USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 99 SER OG : rot 93:sc= -1.68! USER MOD Set 1.2: A 106 THR OG1 : rot 38:sc= 0.436! USER MOD Set 2.1: A 89 SER OG : rot -21:sc= 0.571! USER MOD Set 2.2: A 92 THR OG1 : rot -34:sc= 0.125 USER MOD Set 2.3: A 94 GLN : amide:sc= -3.62! C(o=-2.9!,f=-3.5!) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= -2.93! USER MOD Set 3.2: A 46 SER OG : rot 90:sc= -2.03 USER MOD Set 4.1: A 26 TYR OH : rot -31:sc= 0.957 USER MOD Set 4.2: A 41 ASN : amide:sc= -7.11! C(o=-6.2!,f=-11!) USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 0.158 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 68:sc= -16.2! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 136:sc= 0.0311 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -115:sc= 0.722 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 77 GLN : amide:sc= -2.79! C(o=-2.8!,f=-4.5!) USER MOD Single : A 82 ASN : amide:sc= -0.697 K(o=-0.7,f=-4.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -97:sc= -4.25! USER MOD Single : A 85 MET CE :methyl 164:sc= -5.04! (180deg=-5.55!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0196) USER MOD Single : A 95 GLN : amide:sc= -1.25 K(o=-1.2,f=-5.1!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -45:sc= -0.32 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= -0.529 (180deg=-2.11!) USER MOD Single : A 109 SER OG : rot 63:sc= 0.98 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 116 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.599 -6.834 -0.432 1.00 0.00 N ATOM 160 CA PRO A 12 -6.309 -6.285 -0.816 1.00 0.00 C ATOM 161 C PRO A 12 -5.701 -5.525 0.368 1.00 0.00 C ATOM 162 O PRO A 12 -6.022 -5.782 1.511 1.00 0.00 O ATOM 163 CB PRO A 12 -6.652 -5.323 -1.949 1.00 0.00 C ATOM 164 CG PRO A 12 -8.103 -4.856 -1.610 1.00 0.00 C ATOM 165 CD PRO A 12 -8.763 -6.021 -0.817 1.00 0.00 C ATOM 0 HA PRO A 12 -5.585 -7.043 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.959 -4.483 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.606 -5.815 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.089 -3.941 -1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.664 -4.638 -2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.314 -5.661 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.467 -6.583 -1.430 1.00 0.00 H new ATOM 173 N VAL A 13 -4.844 -4.575 0.104 1.00 0.00 N ATOM 174 CA VAL A 13 -4.243 -3.779 1.210 1.00 0.00 C ATOM 175 C VAL A 13 -4.717 -2.332 1.074 1.00 0.00 C ATOM 176 O VAL A 13 -3.994 -1.491 0.578 1.00 0.00 O ATOM 177 CB VAL A 13 -2.717 -3.829 1.122 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.114 -3.287 2.420 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.265 -5.277 0.915 1.00 0.00 C ATOM 0 H VAL A 13 -4.534 -4.316 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.550 -4.189 2.172 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.381 -3.220 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.026 -3.322 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.436 -2.256 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.450 -3.896 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.177 -5.313 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.601 -5.886 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.695 -5.664 -0.009 1.00 0.00 H new ATOM 189 N PRO A 14 -5.929 -2.084 1.510 1.00 0.00 N ATOM 190 CA PRO A 14 -6.512 -0.759 1.433 1.00 0.00 C ATOM 191 C PRO A 14 -5.514 0.285 1.919 1.00 0.00 C ATOM 192 O PRO A 14 -4.954 0.171 2.991 1.00 0.00 O ATOM 193 CB PRO A 14 -7.719 -0.816 2.360 1.00 0.00 C ATOM 194 CG PRO A 14 -8.108 -2.327 2.367 1.00 0.00 C ATOM 195 CD PRO A 14 -6.789 -3.113 2.114 1.00 0.00 C ATOM 0 HA PRO A 14 -6.787 -0.483 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.473 -0.461 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.535 -0.194 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.554 -2.610 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.845 -2.543 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.366 -3.507 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.941 -3.961 1.446 1.00 0.00 H new ATOM 203 N LEU A 15 -5.293 1.315 1.149 1.00 0.00 N ATOM 204 CA LEU A 15 -4.339 2.366 1.592 1.00 0.00 C ATOM 205 C LEU A 15 -5.050 3.727 1.690 1.00 0.00 C ATOM 206 O LEU A 15 -4.552 4.713 1.190 1.00 0.00 O ATOM 207 CB LEU A 15 -3.177 2.447 0.601 1.00 0.00 C ATOM 208 CG LEU A 15 -2.382 1.140 0.662 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.786 0.826 -0.710 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.255 1.279 1.686 1.00 0.00 C ATOM 0 H LEU A 15 -5.728 1.472 0.240 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.954 2.108 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.553 2.613 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.533 3.292 0.844 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.049 0.329 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.222 -0.105 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.588 0.724 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.122 1.636 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.688 0.349 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.594 2.094 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.679 1.493 2.667 1.00 0.00 H new ATOM 222 N PRO A 16 -6.185 3.739 2.363 1.00 0.00 N ATOM 223 CA PRO A 16 -6.967 4.947 2.582 1.00 0.00 C ATOM 224 C PRO A 16 -6.078 6.182 2.784 1.00 0.00 C ATOM 225 O PRO A 16 -6.498 7.295 2.534 1.00 0.00 O ATOM 226 CB PRO A 16 -7.778 4.646 3.832 1.00 0.00 C ATOM 227 CG PRO A 16 -7.925 3.088 3.826 1.00 0.00 C ATOM 228 CD PRO A 16 -6.769 2.526 2.942 1.00 0.00 C ATOM 0 HA PRO A 16 -7.591 5.186 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.269 4.995 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.750 5.138 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.864 2.691 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.895 2.793 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.042 1.969 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.140 1.849 2.173 1.00 0.00 H new ATOM 236 N GLU A 17 -4.853 6.015 3.215 1.00 0.00 N ATOM 237 CA GLU A 17 -3.964 7.202 3.400 1.00 0.00 C ATOM 238 C GLU A 17 -3.399 7.645 2.040 1.00 0.00 C ATOM 239 O GLU A 17 -2.389 8.317 1.964 1.00 0.00 O ATOM 240 CB GLU A 17 -2.811 6.834 4.335 1.00 0.00 C ATOM 241 CG GLU A 17 -2.906 7.666 5.616 1.00 0.00 C ATOM 242 CD GLU A 17 -2.854 9.154 5.263 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.530 9.463 4.128 1.00 0.00 O ATOM 244 OE2 GLU A 17 -3.139 9.959 6.134 1.00 0.00 O ATOM 0 H GLU A 17 -4.432 5.115 3.445 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.540 8.019 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.849 5.772 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.856 7.015 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.833 7.438 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.087 7.412 6.289 1.00 0.00 H new ATOM 251 N LEU A 18 -4.048 7.274 0.967 1.00 0.00 N ATOM 252 CA LEU A 18 -3.578 7.660 -0.389 1.00 0.00 C ATOM 253 C LEU A 18 -4.807 7.763 -1.298 1.00 0.00 C ATOM 254 O LEU A 18 -5.153 6.817 -1.978 1.00 0.00 O ATOM 255 CB LEU A 18 -2.633 6.580 -0.922 1.00 0.00 C ATOM 256 CG LEU A 18 -1.415 7.235 -1.570 1.00 0.00 C ATOM 257 CD1 LEU A 18 -0.151 6.821 -0.814 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.311 6.776 -3.024 1.00 0.00 C ATOM 0 H LEU A 18 -4.898 6.710 0.978 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.047 8.611 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.317 5.926 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.152 5.956 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.520 8.319 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.719 7.288 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.227 7.142 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.043 5.737 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.443 7.241 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.203 5.692 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.213 7.067 -3.563 1.00 0.00 H new ATOM 270 N PRO A 19 -5.450 8.902 -1.257 1.00 0.00 N ATOM 271 CA PRO A 19 -6.657 9.135 -2.037 1.00 0.00 C ATOM 272 C PRO A 19 -6.356 9.156 -3.537 1.00 0.00 C ATOM 273 O PRO A 19 -5.525 9.907 -4.010 1.00 0.00 O ATOM 274 CB PRO A 19 -7.164 10.494 -1.565 1.00 0.00 C ATOM 275 CG PRO A 19 -5.883 11.187 -1.005 1.00 0.00 C ATOM 276 CD PRO A 19 -5.006 10.037 -0.434 1.00 0.00 C ATOM 0 HA PRO A 19 -7.393 8.344 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.604 11.064 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.932 10.392 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.356 11.730 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.135 11.911 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.941 10.236 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.186 9.871 0.628 1.00 0.00 H new ATOM 284 N CYS A 20 -7.039 8.333 -4.286 1.00 0.00 N ATOM 285 CA CYS A 20 -6.818 8.290 -5.758 1.00 0.00 C ATOM 286 C CYS A 20 -7.639 9.393 -6.427 1.00 0.00 C ATOM 287 O CYS A 20 -8.804 9.577 -6.134 1.00 0.00 O ATOM 288 CB CYS A 20 -7.272 6.932 -6.290 1.00 0.00 C ATOM 289 SG CYS A 20 -5.870 6.088 -7.065 1.00 0.00 S ATOM 0 H CYS A 20 -7.745 7.685 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.761 8.439 -5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.671 6.326 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.076 7.063 -7.014 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.999 5.769 -6.155 1.00 0.00 H new ATOM 295 N GLU A 21 -7.043 10.127 -7.325 1.00 0.00 N ATOM 296 CA GLU A 21 -7.792 11.217 -8.012 1.00 0.00 C ATOM 297 C GLU A 21 -8.342 12.195 -6.971 1.00 0.00 C ATOM 298 O GLU A 21 -9.217 12.990 -7.253 1.00 0.00 O ATOM 299 CB GLU A 21 -8.952 10.616 -8.810 1.00 0.00 C ATOM 300 CG GLU A 21 -9.412 11.614 -9.875 1.00 0.00 C ATOM 301 CD GLU A 21 -10.711 11.119 -10.512 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.630 10.377 -11.477 1.00 0.00 O ATOM 303 OE2 GLU A 21 -11.766 11.492 -10.025 1.00 0.00 O ATOM 0 H GLU A 21 -6.070 10.020 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.121 11.746 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.639 9.684 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.779 10.373 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.566 12.595 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.642 11.729 -10.637 1.00 0.00 H new ATOM 310 N LYS A 22 -7.837 12.144 -5.768 1.00 0.00 N ATOM 311 CA LYS A 22 -8.333 13.069 -4.712 1.00 0.00 C ATOM 312 C LYS A 22 -9.835 12.858 -4.518 1.00 0.00 C ATOM 313 O LYS A 22 -10.582 13.794 -4.311 1.00 0.00 O ATOM 314 CB LYS A 22 -8.071 14.516 -5.135 1.00 0.00 C ATOM 315 CG LYS A 22 -7.787 15.367 -3.895 1.00 0.00 C ATOM 316 CD LYS A 22 -6.278 15.416 -3.646 1.00 0.00 C ATOM 317 CE LYS A 22 -6.006 15.327 -2.143 1.00 0.00 C ATOM 318 NZ LYS A 22 -4.558 15.565 -1.885 1.00 0.00 N ATOM 0 H LYS A 22 -7.102 11.501 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.812 12.866 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.224 14.558 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.934 14.911 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.176 16.375 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.296 14.947 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.786 14.593 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.862 16.340 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.607 16.063 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.297 14.346 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.373 15.505 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.994 14.846 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.295 16.510 -2.229 1.00 0.00 H new ATOM 332 N SER A 23 -10.283 11.636 -4.583 1.00 0.00 N ATOM 333 CA SER A 23 -11.738 11.368 -4.403 1.00 0.00 C ATOM 334 C SER A 23 -11.942 10.445 -3.200 1.00 0.00 C ATOM 335 O SER A 23 -11.075 10.303 -2.361 1.00 0.00 O ATOM 336 CB SER A 23 -12.292 10.695 -5.660 1.00 0.00 C ATOM 337 OG SER A 23 -13.701 10.886 -5.712 1.00 0.00 O ATOM 0 H SER A 23 -9.706 10.812 -4.753 1.00 0.00 H new ATOM 0 HA SER A 23 -12.262 12.309 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.823 11.116 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.058 9.631 -5.650 1.00 0.00 H new ATOM 0 HG SER A 23 -14.060 10.458 -6.517 1.00 0.00 H new ATOM 343 N ASP A 24 -13.080 9.814 -3.111 1.00 0.00 N ATOM 344 CA ASP A 24 -13.333 8.898 -1.965 1.00 0.00 C ATOM 345 C ASP A 24 -12.604 7.577 -2.205 1.00 0.00 C ATOM 346 O ASP A 24 -12.663 6.669 -1.400 1.00 0.00 O ATOM 347 CB ASP A 24 -14.836 8.636 -1.842 1.00 0.00 C ATOM 348 CG ASP A 24 -15.332 7.913 -3.095 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.652 7.986 -4.106 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.383 7.298 -3.023 1.00 0.00 O ATOM 0 H ASP A 24 -13.844 9.893 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.969 9.355 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.040 8.033 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.371 9.577 -1.717 1.00 0.00 H new ATOM 355 N ALA A 25 -11.913 7.460 -3.307 1.00 0.00 N ATOM 356 CA ALA A 25 -11.181 6.200 -3.594 1.00 0.00 C ATOM 357 C ALA A 25 -9.828 6.228 -2.886 1.00 0.00 C ATOM 358 O ALA A 25 -9.289 7.278 -2.601 1.00 0.00 O ATOM 359 CB ALA A 25 -10.958 6.073 -5.103 1.00 0.00 C ATOM 0 H ALA A 25 -11.826 8.185 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.764 5.351 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.421 5.149 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.921 6.058 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.373 6.922 -5.457 1.00 0.00 H new ATOM 365 N TYR A 26 -9.269 5.084 -2.607 1.00 0.00 N ATOM 366 CA TYR A 26 -7.945 5.056 -1.930 1.00 0.00 C ATOM 367 C TYR A 26 -7.029 4.081 -2.671 1.00 0.00 C ATOM 368 O TYR A 26 -7.296 3.713 -3.795 1.00 0.00 O ATOM 369 CB TYR A 26 -8.115 4.631 -0.471 1.00 0.00 C ATOM 370 CG TYR A 26 -9.265 3.664 -0.339 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.118 2.337 -0.758 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.477 4.093 0.216 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.182 1.439 -0.622 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.542 3.197 0.351 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.394 1.869 -0.067 1.00 0.00 C ATOM 376 OH TYR A 26 -12.443 0.983 0.066 1.00 0.00 O ATOM 0 H TYR A 26 -9.671 4.170 -2.818 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.499 6.050 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.197 4.166 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.294 5.507 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.183 2.006 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.589 5.117 0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.069 0.415 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.477 3.529 0.777 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.404 0.319 -0.654 1.00 0.00 H new ATOM 386 N PHE A 27 -5.940 3.676 -2.077 1.00 0.00 N ATOM 387 CA PHE A 27 -5.018 2.753 -2.798 1.00 0.00 C ATOM 388 C PHE A 27 -5.079 1.328 -2.229 1.00 0.00 C ATOM 389 O PHE A 27 -4.239 0.923 -1.451 1.00 0.00 O ATOM 390 CB PHE A 27 -3.585 3.278 -2.685 1.00 0.00 C ATOM 391 CG PHE A 27 -3.274 4.152 -3.877 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.114 5.224 -4.198 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.144 3.888 -4.660 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.824 6.033 -5.302 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.855 4.697 -5.766 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.695 5.770 -6.087 1.00 0.00 C ATOM 0 H PHE A 27 -5.651 3.940 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.331 2.714 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.466 3.847 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.884 2.445 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.986 5.427 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.495 3.061 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.472 6.861 -5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.984 4.493 -6.371 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.472 6.394 -6.940 1.00 0.00 H new ATOM 406 N VAL A 28 -6.044 0.553 -2.640 1.00 0.00 N ATOM 407 CA VAL A 28 -6.123 -0.863 -2.157 1.00 0.00 C ATOM 408 C VAL A 28 -5.095 -1.695 -2.934 1.00 0.00 C ATOM 409 O VAL A 28 -5.028 -1.632 -4.146 1.00 0.00 O ATOM 410 CB VAL A 28 -7.522 -1.455 -2.401 1.00 0.00 C ATOM 411 CG1 VAL A 28 -8.388 -1.279 -1.154 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.195 -0.762 -3.588 1.00 0.00 C ATOM 0 H VAL A 28 -6.781 0.833 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.921 -0.882 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.414 -2.517 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.377 -1.701 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.923 -1.793 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.483 -0.218 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.184 -1.192 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.292 0.304 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.589 -0.903 -4.483 1.00 0.00 H new ATOM 422 N LEU A 29 -4.290 -2.470 -2.258 1.00 0.00 N ATOM 423 CA LEU A 29 -3.273 -3.291 -2.978 1.00 0.00 C ATOM 424 C LEU A 29 -3.961 -4.445 -3.708 1.00 0.00 C ATOM 425 O LEU A 29 -4.367 -5.419 -3.106 1.00 0.00 O ATOM 426 CB LEU A 29 -2.260 -3.859 -1.980 1.00 0.00 C ATOM 427 CG LEU A 29 -1.391 -4.911 -2.675 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.074 -4.477 -2.631 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.542 -6.252 -1.955 1.00 0.00 C ATOM 0 H LEU A 29 -4.292 -2.570 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.756 -2.658 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.634 -3.058 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.780 -4.304 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.709 -5.014 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.691 -5.227 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.186 -3.521 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.392 -4.373 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.924 -7.002 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.224 -6.146 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.586 -6.565 -1.985 1.00 0.00 H new ATOM 441 N ARG A 30 -4.090 -4.350 -5.003 1.00 0.00 N ATOM 442 CA ARG A 30 -4.747 -5.446 -5.767 1.00 0.00 C ATOM 443 C ARG A 30 -3.674 -6.376 -6.341 1.00 0.00 C ATOM 444 O ARG A 30 -2.509 -6.039 -6.385 1.00 0.00 O ATOM 445 CB ARG A 30 -5.571 -4.852 -6.911 1.00 0.00 C ATOM 446 CG ARG A 30 -7.028 -4.707 -6.468 1.00 0.00 C ATOM 447 CD ARG A 30 -7.747 -3.721 -7.392 1.00 0.00 C ATOM 448 NE ARG A 30 -8.840 -4.427 -8.118 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.086 -4.179 -7.820 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.497 -2.946 -7.705 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.921 -5.165 -7.637 1.00 0.00 N ATOM 0 H ARG A 30 -3.769 -3.561 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.404 -6.009 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.168 -3.880 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.509 -5.494 -7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.526 -5.676 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.073 -4.355 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.156 -2.894 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.041 -3.292 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.614 -5.104 -8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.844 -2.175 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.471 -2.753 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.600 -6.129 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.895 -4.972 -7.404 1.00 0.00 H new ATOM 465 N ASP A 31 -4.057 -7.543 -6.779 1.00 0.00 N ATOM 466 CA ASP A 31 -3.053 -8.489 -7.346 1.00 0.00 C ATOM 467 C ASP A 31 -3.494 -8.920 -8.747 1.00 0.00 C ATOM 468 O ASP A 31 -4.463 -9.634 -8.912 1.00 0.00 O ATOM 469 CB ASP A 31 -2.947 -9.720 -6.445 1.00 0.00 C ATOM 470 CG ASP A 31 -4.345 -10.288 -6.189 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.095 -9.658 -5.463 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.641 -11.344 -6.724 1.00 0.00 O ATOM 0 H ASP A 31 -5.019 -7.883 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.082 -7.997 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.317 -10.475 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.473 -9.453 -5.501 1.00 0.00 H new ATOM 477 N GLY A 32 -2.789 -8.491 -9.760 1.00 0.00 N ATOM 478 CA GLY A 32 -3.170 -8.879 -11.148 1.00 0.00 C ATOM 479 C GLY A 32 -2.324 -8.094 -12.151 1.00 0.00 C ATOM 480 O GLY A 32 -1.319 -7.507 -11.805 1.00 0.00 O ATOM 0 H GLY A 32 -1.968 -7.890 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.021 -9.949 -11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.228 -8.679 -11.315 1.00 0.00 H new ATOM 484 N ALA A 33 -2.725 -8.078 -13.393 1.00 0.00 N ATOM 485 CA ALA A 33 -1.946 -7.331 -14.421 1.00 0.00 C ATOM 486 C ALA A 33 -0.581 -7.997 -14.610 1.00 0.00 C ATOM 487 O ALA A 33 -0.423 -8.894 -15.413 1.00 0.00 O ATOM 488 CB ALA A 33 -1.751 -5.884 -13.962 1.00 0.00 C ATOM 0 H ALA A 33 -3.559 -8.551 -13.740 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.488 -7.341 -15.367 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.181 -5.338 -14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.724 -5.410 -13.829 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.209 -5.872 -13.016 1.00 0.00 H new ATOM 494 N ALA A 34 0.407 -7.563 -13.875 1.00 0.00 N ATOM 495 CA ALA A 34 1.761 -8.170 -14.012 1.00 0.00 C ATOM 496 C ALA A 34 2.429 -8.238 -12.639 1.00 0.00 C ATOM 497 O ALA A 34 3.635 -8.147 -12.519 1.00 0.00 O ATOM 498 CB ALA A 34 2.611 -7.314 -14.953 1.00 0.00 C ATOM 0 H ALA A 34 0.335 -6.814 -13.186 1.00 0.00 H new ATOM 0 HA ALA A 34 1.669 -9.176 -14.421 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.602 -7.758 -15.053 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.134 -7.266 -15.932 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.704 -6.308 -14.545 1.00 0.00 H new ATOM 504 N GLY A 35 1.655 -8.395 -11.600 1.00 0.00 N ATOM 505 CA GLY A 35 2.246 -8.467 -10.234 1.00 0.00 C ATOM 506 C GLY A 35 1.422 -7.605 -9.276 1.00 0.00 C ATOM 507 O GLY A 35 0.748 -6.681 -9.682 1.00 0.00 O ATOM 0 H GLY A 35 0.639 -8.477 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.263 -9.500 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.279 -8.121 -10.254 1.00 0.00 H new ATOM 511 N VAL A 36 1.472 -7.901 -8.006 1.00 0.00 N ATOM 512 CA VAL A 36 0.692 -7.098 -7.023 1.00 0.00 C ATOM 513 C VAL A 36 0.865 -5.608 -7.328 1.00 0.00 C ATOM 514 O VAL A 36 1.734 -5.213 -8.080 1.00 0.00 O ATOM 515 CB VAL A 36 1.197 -7.395 -5.609 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.724 -7.334 -5.590 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.635 -6.356 -4.635 1.00 0.00 C ATOM 0 H VAL A 36 2.019 -8.664 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.364 -7.361 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 36 0.868 -8.390 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.084 -7.545 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.126 -8.074 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.052 -6.339 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.995 -6.569 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.963 -5.361 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.454 -6.398 -4.647 1.00 0.00 H new ATOM 527 N PHE A 37 0.043 -4.779 -6.746 1.00 0.00 N ATOM 528 CA PHE A 37 0.151 -3.316 -6.995 1.00 0.00 C ATOM 529 C PHE A 37 -0.910 -2.591 -6.165 1.00 0.00 C ATOM 530 O PHE A 37 -1.606 -3.195 -5.373 1.00 0.00 O ATOM 531 CB PHE A 37 -0.075 -3.030 -8.480 1.00 0.00 C ATOM 532 CG PHE A 37 -1.512 -3.321 -8.838 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.026 -4.613 -8.677 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.331 -2.299 -9.332 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.358 -4.884 -9.008 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.664 -2.570 -9.664 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.178 -3.862 -9.503 1.00 0.00 C ATOM 0 H PHE A 37 -0.702 -5.054 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 37 1.144 -2.966 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.162 -1.989 -8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.593 -3.644 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.394 -5.402 -8.297 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.935 -1.302 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.754 -5.881 -8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.296 -1.781 -10.045 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.206 -4.071 -9.760 1.00 0.00 H new ATOM 547 N LEU A 38 -1.042 -1.304 -6.334 1.00 0.00 N ATOM 548 CA LEU A 38 -2.063 -0.557 -5.545 1.00 0.00 C ATOM 549 C LEU A 38 -3.054 0.117 -6.494 1.00 0.00 C ATOM 550 O LEU A 38 -2.784 1.165 -7.046 1.00 0.00 O ATOM 551 CB LEU A 38 -1.376 0.512 -4.691 1.00 0.00 C ATOM 552 CG LEU A 38 0.000 0.014 -4.246 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.086 0.822 -4.958 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.142 0.197 -2.733 1.00 0.00 C ATOM 0 H LEU A 38 -0.491 -0.740 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.594 -1.255 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.272 1.435 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.988 0.743 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 38 0.105 -1.041 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.068 0.469 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.985 0.697 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.981 1.877 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.122 -0.157 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.039 1.253 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.634 -0.374 -2.223 1.00 0.00 H new ATOM 566 N ALA A 39 -4.204 -0.472 -6.686 1.00 0.00 N ATOM 567 CA ALA A 39 -5.208 0.146 -7.595 1.00 0.00 C ATOM 568 C ALA A 39 -6.105 1.086 -6.790 1.00 0.00 C ATOM 569 O ALA A 39 -6.251 0.947 -5.590 1.00 0.00 O ATOM 570 CB ALA A 39 -6.065 -0.945 -8.240 1.00 0.00 C ATOM 0 H ALA A 39 -4.489 -1.351 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.693 0.706 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.798 -0.487 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.427 -1.618 -8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.582 -1.509 -7.463 1.00 0.00 H new ATOM 576 N ALA A 40 -6.705 2.042 -7.440 1.00 0.00 N ATOM 577 CA ALA A 40 -7.590 2.992 -6.713 1.00 0.00 C ATOM 578 C ALA A 40 -8.887 2.279 -6.323 1.00 0.00 C ATOM 579 O ALA A 40 -9.294 1.322 -6.951 1.00 0.00 O ATOM 580 CB ALA A 40 -7.914 4.180 -7.619 1.00 0.00 C ATOM 0 H ALA A 40 -6.621 2.207 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.085 3.348 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.562 4.877 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.990 4.686 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.421 3.825 -8.517 1.00 0.00 H new ATOM 586 N ASN A 41 -9.541 2.739 -5.291 1.00 0.00 N ATOM 587 CA ASN A 41 -10.810 2.086 -4.866 1.00 0.00 C ATOM 588 C ASN A 41 -11.955 2.559 -5.764 1.00 0.00 C ATOM 589 O ASN A 41 -13.102 2.215 -5.556 1.00 0.00 O ATOM 590 CB ASN A 41 -11.116 2.460 -3.414 1.00 0.00 C ATOM 591 CG ASN A 41 -12.150 1.487 -2.843 1.00 0.00 C ATOM 592 OD1 ASN A 41 -11.802 0.432 -2.351 1.00 0.00 O ATOM 593 ND2 ASN A 41 -13.416 1.800 -2.890 1.00 0.00 N ATOM 0 H ASN A 41 -9.251 3.537 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.705 1.004 -4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.203 2.428 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.494 3.481 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.114 1.159 -2.514 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.707 2.686 -3.303 1.00 0.00 H new ATOM 600 N THR A 42 -11.656 3.345 -6.763 1.00 0.00 N ATOM 601 CA THR A 42 -12.729 3.837 -7.671 1.00 0.00 C ATOM 602 C THR A 42 -12.460 3.347 -9.097 1.00 0.00 C ATOM 603 O THR A 42 -13.216 3.625 -10.007 1.00 0.00 O ATOM 604 CB THR A 42 -12.755 5.368 -7.646 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.422 5.861 -7.636 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.489 5.847 -6.393 1.00 0.00 C ATOM 0 H THR A 42 -10.715 3.667 -6.989 1.00 0.00 H new ATOM 0 HA THR A 42 -13.693 3.454 -7.337 1.00 0.00 H new ATOM 0 HB THR A 42 -13.273 5.739 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.436 6.841 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.507 6.937 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.511 5.467 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.973 5.479 -5.506 1.00 0.00 H new ATOM 614 N PHE A 43 -11.392 2.616 -9.295 1.00 0.00 N ATOM 615 CA PHE A 43 -11.064 2.095 -10.658 1.00 0.00 C ATOM 616 C PHE A 43 -12.356 1.681 -11.375 1.00 0.00 C ATOM 617 O PHE A 43 -13.259 1.157 -10.754 1.00 0.00 O ATOM 618 CB PHE A 43 -10.148 0.875 -10.514 1.00 0.00 C ATOM 619 CG PHE A 43 -9.893 0.262 -11.869 1.00 0.00 C ATOM 620 CD1 PHE A 43 -10.854 -0.572 -12.454 1.00 0.00 C ATOM 621 CD2 PHE A 43 -8.695 0.529 -12.543 1.00 0.00 C ATOM 622 CE1 PHE A 43 -10.616 -1.138 -13.712 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.458 -0.038 -13.801 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.419 -0.871 -14.386 1.00 0.00 C ATOM 0 H PHE A 43 -10.728 2.356 -8.566 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.564 2.870 -11.239 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.204 1.170 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.608 0.140 -9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.778 -0.778 -11.935 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.954 1.172 -12.092 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.357 -1.781 -14.163 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.534 0.167 -14.320 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.237 -1.307 -15.357 1.00 0.00 H new ATOM 634 N PRO A 44 -12.410 1.922 -12.664 1.00 0.00 N ATOM 635 CA PRO A 44 -11.324 2.552 -13.408 1.00 0.00 C ATOM 636 C PRO A 44 -11.313 4.069 -13.190 1.00 0.00 C ATOM 637 O PRO A 44 -10.418 4.757 -13.638 1.00 0.00 O ATOM 638 CB PRO A 44 -11.639 2.238 -14.864 1.00 0.00 C ATOM 639 CG PRO A 44 -13.194 2.086 -14.876 1.00 0.00 C ATOM 640 CD PRO A 44 -13.586 1.554 -13.466 1.00 0.00 C ATOM 0 HA PRO A 44 -10.346 2.188 -13.093 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.309 3.037 -15.528 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.144 1.325 -15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.678 3.041 -15.081 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.512 1.394 -15.656 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.497 2.021 -13.092 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.758 0.478 -13.469 1.00 0.00 H new ATOM 648 N LYS A 45 -12.300 4.600 -12.516 1.00 0.00 N ATOM 649 CA LYS A 45 -12.335 6.072 -12.284 1.00 0.00 C ATOM 650 C LYS A 45 -10.933 6.561 -11.910 1.00 0.00 C ATOM 651 O LYS A 45 -10.574 7.695 -12.153 1.00 0.00 O ATOM 652 CB LYS A 45 -13.318 6.380 -11.150 1.00 0.00 C ATOM 653 CG LYS A 45 -13.071 7.794 -10.626 1.00 0.00 C ATOM 654 CD LYS A 45 -14.146 8.156 -9.599 1.00 0.00 C ATOM 655 CE LYS A 45 -14.538 9.624 -9.768 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.702 9.932 -8.888 1.00 0.00 N ATOM 0 H LYS A 45 -13.081 4.078 -12.118 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.660 6.583 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.343 6.289 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.197 5.656 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.083 7.856 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.087 8.506 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.020 7.518 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.773 7.982 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.696 10.268 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.792 9.826 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.969 10.931 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.506 9.326 -9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.444 9.754 -7.896 1.00 0.00 H new ATOM 670 N SER A 46 -10.138 5.709 -11.325 1.00 0.00 N ATOM 671 CA SER A 46 -8.759 6.118 -10.942 1.00 0.00 C ATOM 672 C SER A 46 -7.766 5.079 -11.467 1.00 0.00 C ATOM 673 O SER A 46 -7.597 4.022 -10.892 1.00 0.00 O ATOM 674 CB SER A 46 -8.655 6.203 -9.419 1.00 0.00 C ATOM 675 OG SER A 46 -8.990 7.520 -9.000 1.00 0.00 O ATOM 0 H SER A 46 -10.384 4.746 -11.096 1.00 0.00 H new ATOM 0 HA SER A 46 -8.532 7.094 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.326 5.480 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.644 5.952 -9.097 1.00 0.00 H new ATOM 0 HG SER A 46 -9.954 7.574 -8.831 1.00 0.00 H new ATOM 681 N ARG A 47 -7.111 5.370 -12.558 1.00 0.00 N ATOM 682 CA ARG A 47 -6.134 4.395 -13.120 1.00 0.00 C ATOM 683 C ARG A 47 -4.752 4.651 -12.516 1.00 0.00 C ATOM 684 O ARG A 47 -3.738 4.434 -13.149 1.00 0.00 O ATOM 685 CB ARG A 47 -6.065 4.558 -14.639 1.00 0.00 C ATOM 686 CG ARG A 47 -6.794 3.393 -15.311 1.00 0.00 C ATOM 687 CD ARG A 47 -6.694 3.536 -16.831 1.00 0.00 C ATOM 688 NE ARG A 47 -7.396 2.397 -17.485 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.698 2.401 -17.579 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.329 3.508 -17.858 1.00 0.00 N ATOM 691 NH2 ARG A 47 -9.369 1.297 -17.393 1.00 0.00 N ATOM 0 H ARG A 47 -7.210 6.239 -13.083 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.454 3.381 -12.878 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.519 5.504 -14.935 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.025 4.587 -14.965 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.357 2.446 -14.995 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.840 3.379 -15.005 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.137 4.480 -17.148 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.648 3.556 -17.137 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.860 1.614 -17.859 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.805 4.371 -18.003 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.346 3.511 -17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.876 0.431 -17.174 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.386 1.300 -17.466 1.00 0.00 H new ATOM 705 N GLU A 48 -4.702 5.106 -11.294 1.00 0.00 N ATOM 706 CA GLU A 48 -3.385 5.369 -10.651 1.00 0.00 C ATOM 707 C GLU A 48 -2.876 4.080 -10.006 1.00 0.00 C ATOM 708 O GLU A 48 -2.488 4.059 -8.856 1.00 0.00 O ATOM 709 CB GLU A 48 -3.543 6.450 -9.580 1.00 0.00 C ATOM 710 CG GLU A 48 -4.370 7.609 -10.142 1.00 0.00 C ATOM 711 CD GLU A 48 -4.550 8.677 -9.062 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.271 8.383 -7.912 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.962 9.774 -9.404 1.00 0.00 O ATOM 0 H GLU A 48 -5.516 5.307 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.672 5.710 -11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.031 6.035 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.564 6.808 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.872 8.037 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.342 7.247 -10.477 1.00 0.00 H new ATOM 720 N THR A 49 -2.880 3.002 -10.741 1.00 0.00 N ATOM 721 CA THR A 49 -2.401 1.710 -10.175 1.00 0.00 C ATOM 722 C THR A 49 -1.024 1.380 -10.756 1.00 0.00 C ATOM 723 O THR A 49 -0.716 1.721 -11.881 1.00 0.00 O ATOM 724 CB THR A 49 -3.387 0.593 -10.535 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.003 0.005 -11.770 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.799 1.170 -10.660 1.00 0.00 C ATOM 0 H THR A 49 -3.195 2.960 -11.710 1.00 0.00 H new ATOM 0 HA THR A 49 -2.330 1.794 -9.091 1.00 0.00 H new ATOM 0 HB THR A 49 -3.377 -0.164 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.059 -0.971 -11.699 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.497 0.373 -10.916 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.094 1.619 -9.712 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.814 1.930 -11.442 1.00 0.00 H new ATOM 734 N ARG A 50 -0.194 0.720 -9.997 1.00 0.00 N ATOM 735 CA ARG A 50 1.163 0.368 -10.502 1.00 0.00 C ATOM 736 C ARG A 50 2.056 -0.018 -9.322 1.00 0.00 C ATOM 737 O ARG A 50 1.719 0.208 -8.177 1.00 0.00 O ATOM 738 CB ARG A 50 1.768 1.575 -11.224 1.00 0.00 C ATOM 739 CG ARG A 50 1.881 1.271 -12.720 1.00 0.00 C ATOM 740 CD ARG A 50 2.726 2.350 -13.398 1.00 0.00 C ATOM 741 NE ARG A 50 2.035 2.823 -14.630 1.00 0.00 N ATOM 742 CZ ARG A 50 2.481 2.471 -15.804 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.753 2.569 -16.077 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.654 2.019 -16.708 1.00 0.00 N ATOM 0 H ARG A 50 -0.397 0.409 -9.047 1.00 0.00 H new ATOM 0 HA ARG A 50 1.089 -0.470 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.145 2.456 -11.067 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.752 1.803 -10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.335 0.291 -12.869 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.889 1.235 -13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.885 3.184 -12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.709 1.952 -13.650 1.00 0.00 H new ATOM 0 HE ARG A 50 1.213 3.422 -14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.400 2.921 -15.372 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.100 2.293 -16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.659 1.941 -16.496 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.003 1.744 -17.626 1.00 0.00 H new ATOM 758 N ALA A 51 3.194 -0.601 -9.588 1.00 0.00 N ATOM 759 CA ALA A 51 4.099 -0.998 -8.475 1.00 0.00 C ATOM 760 C ALA A 51 4.207 0.162 -7.477 1.00 0.00 C ATOM 761 O ALA A 51 4.246 1.311 -7.871 1.00 0.00 O ATOM 762 CB ALA A 51 5.483 -1.324 -9.033 1.00 0.00 C ATOM 0 H ALA A 51 3.534 -0.818 -10.525 1.00 0.00 H new ATOM 0 HA ALA A 51 3.698 -1.878 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.145 -1.615 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.404 -2.145 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.889 -0.446 -9.535 1.00 0.00 H new ATOM 768 N PRO A 52 4.240 -0.171 -6.210 1.00 0.00 N ATOM 769 CA PRO A 52 4.329 0.825 -5.153 1.00 0.00 C ATOM 770 C PRO A 52 5.749 1.392 -5.047 1.00 0.00 C ATOM 771 O PRO A 52 6.720 0.662 -5.016 1.00 0.00 O ATOM 772 CB PRO A 52 3.973 0.060 -3.884 1.00 0.00 C ATOM 773 CG PRO A 52 4.382 -1.409 -4.216 1.00 0.00 C ATOM 774 CD PRO A 52 4.187 -1.570 -5.751 1.00 0.00 C ATOM 0 HA PRO A 52 3.671 1.675 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.516 0.442 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.911 0.138 -3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.417 -1.600 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.764 -2.120 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.972 -2.178 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.237 -2.045 -5.995 1.00 0.00 H new ATOM 782 N LEU A 53 5.874 2.690 -4.975 1.00 0.00 N ATOM 783 CA LEU A 53 7.223 3.301 -4.847 1.00 0.00 C ATOM 784 C LEU A 53 7.920 2.706 -3.621 1.00 0.00 C ATOM 785 O LEU A 53 7.305 2.490 -2.596 1.00 0.00 O ATOM 786 CB LEU A 53 7.081 4.816 -4.667 1.00 0.00 C ATOM 787 CG LEU A 53 7.766 5.539 -5.828 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.390 7.017 -5.807 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.283 5.397 -5.691 1.00 0.00 C ATOM 0 H LEU A 53 5.098 3.352 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 53 7.810 3.098 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.027 5.090 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.527 5.123 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 53 7.441 5.098 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.880 7.529 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.309 7.119 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.712 7.461 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.773 5.912 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.606 5.837 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.553 4.341 -5.710 1.00 0.00 H new ATOM 801 N VAL A 54 9.195 2.439 -3.710 1.00 0.00 N ATOM 802 CA VAL A 54 9.914 1.860 -2.545 1.00 0.00 C ATOM 803 C VAL A 54 9.769 2.798 -1.346 1.00 0.00 C ATOM 804 O VAL A 54 9.624 2.367 -0.220 1.00 0.00 O ATOM 805 CB VAL A 54 11.392 1.692 -2.899 1.00 0.00 C ATOM 806 CG1 VAL A 54 12.065 0.781 -1.874 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.513 1.063 -4.289 1.00 0.00 C ATOM 0 H VAL A 54 9.767 2.598 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 54 9.491 0.887 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 54 11.878 2.668 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.118 0.663 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.979 1.224 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.579 -0.195 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.566 0.942 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.025 0.088 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.034 1.710 -5.024 1.00 0.00 H new ATOM 817 N GLU A 55 9.798 4.082 -1.581 1.00 0.00 N ATOM 818 CA GLU A 55 9.653 5.046 -0.456 1.00 0.00 C ATOM 819 C GLU A 55 8.217 4.989 0.063 1.00 0.00 C ATOM 820 O GLU A 55 7.965 5.132 1.243 1.00 0.00 O ATOM 821 CB GLU A 55 9.966 6.461 -0.946 1.00 0.00 C ATOM 822 CG GLU A 55 9.231 6.721 -2.263 1.00 0.00 C ATOM 823 CD GLU A 55 9.131 8.228 -2.502 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.581 8.976 -1.650 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.604 8.611 -3.535 1.00 0.00 O ATOM 0 H GLU A 55 9.916 4.503 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 55 10.346 4.785 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.661 7.192 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.040 6.579 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.762 6.246 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.235 6.280 -2.229 1.00 0.00 H new ATOM 832 N GLU A 56 7.271 4.767 -0.810 1.00 0.00 N ATOM 833 CA GLU A 56 5.855 4.686 -0.363 1.00 0.00 C ATOM 834 C GLU A 56 5.664 3.388 0.419 1.00 0.00 C ATOM 835 O GLU A 56 4.784 3.269 1.247 1.00 0.00 O ATOM 836 CB GLU A 56 4.930 4.693 -1.582 1.00 0.00 C ATOM 837 CG GLU A 56 3.697 5.548 -1.284 1.00 0.00 C ATOM 838 CD GLU A 56 3.712 6.793 -2.174 1.00 0.00 C ATOM 839 OE1 GLU A 56 4.774 7.374 -2.328 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.662 7.143 -2.686 1.00 0.00 O ATOM 0 H GLU A 56 7.420 4.639 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 56 5.614 5.541 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.458 5.088 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.628 3.675 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.790 4.971 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.688 5.839 -0.234 1.00 0.00 H new ATOM 847 N LEU A 57 6.494 2.414 0.162 1.00 0.00 N ATOM 848 CA LEU A 57 6.378 1.122 0.889 1.00 0.00 C ATOM 849 C LEU A 57 6.887 1.302 2.318 1.00 0.00 C ATOM 850 O LEU A 57 6.329 0.772 3.258 1.00 0.00 O ATOM 851 CB LEU A 57 7.218 0.061 0.176 1.00 0.00 C ATOM 852 CG LEU A 57 6.324 -1.113 -0.225 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.634 -1.521 -1.665 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.589 -2.296 0.707 1.00 0.00 C ATOM 0 H LEU A 57 7.249 2.459 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 57 5.336 0.804 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.691 0.490 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.018 -0.285 0.830 1.00 0.00 H new ATOM 0 HG LEU A 57 5.278 -0.816 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.997 -2.358 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.447 -0.678 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.680 -1.818 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.952 -3.133 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.635 -2.593 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.369 -2.006 1.734 1.00 0.00 H new ATOM 866 N TYR A 58 7.942 2.050 2.492 1.00 0.00 N ATOM 867 CA TYR A 58 8.483 2.268 3.863 1.00 0.00 C ATOM 868 C TYR A 58 7.449 3.028 4.696 1.00 0.00 C ATOM 869 O TYR A 58 7.156 2.669 5.819 1.00 0.00 O ATOM 870 CB TYR A 58 9.774 3.084 3.779 1.00 0.00 C ATOM 871 CG TYR A 58 10.457 3.087 5.126 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.973 3.903 6.155 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.575 2.272 5.345 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.607 3.904 7.404 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.208 2.274 6.593 1.00 0.00 C ATOM 876 CZ TYR A 58 11.724 3.091 7.622 1.00 0.00 C ATOM 877 OH TYR A 58 12.349 3.093 8.853 1.00 0.00 O ATOM 0 H TYR A 58 8.452 2.519 1.744 1.00 0.00 H new ATOM 0 HA TYR A 58 8.695 1.307 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.436 2.660 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.552 4.105 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.111 4.532 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.948 1.642 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.233 4.533 8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.070 1.645 6.762 1.00 0.00 H new ATOM 0 HH TYR A 58 13.107 2.472 8.836 1.00 0.00 H new ATOM 887 N ARG A 59 6.892 4.075 4.152 1.00 0.00 N ATOM 888 CA ARG A 59 5.874 4.855 4.909 1.00 0.00 C ATOM 889 C ARG A 59 4.595 4.026 5.041 1.00 0.00 C ATOM 890 O ARG A 59 3.852 4.157 5.993 1.00 0.00 O ATOM 891 CB ARG A 59 5.565 6.153 4.159 1.00 0.00 C ATOM 892 CG ARG A 59 4.664 7.041 5.019 1.00 0.00 C ATOM 893 CD ARG A 59 3.536 7.609 4.157 1.00 0.00 C ATOM 894 NE ARG A 59 2.387 7.986 5.026 1.00 0.00 N ATOM 895 CZ ARG A 59 2.320 9.185 5.536 1.00 0.00 C ATOM 896 NH1 ARG A 59 3.343 9.679 6.180 1.00 0.00 N ATOM 897 NH2 ARG A 59 1.232 9.892 5.400 1.00 0.00 N ATOM 0 H ARG A 59 7.098 4.424 3.216 1.00 0.00 H new ATOM 0 HA ARG A 59 6.259 5.092 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.491 6.678 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.075 5.929 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.249 6.464 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.246 7.852 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.889 8.480 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.221 6.871 3.420 1.00 0.00 H new ATOM 0 HE ARG A 59 1.652 7.307 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.195 9.127 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.290 10.616 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.434 9.507 4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.180 10.829 5.799 1.00 0.00 H new ATOM 911 N PHE A 60 4.336 3.169 4.091 1.00 0.00 N ATOM 912 CA PHE A 60 3.108 2.328 4.158 1.00 0.00 C ATOM 913 C PHE A 60 3.491 0.906 4.574 1.00 0.00 C ATOM 914 O PHE A 60 2.709 -0.017 4.460 1.00 0.00 O ATOM 915 CB PHE A 60 2.436 2.294 2.784 1.00 0.00 C ATOM 916 CG PHE A 60 1.722 3.603 2.540 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.672 3.993 3.380 1.00 0.00 C ATOM 918 CD2 PHE A 60 2.110 4.426 1.476 1.00 0.00 C ATOM 919 CE1 PHE A 60 0.011 5.206 3.156 1.00 0.00 C ATOM 920 CE2 PHE A 60 1.449 5.639 1.253 1.00 0.00 C ATOM 921 CZ PHE A 60 0.398 6.030 2.093 1.00 0.00 C ATOM 0 H PHE A 60 4.923 3.015 3.271 1.00 0.00 H new ATOM 0 HA PHE A 60 2.417 2.749 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.181 2.124 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.728 1.467 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.372 3.358 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.919 4.125 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.799 5.507 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.749 6.274 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.113 6.966 1.920 1.00 0.00 H new ATOM 931 N ARG A 61 4.690 0.723 5.055 1.00 0.00 N ATOM 932 CA ARG A 61 5.125 -0.638 5.476 1.00 0.00 C ATOM 933 C ARG A 61 4.345 -1.061 6.723 1.00 0.00 C ATOM 934 O ARG A 61 3.976 -2.207 6.876 1.00 0.00 O ATOM 935 CB ARG A 61 6.623 -0.619 5.794 1.00 0.00 C ATOM 936 CG ARG A 61 7.130 -2.053 5.950 1.00 0.00 C ATOM 937 CD ARG A 61 7.341 -2.360 7.435 1.00 0.00 C ATOM 938 NE ARG A 61 8.769 -2.716 7.670 1.00 0.00 N ATOM 939 CZ ARG A 61 9.202 -2.900 8.886 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.785 -3.924 9.580 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.055 -2.062 9.410 1.00 0.00 N ATOM 0 H ARG A 61 5.387 1.458 5.175 1.00 0.00 H new ATOM 0 HA ARG A 61 4.933 -1.346 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.168 -0.114 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.804 -0.056 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.412 -2.753 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.065 -2.181 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.066 -1.495 8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.695 -3.182 7.743 1.00 0.00 H new ATOM 0 HE ARG A 61 9.407 -2.816 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.120 -4.581 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.124 -4.068 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.383 -1.263 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.393 -2.207 10.361 1.00 0.00 H new ATOM 955 N ASP A 62 4.093 -0.143 7.614 1.00 0.00 N ATOM 956 CA ASP A 62 3.337 -0.493 8.850 1.00 0.00 C ATOM 957 C ASP A 62 1.862 -0.713 8.504 1.00 0.00 C ATOM 958 O ASP A 62 1.061 -1.050 9.353 1.00 0.00 O ATOM 959 CB ASP A 62 3.459 0.648 9.862 1.00 0.00 C ATOM 960 CG ASP A 62 2.701 1.872 9.346 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.531 1.975 8.143 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.304 2.687 10.164 1.00 0.00 O ATOM 0 H ASP A 62 4.377 0.834 7.540 1.00 0.00 H new ATOM 0 HA ASP A 62 3.748 -1.406 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.056 0.338 10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.508 0.897 10.020 1.00 0.00 H new ATOM 967 N ARG A 63 1.496 -0.523 7.266 1.00 0.00 N ATOM 968 CA ARG A 63 0.072 -0.721 6.872 1.00 0.00 C ATOM 969 C ARG A 63 -0.014 -1.762 5.753 1.00 0.00 C ATOM 970 O ARG A 63 -1.077 -2.045 5.238 1.00 0.00 O ATOM 971 CB ARG A 63 -0.509 0.604 6.378 1.00 0.00 C ATOM 972 CG ARG A 63 -2.035 0.543 6.429 1.00 0.00 C ATOM 973 CD ARG A 63 -2.619 1.579 5.467 1.00 0.00 C ATOM 974 NE ARG A 63 -4.103 1.451 5.442 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.761 1.248 6.550 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.333 1.770 7.667 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.846 0.525 6.542 1.00 0.00 N ATOM 0 H ARG A 63 2.120 -0.240 6.511 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.495 -1.070 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.147 1.425 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.176 0.802 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.379 -0.455 6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.384 0.736 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.335 2.583 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.213 1.431 4.466 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.605 1.522 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.485 2.336 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.847 1.612 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.181 0.118 5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.360 0.367 7.409 1.00 0.00 H new ATOM 991 N LEU A 64 1.095 -2.335 5.372 1.00 0.00 N ATOM 992 CA LEU A 64 1.069 -3.354 4.288 1.00 0.00 C ATOM 993 C LEU A 64 0.964 -4.753 4.915 1.00 0.00 C ATOM 994 O LEU A 64 1.108 -4.903 6.111 1.00 0.00 O ATOM 995 CB LEU A 64 2.348 -3.213 3.433 1.00 0.00 C ATOM 996 CG LEU A 64 3.381 -4.289 3.797 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.666 -4.053 3.004 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.687 -4.216 5.294 1.00 0.00 C ATOM 0 H LEU A 64 2.016 -2.141 5.765 1.00 0.00 H new ATOM 0 HA LEU A 64 0.205 -3.205 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.093 -3.293 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.781 -2.224 3.582 1.00 0.00 H new ATOM 0 HG LEU A 64 2.980 -5.273 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.399 -4.817 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.450 -4.104 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.067 -3.069 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.420 -4.980 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.087 -3.231 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.772 -4.385 5.861 1.00 0.00 H new ATOM 1010 N PRO A 65 0.715 -5.735 4.085 1.00 0.00 N ATOM 1011 CA PRO A 65 0.590 -7.112 4.540 1.00 0.00 C ATOM 1012 C PRO A 65 1.958 -7.662 4.951 1.00 0.00 C ATOM 1013 O PRO A 65 2.351 -7.583 6.097 1.00 0.00 O ATOM 1014 CB PRO A 65 0.042 -7.864 3.333 1.00 0.00 C ATOM 1015 CG PRO A 65 0.499 -6.997 2.120 1.00 0.00 C ATOM 1016 CD PRO A 65 0.544 -5.532 2.640 1.00 0.00 C ATOM 0 HA PRO A 65 -0.057 -7.209 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.443 -8.876 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.044 -7.953 3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.477 -7.314 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.196 -7.095 1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.369 -4.968 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.371 -4.987 2.408 1.00 0.00 H new ATOM 1024 N GLU A 66 2.682 -8.224 4.024 1.00 0.00 N ATOM 1025 CA GLU A 66 4.020 -8.784 4.360 1.00 0.00 C ATOM 1026 C GLU A 66 4.663 -9.373 3.102 1.00 0.00 C ATOM 1027 O GLU A 66 5.868 -9.409 2.970 1.00 0.00 O ATOM 1028 CB GLU A 66 3.849 -9.885 5.404 1.00 0.00 C ATOM 1029 CG GLU A 66 5.161 -10.077 6.167 1.00 0.00 C ATOM 1030 CD GLU A 66 5.138 -11.423 6.894 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.458 -11.516 7.903 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.799 -12.337 6.429 1.00 0.00 O ATOM 0 H GLU A 66 2.404 -8.320 3.047 1.00 0.00 H new ATOM 0 HA GLU A 66 4.659 -7.994 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.049 -9.623 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.558 -10.817 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.004 -10.039 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.299 -9.267 6.884 1.00 0.00 H new ATOM 1039 N LYS A 67 3.871 -9.836 2.174 1.00 0.00 N ATOM 1040 CA LYS A 67 4.428 -10.428 0.932 1.00 0.00 C ATOM 1041 C LYS A 67 5.191 -9.378 0.109 1.00 0.00 C ATOM 1042 O LYS A 67 5.716 -9.679 -0.945 1.00 0.00 O ATOM 1043 CB LYS A 67 3.273 -10.981 0.101 1.00 0.00 C ATOM 1044 CG LYS A 67 2.223 -11.607 1.023 1.00 0.00 C ATOM 1045 CD LYS A 67 1.472 -12.707 0.271 1.00 0.00 C ATOM 1046 CE LYS A 67 0.300 -12.093 -0.497 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.662 -11.966 -1.937 1.00 0.00 N ATOM 0 H LYS A 67 2.852 -9.828 2.227 1.00 0.00 H new ATOM 0 HA LYS A 67 5.127 -11.220 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.823 -10.183 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.644 -11.727 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.703 -12.021 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.524 -10.844 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.146 -13.216 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.107 -13.458 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.587 -12.717 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.054 -11.114 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.134 -11.549 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.497 -11.354 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.876 -12.907 -2.325 1.00 0.00 H new ATOM 1061 N LEU A 68 5.264 -8.153 0.563 1.00 0.00 N ATOM 1062 CA LEU A 68 5.999 -7.119 -0.222 1.00 0.00 C ATOM 1063 C LEU A 68 7.096 -6.499 0.644 1.00 0.00 C ATOM 1064 O LEU A 68 7.623 -5.450 0.334 1.00 0.00 O ATOM 1065 CB LEU A 68 5.035 -6.017 -0.670 1.00 0.00 C ATOM 1066 CG LEU A 68 3.639 -6.601 -0.890 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.703 -6.099 0.209 1.00 0.00 C ATOM 1068 CD2 LEU A 68 3.112 -6.150 -2.254 1.00 0.00 C ATOM 0 H LEU A 68 4.850 -7.827 1.436 1.00 0.00 H new ATOM 0 HA LEU A 68 6.442 -7.592 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.994 -5.230 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.396 -5.559 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 68 3.687 -7.690 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.707 -6.513 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.081 -6.414 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.653 -5.011 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.117 -6.564 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.061 -5.062 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.783 -6.502 -3.038 1.00 0.00 H new ATOM 1080 N ARG A 69 7.446 -7.134 1.728 1.00 0.00 N ATOM 1081 CA ARG A 69 8.507 -6.573 2.609 1.00 0.00 C ATOM 1082 C ARG A 69 9.818 -6.467 1.828 1.00 0.00 C ATOM 1083 O ARG A 69 10.382 -5.401 1.686 1.00 0.00 O ATOM 1084 CB ARG A 69 8.706 -7.491 3.817 1.00 0.00 C ATOM 1085 CG ARG A 69 8.510 -6.691 5.106 1.00 0.00 C ATOM 1086 CD ARG A 69 7.225 -7.144 5.799 1.00 0.00 C ATOM 1087 NE ARG A 69 7.543 -7.617 7.175 1.00 0.00 N ATOM 1088 CZ ARG A 69 7.821 -8.875 7.384 1.00 0.00 C ATOM 1089 NH1 ARG A 69 8.844 -9.425 6.788 1.00 0.00 N ATOM 1090 NH2 ARG A 69 7.078 -9.583 8.190 1.00 0.00 N ATOM 0 H ARG A 69 7.043 -8.017 2.041 1.00 0.00 H new ATOM 0 HA ARG A 69 8.207 -5.582 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.997 -8.318 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.705 -7.926 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.363 -6.835 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.458 -5.626 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.512 -6.320 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.754 -7.944 5.228 1.00 0.00 H new ATOM 0 HE ARG A 69 7.544 -6.958 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.426 -8.872 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.061 -10.408 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.279 -9.153 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.296 -10.566 8.353 1.00 0.00 H new ATOM 1104 N TYR A 70 10.305 -7.564 1.317 1.00 0.00 N ATOM 1105 CA TYR A 70 11.578 -7.523 0.544 1.00 0.00 C ATOM 1106 C TYR A 70 11.560 -6.325 -0.407 1.00 0.00 C ATOM 1107 O TYR A 70 12.591 -5.790 -0.771 1.00 0.00 O ATOM 1108 CB TYR A 70 11.723 -8.811 -0.266 1.00 0.00 C ATOM 1109 CG TYR A 70 10.427 -9.106 -0.982 1.00 0.00 C ATOM 1110 CD1 TYR A 70 10.179 -8.542 -2.240 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.476 -9.947 -0.392 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.979 -8.817 -2.906 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.276 -10.222 -1.058 1.00 0.00 C ATOM 1114 CZ TYR A 70 8.028 -9.657 -2.316 1.00 0.00 C ATOM 1115 OH TYR A 70 6.845 -9.930 -2.972 1.00 0.00 O ATOM 0 H TYR A 70 9.877 -8.486 1.401 1.00 0.00 H new ATOM 0 HA TYR A 70 12.417 -7.428 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.534 -8.710 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.983 -9.640 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.914 -7.895 -2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.668 -10.384 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.787 -8.381 -3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.541 -10.869 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 70 6.095 -9.555 -2.464 1.00 0.00 H new ATOM 1125 N LEU A 71 10.394 -5.899 -0.808 1.00 0.00 N ATOM 1126 CA LEU A 71 10.300 -4.734 -1.730 1.00 0.00 C ATOM 1127 C LEU A 71 10.442 -3.444 -0.922 1.00 0.00 C ATOM 1128 O LEU A 71 11.153 -2.535 -1.303 1.00 0.00 O ATOM 1129 CB LEU A 71 8.942 -4.754 -2.436 1.00 0.00 C ATOM 1130 CG LEU A 71 9.097 -5.378 -3.823 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.828 -6.156 -4.177 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.317 -4.270 -4.852 1.00 0.00 C ATOM 0 H LEU A 71 9.501 -6.309 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 71 11.094 -4.786 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.223 -5.324 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.551 -3.740 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 71 9.951 -6.056 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.938 -6.601 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.667 -6.943 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.974 -5.479 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.428 -4.710 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.461 -3.595 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.219 -3.713 -4.599 1.00 0.00 H new ATOM 1144 N ALA A 72 9.781 -3.364 0.200 1.00 0.00 N ATOM 1145 CA ALA A 72 9.886 -2.140 1.040 1.00 0.00 C ATOM 1146 C ALA A 72 11.328 -1.995 1.531 1.00 0.00 C ATOM 1147 O ALA A 72 11.723 -0.965 2.037 1.00 0.00 O ATOM 1148 CB ALA A 72 8.945 -2.264 2.241 1.00 0.00 C ATOM 0 H ALA A 72 9.173 -4.094 0.571 1.00 0.00 H new ATOM 0 HA ALA A 72 9.608 -1.264 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.021 -1.368 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.919 -2.377 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.223 -3.136 2.833 1.00 0.00 H new ATOM 1154 N ASP A 73 12.117 -3.025 1.378 1.00 0.00 N ATOM 1155 CA ASP A 73 13.535 -2.954 1.829 1.00 0.00 C ATOM 1156 C ASP A 73 14.395 -2.397 0.695 1.00 0.00 C ATOM 1157 O ASP A 73 15.368 -1.705 0.920 1.00 0.00 O ATOM 1158 CB ASP A 73 14.026 -4.357 2.193 1.00 0.00 C ATOM 1159 CG ASP A 73 13.717 -4.642 3.664 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.604 -5.051 3.946 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.600 -4.444 4.482 1.00 0.00 O ATOM 0 H ASP A 73 11.839 -3.913 0.960 1.00 0.00 H new ATOM 0 HA ASP A 73 13.609 -2.305 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.541 -5.099 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.098 -4.436 2.014 1.00 0.00 H new ATOM 1166 N ALA A 74 14.043 -2.696 -0.525 1.00 0.00 N ATOM 1167 CA ALA A 74 14.838 -2.188 -1.676 1.00 0.00 C ATOM 1168 C ALA A 74 15.058 -0.679 -1.515 1.00 0.00 C ATOM 1169 O ALA A 74 14.434 -0.049 -0.686 1.00 0.00 O ATOM 1170 CB ALA A 74 14.078 -2.457 -2.976 1.00 0.00 C ATOM 0 H ALA A 74 13.238 -3.271 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 74 15.802 -2.695 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.659 -2.086 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.918 -3.529 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.115 -1.948 -2.946 1.00 0.00 H new ATOM 1176 N PRO A 75 15.943 -0.147 -2.321 1.00 0.00 N ATOM 1177 CA PRO A 75 16.259 1.276 -2.292 1.00 0.00 C ATOM 1178 C PRO A 75 15.072 2.105 -2.793 1.00 0.00 C ATOM 1179 O PRO A 75 14.266 1.644 -3.577 1.00 0.00 O ATOM 1180 CB PRO A 75 17.451 1.423 -3.234 1.00 0.00 C ATOM 1181 CG PRO A 75 17.325 0.188 -4.178 1.00 0.00 C ATOM 1182 CD PRO A 75 16.688 -0.935 -3.314 1.00 0.00 C ATOM 0 HA PRO A 75 16.479 1.630 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.409 2.359 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.395 1.417 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.703 0.418 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.300 -0.116 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.035 -1.583 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.440 -1.574 -2.851 1.00 0.00 H new ATOM 1190 N GLN A 76 14.966 3.327 -2.349 1.00 0.00 N ATOM 1191 CA GLN A 76 13.838 4.193 -2.798 1.00 0.00 C ATOM 1192 C GLN A 76 14.405 5.506 -3.339 1.00 0.00 C ATOM 1193 O GLN A 76 13.867 6.568 -3.102 1.00 0.00 O ATOM 1194 CB GLN A 76 12.910 4.496 -1.617 1.00 0.00 C ATOM 1195 CG GLN A 76 12.969 3.354 -0.597 1.00 0.00 C ATOM 1196 CD GLN A 76 13.798 3.792 0.611 1.00 0.00 C ATOM 1197 OE1 GLN A 76 14.903 3.326 0.806 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.309 4.676 1.437 1.00 0.00 N ATOM 0 H GLN A 76 15.613 3.765 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 76 13.273 3.678 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.204 5.433 -1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.887 4.625 -1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.962 3.082 -0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.411 2.468 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.381 5.068 1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.854 4.975 2.245 1.00 0.00 H new ATOM 1207 N GLN A 77 15.484 5.435 -4.072 1.00 0.00 N ATOM 1208 CA GLN A 77 16.101 6.667 -4.642 1.00 0.00 C ATOM 1209 C GLN A 77 17.566 6.389 -4.985 1.00 0.00 C ATOM 1210 O GLN A 77 18.170 7.085 -5.778 1.00 0.00 O ATOM 1211 CB GLN A 77 16.042 7.810 -3.621 1.00 0.00 C ATOM 1212 CG GLN A 77 16.434 7.285 -2.237 1.00 0.00 C ATOM 1213 CD GLN A 77 15.460 7.827 -1.190 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.353 8.210 -1.513 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.827 7.877 0.061 1.00 0.00 N ATOM 0 H GLN A 77 15.968 4.567 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 77 15.551 6.953 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.715 8.613 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.037 8.231 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.420 6.195 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.452 7.591 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.756 7.556 0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.185 8.237 0.767 1.00 0.00 H new ATOM 1224 N ASP A 78 18.141 5.380 -4.389 1.00 0.00 N ATOM 1225 CA ASP A 78 19.569 5.052 -4.670 1.00 0.00 C ATOM 1226 C ASP A 78 20.479 6.004 -3.884 1.00 0.00 C ATOM 1227 O ASP A 78 20.025 7.003 -3.364 1.00 0.00 O ATOM 1228 CB ASP A 78 19.847 5.198 -6.169 1.00 0.00 C ATOM 1229 CG ASP A 78 18.632 4.714 -6.961 1.00 0.00 C ATOM 1230 OD1 ASP A 78 18.384 3.519 -6.956 1.00 0.00 O ATOM 1231 OD2 ASP A 78 17.969 5.546 -7.556 1.00 0.00 O ATOM 0 H ASP A 78 17.682 4.766 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 78 19.769 4.025 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.061 6.239 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.729 4.619 -6.445 1.00 0.00 H new ATOM 1236 N PRO A 79 21.743 5.658 -3.820 1.00 0.00 N ATOM 1237 CA PRO A 79 22.736 6.455 -3.107 1.00 0.00 C ATOM 1238 C PRO A 79 22.719 7.915 -3.579 1.00 0.00 C ATOM 1239 O PRO A 79 23.278 8.785 -2.940 1.00 0.00 O ATOM 1240 CB PRO A 79 24.070 5.801 -3.454 1.00 0.00 C ATOM 1241 CG PRO A 79 23.675 4.336 -3.817 1.00 0.00 C ATOM 1242 CD PRO A 79 22.263 4.437 -4.456 1.00 0.00 C ATOM 0 HA PRO A 79 22.544 6.479 -2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.558 6.304 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.763 5.833 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.391 3.897 -4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.661 3.702 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.309 4.527 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.648 3.565 -4.234 1.00 0.00 H new ATOM 1250 N GLU A 80 22.095 8.198 -4.691 1.00 0.00 N ATOM 1251 CA GLU A 80 22.065 9.603 -5.187 1.00 0.00 C ATOM 1252 C GLU A 80 20.855 10.331 -4.599 1.00 0.00 C ATOM 1253 O GLU A 80 20.993 11.254 -3.820 1.00 0.00 O ATOM 1254 CB GLU A 80 21.966 9.602 -6.714 1.00 0.00 C ATOM 1255 CG GLU A 80 22.177 11.023 -7.241 1.00 0.00 C ATOM 1256 CD GLU A 80 23.517 11.104 -7.972 1.00 0.00 C ATOM 1257 OE1 GLU A 80 24.512 10.705 -7.389 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.526 11.563 -9.103 1.00 0.00 O ATOM 0 H GLU A 80 21.607 7.519 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 80 22.978 10.114 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.714 8.931 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.990 9.229 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.366 11.296 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.158 11.735 -6.416 1.00 0.00 H new ATOM 1265 N GLY A 81 19.669 9.927 -4.962 1.00 0.00 N ATOM 1266 CA GLY A 81 18.456 10.602 -4.419 1.00 0.00 C ATOM 1267 C GLY A 81 17.478 10.903 -5.556 1.00 0.00 C ATOM 1268 O GLY A 81 16.804 11.913 -5.558 1.00 0.00 O ATOM 0 H GLY A 81 19.487 9.160 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.977 9.966 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.738 11.527 -3.915 1.00 0.00 H new ATOM 1272 N ASN A 82 17.395 10.033 -6.524 1.00 0.00 N ATOM 1273 CA ASN A 82 16.459 10.266 -7.661 1.00 0.00 C ATOM 1274 C ASN A 82 15.146 9.534 -7.388 1.00 0.00 C ATOM 1275 O ASN A 82 14.326 9.363 -8.267 1.00 0.00 O ATOM 1276 CB ASN A 82 17.069 9.723 -8.960 1.00 0.00 C ATOM 1277 CG ASN A 82 18.595 9.672 -8.845 1.00 0.00 C ATOM 1278 OD1 ASN A 82 19.229 10.665 -8.547 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.214 8.545 -9.073 1.00 0.00 N ATOM 0 H ASN A 82 17.935 9.170 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 82 16.279 11.336 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.679 8.726 -9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.781 10.357 -9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.230 8.498 -9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.681 7.712 -9.323 1.00 0.00 H new ATOM 1286 N LYS A 83 14.946 9.090 -6.177 1.00 0.00 N ATOM 1287 CA LYS A 83 13.699 8.354 -5.848 1.00 0.00 C ATOM 1288 C LYS A 83 13.617 7.107 -6.708 1.00 0.00 C ATOM 1289 O LYS A 83 13.949 7.115 -7.874 1.00 0.00 O ATOM 1290 CB LYS A 83 12.493 9.229 -6.109 1.00 0.00 C ATOM 1291 CG LYS A 83 12.363 10.233 -4.970 1.00 0.00 C ATOM 1292 CD LYS A 83 10.888 10.440 -4.640 1.00 0.00 C ATOM 1293 CE LYS A 83 10.518 11.910 -4.844 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.036 12.060 -4.799 1.00 0.00 N ATOM 0 H LYS A 83 15.597 9.207 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 83 13.712 8.077 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.602 9.749 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.592 8.620 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.896 9.872 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.820 11.181 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.270 9.807 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.691 10.144 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.980 12.523 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.901 12.263 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.784 13.059 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.606 11.487 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.682 11.739 -3.875 1.00 0.00 H new ATOM 1308 N THR A 84 13.194 6.033 -6.132 1.00 0.00 N ATOM 1309 CA THR A 84 13.106 4.767 -6.904 1.00 0.00 C ATOM 1310 C THR A 84 11.796 4.057 -6.568 1.00 0.00 C ATOM 1311 O THR A 84 11.464 3.854 -5.416 1.00 0.00 O ATOM 1312 CB THR A 84 14.300 3.886 -6.535 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.440 4.705 -6.331 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.592 2.910 -7.666 1.00 0.00 C ATOM 0 H THR A 84 12.903 5.970 -5.157 1.00 0.00 H new ATOM 0 HA THR A 84 13.125 4.973 -7.974 1.00 0.00 H new ATOM 0 HB THR A 84 14.068 3.332 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.978 4.726 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.444 2.285 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.719 2.280 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.822 3.465 -8.575 1.00 0.00 H new ATOM 1322 N MET A 85 11.041 3.684 -7.565 1.00 0.00 N ATOM 1323 CA MET A 85 9.752 2.997 -7.285 1.00 0.00 C ATOM 1324 C MET A 85 9.868 1.510 -7.625 1.00 0.00 C ATOM 1325 O MET A 85 10.862 1.059 -8.155 1.00 0.00 O ATOM 1326 CB MET A 85 8.623 3.647 -8.103 1.00 0.00 C ATOM 1327 CG MET A 85 8.537 3.013 -9.489 1.00 0.00 C ATOM 1328 SD MET A 85 7.131 3.707 -10.388 1.00 0.00 S ATOM 1329 CE MET A 85 6.288 2.138 -10.697 1.00 0.00 C ATOM 0 H MET A 85 11.259 3.824 -8.551 1.00 0.00 H new ATOM 0 HA MET A 85 9.517 3.095 -6.225 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.673 3.528 -7.582 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.803 4.718 -8.197 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.459 3.194 -10.041 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.426 1.932 -9.399 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.256 2.331 -10.991 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.799 1.602 -11.497 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.300 1.534 -9.790 1.00 0.00 H new ATOM 1339 N VAL A 86 8.858 0.745 -7.321 1.00 0.00 N ATOM 1340 CA VAL A 86 8.913 -0.709 -7.627 1.00 0.00 C ATOM 1341 C VAL A 86 8.438 -0.949 -9.062 1.00 0.00 C ATOM 1342 O VAL A 86 7.685 -0.174 -9.617 1.00 0.00 O ATOM 1343 CB VAL A 86 8.004 -1.464 -6.657 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.824 -2.903 -7.142 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.641 -1.467 -5.266 1.00 0.00 C ATOM 0 H VAL A 86 7.998 1.064 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 86 9.938 -1.065 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 86 7.031 -0.975 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.176 -3.442 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.372 -2.899 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.795 -3.396 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.996 -2.005 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.613 -1.958 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.769 -0.441 -4.922 1.00 0.00 H new ATOM 1355 N ARG A 87 8.870 -2.022 -9.661 1.00 0.00 N ATOM 1356 CA ARG A 87 8.445 -2.335 -11.056 1.00 0.00 C ATOM 1357 C ARG A 87 8.236 -3.845 -11.173 1.00 0.00 C ATOM 1358 O ARG A 87 8.277 -4.560 -10.192 1.00 0.00 O ATOM 1359 CB ARG A 87 9.529 -1.898 -12.044 1.00 0.00 C ATOM 1360 CG ARG A 87 10.025 -0.501 -11.670 1.00 0.00 C ATOM 1361 CD ARG A 87 9.013 0.537 -12.151 1.00 0.00 C ATOM 1362 NE ARG A 87 9.731 1.759 -12.610 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.440 2.291 -13.765 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.411 3.086 -13.877 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.179 2.030 -14.809 1.00 0.00 N ATOM 0 H ARG A 87 9.504 -2.702 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 87 7.521 -1.804 -11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.357 -2.606 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.131 -1.895 -13.059 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.156 -0.426 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.999 -0.314 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.415 0.127 -12.965 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.324 0.789 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 87 10.450 2.180 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.834 3.291 -13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.184 3.502 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.984 1.410 -14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.951 2.446 -15.712 1.00 0.00 H new ATOM 1379 N PHE A 88 8.019 -4.340 -12.357 1.00 0.00 N ATOM 1380 CA PHE A 88 7.820 -5.807 -12.512 1.00 0.00 C ATOM 1381 C PHE A 88 8.460 -6.285 -13.815 1.00 0.00 C ATOM 1382 O PHE A 88 8.292 -5.687 -14.859 1.00 0.00 O ATOM 1383 CB PHE A 88 6.327 -6.132 -12.539 1.00 0.00 C ATOM 1384 CG PHE A 88 6.150 -7.625 -12.668 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.110 -8.219 -13.936 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.033 -8.417 -11.520 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.952 -9.604 -14.053 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.875 -9.802 -11.639 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.835 -10.396 -12.905 1.00 0.00 C ATOM 0 H PHE A 88 7.971 -3.797 -13.219 1.00 0.00 H new ATOM 0 HA PHE A 88 8.288 -6.314 -11.668 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.847 -5.774 -11.628 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.846 -5.623 -13.374 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.201 -7.608 -14.822 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.065 -7.959 -10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.920 -10.063 -15.030 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.784 -10.413 -10.753 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.714 -11.465 -12.996 1.00 0.00 H new ATOM 1399 N SER A 89 9.186 -7.367 -13.760 1.00 0.00 N ATOM 1400 CA SER A 89 9.829 -7.897 -14.991 1.00 0.00 C ATOM 1401 C SER A 89 9.157 -9.216 -15.373 1.00 0.00 C ATOM 1402 O SER A 89 8.930 -10.070 -14.539 1.00 0.00 O ATOM 1403 CB SER A 89 11.318 -8.136 -14.728 1.00 0.00 C ATOM 1404 OG SER A 89 11.528 -9.510 -14.428 1.00 0.00 O ATOM 0 H SER A 89 9.361 -7.907 -12.913 1.00 0.00 H new ATOM 0 HA SER A 89 9.720 -7.179 -15.804 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.904 -7.849 -15.601 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.657 -7.515 -13.899 1.00 0.00 H new ATOM 0 HG SER A 89 10.687 -9.911 -14.125 1.00 0.00 H new ATOM 1410 N ARG A 90 8.834 -9.391 -16.625 1.00 0.00 N ATOM 1411 CA ARG A 90 8.174 -10.655 -17.049 1.00 0.00 C ATOM 1412 C ARG A 90 9.245 -11.680 -17.427 1.00 0.00 C ATOM 1413 O ARG A 90 8.991 -12.866 -17.483 1.00 0.00 O ATOM 1414 CB ARG A 90 7.275 -10.387 -18.257 1.00 0.00 C ATOM 1415 CG ARG A 90 6.453 -9.119 -18.011 1.00 0.00 C ATOM 1416 CD ARG A 90 6.093 -8.476 -19.352 1.00 0.00 C ATOM 1417 NE ARG A 90 4.956 -9.217 -19.969 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.784 -9.207 -19.397 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.439 -8.209 -18.631 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.955 -10.197 -19.591 1.00 0.00 N ATOM 0 H ARG A 90 8.999 -8.714 -17.370 1.00 0.00 H new ATOM 0 HA ARG A 90 7.568 -11.042 -16.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.881 -10.272 -19.156 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.612 -11.236 -18.426 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.546 -9.362 -17.457 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.021 -8.417 -17.400 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.823 -7.430 -19.205 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.956 -8.492 -20.018 1.00 0.00 H new ATOM 0 HE ARG A 90 5.095 -9.732 -20.839 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.086 -7.435 -18.479 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.522 -8.202 -18.184 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.224 -10.978 -20.190 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.038 -10.190 -19.144 1.00 0.00 H new ATOM 1434 N LYS A 91 10.444 -11.230 -17.678 1.00 0.00 N ATOM 1435 CA LYS A 91 11.529 -12.181 -18.041 1.00 0.00 C ATOM 1436 C LYS A 91 11.761 -13.140 -16.873 1.00 0.00 C ATOM 1437 O LYS A 91 12.283 -14.224 -17.039 1.00 0.00 O ATOM 1438 CB LYS A 91 12.816 -11.402 -18.327 1.00 0.00 C ATOM 1439 CG LYS A 91 12.735 -10.777 -19.720 1.00 0.00 C ATOM 1440 CD LYS A 91 11.741 -9.614 -19.702 1.00 0.00 C ATOM 1441 CE LYS A 91 12.165 -8.595 -18.642 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.264 -7.244 -19.263 1.00 0.00 N ATOM 0 H LYS A 91 10.717 -10.248 -17.647 1.00 0.00 H new ATOM 0 HA LYS A 91 11.245 -12.744 -18.930 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.958 -10.625 -17.576 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.678 -12.067 -18.265 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.719 -10.423 -20.029 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.422 -11.525 -20.448 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.703 -9.140 -20.683 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.738 -9.982 -19.487 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.442 -8.580 -17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.125 -8.880 -18.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.552 -6.551 -18.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.970 -7.264 -20.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.339 -6.973 -19.654 1.00 0.00 H new ATOM 1456 N THR A 92 11.370 -12.747 -15.689 1.00 0.00 N ATOM 1457 CA THR A 92 11.562 -13.634 -14.508 1.00 0.00 C ATOM 1458 C THR A 92 10.359 -13.501 -13.572 1.00 0.00 C ATOM 1459 O THR A 92 10.375 -13.980 -12.457 1.00 0.00 O ATOM 1460 CB THR A 92 12.830 -13.221 -13.758 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.701 -11.876 -13.318 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.039 -13.343 -14.684 1.00 0.00 C ATOM 0 H THR A 92 10.926 -11.850 -15.491 1.00 0.00 H new ATOM 0 HA THR A 92 11.656 -14.667 -14.843 1.00 0.00 H new ATOM 0 HB THR A 92 12.970 -13.874 -12.897 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.184 -11.365 -13.975 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.940 -13.048 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.138 -14.375 -15.019 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.903 -12.693 -15.548 1.00 0.00 H new ATOM 1470 N LYS A 93 9.317 -12.850 -14.013 1.00 0.00 N ATOM 1471 CA LYS A 93 8.124 -12.685 -13.140 1.00 0.00 C ATOM 1472 C LYS A 93 8.583 -12.270 -11.741 1.00 0.00 C ATOM 1473 O LYS A 93 8.217 -12.872 -10.751 1.00 0.00 O ATOM 1474 CB LYS A 93 7.364 -14.012 -13.056 1.00 0.00 C ATOM 1475 CG LYS A 93 6.580 -14.233 -14.351 1.00 0.00 C ATOM 1476 CD LYS A 93 5.877 -15.591 -14.297 1.00 0.00 C ATOM 1477 CE LYS A 93 5.876 -16.222 -15.690 1.00 0.00 C ATOM 1478 NZ LYS A 93 7.216 -16.812 -15.970 1.00 0.00 N ATOM 0 H LYS A 93 9.242 -12.427 -14.938 1.00 0.00 H new ATOM 0 HA LYS A 93 7.468 -11.920 -13.554 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.062 -14.834 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.684 -14.001 -12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.847 -13.437 -14.485 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.253 -14.194 -15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.384 -16.247 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.854 -15.469 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.108 -16.993 -15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.634 -15.470 -16.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.348 -16.901 -16.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.956 -16.195 -15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.280 -17.752 -15.530 1.00 0.00 H new ATOM 1492 N GLN A 94 9.392 -11.249 -11.652 1.00 0.00 N ATOM 1493 CA GLN A 94 9.881 -10.800 -10.318 1.00 0.00 C ATOM 1494 C GLN A 94 9.624 -9.301 -10.149 1.00 0.00 C ATOM 1495 O GLN A 94 8.956 -8.680 -10.951 1.00 0.00 O ATOM 1496 CB GLN A 94 11.385 -11.069 -10.212 1.00 0.00 C ATOM 1497 CG GLN A 94 11.628 -12.572 -10.048 1.00 0.00 C ATOM 1498 CD GLN A 94 13.027 -12.926 -10.558 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.307 -14.074 -10.843 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.924 -11.987 -10.683 1.00 0.00 N ATOM 0 H GLN A 94 9.735 -10.707 -12.445 1.00 0.00 H new ATOM 0 HA GLN A 94 9.352 -11.348 -9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.894 -10.703 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.802 -10.528 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.530 -12.854 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.876 -13.134 -10.601 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.690 -11.023 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.859 -12.217 -11.020 1.00 0.00 H new ATOM 1509 N GLN A 95 10.152 -8.716 -9.107 1.00 0.00 N ATOM 1510 CA GLN A 95 9.942 -7.257 -8.882 1.00 0.00 C ATOM 1511 C GLN A 95 11.282 -6.526 -8.983 1.00 0.00 C ATOM 1512 O GLN A 95 12.273 -6.944 -8.417 1.00 0.00 O ATOM 1513 CB GLN A 95 9.348 -7.034 -7.488 1.00 0.00 C ATOM 1514 CG GLN A 95 8.362 -5.865 -7.534 1.00 0.00 C ATOM 1515 CD GLN A 95 7.031 -6.343 -8.115 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.962 -7.390 -8.727 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.963 -5.614 -7.946 1.00 0.00 N ATOM 0 H GLN A 95 10.720 -9.186 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 95 9.257 -6.870 -9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.842 -7.937 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.143 -6.825 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.210 -5.464 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.768 -5.057 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.022 -4.735 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.069 -5.923 -8.328 1.00 0.00 H new ATOM 1526 N TYR A 96 11.321 -5.434 -9.696 1.00 0.00 N ATOM 1527 CA TYR A 96 12.595 -4.674 -9.828 1.00 0.00 C ATOM 1528 C TYR A 96 12.312 -3.178 -9.647 1.00 0.00 C ATOM 1529 O TYR A 96 11.394 -2.641 -10.227 1.00 0.00 O ATOM 1530 CB TYR A 96 13.204 -4.933 -11.215 1.00 0.00 C ATOM 1531 CG TYR A 96 12.527 -4.067 -12.253 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.925 -2.735 -12.417 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.504 -4.596 -13.049 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.300 -1.931 -13.377 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.880 -3.791 -14.010 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.277 -2.459 -14.172 1.00 0.00 C ATOM 1537 OH TYR A 96 10.661 -1.667 -15.120 1.00 0.00 O ATOM 0 H TYR A 96 10.525 -5.035 -10.193 1.00 0.00 H new ATOM 0 HA TYR A 96 13.301 -5.000 -9.064 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.273 -4.722 -11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.092 -5.985 -11.479 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.714 -2.328 -11.803 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.197 -5.623 -12.922 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.607 -0.903 -13.504 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.092 -4.198 -14.626 1.00 0.00 H new ATOM 0 HH TYR A 96 9.974 -2.188 -15.585 1.00 0.00 H new ATOM 1547 N VAL A 97 13.088 -2.500 -8.849 1.00 0.00 N ATOM 1548 CA VAL A 97 12.844 -1.041 -8.646 1.00 0.00 C ATOM 1549 C VAL A 97 13.625 -0.244 -9.689 1.00 0.00 C ATOM 1550 O VAL A 97 14.561 -0.734 -10.286 1.00 0.00 O ATOM 1551 CB VAL A 97 13.312 -0.630 -7.248 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.265 -1.042 -6.216 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.641 -1.318 -6.928 1.00 0.00 C ATOM 0 H VAL A 97 13.876 -2.888 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 97 11.778 -0.838 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 97 13.447 0.451 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.600 -0.749 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.319 -0.549 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.128 -2.123 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.972 -1.024 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.508 -2.399 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.390 -1.021 -7.662 1.00 0.00 H new ATOM 1563 N SER A 98 13.246 0.983 -9.915 1.00 0.00 N ATOM 1564 CA SER A 98 13.969 1.812 -10.916 1.00 0.00 C ATOM 1565 C SER A 98 13.874 3.287 -10.519 1.00 0.00 C ATOM 1566 O SER A 98 12.800 3.810 -10.290 1.00 0.00 O ATOM 1567 CB SER A 98 13.340 1.607 -12.294 1.00 0.00 C ATOM 1568 OG SER A 98 14.360 1.288 -13.232 1.00 0.00 O ATOM 0 H SER A 98 12.466 1.447 -9.449 1.00 0.00 H new ATOM 0 HA SER A 98 15.017 1.515 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.602 0.805 -12.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.814 2.510 -12.604 1.00 0.00 H new ATOM 0 HG SER A 98 15.122 1.891 -13.104 1.00 0.00 H new ATOM 1574 N SER A 99 14.988 3.966 -10.437 1.00 0.00 N ATOM 1575 CA SER A 99 14.952 5.407 -10.060 1.00 0.00 C ATOM 1576 C SER A 99 14.141 6.178 -11.105 1.00 0.00 C ATOM 1577 O SER A 99 14.379 6.063 -12.292 1.00 0.00 O ATOM 1578 CB SER A 99 16.375 5.965 -10.024 1.00 0.00 C ATOM 1579 OG SER A 99 16.903 5.993 -11.343 1.00 0.00 O ATOM 0 H SER A 99 15.918 3.585 -10.614 1.00 0.00 H new ATOM 0 HA SER A 99 14.494 5.513 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.373 6.969 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.003 5.348 -9.382 1.00 0.00 H new ATOM 0 HG SER A 99 16.737 6.872 -11.743 1.00 0.00 H new ATOM 1585 N GLU A 100 13.188 6.961 -10.684 1.00 0.00 N ATOM 1586 CA GLU A 100 12.374 7.731 -11.667 1.00 0.00 C ATOM 1587 C GLU A 100 12.291 9.194 -11.226 1.00 0.00 C ATOM 1588 O GLU A 100 11.504 9.552 -10.373 1.00 0.00 O ATOM 1589 CB GLU A 100 10.965 7.139 -11.739 1.00 0.00 C ATOM 1590 CG GLU A 100 10.989 5.860 -12.579 1.00 0.00 C ATOM 1591 CD GLU A 100 9.617 5.187 -12.524 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.685 5.741 -13.083 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.523 4.128 -11.925 1.00 0.00 O ATOM 0 H GLU A 100 12.937 7.102 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 100 12.842 7.674 -12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.600 6.921 -10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.278 7.862 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.249 6.095 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.754 5.180 -12.204 1.00 0.00 H new ATOM 1600 N LYS A 101 13.100 10.042 -11.801 1.00 0.00 N ATOM 1601 CA LYS A 101 13.067 11.481 -11.416 1.00 0.00 C ATOM 1602 C LYS A 101 11.759 12.116 -11.892 1.00 0.00 C ATOM 1603 O LYS A 101 11.602 12.442 -13.051 1.00 0.00 O ATOM 1604 CB LYS A 101 14.244 12.203 -12.045 1.00 0.00 C ATOM 1605 CG LYS A 101 15.099 12.759 -10.916 1.00 0.00 C ATOM 1606 CD LYS A 101 15.594 14.150 -11.290 1.00 0.00 C ATOM 1607 CE LYS A 101 17.105 14.113 -11.524 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.515 15.314 -12.307 1.00 0.00 N ATOM 0 H LYS A 101 13.782 9.800 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 101 13.130 11.564 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.825 11.520 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.897 13.007 -12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.519 12.804 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.946 12.099 -10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.085 14.498 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.356 14.857 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.631 14.090 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.379 13.205 -12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.542 15.290 -12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.022 15.316 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.267 16.174 -11.778 1.00 0.00 H new ATOM 1622 N ASP A 102 10.819 12.295 -11.005 1.00 0.00 N ATOM 1623 CA ASP A 102 9.523 12.909 -11.408 1.00 0.00 C ATOM 1624 C ASP A 102 8.722 11.908 -12.245 1.00 0.00 C ATOM 1625 O ASP A 102 7.680 12.229 -12.783 1.00 0.00 O ATOM 1626 CB ASP A 102 9.790 14.167 -12.236 1.00 0.00 C ATOM 1627 CG ASP A 102 9.014 15.344 -11.645 1.00 0.00 C ATOM 1628 OD1 ASP A 102 9.246 15.661 -10.490 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.198 15.908 -12.357 1.00 0.00 O ATOM 0 H ASP A 102 10.893 12.043 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 102 8.955 13.174 -10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.857 14.389 -12.244 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.490 14.004 -13.271 1.00 0.00 H new ATOM 1634 N GLY A 103 9.198 10.698 -12.361 1.00 0.00 N ATOM 1635 CA GLY A 103 8.463 9.682 -13.165 1.00 0.00 C ATOM 1636 C GLY A 103 8.957 9.725 -14.611 1.00 0.00 C ATOM 1637 O GLY A 103 8.193 9.570 -15.543 1.00 0.00 O ATOM 0 H GLY A 103 10.064 10.370 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.618 8.688 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.392 9.879 -13.129 1.00 0.00 H new ATOM 1641 N LYS A 104 10.230 9.936 -14.806 1.00 0.00 N ATOM 1642 CA LYS A 104 10.773 9.991 -16.192 1.00 0.00 C ATOM 1643 C LYS A 104 11.781 8.857 -16.392 1.00 0.00 C ATOM 1644 O LYS A 104 12.620 8.908 -17.270 1.00 0.00 O ATOM 1645 CB LYS A 104 11.468 11.337 -16.415 1.00 0.00 C ATOM 1646 CG LYS A 104 12.787 11.367 -15.640 1.00 0.00 C ATOM 1647 CD LYS A 104 13.222 12.819 -15.430 1.00 0.00 C ATOM 1648 CE LYS A 104 13.968 13.313 -16.669 1.00 0.00 C ATOM 1649 NZ LYS A 104 14.957 12.285 -17.098 1.00 0.00 N ATOM 0 H LYS A 104 10.917 10.073 -14.065 1.00 0.00 H new ATOM 0 HA LYS A 104 9.957 9.881 -16.906 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.655 11.490 -17.478 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.822 12.151 -16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.667 10.869 -14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.555 10.821 -16.188 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.351 13.447 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.864 12.894 -14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.262 13.513 -17.475 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.476 14.252 -16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.751 12.749 -17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.312 11.776 -16.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.499 11.612 -17.745 1.00 0.00 H new ATOM 1663 N ALA A 105 11.708 7.835 -15.584 1.00 0.00 N ATOM 1664 CA ALA A 105 12.666 6.703 -15.729 1.00 0.00 C ATOM 1665 C ALA A 105 14.075 7.257 -15.943 1.00 0.00 C ATOM 1666 O ALA A 105 14.534 7.404 -17.058 1.00 0.00 O ATOM 1667 CB ALA A 105 12.265 5.846 -16.933 1.00 0.00 C ATOM 0 H ALA A 105 11.027 7.735 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 105 12.648 6.091 -14.827 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.966 5.018 -17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.259 5.454 -16.782 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.284 6.456 -17.836 1.00 0.00 H new ATOM 1673 N THR A 106 14.764 7.570 -14.880 1.00 0.00 N ATOM 1674 CA THR A 106 16.140 8.120 -15.018 1.00 0.00 C ATOM 1675 C THR A 106 17.043 7.085 -15.700 1.00 0.00 C ATOM 1676 O THR A 106 17.075 6.978 -16.909 1.00 0.00 O ATOM 1677 CB THR A 106 16.689 8.464 -13.630 1.00 0.00 C ATOM 1678 OG1 THR A 106 15.999 7.704 -12.649 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.488 9.955 -13.358 1.00 0.00 C ATOM 0 H THR A 106 14.432 7.468 -13.921 1.00 0.00 H new ATOM 0 HA THR A 106 16.115 9.023 -15.628 1.00 0.00 H new ATOM 0 HB THR A 106 17.753 8.229 -13.589 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.821 6.805 -12.997 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.878 10.201 -12.370 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.017 10.537 -14.112 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.425 10.192 -13.397 1.00 0.00 H new ATOM 1687 N GLY A 107 17.776 6.321 -14.936 1.00 0.00 N ATOM 1688 CA GLY A 107 18.671 5.297 -15.544 1.00 0.00 C ATOM 1689 C GLY A 107 19.060 4.277 -14.477 1.00 0.00 C ATOM 1690 O GLY A 107 20.083 3.628 -14.563 1.00 0.00 O ATOM 0 H GLY A 107 17.793 6.362 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.166 4.800 -16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.563 5.772 -15.953 1.00 0.00 H new ATOM 1694 N TRP A 108 18.247 4.135 -13.468 1.00 0.00 N ATOM 1695 CA TRP A 108 18.561 3.162 -12.387 1.00 0.00 C ATOM 1696 C TRP A 108 17.470 2.091 -12.341 1.00 0.00 C ATOM 1697 O TRP A 108 16.294 2.393 -12.335 1.00 0.00 O ATOM 1698 CB TRP A 108 18.611 3.899 -11.047 1.00 0.00 C ATOM 1699 CG TRP A 108 19.294 3.049 -10.026 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.628 3.021 -9.808 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.704 2.109 -9.080 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.897 2.126 -8.790 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.744 1.537 -8.309 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.383 1.699 -8.817 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.484 0.595 -7.314 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.119 0.750 -7.817 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.168 0.200 -7.067 1.00 0.00 C ATOM 0 H TRP A 108 17.377 4.652 -13.346 1.00 0.00 H new ATOM 0 HA TRP A 108 19.525 2.691 -12.581 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.142 4.844 -11.161 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.601 4.139 -10.716 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.364 3.603 -10.343 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.833 1.925 -8.437 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.568 2.117 -9.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.295 0.174 -6.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.102 0.442 -7.624 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.958 -0.529 -6.298 1.00 0.00 H new ATOM 1718 N SER A 109 17.849 0.844 -12.315 1.00 0.00 N ATOM 1719 CA SER A 109 16.827 -0.241 -12.273 1.00 0.00 C ATOM 1720 C SER A 109 17.399 -1.463 -11.550 1.00 0.00 C ATOM 1721 O SER A 109 18.080 -2.280 -12.136 1.00 0.00 O ATOM 1722 CB SER A 109 16.440 -0.638 -13.698 1.00 0.00 C ATOM 1723 OG SER A 109 17.569 -1.203 -14.350 1.00 0.00 O ATOM 0 H SER A 109 18.819 0.529 -12.321 1.00 0.00 H new ATOM 0 HA SER A 109 15.947 0.120 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.620 -1.356 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.087 0.234 -14.248 1.00 0.00 H new ATOM 0 HG SER A 109 17.834 -2.026 -13.890 1.00 0.00 H new ATOM 1729 N ALA A 110 17.124 -1.597 -10.281 1.00 0.00 N ATOM 1730 CA ALA A 110 17.648 -2.771 -9.528 1.00 0.00 C ATOM 1731 C ALA A 110 16.642 -3.916 -9.618 1.00 0.00 C ATOM 1732 O ALA A 110 15.457 -3.703 -9.784 1.00 0.00 O ATOM 1733 CB ALA A 110 17.852 -2.391 -8.062 1.00 0.00 C ATOM 0 H ALA A 110 16.560 -0.946 -9.735 1.00 0.00 H new ATOM 0 HA ALA A 110 18.600 -3.082 -9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.235 -3.251 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.566 -1.570 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.900 -2.080 -7.631 1.00 0.00 H new ATOM 1739 N PHE A 111 17.102 -5.130 -9.511 1.00 0.00 N ATOM 1740 CA PHE A 111 16.168 -6.286 -9.592 1.00 0.00 C ATOM 1741 C PHE A 111 16.226 -7.080 -8.292 1.00 0.00 C ATOM 1742 O PHE A 111 17.208 -7.058 -7.590 1.00 0.00 O ATOM 1743 CB PHE A 111 16.579 -7.199 -10.751 1.00 0.00 C ATOM 1744 CG PHE A 111 16.544 -6.435 -12.050 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.668 -5.714 -12.464 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.392 -6.458 -12.844 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.643 -5.013 -13.674 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.367 -5.759 -14.056 1.00 0.00 C ATOM 1749 CZ PHE A 111 16.491 -5.037 -14.469 1.00 0.00 C ATOM 0 H PHE A 111 18.083 -5.372 -9.371 1.00 0.00 H new ATOM 0 HA PHE A 111 15.155 -5.917 -9.755 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.581 -7.591 -10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.907 -8.055 -10.806 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.556 -5.698 -11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.524 -7.014 -12.522 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.510 -4.455 -13.994 1.00 0.00 H new ATOM 0 HE2 PHE A 111 14.480 -5.777 -14.672 1.00 0.00 H new ATOM 0 HZ PHE A 111 16.470 -4.496 -15.404 1.00 0.00 H new ATOM 1759 N TYR A 112 15.189 -7.794 -7.968 1.00 0.00 N ATOM 1760 CA TYR A 112 15.220 -8.593 -6.715 1.00 0.00 C ATOM 1761 C TYR A 112 15.499 -10.053 -7.066 1.00 0.00 C ATOM 1762 O TYR A 112 14.639 -10.758 -7.556 1.00 0.00 O ATOM 1763 CB TYR A 112 13.880 -8.489 -5.990 1.00 0.00 C ATOM 1764 CG TYR A 112 14.077 -8.872 -4.545 1.00 0.00 C ATOM 1765 CD1 TYR A 112 15.144 -8.328 -3.820 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.203 -9.775 -3.930 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.337 -8.685 -2.481 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.395 -10.133 -2.591 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.462 -9.587 -1.866 1.00 0.00 C ATOM 1770 OH TYR A 112 14.651 -9.940 -0.546 1.00 0.00 O ATOM 0 H TYR A 112 14.328 -7.860 -8.511 1.00 0.00 H new ATOM 0 HA TYR A 112 16.003 -8.210 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.490 -7.474 -6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.146 -9.146 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.819 -7.632 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.380 -10.196 -4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.161 -8.265 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.721 -10.830 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 112 13.955 -10.574 -0.274 1.00 0.00 H new ATOM 1780 N VAL A 113 16.694 -10.515 -6.820 1.00 0.00 N ATOM 1781 CA VAL A 113 17.017 -11.924 -7.144 1.00 0.00 C ATOM 1782 C VAL A 113 16.689 -12.788 -5.926 1.00 0.00 C ATOM 1783 O VAL A 113 15.740 -12.528 -5.223 1.00 0.00 O ATOM 1784 CB VAL A 113 18.500 -12.044 -7.510 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.705 -13.280 -8.386 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.946 -10.802 -8.292 1.00 0.00 C ATOM 0 H VAL A 113 17.456 -9.976 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 113 16.429 -12.262 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 113 19.088 -12.130 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.759 -13.369 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.391 -14.169 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.111 -13.184 -9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.001 -10.894 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.356 -10.715 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.798 -9.913 -7.679 1.00 0.00 H new ATOM 1796 N ASP A 114 17.473 -13.788 -5.647 1.00 0.00 N ATOM 1797 CA ASP A 114 17.187 -14.644 -4.457 1.00 0.00 C ATOM 1798 C ASP A 114 17.430 -13.791 -3.233 1.00 0.00 C ATOM 1799 O ASP A 114 18.523 -13.756 -2.702 1.00 0.00 O ATOM 1800 CB ASP A 114 18.126 -15.852 -4.445 1.00 0.00 C ATOM 1801 CG ASP A 114 17.426 -17.048 -5.093 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.347 -17.394 -4.640 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.981 -17.597 -6.030 1.00 0.00 O ATOM 0 H ASP A 114 18.297 -14.052 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 114 16.162 -15.013 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.044 -15.618 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.411 -16.095 -3.421 1.00 0.00 H new ATOM 1808 N GLY A 115 16.445 -13.039 -2.813 1.00 0.00 N ATOM 1809 CA GLY A 115 16.681 -12.125 -1.671 1.00 0.00 C ATOM 1810 C GLY A 115 17.967 -11.381 -2.008 1.00 0.00 C ATOM 1811 O GLY A 115 18.723 -10.980 -1.145 1.00 0.00 O ATOM 0 H GLY A 115 15.505 -13.022 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.849 -11.433 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.781 -12.680 -0.738 1.00 0.00 H new ATOM 1815 N LYS A 116 18.237 -11.250 -3.290 1.00 0.00 N ATOM 1816 CA LYS A 116 19.501 -10.594 -3.719 1.00 0.00 C ATOM 1817 C LYS A 116 19.229 -9.426 -4.667 1.00 0.00 C ATOM 1818 O LYS A 116 19.363 -9.557 -5.866 1.00 0.00 O ATOM 1819 CB LYS A 116 20.374 -11.623 -4.439 1.00 0.00 C ATOM 1820 CG LYS A 116 21.340 -12.263 -3.442 1.00 0.00 C ATOM 1821 CD LYS A 116 22.351 -11.218 -2.965 1.00 0.00 C ATOM 1822 CE LYS A 116 22.814 -11.564 -1.548 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.667 -12.785 -1.588 1.00 0.00 N ATOM 0 H LYS A 116 17.634 -11.570 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 116 20.005 -10.208 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.748 -12.389 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.931 -11.143 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 116 20.788 -12.665 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.859 -13.100 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.206 -11.188 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.899 -10.226 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.373 -10.731 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.952 -11.731 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.037 -12.981 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.100 -13.594 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.460 -12.633 -2.243 1.00 0.00 H new ATOM 1837 N TRP A 117 18.874 -8.277 -4.157 1.00 0.00 N ATOM 1838 CA TRP A 117 18.633 -7.129 -5.071 1.00 0.00 C ATOM 1839 C TRP A 117 19.815 -7.019 -6.041 1.00 0.00 C ATOM 1840 O TRP A 117 20.851 -7.620 -5.837 1.00 0.00 O ATOM 1841 CB TRP A 117 18.510 -5.838 -4.263 1.00 0.00 C ATOM 1842 CG TRP A 117 17.082 -5.641 -3.867 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.616 -5.717 -2.601 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.932 -5.335 -4.712 1.00 0.00 C ATOM 1845 NE1 TRP A 117 15.254 -5.485 -2.610 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.785 -5.240 -3.886 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.768 -5.132 -6.098 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.526 -4.954 -4.413 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.504 -4.844 -6.627 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.384 -4.753 -5.789 1.00 0.00 C ATOM 0 H TRP A 117 18.743 -8.087 -3.163 1.00 0.00 H new ATOM 0 HA TRP A 117 17.708 -7.286 -5.625 1.00 0.00 H new ATOM 0 HB2 TRP A 117 19.142 -5.888 -3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.856 -4.990 -4.854 1.00 0.00 H new ATOM 0 HD1 TRP A 117 17.211 -5.925 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.667 -5.494 -1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.622 -5.199 -6.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.666 -4.888 -3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.391 -4.691 -7.690 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.413 -4.528 -6.206 1.00 0.00 H new ATOM 1861 N VAL A 118 19.671 -6.267 -7.097 1.00 0.00 N ATOM 1862 CA VAL A 118 20.791 -6.134 -8.076 1.00 0.00 C ATOM 1863 C VAL A 118 20.714 -4.763 -8.744 1.00 0.00 C ATOM 1864 O VAL A 118 19.806 -3.995 -8.504 1.00 0.00 O ATOM 1865 CB VAL A 118 20.696 -7.223 -9.155 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.950 -8.094 -9.118 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.472 -8.106 -8.913 1.00 0.00 C ATOM 0 H VAL A 118 18.829 -5.739 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 118 21.736 -6.243 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 118 20.606 -6.740 -10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.880 -8.866 -9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.828 -7.476 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 118 22.038 -8.563 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.418 -8.873 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.554 -8.581 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.570 -7.495 -8.945 1.00 0.00 H new ATOM 1877 N GLU A 119 21.660 -4.452 -9.586 1.00 0.00 N ATOM 1878 CA GLU A 119 21.640 -3.132 -10.271 1.00 0.00 C ATOM 1879 C GLU A 119 21.950 -3.323 -11.758 1.00 0.00 C ATOM 1880 O GLU A 119 23.039 -3.710 -12.130 1.00 0.00 O ATOM 1881 CB GLU A 119 22.696 -2.222 -9.643 1.00 0.00 C ATOM 1882 CG GLU A 119 22.316 -1.923 -8.193 1.00 0.00 C ATOM 1883 CD GLU A 119 23.244 -2.694 -7.252 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.331 -3.902 -7.396 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.852 -2.062 -6.403 1.00 0.00 O ATOM 0 H GLU A 119 22.446 -5.056 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 119 20.655 -2.679 -10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.674 -2.702 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.774 -1.293 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.392 -0.853 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.279 -2.207 -8.012 1.00 0.00 H new ATOM 1892 N GLY A 120 21.000 -3.053 -12.611 1.00 0.00 N ATOM 1893 CA GLY A 120 21.241 -3.218 -14.072 1.00 0.00 C ATOM 1894 C GLY A 120 21.181 -1.853 -14.758 1.00 0.00 C ATOM 1895 O GLY A 120 20.125 -1.378 -15.127 1.00 0.00 O ATOM 0 H GLY A 120 20.067 -2.725 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.214 -3.679 -14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.494 -3.885 -14.501 1.00 0.00 H new