM 1087 CB LEU A 73 7.082 3.179 4.758 1.00 0.00 C ATOM 1088 CG LEU A 73 6.460 4.124 3.730 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.454 5.202 3.324 1.00 0.00 C ATOM 1090 CD2 LEU A 73 5.985 3.348 2.510 1.00 0.00 C ATOM 0 H LEU A 73 5.838 3.915 6.753 1.00 0.00 H new ATOM 0 HA LEU A 73 5.294 1.989 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.616 3.778 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.824 2.561 4.252 1.00 0.00 H new ATOM 0 HG LEU A 73 5.597 4.608 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.993 5.865 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.745 5.778 4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.337 4.736 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.545 4.037 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.831 2.836 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.238 2.615 2.813 1.00 0.00 H new ATOM 1102 N ASP A 74 7.619 1.074 6.983 1.00 0.00 N ATOM 1103 CA ASP A 74 8.358 -0.075 7.492 1.00 0.00 C ATOM 1104 C ASP A 74 7.406 -1.142 8.023 1.00 0.00 C ATOM 1105 O ASP A 74 7.633 -2.338 7.840 1.00 0.00 O ATOM 1106 CB ASP A 74 9.323 0.360 8.595 1.00 0.00 C ATOM 1107 CG ASP A 74 10.523 -0.559 8.711 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.384 -1.758 8.393 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.601 -0.080 9.121 1.00 0.00 O ATOM 0 H ASP A 74 7.765 1.936 7.509 1.00 0.00 H new ATOM 0 HA ASP A 74 8.930 -0.502 6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.665 1.375 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.794 0.384 9.548 1.00 0.00 H new ATOM 1114 N ARG A 75 6.340 -0.700 8.683 1.00 0.00 N ATOM 1115 CA ARG A 75 5.354 -1.617 9.243 1.00 0.00 C ATOM 1116 C ARG A 75 4.724 -2.473 8.149 1.00 0.00 C ATOM 1117 O ARG A 75 4.797 -3.701 8.189 1.00 0.00 O ATOM 1118 CB ARG A 75 4.267 -0.839 9.986 1.00 0.00 C ATOM 1119 CG ARG A 75 3.092 -1.699 10.422 1.00 0.00 C ATOM 1120 CD ARG A 75 3.511 -2.730 11.458 1.00 0.00 C ATOM 1121 NE ARG A 75 2.388 -3.163 12.286 1.00 0.00 N ATOM 1122 CZ ARG A 75 1.861 -2.421 13.254 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.352 -1.218 13.514 1.00 0.00 N ATOM 1124 NH2 ARG A 75 0.840 -2.884 13.964 1.00 0.00 N ATOM 0 H ARG A 75 6.137 0.287 8.843 1.00 0.00 H new ATOM 0 HA ARG A 75 5.865 -2.275 9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.706 -0.367 10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.901 -0.038 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.308 -1.064 10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.668 -2.205 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.944 -3.594 10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.289 -2.309 12.094 1.00 0.00 H new ATOM 0 HE ARG A 75 1.987 -4.084 12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.137 -0.859 12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.945 -0.651 14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.460 -3.810 13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.436 -2.314 14.707 1.00 0.00 H new ATOM 1138 N ALA A 76 4.106 -1.816 7.173 1.00 0.00 N ATOM 1139 CA ALA A 76 3.465 -2.517 6.067 1.00 0.00 C ATOM 1140 C ALA A 76 4.416 -3.525 5.430 1.00 0.00 C ATOM 1141 O ALA A 76 4.047 -4.674 5.192 1.00 0.00 O ATOM 1142 CB ALA A 76 2.972 -1.522 5.026 1.00 0.00 C ATOM 0 H ALA A 76 4.036 -0.800 7.126 1.00 0.00 H new ATOM 0 HA ALA A 76 2.610 -3.065 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.496 -2.059 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.251 -0.844 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.816 -0.949 4.642 1.00 0.00 H new ATOM 1148 N GLU A 77 5.640 -3.085 5.157 1.00 0.00 N ATOM 1149 CA GLU A 77 6.643 -3.949 4.546 1.00 0.00 C ATOM 1150 C GLU A 77 6.544 -5.370 5.095 1.00 0.00 C ATOM 1151 O GLU A 77 6.307 -6.321 4.349 1.00 0.00 O ATOM 1152 CB GLU A 77 8.047 -3.393 4.793 1.00 0.00 C ATOM 1153 CG GLU A 77 8.505 -2.405 3.733 1.00 0.00 C ATOM 1154 CD GLU A 77 9.107 -3.089 2.521 1.00 0.00 C ATOM 1155 OE1 GLU A 77 8.368 -3.807 1.816 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.318 -2.904 2.277 1.00 0.00 O ATOM 0 H GLU A 77 5.961 -2.136 5.349 1.00 0.00 H new ATOM 0 HA GLU A 77 6.455 -3.978 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.069 -2.904 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.754 -4.221 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.657 -1.796 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.241 -1.728 4.166 1.00 0.00 H new ATOM 1163 N LYS A 78 6.727 -5.507 6.404 1.00 0.00 N ATOM 1164 CA LYS A 78 6.657 -6.810 7.054 1.00 0.00 C ATOM 1165 C LYS A 78 5.337 -7.506 6.739 1.00 0.00 C ATOM 1166 O LYS A 78 5.318 -8.587 6.150 1.00 0.00 O ATOM 1167 CB LYS A 78 6.816 -6.656 8.569 1.00 0.00 C ATOM 1168 CG LYS A 78 8.258 -6.731 9.040 1.00 0.00 C ATOM 1169 CD LYS A 78 9.090 -5.593 8.473 1.00 0.00 C ATOM 1170 CE LYS A 78 10.286 -5.282 9.359 1.00 0.00 C ATOM 1171 NZ LYS A 78 9.905 -4.451 10.534 1.00 0.00 N ATOM 0 H LYS A 78 6.925 -4.731 7.036 1.00 0.00 H new ATOM 0 HA LYS A 78 7.471 -7.424 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.392 -5.700 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.239 -7.435 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.288 -6.697 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.691 -7.685 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.435 -5.856 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.470 -4.703 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.735 -6.214 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.044 -4.760 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.748 -4.261 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.500 -3.551 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.200 -4.960 11.105 1.00 0.00 H new ATOM 1185 N LEU A 79 4.234 -6.879 7.134 1.00 0.00 N ATOM 1186 CA LEU A 79 2.908 -7.437 6.892 1.00 0.00 C ATOM 1187 C LEU A 79 2.866 -8.182 5.562 1.00 0.00 C ATOM 1188 O LEU A 79 2.142 -9.167 5.412 1.00 0.00 O ATOM 1189 CB LEU A 79 1.856 -6.327 6.902 1.00 0.00 C ATOM 1190 CG LEU A 79 1.657 -5.602 8.233 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.608 -4.510 8.095 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.262 -6.588 9.323 1.00 0.00 C ATOM 0 H LEU A 79 4.232 -5.984 7.623 1.00 0.00 H new ATOM 0 HA LEU A 79 2.687 -8.145 7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.128 -5.590 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.901 -6.756 6.599 1.00 0.00 H new ATOM 0 HG LEU A 79 2.601 -5.136 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.480 -4.005 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.931 -3.788 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.340 -4.953 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.124 -6.055 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.331 -7.082 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.048 -7.334 9.441 1.00 0.00 H new ATOM 1204 N LYS A 80 3.647 -7.707 4.598 1.00 0.00 N ATOM 1205 CA LYS A 80 3.703 -8.330 3.281 1.00 0.00 C ATOM 1206 C LYS A 80 4.436 -9.666 3.341 1.00 0.00 C ATOM 1207 O LYS A 80 3.895 -10.698 2.946 1.00 0.00 O ATOM 1208 CB LYS A 80 4.397 -7.399 2.283 1.00 0.00 C ATOM 1209 CG LYS A 80 3.829 -5.991 2.268 1.00 0.00 C ATOM 1210 CD LYS A 80 4.868 -4.975 1.826 1.00 0.00 C ATOM 1211 CE LYS A 80 4.849 -4.778 0.318 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.239 -6.018 -0.409 1.00 0.00 N ATOM 0 H LYS A 80 4.251 -6.892 4.704 1.00 0.00 H new ATOM 0 HA LYS A 80 2.681 -8.512 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.459 -7.351 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.315 -7.826 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.971 -5.951 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.467 -5.733 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.680 -4.022 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.858 -5.306 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.851 -4.472 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.529 -3.970 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.621 -5.767 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.964 -6.527 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.405 -6.627 -0.529 1.00 0.00 H new ATOM 1226 N GLU A 81 5.668 -9.638 3.838 1.00 0.00 N ATOM 1227 CA GLU A 81 6.474 -10.848 3.950 1.00 0.00 C ATOM 1228 C GLU A 81 5.722 -11.934 4.714 1.00 0.00 C ATOM 1229 O GLU A 81 5.921 -13.126 4.479 1.00 0.00 O ATOM 1230 CB GLU A 81 7.800 -10.542 4.649 1.00 0.00 C ATOM 1231 CG GLU A 81 7.673 -10.390 6.155 1.00 0.00 C ATOM 1232 CD GLU A 81 8.980 -10.645 6.880 1.00 0.00 C ATOM 1233 OE1 GLU A 81 9.867 -9.766 6.829 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.117 -11.721 7.497 1.00 0.00 O ATOM 0 H GLU A 81 6.130 -8.791 4.169 1.00 0.00 H new ATOM 0 HA GLU A 81 6.678 -11.212 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.509 -11.341 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.217 -9.625 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.324 -9.384 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.916 -11.083 6.524 1.00 0.00 H new ATOM 1241 N TYR A 82 4.857 -11.513 5.630 1.00 0.00 N ATOM 1242 CA TYR A 82 4.077 -12.448 6.432 1.00 0.00 C ATOM 1243 C TYR A 82 2.912 -13.015 5.627 1.00 0.00 C ATOM 1244 O TYR A 82 2.674 -14.224 5.625 1.00 0.00 O ATOM 1245 CB TYR A 82 3.553 -11.758 7.692 1.00 0.00 C ATOM 1246 CG TYR A 82 2.263 -12.349 8.215 1.00 0.00 C ATOM 1247 CD1 TYR A 82 2.275 -13.446 9.068 1.00 0.00 C ATOM 1248 CD2 TYR A 82 1.033 -11.813 7.854 1.00 0.00 C ATOM 1249 CE1 TYR A 82 1.099 -13.990 9.548 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -0.147 -12.350 8.330 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.109 -13.439 9.176 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.283 -13.977 9.651 1.00 0.00 O ATOM 0 H TYR A 82 4.678 -10.530 5.836 1.00 0.00 H new ATOM 0 HA TYR A 82 4.730 -13.271 6.722 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.313 -11.818 8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.398 -10.700 7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.219 -13.881 9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 82 0.999 -10.962 7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.126 -14.842 10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.095 -11.920 8.041 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.043 -13.471 9.294 1.00 0.00 H new ATOM 1262 N LEU A 83 2.189 -12.135 4.944 1.00 0.00 N ATOM 1263 CA LEU A 83 1.048 -12.546 4.134 1.00 0.00 C ATOM 1264 C LEU A 83 1.479 -13.519 3.041 1.00 0.00 C ATOM 1265 O LEU A 83 0.762 -14.468 2.722 1.00 0.00 O ATOM 1266 CB LEU A 83 0.375 -11.323 3.507 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.343 -10.383 4.475 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.386 -8.970 3.914 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.750 -10.887 4.763 1.00 0.00 C ATOM 0 H LEU A 83 2.373 -11.132 4.935 1.00 0.00 H new ATOM 0 HA LEU A 83 0.335 -13.052 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.133 -10.751 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.346 -11.670 2.766 1.00 0.00 H new ATOM 0 HG LEU A 83 0.214 -10.363 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.901 -8.315 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.631 -8.609 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.919 -8.972 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.246 -10.206 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.316 -10.937 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.697 -11.880 5.209 1.00 0.00 H new ATOM 1281 N LYS A 84 2.655 -13.278 2.472 1.00 0.00 N ATOM 1282 CA LYS A 84 3.184 -14.135 1.417 1.00 0.00 C ATOM 1283 C LYS A 84 3.772 -15.416 2.000 1.00 0.00 C ATOM 1284 O LYS A 84 3.887 -16.427 1.310 1.00 0.00 O ATOM 1285 CB LYS A 84 4.254 -13.389 0.615 1.00 0.00 C ATOM 1286 CG LYS A 84 5.489 -13.039 1.427 1.00 0.00 C ATOM 1287 CD LYS A 84 6.545 -12.360 0.572 1.00 0.00 C ATOM 1288 CE LYS A 84 6.120 -10.955 0.173 1.00 0.00 C ATOM 1289 NZ LYS A 84 5.376 -10.945 -1.117 1.00 0.00 N ATOM 0 H LYS A 84 3.260 -12.496 2.723 1.00 0.00 H new ATOM 0 HA LYS A 84 2.361 -14.403 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.551 -14.001 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.822 -12.473 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.210 -12.382 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.904 -13.945 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.485 -12.315 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.727 -12.954 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.494 -10.529 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.001 -10.319 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.893 -10.368 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.286 -11.918 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.429 -10.542 -0.968 1.00 0.00 H new