USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=23 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 82 ASN : amide:sc= -9.67! C(o=-9.6!,f=-18!) USER MOD Set 1.2: A 106 THR OG1 : rot 150:sc= 0.0277 USER MOD Set 2.1: A 92 THR OG1 : rot 131:sc= 0.69 USER MOD Set 2.2: A 94 GLN : amide:sc= -2.57! C(o=-1.9!,f=-5.8!) USER MOD Set 3.1: A 84 THR OG1 : rot -180:sc= -5.36! USER MOD Set 3.2: A 99 SER OG : rot -46:sc= -0.522 USER MOD Set 4.1: A 23 SER OG : rot -59:sc= 1.01 USER MOD Set 4.2: A 45 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0) USER MOD Set 5.1: A 42 THR OG1 : rot 160:sc= -3.06! USER MOD Set 5.2: A 46 SER OG : rot 150:sc= -1.02 USER MOD Set 6.1: A 26 TYR OH : rot 50:sc= 0.35 USER MOD Set 6.2: A 41 ASN : amide:sc= -0.819 X(o=-0.47,f=-0.63) USER MOD Single : A 20 CYS SG : rot -23:sc= -23.5! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 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 -97:sc= 0.716 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -4.41! C(o=-4.4!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 158:sc= -10.5! (180deg=-12.8!) USER MOD Single : A 89 SER OG : rot 20:sc= 0.916 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.84) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -4.3 K(o=-4.3,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00918 USER MOD Single : A 98 SER OG : rot -54:sc= 1.19 USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= -1.41! (180deg=-3.21!) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0262) USER MOD Single : A 109 SER OG : rot 69:sc= 0.817 USER MOD Single : A 112 TYR OH : rot 0:sc= -1.25! USER MOD Single : A 116 LYS NZ :NH3+ 141:sc= 0.11 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.124 -6.339 -0.064 1.00 0.00 N ATOM 160 CA PRO A 12 -6.886 -7.022 0.278 1.00 0.00 C ATOM 161 C PRO A 12 -5.987 -6.093 1.100 1.00 0.00 C ATOM 162 O PRO A 12 -6.087 -6.028 2.309 1.00 0.00 O ATOM 163 CB PRO A 12 -6.248 -7.344 -1.069 1.00 0.00 C ATOM 164 CG PRO A 12 -6.824 -6.248 -2.022 1.00 0.00 C ATOM 165 CD PRO A 12 -8.224 -5.874 -1.455 1.00 0.00 C ATOM 0 HA PRO A 12 -7.046 -7.917 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.160 -7.299 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.510 -8.347 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.171 -5.376 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.904 -6.622 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.415 -4.803 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.029 -6.372 -1.995 1.00 0.00 H new ATOM 173 N VAL A 13 -5.118 -5.366 0.453 1.00 0.00 N ATOM 174 CA VAL A 13 -4.225 -4.432 1.193 1.00 0.00 C ATOM 175 C VAL A 13 -4.585 -2.999 0.806 1.00 0.00 C ATOM 176 O VAL A 13 -3.882 -2.369 0.044 1.00 0.00 O ATOM 177 CB VAL A 13 -2.767 -4.715 0.825 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.845 -3.868 1.704 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.465 -6.198 1.051 1.00 0.00 C ATOM 0 H VAL A 13 -4.988 -5.379 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.352 -4.569 2.267 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.601 -4.464 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.806 -4.070 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.061 -2.811 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.010 -4.119 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.427 -6.402 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.631 -6.447 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.122 -6.803 0.426 1.00 0.00 H new ATOM 189 N PRO A 14 -5.684 -2.529 1.339 1.00 0.00 N ATOM 190 CA PRO A 14 -6.163 -1.188 1.054 1.00 0.00 C ATOM 191 C PRO A 14 -5.260 -0.149 1.722 1.00 0.00 C ATOM 192 O PRO A 14 -4.867 -0.305 2.861 1.00 0.00 O ATOM 193 CB PRO A 14 -7.568 -1.148 1.647 1.00 0.00 C ATOM 194 CG PRO A 14 -7.525 -2.236 2.764 1.00 0.00 C ATOM 195 CD PRO A 14 -6.514 -3.309 2.269 1.00 0.00 C ATOM 0 HA PRO A 14 -6.162 -0.960 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.804 -0.165 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.326 -1.373 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.207 -1.808 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.511 -2.672 2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.929 -3.728 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.012 -4.143 1.773 1.00 0.00 H new ATOM 203 N LEU A 15 -4.932 0.915 1.035 1.00 0.00 N ATOM 204 CA LEU A 15 -4.061 1.947 1.664 1.00 0.00 C ATOM 205 C LEU A 15 -4.777 3.307 1.707 1.00 0.00 C ATOM 206 O LEU A 15 -4.208 4.311 1.331 1.00 0.00 O ATOM 207 CB LEU A 15 -2.758 2.072 0.873 1.00 0.00 C ATOM 208 CG LEU A 15 -2.038 0.724 0.876 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.494 0.426 -0.521 1.00 0.00 C ATOM 210 CD2 LEU A 15 -0.878 0.770 1.871 1.00 0.00 C ATOM 0 H LEU A 15 -5.226 1.111 0.078 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.839 1.640 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.968 2.383 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.122 2.839 1.315 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.740 -0.058 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.981 -0.536 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.319 0.393 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.794 1.208 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.363 -0.191 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.180 1.555 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.263 0.979 2.869 1.00 0.00 H new ATOM 222 N PRO A 16 -5.998 3.300 2.199 1.00 0.00 N ATOM 223 CA PRO A 16 -6.795 4.506 2.348 1.00 0.00 C ATOM 224 C PRO A 16 -5.932 5.716 2.735 1.00 0.00 C ATOM 225 O PRO A 16 -6.290 6.845 2.465 1.00 0.00 O ATOM 226 CB PRO A 16 -7.784 4.164 3.454 1.00 0.00 C ATOM 227 CG PRO A 16 -7.937 2.608 3.357 1.00 0.00 C ATOM 228 CD PRO A 16 -6.665 2.069 2.628 1.00 0.00 C ATOM 0 HA PRO A 16 -7.285 4.790 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.410 4.468 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.739 4.669 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.029 2.167 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.839 2.343 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.036 1.478 3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.922 1.431 1.782 1.00 0.00 H new ATOM 236 N GLU A 17 -4.797 5.503 3.351 1.00 0.00 N ATOM 237 CA GLU A 17 -3.927 6.658 3.727 1.00 0.00 C ATOM 238 C GLU A 17 -3.149 7.154 2.496 1.00 0.00 C ATOM 239 O GLU A 17 -2.119 7.788 2.618 1.00 0.00 O ATOM 240 CB GLU A 17 -2.939 6.218 4.808 1.00 0.00 C ATOM 241 CG GLU A 17 -3.177 7.033 6.080 1.00 0.00 C ATOM 242 CD GLU A 17 -4.598 6.784 6.589 1.00 0.00 C ATOM 243 OE1 GLU A 17 -5.385 6.227 5.841 1.00 0.00 O ATOM 244 OE2 GLU A 17 -4.875 7.153 7.719 1.00 0.00 O ATOM 0 H GLU A 17 -4.437 4.584 3.609 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.551 7.467 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.061 5.155 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.916 6.359 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.452 6.754 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.033 8.094 5.877 1.00 0.00 H new ATOM 251 N LEU A 18 -3.633 6.877 1.312 1.00 0.00 N ATOM 252 CA LEU A 18 -2.937 7.330 0.078 1.00 0.00 C ATOM 253 C LEU A 18 -3.999 7.736 -0.951 1.00 0.00 C ATOM 254 O LEU A 18 -4.434 6.924 -1.742 1.00 0.00 O ATOM 255 CB LEU A 18 -2.092 6.183 -0.478 1.00 0.00 C ATOM 256 CG LEU A 18 -0.746 6.723 -0.961 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.387 5.973 -0.259 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.631 6.521 -2.472 1.00 0.00 C ATOM 0 H LEU A 18 -4.491 6.350 1.150 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.286 8.176 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.937 5.427 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.617 5.697 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.676 7.786 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.347 6.358 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.305 6.115 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.318 4.910 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.328 6.905 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.701 5.458 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.438 7.055 -2.973 1.00 0.00 H new ATOM 270 N PRO A 19 -4.400 8.982 -0.890 1.00 0.00 N ATOM 271 CA PRO A 19 -5.421 9.510 -1.784 1.00 0.00 C ATOM 272 C PRO A 19 -5.139 9.122 -3.238 1.00 0.00 C ATOM 273 O PRO A 19 -4.006 8.952 -3.642 1.00 0.00 O ATOM 274 CB PRO A 19 -5.341 11.019 -1.604 1.00 0.00 C ATOM 275 CG PRO A 19 -4.760 11.186 -0.163 1.00 0.00 C ATOM 276 CD PRO A 19 -3.850 9.946 0.074 1.00 0.00 C ATOM 0 HA PRO A 19 -6.410 9.114 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.695 11.479 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.321 11.487 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.190 12.111 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.558 11.232 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.800 10.166 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.914 9.581 1.099 1.00 0.00 H new ATOM 284 N CYS A 20 -6.172 8.982 -4.024 1.00 0.00 N ATOM 285 CA CYS A 20 -5.988 8.605 -5.454 1.00 0.00 C ATOM 286 C CYS A 20 -5.979 9.866 -6.324 1.00 0.00 C ATOM 287 O CYS A 20 -4.953 10.480 -6.535 1.00 0.00 O ATOM 288 CB CYS A 20 -7.142 7.701 -5.886 1.00 0.00 C ATOM 289 SG CYS A 20 -6.607 5.976 -5.851 1.00 0.00 S ATOM 0 H CYS A 20 -7.141 9.114 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.041 8.079 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.995 7.841 -5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.472 7.970 -6.890 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.313 5.921 -5.957 1.00 0.00 H new ATOM 295 N GLU A 21 -7.119 10.255 -6.835 1.00 0.00 N ATOM 296 CA GLU A 21 -7.176 11.471 -7.694 1.00 0.00 C ATOM 297 C GLU A 21 -7.774 12.631 -6.895 1.00 0.00 C ATOM 298 O GLU A 21 -7.090 13.571 -6.542 1.00 0.00 O ATOM 299 CB GLU A 21 -8.054 11.189 -8.917 1.00 0.00 C ATOM 300 CG GLU A 21 -7.266 11.490 -10.193 1.00 0.00 C ATOM 301 CD GLU A 21 -8.219 11.505 -11.390 1.00 0.00 C ATOM 302 OE1 GLU A 21 -8.430 10.451 -11.967 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.721 12.571 -11.709 1.00 0.00 O ATOM 0 H GLU A 21 -8.011 9.782 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.170 11.734 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.377 10.148 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.955 11.802 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.762 12.453 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.491 10.738 -10.341 1.00 0.00 H new ATOM 310 N LYS A 22 -9.045 12.570 -6.610 1.00 0.00 N ATOM 311 CA LYS A 22 -9.688 13.666 -5.835 1.00 0.00 C ATOM 312 C LYS A 22 -11.182 13.368 -5.682 1.00 0.00 C ATOM 313 O LYS A 22 -12.004 14.261 -5.657 1.00 0.00 O ATOM 314 CB LYS A 22 -9.505 14.993 -6.575 1.00 0.00 C ATOM 315 CG LYS A 22 -8.579 15.904 -5.769 1.00 0.00 C ATOM 316 CD LYS A 22 -9.329 16.445 -4.550 1.00 0.00 C ATOM 317 CE LYS A 22 -10.320 17.522 -4.995 1.00 0.00 C ATOM 318 NZ LYS A 22 -9.781 18.866 -4.647 1.00 0.00 N ATOM 0 H LYS A 22 -9.666 11.808 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.226 13.736 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.085 14.814 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.471 15.476 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.695 15.351 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.231 16.729 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.858 15.635 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.623 16.861 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.490 17.453 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.284 17.368 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.454 19.599 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.640 18.928 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.871 19.011 -5.130 1.00 0.00 H new ATOM 332 N SER A 23 -11.537 12.117 -5.581 1.00 0.00 N ATOM 333 CA SER A 23 -12.976 11.760 -5.432 1.00 0.00 C ATOM 334 C SER A 23 -13.185 11.030 -4.104 1.00 0.00 C ATOM 335 O SER A 23 -14.142 10.302 -3.930 1.00 0.00 O ATOM 336 CB SER A 23 -13.396 10.849 -6.585 1.00 0.00 C ATOM 337 OG SER A 23 -14.693 11.221 -7.030 1.00 0.00 O ATOM 0 H SER A 23 -10.893 11.326 -5.595 1.00 0.00 H new ATOM 0 HA SER A 23 -13.579 12.668 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.682 10.928 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.395 9.809 -6.260 1.00 0.00 H new ATOM 0 HG SER A 23 -15.327 11.150 -6.286 1.00 0.00 H new ATOM 343 N ASP A 24 -12.288 11.212 -3.171 1.00 0.00 N ATOM 344 CA ASP A 24 -12.420 10.525 -1.857 1.00 0.00 C ATOM 345 C ASP A 24 -11.947 9.084 -2.011 1.00 0.00 C ATOM 346 O ASP A 24 -12.270 8.221 -1.219 1.00 0.00 O ATOM 347 CB ASP A 24 -13.882 10.542 -1.403 1.00 0.00 C ATOM 348 CG ASP A 24 -14.504 11.900 -1.731 1.00 0.00 C ATOM 349 OD1 ASP A 24 -13.908 12.904 -1.377 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.566 11.914 -2.333 1.00 0.00 O ATOM 0 H ASP A 24 -11.467 11.810 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.815 11.039 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.437 9.747 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.943 10.352 -0.331 1.00 0.00 H new ATOM 355 N ALA A 25 -11.179 8.820 -3.032 1.00 0.00 N ATOM 356 CA ALA A 25 -10.682 7.437 -3.250 1.00 0.00 C ATOM 357 C ALA A 25 -9.271 7.306 -2.676 1.00 0.00 C ATOM 358 O ALA A 25 -8.695 8.259 -2.190 1.00 0.00 O ATOM 359 CB ALA A 25 -10.653 7.133 -4.747 1.00 0.00 C ATOM 0 H ALA A 25 -10.875 9.505 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.345 6.731 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.288 6.118 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.659 7.225 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.991 7.839 -5.249 1.00 0.00 H new ATOM 365 N TYR A 26 -8.710 6.130 -2.729 1.00 0.00 N ATOM 366 CA TYR A 26 -7.337 5.935 -2.190 1.00 0.00 C ATOM 367 C TYR A 26 -6.639 4.828 -2.984 1.00 0.00 C ATOM 368 O TYR A 26 -7.175 4.309 -3.939 1.00 0.00 O ATOM 369 CB TYR A 26 -7.419 5.537 -0.717 1.00 0.00 C ATOM 370 CG TYR A 26 -8.596 4.613 -0.502 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.903 5.110 -0.579 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.378 3.260 -0.217 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.991 4.253 -0.371 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.466 2.403 -0.011 1.00 0.00 C ATOM 375 CZ TYR A 26 -10.772 2.900 -0.087 1.00 0.00 C ATOM 376 OH TYR A 26 -11.845 2.055 0.116 1.00 0.00 O ATOM 0 H TYR A 26 -9.144 5.295 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.771 6.862 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.496 5.043 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.525 6.426 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.072 6.154 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.370 2.877 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.999 4.636 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.297 1.359 0.206 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.485 2.156 -0.619 1.00 0.00 H new ATOM 386 N PHE A 27 -5.445 4.469 -2.606 1.00 0.00 N ATOM 387 CA PHE A 27 -4.724 3.406 -3.363 1.00 0.00 C ATOM 388 C PHE A 27 -4.840 2.054 -2.651 1.00 0.00 C ATOM 389 O PHE A 27 -4.050 1.718 -1.793 1.00 0.00 O ATOM 390 CB PHE A 27 -3.249 3.788 -3.495 1.00 0.00 C ATOM 391 CG PHE A 27 -3.036 4.474 -4.821 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.945 5.444 -5.256 1.00 0.00 C ATOM 393 CD2 PHE A 27 -1.936 4.137 -5.617 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.755 6.079 -6.488 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.745 4.773 -6.850 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.656 5.744 -7.284 1.00 0.00 C ATOM 0 H PHE A 27 -4.939 4.861 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.176 3.316 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.957 4.448 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.622 2.899 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.794 5.703 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.235 3.387 -5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.457 6.828 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.896 4.515 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.509 6.235 -8.235 1.00 0.00 H new ATOM 406 N VAL A 28 -5.813 1.268 -3.015 1.00 0.00 N ATOM 407 CA VAL A 28 -5.969 -0.068 -2.382 1.00 0.00 C ATOM 408 C VAL A 28 -5.004 -1.048 -3.056 1.00 0.00 C ATOM 409 O VAL A 28 -5.251 -1.530 -4.145 1.00 0.00 O ATOM 410 CB VAL A 28 -7.416 -0.549 -2.555 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.496 -2.063 -2.344 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.307 0.149 -1.527 1.00 0.00 C ATOM 0 H VAL A 28 -6.509 1.495 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.743 -0.009 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.753 -0.309 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.527 -2.394 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.862 -2.566 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.156 -2.309 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.336 -0.190 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.960 -0.092 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.261 1.227 -1.678 1.00 0.00 H new ATOM 422 N LEU A 29 -3.903 -1.339 -2.420 1.00 0.00 N ATOM 423 CA LEU A 29 -2.913 -2.278 -3.022 1.00 0.00 C ATOM 424 C LEU A 29 -3.593 -3.605 -3.367 1.00 0.00 C ATOM 425 O LEU A 29 -4.216 -4.234 -2.535 1.00 0.00 O ATOM 426 CB LEU A 29 -1.775 -2.532 -2.029 1.00 0.00 C ATOM 427 CG LEU A 29 -0.839 -3.612 -2.579 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.355 -2.953 -3.273 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.337 -4.485 -1.426 1.00 0.00 C ATOM 0 H LEU A 29 -3.645 -0.966 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.511 -1.834 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.219 -1.611 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.182 -2.845 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.380 -4.228 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.020 -3.724 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.000 -2.330 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.897 -2.336 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.329 -5.254 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.203 -3.866 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.186 -4.957 -0.931 1.00 0.00 H new ATOM 441 N ARG A 30 -3.459 -4.036 -4.589 1.00 0.00 N ATOM 442 CA ARG A 30 -4.073 -5.326 -5.004 1.00 0.00 C ATOM 443 C ARG A 30 -3.029 -6.142 -5.768 1.00 0.00 C ATOM 444 O ARG A 30 -1.861 -5.802 -5.792 1.00 0.00 O ATOM 445 CB ARG A 30 -5.278 -5.055 -5.907 1.00 0.00 C ATOM 446 CG ARG A 30 -6.568 -5.260 -5.112 1.00 0.00 C ATOM 447 CD ARG A 30 -7.583 -4.183 -5.499 1.00 0.00 C ATOM 448 NE ARG A 30 -7.568 -3.995 -6.978 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.341 -3.100 -7.529 1.00 0.00 C ATOM 450 NH1 ARG A 30 -8.240 -1.846 -7.179 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.215 -3.457 -8.430 1.00 0.00 N ATOM 0 H ARG A 30 -2.947 -3.546 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.406 -5.879 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.234 -4.037 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.259 -5.724 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.978 -6.250 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.360 -5.212 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.581 -4.473 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.342 -3.245 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.954 -4.566 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.557 -1.566 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.844 -1.146 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.294 -4.436 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.819 -2.757 -8.860 1.00 0.00 H new ATOM 465 N ASP A 31 -3.431 -7.212 -6.395 1.00 0.00 N ATOM 466 CA ASP A 31 -2.449 -8.036 -7.153 1.00 0.00 C ATOM 467 C ASP A 31 -3.128 -8.634 -8.387 1.00 0.00 C ATOM 468 O ASP A 31 -3.947 -9.526 -8.288 1.00 0.00 O ATOM 469 CB ASP A 31 -1.931 -9.163 -6.258 1.00 0.00 C ATOM 470 CG ASP A 31 -3.070 -10.136 -5.947 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.050 -9.703 -5.364 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.943 -11.298 -6.299 1.00 0.00 O ATOM 0 H ASP A 31 -4.393 -7.551 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.614 -7.409 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.115 -9.689 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.529 -8.751 -5.333 1.00 0.00 H new ATOM 477 N GLY A 32 -2.795 -8.150 -9.552 1.00 0.00 N ATOM 478 CA GLY A 32 -3.421 -8.690 -10.792 1.00 0.00 C ATOM 479 C GLY A 32 -2.860 -7.956 -12.011 1.00 0.00 C ATOM 480 O GLY A 32 -3.543 -7.758 -12.996 1.00 0.00 O ATOM 0 H GLY A 32 -2.116 -7.403 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.223 -9.759 -10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.503 -8.568 -10.748 1.00 0.00 H new ATOM 484 N ALA A 33 -1.622 -7.550 -11.953 1.00 0.00 N ATOM 485 CA ALA A 33 -1.019 -6.830 -13.110 1.00 0.00 C ATOM 486 C ALA A 33 0.416 -7.315 -13.321 1.00 0.00 C ATOM 487 O ALA A 33 1.365 -6.580 -13.128 1.00 0.00 O ATOM 488 CB ALA A 33 -1.012 -5.326 -12.826 1.00 0.00 C ATOM 0 H ALA A 33 -1.002 -7.686 -11.155 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.605 -7.029 -14.007 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.571 -4.798 -13.672 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.034 -4.979 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.426 -5.128 -11.929 1.00 0.00 H new ATOM 494 N ALA A 34 0.584 -8.547 -13.718 1.00 0.00 N ATOM 495 CA ALA A 34 1.958 -9.077 -13.940 1.00 0.00 C ATOM 496 C ALA A 34 2.713 -9.110 -12.610 1.00 0.00 C ATOM 497 O ALA A 34 3.912 -9.299 -12.569 1.00 0.00 O ATOM 498 CB ALA A 34 2.701 -8.174 -14.926 1.00 0.00 C ATOM 0 H ALA A 34 -0.171 -9.209 -13.898 1.00 0.00 H new ATOM 0 HA ALA A 34 1.896 -10.086 -14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.707 -8.562 -15.088 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.164 -8.151 -15.874 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.763 -7.165 -14.519 1.00 0.00 H new ATOM 504 N GLY A 35 2.020 -8.928 -11.519 1.00 0.00 N ATOM 505 CA GLY A 35 2.697 -8.948 -10.193 1.00 0.00 C ATOM 506 C GLY A 35 1.827 -8.223 -9.164 1.00 0.00 C ATOM 507 O GLY A 35 0.671 -8.548 -8.976 1.00 0.00 O ATOM 0 H GLY A 35 1.013 -8.766 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.871 -9.977 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.672 -8.467 -10.264 1.00 0.00 H new ATOM 511 N VAL A 36 2.372 -7.241 -8.500 1.00 0.00 N ATOM 512 CA VAL A 36 1.574 -6.496 -7.487 1.00 0.00 C ATOM 513 C VAL A 36 1.458 -5.030 -7.909 1.00 0.00 C ATOM 514 O VAL A 36 2.163 -4.569 -8.784 1.00 0.00 O ATOM 515 CB VAL A 36 2.266 -6.585 -6.124 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.675 -8.033 -5.853 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.512 -5.696 -6.124 1.00 0.00 C ATOM 0 H VAL A 36 3.334 -6.923 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 36 0.578 -6.933 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 36 1.580 -6.249 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.168 -8.096 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.789 -8.667 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.361 -8.369 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.004 -5.760 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.198 -6.031 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.222 -4.663 -6.317 1.00 0.00 H new ATOM 527 N PHE A 37 0.574 -4.294 -7.294 1.00 0.00 N ATOM 528 CA PHE A 37 0.415 -2.859 -7.664 1.00 0.00 C ATOM 529 C PHE A 37 -0.622 -2.203 -6.749 1.00 0.00 C ATOM 530 O PHE A 37 -1.065 -2.787 -5.781 1.00 0.00 O ATOM 531 CB PHE A 37 -0.034 -2.756 -9.128 1.00 0.00 C ATOM 532 CG PHE A 37 -1.516 -3.034 -9.245 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.136 -3.953 -8.387 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.273 -2.370 -10.217 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.508 -4.204 -8.503 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.644 -2.621 -10.333 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.263 -3.538 -9.476 1.00 0.00 C ATOM 0 H PHE A 37 -0.044 -4.623 -6.553 1.00 0.00 H new ATOM 0 HA PHE A 37 1.368 -2.343 -7.545 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.188 -1.761 -9.514 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.525 -3.466 -9.737 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.555 -4.468 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.797 -1.662 -10.879 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.985 -4.912 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.225 -2.107 -11.084 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.322 -3.732 -9.565 1.00 0.00 H new ATOM 547 N LEU A 38 -1.010 -0.994 -7.046 1.00 0.00 N ATOM 548 CA LEU A 38 -2.017 -0.302 -6.190 1.00 0.00 C ATOM 549 C LEU A 38 -3.011 0.449 -7.076 1.00 0.00 C ATOM 550 O LEU A 38 -2.730 1.526 -7.564 1.00 0.00 O ATOM 551 CB LEU A 38 -1.314 0.695 -5.267 1.00 0.00 C ATOM 552 CG LEU A 38 -0.020 0.079 -4.732 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.169 0.617 -5.530 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.146 0.454 -3.258 1.00 0.00 C ATOM 0 H LEU A 38 -0.674 -0.454 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.545 -1.043 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.093 1.614 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.970 0.963 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.063 -1.006 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.091 0.178 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.050 0.355 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.214 1.701 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.067 0.017 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.191 1.539 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.702 0.074 -2.688 1.00 0.00 H new ATOM 566 N ALA A 39 -4.176 -0.102 -7.283 1.00 0.00 N ATOM 567 CA ALA A 39 -5.182 0.595 -8.131 1.00 0.00 C ATOM 568 C ALA A 39 -6.046 1.493 -7.249 1.00 0.00 C ATOM 569 O ALA A 39 -6.172 1.281 -6.055 1.00 0.00 O ATOM 570 CB ALA A 39 -6.074 -0.431 -8.834 1.00 0.00 C ATOM 0 H ALA A 39 -4.473 -1.001 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.666 1.195 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.807 0.087 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.461 -1.076 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.591 -1.035 -8.088 1.00 0.00 H new ATOM 576 N ALA A 40 -6.650 2.493 -7.825 1.00 0.00 N ATOM 577 CA ALA A 40 -7.510 3.397 -7.022 1.00 0.00 C ATOM 578 C ALA A 40 -8.811 2.673 -6.682 1.00 0.00 C ATOM 579 O ALA A 40 -9.369 1.966 -7.497 1.00 0.00 O ATOM 580 CB ALA A 40 -7.820 4.659 -7.830 1.00 0.00 C ATOM 0 H ALA A 40 -6.584 2.722 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.995 3.678 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.452 5.323 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.890 5.170 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.340 4.385 -8.748 1.00 0.00 H new ATOM 586 N ASN A 41 -9.299 2.836 -5.485 1.00 0.00 N ATOM 587 CA ASN A 41 -10.564 2.151 -5.101 1.00 0.00 C ATOM 588 C ASN A 41 -11.737 2.790 -5.851 1.00 0.00 C ATOM 589 O ASN A 41 -12.859 2.330 -5.774 1.00 0.00 O ATOM 590 CB ASN A 41 -10.776 2.278 -3.589 1.00 0.00 C ATOM 591 CG ASN A 41 -12.224 1.927 -3.237 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.906 2.691 -2.584 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.725 0.794 -3.646 1.00 0.00 N ATOM 0 H ASN A 41 -8.878 3.413 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.504 1.095 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.092 1.614 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.549 3.294 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.689 0.550 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.153 0.152 -4.194 1.00 0.00 H new ATOM 600 N THR A 42 -11.487 3.845 -6.581 1.00 0.00 N ATOM 601 CA THR A 42 -12.586 4.506 -7.339 1.00 0.00 C ATOM 602 C THR A 42 -12.576 4.015 -8.790 1.00 0.00 C ATOM 603 O THR A 42 -13.393 4.418 -9.593 1.00 0.00 O ATOM 604 CB THR A 42 -12.385 6.023 -7.313 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.003 6.312 -7.152 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.175 6.626 -6.151 1.00 0.00 C ATOM 0 H THR A 42 -10.569 4.276 -6.684 1.00 0.00 H new ATOM 0 HA THR A 42 -13.542 4.258 -6.879 1.00 0.00 H new ATOM 0 HB THR A 42 -12.740 6.453 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.824 7.228 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.030 7.706 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.235 6.404 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.824 6.199 -5.212 1.00 0.00 H new ATOM 614 N PHE A 43 -11.657 3.146 -9.127 1.00 0.00 N ATOM 615 CA PHE A 43 -11.582 2.618 -10.523 1.00 0.00 C ATOM 616 C PHE A 43 -13.000 2.398 -11.067 1.00 0.00 C ATOM 617 O PHE A 43 -13.883 2.004 -10.331 1.00 0.00 O ATOM 618 CB PHE A 43 -10.831 1.284 -10.511 1.00 0.00 C ATOM 619 CG PHE A 43 -10.988 0.598 -11.846 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.184 -0.061 -12.159 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.939 0.621 -12.773 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.329 -0.695 -13.399 1.00 0.00 C ATOM 623 CE2 PHE A 43 -10.084 -0.013 -14.012 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.280 -0.672 -14.325 1.00 0.00 C ATOM 0 H PHE A 43 -10.951 2.777 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.059 3.333 -11.158 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.775 1.452 -10.300 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.217 0.646 -9.716 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.994 -0.080 -11.444 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.017 1.129 -12.532 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.251 -1.202 -13.641 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.274 0.006 -14.727 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.392 -1.162 -15.281 1.00 0.00 H new ATOM 634 N PRO A 44 -13.179 2.652 -12.341 1.00 0.00 N ATOM 635 CA PRO A 44 -12.115 3.125 -13.218 1.00 0.00 C ATOM 636 C PRO A 44 -11.881 4.630 -13.030 1.00 0.00 C ATOM 637 O PRO A 44 -10.958 5.191 -13.587 1.00 0.00 O ATOM 638 CB PRO A 44 -12.640 2.851 -14.621 1.00 0.00 C ATOM 639 CG PRO A 44 -14.190 2.913 -14.450 1.00 0.00 C ATOM 640 CD PRO A 44 -14.484 2.458 -12.990 1.00 0.00 C ATOM 0 HA PRO A 44 -11.164 2.634 -13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.285 3.595 -15.334 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.315 1.877 -14.988 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.561 3.923 -14.625 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.687 2.261 -15.169 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.265 3.060 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.812 1.420 -12.944 1.00 0.00 H new ATOM 648 N LYS A 45 -12.708 5.288 -12.260 1.00 0.00 N ATOM 649 CA LYS A 45 -12.528 6.754 -12.048 1.00 0.00 C ATOM 650 C LYS A 45 -11.042 7.061 -11.858 1.00 0.00 C ATOM 651 O LYS A 45 -10.574 8.138 -12.172 1.00 0.00 O ATOM 652 CB LYS A 45 -13.318 7.185 -10.806 1.00 0.00 C ATOM 653 CG LYS A 45 -12.797 8.532 -10.305 1.00 0.00 C ATOM 654 CD LYS A 45 -13.672 9.023 -9.149 1.00 0.00 C ATOM 655 CE LYS A 45 -15.142 8.987 -9.572 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.813 10.247 -9.142 1.00 0.00 N ATOM 0 H LYS A 45 -13.500 4.873 -11.769 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.896 7.302 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.378 7.261 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.222 6.433 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.763 8.433 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.805 9.261 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.520 8.395 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.388 10.037 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.218 8.873 -10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.639 8.126 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.845 10.121 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.526 10.478 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.537 11.022 -9.778 1.00 0.00 H new ATOM 670 N SER A 46 -10.295 6.120 -11.354 1.00 0.00 N ATOM 671 CA SER A 46 -8.840 6.353 -11.153 1.00 0.00 C ATOM 672 C SER A 46 -8.070 5.109 -11.592 1.00 0.00 C ATOM 673 O SER A 46 -8.001 4.126 -10.880 1.00 0.00 O ATOM 674 CB SER A 46 -8.567 6.634 -9.675 1.00 0.00 C ATOM 675 OG SER A 46 -8.773 8.015 -9.413 1.00 0.00 O ATOM 0 H SER A 46 -10.630 5.199 -11.072 1.00 0.00 H new ATOM 0 HA SER A 46 -8.518 7.210 -11.745 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.227 6.031 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.545 6.353 -9.422 1.00 0.00 H new ATOM 0 HG SER A 46 -9.073 8.131 -8.487 1.00 0.00 H new ATOM 681 N ARG A 47 -7.491 5.141 -12.759 1.00 0.00 N ATOM 682 CA ARG A 47 -6.730 3.956 -13.242 1.00 0.00 C ATOM 683 C ARG A 47 -5.275 4.069 -12.787 1.00 0.00 C ATOM 684 O ARG A 47 -4.424 3.310 -13.204 1.00 0.00 O ATOM 685 CB ARG A 47 -6.786 3.899 -14.770 1.00 0.00 C ATOM 686 CG ARG A 47 -7.808 2.846 -15.202 1.00 0.00 C ATOM 687 CD ARG A 47 -8.384 3.222 -16.568 1.00 0.00 C ATOM 688 NE ARG A 47 -7.302 3.785 -17.424 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.843 3.096 -18.432 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.281 1.935 -18.226 1.00 0.00 N ATOM 691 NH2 ARG A 47 -6.942 3.567 -19.645 1.00 0.00 N ATOM 0 H ARG A 47 -7.512 5.935 -13.399 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.171 3.048 -12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.061 4.874 -15.171 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.803 3.654 -15.172 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.336 1.865 -15.253 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.608 2.777 -14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.820 2.344 -17.045 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.185 3.951 -16.449 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.920 4.709 -17.222 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.201 1.568 -17.278 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.922 1.395 -19.014 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.379 4.475 -19.806 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.583 3.027 -20.433 1.00 0.00 H new ATOM 705 N GLU A 48 -4.985 5.008 -11.928 1.00 0.00 N ATOM 706 CA GLU A 48 -3.587 5.163 -11.442 1.00 0.00 C ATOM 707 C GLU A 48 -3.138 3.854 -10.791 1.00 0.00 C ATOM 708 O GLU A 48 -3.310 3.649 -9.606 1.00 0.00 O ATOM 709 CB GLU A 48 -3.526 6.295 -10.415 1.00 0.00 C ATOM 710 CG GLU A 48 -4.113 7.569 -11.023 1.00 0.00 C ATOM 711 CD GLU A 48 -3.779 8.764 -10.128 1.00 0.00 C ATOM 712 OE1 GLU A 48 -2.967 8.600 -9.232 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.339 9.824 -10.354 1.00 0.00 O ATOM 0 H GLU A 48 -5.656 5.673 -11.543 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.930 5.402 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.082 6.018 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.494 6.468 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.709 7.726 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.193 7.470 -11.127 1.00 0.00 H new ATOM 720 N THR A 49 -2.572 2.963 -11.558 1.00 0.00 N ATOM 721 CA THR A 49 -2.124 1.665 -10.981 1.00 0.00 C ATOM 722 C THR A 49 -0.652 1.428 -11.322 1.00 0.00 C ATOM 723 O THR A 49 -0.154 1.891 -12.330 1.00 0.00 O ATOM 724 CB THR A 49 -2.970 0.528 -11.563 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.350 0.035 -12.742 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.372 1.043 -11.898 1.00 0.00 C ATOM 0 H THR A 49 -2.401 3.078 -12.557 1.00 0.00 H new ATOM 0 HA THR A 49 -2.244 1.693 -9.898 1.00 0.00 H new ATOM 0 HB THR A 49 -3.050 -0.274 -10.829 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.889 -0.694 -13.115 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.969 0.230 -12.311 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.848 1.418 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.299 1.848 -12.629 1.00 0.00 H new ATOM 734 N ARG A 50 0.048 0.710 -10.486 1.00 0.00 N ATOM 735 CA ARG A 50 1.489 0.438 -10.751 1.00 0.00 C ATOM 736 C ARG A 50 2.160 -0.021 -9.454 1.00 0.00 C ATOM 737 O ARG A 50 1.684 0.256 -8.372 1.00 0.00 O ATOM 738 CB ARG A 50 2.169 1.712 -11.255 1.00 0.00 C ATOM 739 CG ARG A 50 1.611 2.921 -10.501 1.00 0.00 C ATOM 740 CD ARG A 50 2.762 3.701 -9.863 1.00 0.00 C ATOM 741 NE ARG A 50 2.225 4.603 -8.807 1.00 0.00 N ATOM 742 CZ ARG A 50 2.192 5.892 -9.004 1.00 0.00 C ATOM 743 NH1 ARG A 50 2.057 6.364 -10.214 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.293 6.711 -7.993 1.00 0.00 N ATOM 0 H ARG A 50 -0.318 0.299 -9.627 1.00 0.00 H new ATOM 0 HA ARG A 50 1.580 -0.341 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.247 1.644 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.000 1.828 -12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.056 3.564 -11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.911 2.592 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.488 3.011 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.286 4.283 -10.622 1.00 0.00 H new ATOM 0 HE ARG A 50 1.883 4.213 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.977 5.725 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.031 7.372 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.398 6.343 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.267 7.719 -8.148 1.00 0.00 H new ATOM 758 N ALA A 51 3.258 -0.719 -9.551 1.00 0.00 N ATOM 759 CA ALA A 51 3.948 -1.188 -8.317 1.00 0.00 C ATOM 760 C ALA A 51 3.999 -0.045 -7.299 1.00 0.00 C ATOM 761 O ALA A 51 3.915 1.111 -7.664 1.00 0.00 O ATOM 762 CB ALA A 51 5.367 -1.633 -8.657 1.00 0.00 C ATOM 0 H ALA A 51 3.706 -0.984 -10.428 1.00 0.00 H new ATOM 0 HA ALA A 51 3.400 -2.030 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.868 -1.975 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.329 -2.447 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.919 -0.795 -9.082 1.00 0.00 H new ATOM 768 N PRO A 52 4.117 -0.405 -6.046 1.00 0.00 N ATOM 769 CA PRO A 52 4.157 0.569 -4.966 1.00 0.00 C ATOM 770 C PRO A 52 5.551 1.192 -4.814 1.00 0.00 C ATOM 771 O PRO A 52 6.554 0.505 -4.793 1.00 0.00 O ATOM 772 CB PRO A 52 3.817 -0.246 -3.725 1.00 0.00 C ATOM 773 CG PRO A 52 4.312 -1.685 -4.079 1.00 0.00 C ATOM 774 CD PRO A 52 4.207 -1.814 -5.627 1.00 0.00 C ATOM 0 HA PRO A 52 3.473 1.399 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.320 0.144 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.747 -0.231 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.338 -1.836 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.701 -2.439 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.077 -2.312 -6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.331 -2.387 -5.930 1.00 0.00 H new ATOM 782 N LEU A 53 5.612 2.491 -4.673 1.00 0.00 N ATOM 783 CA LEU A 53 6.923 3.169 -4.478 1.00 0.00 C ATOM 784 C LEU A 53 7.589 2.578 -3.235 1.00 0.00 C ATOM 785 O LEU A 53 7.048 2.645 -2.154 1.00 0.00 O ATOM 786 CB LEU A 53 6.690 4.661 -4.257 1.00 0.00 C ATOM 787 CG LEU A 53 7.799 5.466 -4.939 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.150 4.767 -4.761 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.492 5.602 -6.430 1.00 0.00 C ATOM 0 H LEU A 53 4.803 3.113 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 53 7.556 3.025 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.719 4.950 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.672 4.881 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 53 7.847 6.454 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.929 5.351 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.377 4.679 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.107 3.773 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.283 6.175 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.434 4.612 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.540 6.116 -6.560 1.00 0.00 H new ATOM 801 N VAL A 54 8.749 1.995 -3.369 1.00 0.00 N ATOM 802 CA VAL A 54 9.420 1.399 -2.181 1.00 0.00 C ATOM 803 C VAL A 54 9.354 2.380 -1.008 1.00 0.00 C ATOM 804 O VAL A 54 9.044 2.006 0.105 1.00 0.00 O ATOM 805 CB VAL A 54 10.881 1.097 -2.518 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.472 0.176 -1.451 1.00 0.00 C ATOM 807 CG2 VAL A 54 10.956 0.406 -3.881 1.00 0.00 C ATOM 0 H VAL A 54 9.259 1.906 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 54 8.914 0.474 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 54 11.446 2.029 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.513 -0.039 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.418 0.665 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.907 -0.756 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.997 0.190 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.390 -0.525 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.534 1.060 -4.644 1.00 0.00 H new ATOM 817 N GLU A 55 9.645 3.630 -1.243 1.00 0.00 N ATOM 818 CA GLU A 55 9.598 4.624 -0.132 1.00 0.00 C ATOM 819 C GLU A 55 8.202 4.628 0.499 1.00 0.00 C ATOM 820 O GLU A 55 8.055 4.535 1.703 1.00 0.00 O ATOM 821 CB GLU A 55 9.922 6.021 -0.670 1.00 0.00 C ATOM 822 CG GLU A 55 9.344 6.184 -2.079 1.00 0.00 C ATOM 823 CD GLU A 55 8.499 7.458 -2.138 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.979 8.485 -1.688 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.387 7.385 -2.635 1.00 0.00 O ATOM 0 H GLU A 55 9.912 4.006 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 55 10.335 4.350 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.507 6.781 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.001 6.171 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.150 6.235 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.734 5.318 -2.336 1.00 0.00 H new ATOM 832 N GLU A 56 7.174 4.726 -0.300 1.00 0.00 N ATOM 833 CA GLU A 56 5.797 4.726 0.267 1.00 0.00 C ATOM 834 C GLU A 56 5.556 3.389 0.964 1.00 0.00 C ATOM 835 O GLU A 56 4.730 3.271 1.845 1.00 0.00 O ATOM 836 CB GLU A 56 4.777 4.909 -0.860 1.00 0.00 C ATOM 837 CG GLU A 56 4.824 6.352 -1.363 1.00 0.00 C ATOM 838 CD GLU A 56 3.401 6.849 -1.625 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.880 6.555 -2.688 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.858 7.513 -0.758 1.00 0.00 O ATOM 0 H GLU A 56 7.228 4.806 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 56 5.688 5.543 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.995 4.221 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.776 4.671 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.313 6.989 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.415 6.410 -2.277 1.00 0.00 H new ATOM 847 N LEU A 57 6.285 2.383 0.574 1.00 0.00 N ATOM 848 CA LEU A 57 6.118 1.048 1.205 1.00 0.00 C ATOM 849 C LEU A 57 6.695 1.086 2.618 1.00 0.00 C ATOM 850 O LEU A 57 6.122 0.555 3.548 1.00 0.00 O ATOM 851 CB LEU A 57 6.861 0.004 0.372 1.00 0.00 C ATOM 852 CG LEU A 57 5.893 -1.110 -0.019 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.615 -2.131 -0.896 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.381 -1.798 1.243 1.00 0.00 C ATOM 0 H LEU A 57 6.993 2.429 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 57 5.061 0.788 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.282 0.466 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.695 -0.406 0.941 1.00 0.00 H new ATOM 0 HG LEU A 57 5.055 -0.686 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.923 -2.926 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.985 -1.640 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.453 -2.557 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.689 -2.594 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.221 -2.221 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.866 -1.071 1.871 1.00 0.00 H new ATOM 866 N TYR A 58 7.822 1.721 2.792 1.00 0.00 N ATOM 867 CA TYR A 58 8.424 1.801 4.148 1.00 0.00 C ATOM 868 C TYR A 58 7.445 2.522 5.074 1.00 0.00 C ATOM 869 O TYR A 58 7.254 2.142 6.212 1.00 0.00 O ATOM 870 CB TYR A 58 9.740 2.577 4.082 1.00 0.00 C ATOM 871 CG TYR A 58 10.546 2.309 5.329 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.316 3.060 6.488 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.525 1.307 5.328 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.062 2.810 7.644 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.272 1.057 6.485 1.00 0.00 C ATOM 876 CZ TYR A 58 12.041 1.808 7.643 1.00 0.00 C ATOM 877 OH TYR A 58 12.778 1.562 8.784 1.00 0.00 O ATOM 0 H TYR A 58 8.349 2.186 2.053 1.00 0.00 H new ATOM 0 HA TYR A 58 8.625 0.799 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.306 2.279 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.541 3.644 3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.562 3.833 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.703 0.727 4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.883 3.389 8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.027 0.284 6.484 1.00 0.00 H new ATOM 0 HH TYR A 58 13.413 0.835 8.613 1.00 0.00 H new ATOM 887 N ARG A 59 6.814 3.557 4.587 1.00 0.00 N ATOM 888 CA ARG A 59 5.837 4.296 5.432 1.00 0.00 C ATOM 889 C ARG A 59 4.616 3.407 5.671 1.00 0.00 C ATOM 890 O ARG A 59 3.920 3.538 6.659 1.00 0.00 O ATOM 891 CB ARG A 59 5.400 5.574 4.712 1.00 0.00 C ATOM 892 CG ARG A 59 4.325 6.284 5.536 1.00 0.00 C ATOM 893 CD ARG A 59 3.118 6.585 4.646 1.00 0.00 C ATOM 894 NE ARG A 59 1.878 6.589 5.473 1.00 0.00 N ATOM 895 CZ ARG A 59 1.456 7.700 6.012 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.306 8.646 6.309 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.185 7.865 6.254 1.00 0.00 N ATOM 0 H ARG A 59 6.934 3.921 3.642 1.00 0.00 H new ATOM 0 HA ARG A 59 6.298 4.558 6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.256 6.233 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.013 5.332 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.024 5.659 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.723 7.209 5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.245 7.551 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.039 5.837 3.857 1.00 0.00 H new ATOM 0 HE ARG A 59 1.359 5.723 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.300 8.517 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.976 9.514 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.478 7.126 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.145 8.733 6.675 1.00 0.00 H new ATOM 911 N PHE A 60 4.350 2.500 4.769 1.00 0.00 N ATOM 912 CA PHE A 60 3.177 1.599 4.937 1.00 0.00 C ATOM 913 C PHE A 60 3.649 0.228 5.425 1.00 0.00 C ATOM 914 O PHE A 60 2.960 -0.763 5.286 1.00 0.00 O ATOM 915 CB PHE A 60 2.460 1.443 3.593 1.00 0.00 C ATOM 916 CG PHE A 60 1.452 2.554 3.434 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.200 2.457 4.054 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.769 3.685 2.672 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.734 3.489 3.911 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.835 4.718 2.530 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.417 4.621 3.149 1.00 0.00 C ATOM 0 H PHE A 60 4.897 2.345 3.922 1.00 0.00 H new ATOM 0 HA PHE A 60 2.492 2.027 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.182 1.472 2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.962 0.475 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.045 1.585 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.734 3.760 2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.700 3.413 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.080 5.590 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.138 5.418 3.039 1.00 0.00 H new ATOM 931 N ARG A 61 4.819 0.163 6.000 1.00 0.00 N ATOM 932 CA ARG A 61 5.332 -1.145 6.497 1.00 0.00 C ATOM 933 C ARG A 61 4.413 -1.664 7.605 1.00 0.00 C ATOM 934 O ARG A 61 4.112 -2.839 7.674 1.00 0.00 O ATOM 935 CB ARG A 61 6.746 -0.961 7.052 1.00 0.00 C ATOM 936 CG ARG A 61 7.364 -2.330 7.340 1.00 0.00 C ATOM 937 CD ARG A 61 8.427 -2.644 6.283 1.00 0.00 C ATOM 938 NE ARG A 61 9.757 -2.177 6.764 1.00 0.00 N ATOM 939 CZ ARG A 61 10.611 -3.032 7.253 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.226 -3.902 8.146 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.852 -3.020 6.849 1.00 0.00 N ATOM 0 H ARG A 61 5.441 0.958 6.147 1.00 0.00 H new ATOM 0 HA ARG A 61 5.355 -1.862 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.361 -0.416 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.715 -0.365 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.811 -2.337 8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.591 -3.098 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.455 -3.716 6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.176 -2.154 5.342 1.00 0.00 H new ATOM 0 HE ARG A 61 10.000 -1.188 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.256 -3.913 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.895 -4.571 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.154 -2.341 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.520 -3.689 7.232 1.00 0.00 H new ATOM 955 N ASP A 62 3.965 -0.797 8.470 1.00 0.00 N ATOM 956 CA ASP A 62 3.064 -1.242 9.572 1.00 0.00 C ATOM 957 C ASP A 62 1.819 -1.900 8.976 1.00 0.00 C ATOM 958 O ASP A 62 1.159 -2.695 9.615 1.00 0.00 O ATOM 959 CB ASP A 62 2.651 -0.031 10.412 1.00 0.00 C ATOM 960 CG ASP A 62 3.884 0.563 11.094 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.979 0.125 10.780 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.713 1.446 11.919 1.00 0.00 O ATOM 0 H ASP A 62 4.183 0.199 8.462 1.00 0.00 H new ATOM 0 HA ASP A 62 3.587 -1.960 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.176 0.719 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.916 -0.328 11.160 1.00 0.00 H new ATOM 967 N ARG A 63 1.492 -1.575 7.755 1.00 0.00 N ATOM 968 CA ARG A 63 0.288 -2.182 7.120 1.00 0.00 C ATOM 969 C ARG A 63 0.728 -3.208 6.072 1.00 0.00 C ATOM 970 O ARG A 63 -0.074 -3.955 5.548 1.00 0.00 O ATOM 971 CB ARG A 63 -0.538 -1.086 6.443 1.00 0.00 C ATOM 972 CG ARG A 63 -1.911 -0.994 7.112 1.00 0.00 C ATOM 973 CD ARG A 63 -2.800 -0.031 6.324 1.00 0.00 C ATOM 974 NE ARG A 63 -3.205 1.102 7.202 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.132 1.933 6.808 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.100 2.421 5.598 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.091 2.275 7.624 1.00 0.00 N ATOM 0 H ARG A 63 2.006 -0.916 7.170 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.316 -2.675 7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.021 -0.129 6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.653 -1.306 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.373 -1.980 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.804 -0.648 8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.264 0.344 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.683 -0.553 5.956 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.759 1.229 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.351 2.153 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.824 3.070 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.116 1.893 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.815 2.924 7.316 1.00 0.00 H new ATOM 991 N LEU A 64 1.996 -3.250 5.764 1.00 0.00 N ATOM 992 CA LEU A 64 2.489 -4.223 4.753 1.00 0.00 C ATOM 993 C LEU A 64 1.825 -5.588 4.985 1.00 0.00 C ATOM 994 O LEU A 64 1.715 -6.032 6.110 1.00 0.00 O ATOM 995 CB LEU A 64 4.006 -4.368 4.889 1.00 0.00 C ATOM 996 CG LEU A 64 4.612 -4.679 3.522 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.986 -4.018 3.405 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.763 -6.194 3.364 1.00 0.00 C ATOM 0 H LEU A 64 2.713 -2.649 6.172 1.00 0.00 H new ATOM 0 HA LEU A 64 2.242 -3.865 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.436 -3.449 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.244 -5.164 5.594 1.00 0.00 H new ATOM 0 HG LEU A 64 3.957 -4.293 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.416 -4.242 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.881 -2.939 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.642 -4.402 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.195 -6.417 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.417 -6.578 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.784 -6.667 3.444 1.00 0.00 H new ATOM 1010 N PRO A 65 1.408 -6.218 3.910 1.00 0.00 N ATOM 1011 CA PRO A 65 0.767 -7.527 3.980 1.00 0.00 C ATOM 1012 C PRO A 65 1.807 -8.640 4.187 1.00 0.00 C ATOM 1013 O PRO A 65 1.504 -9.802 4.016 1.00 0.00 O ATOM 1014 CB PRO A 65 0.093 -7.687 2.623 1.00 0.00 C ATOM 1015 CG PRO A 65 0.970 -6.810 1.674 1.00 0.00 C ATOM 1016 CD PRO A 65 1.537 -5.658 2.556 1.00 0.00 C ATOM 0 HA PRO A 65 0.069 -7.598 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.075 -8.729 2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.941 -7.343 2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.776 -7.397 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.377 -6.414 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.573 -5.426 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.967 -4.736 2.440 1.00 0.00 H new ATOM 1024 N GLU A 66 3.019 -8.284 4.554 1.00 0.00 N ATOM 1025 CA GLU A 66 4.107 -9.282 4.786 1.00 0.00 C ATOM 1026 C GLU A 66 4.661 -9.821 3.456 1.00 0.00 C ATOM 1027 O GLU A 66 5.844 -10.068 3.333 1.00 0.00 O ATOM 1028 CB GLU A 66 3.582 -10.424 5.654 1.00 0.00 C ATOM 1029 CG GLU A 66 4.560 -11.601 5.613 1.00 0.00 C ATOM 1030 CD GLU A 66 4.139 -12.577 4.515 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.170 -13.290 4.722 1.00 0.00 O ATOM 1032 OE2 GLU A 66 4.792 -12.597 3.484 1.00 0.00 O ATOM 0 H GLU A 66 3.302 -7.316 4.705 1.00 0.00 H new ATOM 0 HA GLU A 66 4.927 -8.786 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.453 -10.082 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.602 -10.742 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.571 -11.241 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.576 -12.108 6.578 1.00 0.00 H new ATOM 1039 N LYS A 67 3.841 -9.997 2.452 1.00 0.00 N ATOM 1040 CA LYS A 67 4.345 -10.509 1.157 1.00 0.00 C ATOM 1041 C LYS A 67 5.085 -9.403 0.389 1.00 0.00 C ATOM 1042 O LYS A 67 5.350 -9.533 -0.790 1.00 0.00 O ATOM 1043 CB LYS A 67 3.146 -10.993 0.345 1.00 0.00 C ATOM 1044 CG LYS A 67 2.392 -9.795 -0.236 1.00 0.00 C ATOM 1045 CD LYS A 67 1.043 -10.260 -0.789 1.00 0.00 C ATOM 1046 CE LYS A 67 1.007 -10.038 -2.302 1.00 0.00 C ATOM 1047 NZ LYS A 67 -0.301 -10.506 -2.842 1.00 0.00 N ATOM 0 H LYS A 67 2.840 -9.805 2.480 1.00 0.00 H new ATOM 0 HA LYS A 67 5.047 -11.325 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.481 -11.648 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.481 -11.580 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.240 -9.039 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.981 -9.330 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.889 -11.315 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.233 -9.710 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.149 -8.981 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.824 -10.579 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.326 -10.355 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.419 -11.519 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.073 -9.971 -2.395 1.00 0.00 H new ATOM 1061 N LEU A 68 5.425 -8.323 1.039 1.00 0.00 N ATOM 1062 CA LEU A 68 6.148 -7.227 0.336 1.00 0.00 C ATOM 1063 C LEU A 68 7.452 -6.926 1.072 1.00 0.00 C ATOM 1064 O LEU A 68 8.222 -6.084 0.664 1.00 0.00 O ATOM 1065 CB LEU A 68 5.276 -5.969 0.317 1.00 0.00 C ATOM 1066 CG LEU A 68 4.667 -5.789 -1.073 1.00 0.00 C ATOM 1067 CD1 LEU A 68 4.100 -7.126 -1.553 1.00 0.00 C ATOM 1068 CD2 LEU A 68 3.544 -4.753 -1.007 1.00 0.00 C ATOM 0 H LEU A 68 5.233 -8.153 2.026 1.00 0.00 H new ATOM 0 HA LEU A 68 6.367 -7.534 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.486 -6.050 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.874 -5.096 0.579 1.00 0.00 H new ATOM 0 HG LEU A 68 5.435 -5.447 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.665 -7.002 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.900 -7.865 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.331 -7.465 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.109 -4.624 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.774 -5.094 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.947 -3.801 -0.661 1.00 0.00 H new ATOM 1080 N ARG A 69 7.703 -7.604 2.157 1.00 0.00 N ATOM 1081 CA ARG A 69 8.954 -7.355 2.926 1.00 0.00 C ATOM 1082 C ARG A 69 10.134 -7.145 1.971 1.00 0.00 C ATOM 1083 O ARG A 69 10.991 -6.317 2.204 1.00 0.00 O ATOM 1084 CB ARG A 69 9.233 -8.561 3.822 1.00 0.00 C ATOM 1085 CG ARG A 69 10.423 -8.257 4.736 1.00 0.00 C ATOM 1086 CD ARG A 69 9.914 -7.897 6.132 1.00 0.00 C ATOM 1087 NE ARG A 69 10.671 -8.676 7.152 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.065 -9.594 7.854 1.00 0.00 C ATOM 1089 NH1 ARG A 69 9.850 -10.773 7.336 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.675 -9.334 9.071 1.00 0.00 N ATOM 0 H ARG A 69 7.093 -8.323 2.546 1.00 0.00 H new ATOM 0 HA ARG A 69 8.831 -6.457 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.352 -8.794 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.445 -9.439 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.084 -9.122 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.008 -7.433 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.035 -6.829 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.849 -8.114 6.210 1.00 0.00 H new ATOM 0 HE ARG A 69 11.663 -8.492 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.156 -10.975 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.376 -11.492 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.844 -8.413 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.201 -10.052 9.619 1.00 0.00 H new ATOM 1104 N TYR A 70 10.193 -7.892 0.901 1.00 0.00 N ATOM 1105 CA TYR A 70 11.330 -7.735 -0.052 1.00 0.00 C ATOM 1106 C TYR A 70 11.134 -6.484 -0.913 1.00 0.00 C ATOM 1107 O TYR A 70 12.058 -5.726 -1.136 1.00 0.00 O ATOM 1108 CB TYR A 70 11.424 -8.966 -0.958 1.00 0.00 C ATOM 1109 CG TYR A 70 10.043 -9.373 -1.421 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.476 -8.767 -2.549 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.334 -10.361 -0.727 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.199 -9.147 -2.980 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.057 -10.741 -1.159 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.491 -10.133 -2.286 1.00 0.00 C ATOM 1115 OH TYR A 70 6.234 -10.508 -2.712 1.00 0.00 O ATOM 0 H TYR A 70 9.506 -8.602 0.646 1.00 0.00 H new ATOM 0 HA TYR A 70 12.252 -7.633 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.055 -8.747 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.894 -9.789 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.023 -8.007 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.772 -10.830 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.761 -8.678 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.509 -11.502 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 70 5.556 -10.021 -2.199 1.00 0.00 H new ATOM 1125 N LEU A 71 9.947 -6.259 -1.401 1.00 0.00 N ATOM 1126 CA LEU A 71 9.711 -5.056 -2.245 1.00 0.00 C ATOM 1127 C LEU A 71 10.004 -3.800 -1.424 1.00 0.00 C ATOM 1128 O LEU A 71 10.882 -3.024 -1.745 1.00 0.00 O ATOM 1129 CB LEU A 71 8.252 -5.041 -2.708 1.00 0.00 C ATOM 1130 CG LEU A 71 8.102 -5.906 -3.959 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.645 -5.887 -4.422 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.995 -5.348 -5.066 1.00 0.00 C ATOM 0 H LEU A 71 9.132 -6.854 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 71 10.366 -5.081 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.604 -5.415 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.938 -4.019 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 71 8.396 -6.931 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.539 -6.504 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.007 -6.280 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.350 -4.863 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.892 -5.962 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.698 -4.324 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.034 -5.360 -4.736 1.00 0.00 H new ATOM 1144 N ALA A 72 9.278 -3.599 -0.361 1.00 0.00 N ATOM 1145 CA ALA A 72 9.511 -2.402 0.492 1.00 0.00 C ATOM 1146 C ALA A 72 10.956 -2.408 0.993 1.00 0.00 C ATOM 1147 O ALA A 72 11.532 -1.373 1.265 1.00 0.00 O ATOM 1148 CB ALA A 72 8.556 -2.442 1.687 1.00 0.00 C ATOM 0 H ALA A 72 8.529 -4.216 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 72 9.333 -1.497 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.723 -1.567 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.526 -2.442 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.738 -3.346 2.268 1.00 0.00 H new ATOM 1154 N ASP A 73 11.550 -3.566 1.116 1.00 0.00 N ATOM 1155 CA ASP A 73 12.958 -3.630 1.599 1.00 0.00 C ATOM 1156 C ASP A 73 13.882 -3.012 0.550 1.00 0.00 C ATOM 1157 O ASP A 73 14.848 -2.348 0.872 1.00 0.00 O ATOM 1158 CB ASP A 73 13.355 -5.089 1.829 1.00 0.00 C ATOM 1159 CG ASP A 73 13.148 -5.450 3.302 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.096 -4.539 4.112 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.045 -6.630 3.593 1.00 0.00 O ATOM 0 H ASP A 73 11.121 -4.467 0.903 1.00 0.00 H new ATOM 0 HA ASP A 73 13.046 -3.079 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.756 -5.744 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.397 -5.241 1.550 1.00 0.00 H new ATOM 1166 N ALA A 74 13.594 -3.224 -0.704 1.00 0.00 N ATOM 1167 CA ALA A 74 14.455 -2.649 -1.775 1.00 0.00 C ATOM 1168 C ALA A 74 14.650 -1.151 -1.526 1.00 0.00 C ATOM 1169 O ALA A 74 13.864 -0.533 -0.837 1.00 0.00 O ATOM 1170 CB ALA A 74 13.780 -2.850 -3.132 1.00 0.00 C ATOM 0 H ALA A 74 12.799 -3.771 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 74 15.423 -3.149 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.409 -2.430 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.637 -3.915 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.812 -2.348 -3.135 1.00 0.00 H new ATOM 1176 N PRO A 75 15.694 -0.610 -2.101 1.00 0.00 N ATOM 1177 CA PRO A 75 16.003 0.806 -1.961 1.00 0.00 C ATOM 1178 C PRO A 75 14.763 1.649 -2.275 1.00 0.00 C ATOM 1179 O PRO A 75 13.810 1.173 -2.859 1.00 0.00 O ATOM 1180 CB PRO A 75 17.102 1.059 -2.989 1.00 0.00 C ATOM 1181 CG PRO A 75 17.768 -0.343 -3.166 1.00 0.00 C ATOM 1182 CD PRO A 75 16.634 -1.382 -2.929 1.00 0.00 C ATOM 0 HA PRO A 75 16.315 1.072 -0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.694 1.431 -3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.818 1.801 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.195 -0.450 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.582 -0.482 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.180 -1.714 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.995 -2.273 -2.416 1.00 0.00 H new ATOM 1190 N GLN A 76 14.768 2.897 -1.893 1.00 0.00 N ATOM 1191 CA GLN A 76 13.588 3.765 -2.172 1.00 0.00 C ATOM 1192 C GLN A 76 14.042 5.018 -2.923 1.00 0.00 C ATOM 1193 O GLN A 76 13.501 6.091 -2.747 1.00 0.00 O ATOM 1194 CB GLN A 76 12.930 4.170 -0.851 1.00 0.00 C ATOM 1195 CG GLN A 76 12.940 2.981 0.111 1.00 0.00 C ATOM 1196 CD GLN A 76 13.816 3.311 1.322 1.00 0.00 C ATOM 1197 OE1 GLN A 76 14.923 2.823 1.435 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.365 4.125 2.236 1.00 0.00 N ATOM 0 H GLN A 76 15.536 3.353 -1.401 1.00 0.00 H new ATOM 0 HA GLN A 76 12.870 3.218 -2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.463 5.012 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.906 4.499 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.924 2.753 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.320 2.093 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.436 4.534 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.942 4.352 3.046 1.00 0.00 H new ATOM 1207 N GLN A 77 15.025 4.888 -3.769 1.00 0.00 N ATOM 1208 CA GLN A 77 15.516 6.065 -4.539 1.00 0.00 C ATOM 1209 C GLN A 77 16.888 5.735 -5.132 1.00 0.00 C ATOM 1210 O GLN A 77 17.361 4.620 -5.045 1.00 0.00 O ATOM 1211 CB GLN A 77 15.657 7.281 -3.613 1.00 0.00 C ATOM 1212 CG GLN A 77 16.275 6.849 -2.280 1.00 0.00 C ATOM 1213 CD GLN A 77 15.441 7.409 -1.126 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.444 6.831 -0.743 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.812 8.520 -0.550 1.00 0.00 N ATOM 0 H GLN A 77 15.512 4.013 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 77 14.804 6.296 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.282 8.039 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.681 7.734 -3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.314 5.761 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.301 7.209 -2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.649 9.006 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.265 8.902 0.221 1.00 0.00 H new ATOM 1224 N ASP A 78 17.534 6.702 -5.721 1.00 0.00 N ATOM 1225 CA ASP A 78 18.884 6.454 -6.305 1.00 0.00 C ATOM 1226 C ASP A 78 19.877 7.457 -5.699 1.00 0.00 C ATOM 1227 O ASP A 78 19.498 8.280 -4.890 1.00 0.00 O ATOM 1228 CB ASP A 78 18.821 6.625 -7.825 1.00 0.00 C ATOM 1229 CG ASP A 78 19.367 5.371 -8.506 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.309 4.317 -7.895 1.00 0.00 O ATOM 1231 OD2 ASP A 78 19.834 5.486 -9.627 1.00 0.00 O ATOM 0 H ASP A 78 17.186 7.655 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 78 19.211 5.439 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.792 6.802 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.401 7.497 -8.127 1.00 0.00 H new ATOM 1236 N PRO A 79 21.122 7.351 -6.093 1.00 0.00 N ATOM 1237 CA PRO A 79 22.171 8.230 -5.586 1.00 0.00 C ATOM 1238 C PRO A 79 21.770 9.701 -5.740 1.00 0.00 C ATOM 1239 O PRO A 79 22.243 10.559 -5.022 1.00 0.00 O ATOM 1240 CB PRO A 79 23.387 7.909 -6.451 1.00 0.00 C ATOM 1241 CG PRO A 79 23.111 6.451 -6.930 1.00 0.00 C ATOM 1242 CD PRO A 79 21.568 6.350 -7.072 1.00 0.00 C ATOM 0 HA PRO A 79 22.363 8.076 -4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.477 8.598 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.314 7.977 -5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.607 6.249 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.488 5.723 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.232 6.585 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.198 5.352 -6.837 1.00 0.00 H new ATOM 1250 N GLU A 80 20.904 10.000 -6.668 1.00 0.00 N ATOM 1251 CA GLU A 80 20.481 11.417 -6.860 1.00 0.00 C ATOM 1252 C GLU A 80 19.262 11.711 -5.984 1.00 0.00 C ATOM 1253 O GLU A 80 19.038 12.830 -5.566 1.00 0.00 O ATOM 1254 CB GLU A 80 20.120 11.647 -8.330 1.00 0.00 C ATOM 1255 CG GLU A 80 19.873 13.138 -8.568 1.00 0.00 C ATOM 1256 CD GLU A 80 21.199 13.829 -8.891 1.00 0.00 C ATOM 1257 OE1 GLU A 80 21.708 13.613 -9.978 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.683 14.565 -8.045 1.00 0.00 O ATOM 0 H GLU A 80 20.471 9.327 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 80 21.299 12.080 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.926 11.294 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.230 11.074 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 80 19.170 13.275 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.422 13.589 -7.684 1.00 0.00 H new ATOM 1265 N GLY A 81 18.470 10.713 -5.703 1.00 0.00 N ATOM 1266 CA GLY A 81 17.263 10.930 -4.856 1.00 0.00 C ATOM 1267 C GLY A 81 16.029 10.422 -5.598 1.00 0.00 C ATOM 1268 O GLY A 81 15.046 10.046 -4.993 1.00 0.00 O ATOM 0 H GLY A 81 18.607 9.755 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.372 10.406 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.152 11.989 -4.625 1.00 0.00 H new ATOM 1272 N ASN A 82 16.079 10.403 -6.905 1.00 0.00 N ATOM 1273 CA ASN A 82 14.913 9.908 -7.692 1.00 0.00 C ATOM 1274 C ASN A 82 14.337 8.672 -7.003 1.00 0.00 C ATOM 1275 O ASN A 82 14.823 7.572 -7.173 1.00 0.00 O ATOM 1276 CB ASN A 82 15.358 9.536 -9.114 1.00 0.00 C ATOM 1277 CG ASN A 82 16.805 9.030 -9.105 1.00 0.00 C ATOM 1278 OD1 ASN A 82 17.377 8.790 -8.061 1.00 0.00 O ATOM 1279 ND2 ASN A 82 17.424 8.851 -10.240 1.00 0.00 N ATOM 0 H ASN A 82 16.878 10.709 -7.460 1.00 0.00 H new ATOM 0 HA ASN A 82 14.157 10.691 -7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.700 8.767 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.274 10.404 -9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.385 8.510 -10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 82 16.946 9.052 -11.119 1.00 0.00 H new ATOM 1286 N LYS A 83 13.316 8.852 -6.210 1.00 0.00 N ATOM 1287 CA LYS A 83 12.716 7.700 -5.488 1.00 0.00 C ATOM 1288 C LYS A 83 12.652 6.479 -6.395 1.00 0.00 C ATOM 1289 O LYS A 83 12.559 6.584 -7.601 1.00 0.00 O ATOM 1290 CB LYS A 83 11.317 8.068 -5.023 1.00 0.00 C ATOM 1291 CG LYS A 83 11.427 8.777 -3.678 1.00 0.00 C ATOM 1292 CD LYS A 83 11.044 10.245 -3.844 1.00 0.00 C ATOM 1293 CE LYS A 83 9.755 10.530 -3.070 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.365 11.956 -3.264 1.00 0.00 N ATOM 0 H LYS A 83 12.871 9.753 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 83 13.338 7.460 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.832 8.715 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.701 7.174 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.773 8.300 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.444 8.697 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.848 10.884 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.905 10.478 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.957 9.873 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.901 10.323 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.489 12.151 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.124 12.574 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.209 12.139 -4.276 1.00 0.00 H new ATOM 1308 N THR A 84 12.704 5.318 -5.815 1.00 0.00 N ATOM 1309 CA THR A 84 12.654 4.075 -6.626 1.00 0.00 C ATOM 1310 C THR A 84 11.370 3.314 -6.310 1.00 0.00 C ATOM 1311 O THR A 84 11.083 2.997 -5.171 1.00 0.00 O ATOM 1312 CB THR A 84 13.865 3.205 -6.292 1.00 0.00 C ATOM 1313 OG1 THR A 84 14.984 4.038 -6.026 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.184 2.296 -7.474 1.00 0.00 C ATOM 0 H THR A 84 12.779 5.175 -4.808 1.00 0.00 H new ATOM 0 HA THR A 84 12.671 4.327 -7.686 1.00 0.00 H new ATOM 0 HB THR A 84 13.643 2.597 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.762 3.482 -5.812 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.048 1.676 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.326 1.657 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.406 2.904 -8.351 1.00 0.00 H new ATOM 1322 N MET A 85 10.589 3.018 -7.309 1.00 0.00 N ATOM 1323 CA MET A 85 9.327 2.279 -7.054 1.00 0.00 C ATOM 1324 C MET A 85 9.500 0.825 -7.488 1.00 0.00 C ATOM 1325 O MET A 85 10.525 0.441 -8.012 1.00 0.00 O ATOM 1326 CB MET A 85 8.165 2.950 -7.812 1.00 0.00 C ATOM 1327 CG MET A 85 8.019 2.364 -9.218 1.00 0.00 C ATOM 1328 SD MET A 85 6.453 2.906 -9.937 1.00 0.00 S ATOM 1329 CE MET A 85 5.681 1.271 -9.989 1.00 0.00 C ATOM 0 H MET A 85 10.769 3.255 -8.285 1.00 0.00 H new ATOM 0 HA MET A 85 9.092 2.300 -5.990 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.236 2.812 -7.258 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.340 4.024 -7.878 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.850 2.686 -9.846 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.054 1.275 -9.175 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.597 1.381 -10.025 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.021 0.736 -10.876 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.959 0.709 -9.098 1.00 0.00 H new ATOM 1339 N VAL A 86 8.511 0.011 -7.269 1.00 0.00 N ATOM 1340 CA VAL A 86 8.634 -1.415 -7.667 1.00 0.00 C ATOM 1341 C VAL A 86 8.255 -1.578 -9.141 1.00 0.00 C ATOM 1342 O VAL A 86 7.526 -0.787 -9.704 1.00 0.00 O ATOM 1343 CB VAL A 86 7.704 -2.263 -6.798 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.556 -3.658 -7.409 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.292 -2.383 -5.391 1.00 0.00 C ATOM 0 H VAL A 86 7.626 0.269 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 86 9.664 -1.743 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 86 6.725 -1.787 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.893 -4.259 -6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.136 -3.574 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.534 -4.136 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.630 -2.987 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.272 -2.857 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.394 -1.390 -4.953 1.00 0.00 H new ATOM 1355 N ARG A 87 8.746 -2.611 -9.763 1.00 0.00 N ATOM 1356 CA ARG A 87 8.422 -2.863 -11.195 1.00 0.00 C ATOM 1357 C ARG A 87 8.270 -4.372 -11.386 1.00 0.00 C ATOM 1358 O ARG A 87 8.334 -5.130 -10.437 1.00 0.00 O ATOM 1359 CB ARG A 87 9.550 -2.350 -12.091 1.00 0.00 C ATOM 1360 CG ARG A 87 9.991 -0.966 -11.616 1.00 0.00 C ATOM 1361 CD ARG A 87 8.986 0.075 -12.108 1.00 0.00 C ATOM 1362 NE ARG A 87 9.704 1.331 -12.462 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.601 1.826 -13.666 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.516 2.459 -14.020 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.582 1.685 -14.515 1.00 0.00 N ATOM 0 H ARG A 87 9.365 -3.300 -9.336 1.00 0.00 H new ATOM 0 HA ARG A 87 7.502 -2.344 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.393 -3.041 -12.064 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.212 -2.300 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.053 -0.944 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.986 -0.737 -11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.448 -0.306 -12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.244 0.273 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 87 10.277 1.805 -11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.749 2.567 -13.356 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.435 2.846 -14.960 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.429 1.188 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.502 2.071 -15.456 1.00 0.00 H new ATOM 1379 N PHE A 88 8.079 -4.827 -12.591 1.00 0.00 N ATOM 1380 CA PHE A 88 7.938 -6.295 -12.800 1.00 0.00 C ATOM 1381 C PHE A 88 8.643 -6.713 -14.089 1.00 0.00 C ATOM 1382 O PHE A 88 8.543 -6.059 -15.107 1.00 0.00 O ATOM 1383 CB PHE A 88 6.460 -6.672 -12.895 1.00 0.00 C ATOM 1384 CG PHE A 88 6.344 -8.171 -13.034 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.482 -8.989 -11.907 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.101 -8.742 -14.290 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.378 -10.379 -12.035 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.999 -10.132 -14.417 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.138 -10.950 -13.290 1.00 0.00 C ATOM 0 H PHE A 88 8.015 -4.254 -13.433 1.00 0.00 H new ATOM 0 HA PHE A 88 8.392 -6.809 -11.953 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.927 -6.334 -12.006 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.999 -6.178 -13.750 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.669 -8.548 -10.939 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.993 -8.110 -15.159 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.483 -11.011 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.813 -10.573 -15.385 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.060 -12.023 -13.389 1.00 0.00 H new ATOM 1399 N SER A 89 9.346 -7.809 -14.050 1.00 0.00 N ATOM 1400 CA SER A 89 10.049 -8.292 -15.267 1.00 0.00 C ATOM 1401 C SER A 89 9.467 -9.648 -15.666 1.00 0.00 C ATOM 1402 O SER A 89 9.275 -10.517 -14.838 1.00 0.00 O ATOM 1403 CB SER A 89 11.542 -8.441 -14.971 1.00 0.00 C ATOM 1404 OG SER A 89 12.123 -7.152 -14.826 1.00 0.00 O ATOM 0 H SER A 89 9.464 -8.393 -13.222 1.00 0.00 H new ATOM 0 HA SER A 89 9.916 -7.578 -16.080 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.688 -9.023 -14.061 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.032 -8.985 -15.779 1.00 0.00 H new ATOM 0 HG SER A 89 11.420 -6.496 -14.636 1.00 0.00 H new ATOM 1410 N ARG A 90 9.183 -9.837 -16.925 1.00 0.00 N ATOM 1411 CA ARG A 90 8.609 -11.138 -17.368 1.00 0.00 C ATOM 1412 C ARG A 90 9.747 -12.093 -17.722 1.00 0.00 C ATOM 1413 O ARG A 90 9.560 -13.291 -17.808 1.00 0.00 O ATOM 1414 CB ARG A 90 7.723 -10.917 -18.596 1.00 0.00 C ATOM 1415 CG ARG A 90 6.801 -9.719 -18.353 1.00 0.00 C ATOM 1416 CD ARG A 90 6.530 -9.008 -19.680 1.00 0.00 C ATOM 1417 NE ARG A 90 6.376 -7.546 -19.437 1.00 0.00 N ATOM 1418 CZ ARG A 90 5.532 -6.850 -20.150 1.00 0.00 C ATOM 1419 NH1 ARG A 90 5.890 -6.389 -21.317 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.331 -6.618 -19.696 1.00 0.00 N ATOM 0 H ARG A 90 9.323 -9.149 -17.664 1.00 0.00 H new ATOM 0 HA ARG A 90 8.008 -11.566 -16.565 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.341 -10.741 -19.476 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.131 -11.810 -18.796 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.863 -10.052 -17.908 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.262 -9.029 -17.646 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.350 -9.188 -20.375 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.627 -9.408 -20.142 1.00 0.00 H new ATOM 0 HE ARG A 90 6.930 -7.089 -18.713 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.829 -6.572 -21.672 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.231 -5.845 -21.875 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.052 -6.980 -18.784 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.672 -6.074 -20.253 1.00 0.00 H new ATOM 1434 N LYS A 91 10.928 -11.576 -17.919 1.00 0.00 N ATOM 1435 CA LYS A 91 12.076 -12.458 -18.255 1.00 0.00 C ATOM 1436 C LYS A 91 12.302 -13.440 -17.105 1.00 0.00 C ATOM 1437 O LYS A 91 12.872 -14.499 -17.280 1.00 0.00 O ATOM 1438 CB LYS A 91 13.334 -11.609 -18.456 1.00 0.00 C ATOM 1439 CG LYS A 91 13.344 -11.038 -19.874 1.00 0.00 C ATOM 1440 CD LYS A 91 12.231 -9.997 -20.014 1.00 0.00 C ATOM 1441 CE LYS A 91 12.460 -8.865 -19.011 1.00 0.00 C ATOM 1442 NZ LYS A 91 13.844 -8.336 -19.168 1.00 0.00 N ATOM 0 H LYS A 91 11.146 -10.581 -17.861 1.00 0.00 H new ATOM 0 HA LYS A 91 11.862 -13.006 -19.173 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.359 -10.799 -17.727 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.225 -12.215 -18.291 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.311 -10.583 -20.087 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.201 -11.838 -20.600 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.216 -9.600 -21.029 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.261 -10.461 -19.839 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.734 -8.068 -19.173 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.311 -9.230 -17.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.905 -7.390 -18.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.515 -8.974 -18.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.080 -8.274 -20.179 1.00 0.00 H new ATOM 1456 N THR A 92 11.855 -13.095 -15.928 1.00 0.00 N ATOM 1457 CA THR A 92 12.040 -14.007 -14.764 1.00 0.00 C ATOM 1458 C THR A 92 10.835 -13.894 -13.829 1.00 0.00 C ATOM 1459 O THR A 92 10.857 -14.381 -12.716 1.00 0.00 O ATOM 1460 CB THR A 92 13.311 -13.614 -14.006 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.452 -12.200 -14.024 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.525 -14.259 -14.673 1.00 0.00 C ATOM 0 H THR A 92 11.370 -12.222 -15.723 1.00 0.00 H new ATOM 0 HA THR A 92 12.129 -15.034 -15.118 1.00 0.00 H new ATOM 0 HB THR A 92 13.241 -13.959 -12.975 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.635 -11.878 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.429 -13.978 -14.132 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.415 -15.343 -14.658 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.598 -13.916 -15.705 1.00 0.00 H new ATOM 1470 N LYS A 93 9.784 -13.256 -14.269 1.00 0.00 N ATOM 1471 CA LYS A 93 8.584 -13.113 -13.399 1.00 0.00 C ATOM 1472 C LYS A 93 9.024 -12.733 -11.985 1.00 0.00 C ATOM 1473 O LYS A 93 8.903 -13.511 -11.059 1.00 0.00 O ATOM 1474 CB LYS A 93 7.822 -14.439 -13.359 1.00 0.00 C ATOM 1475 CG LYS A 93 6.742 -14.443 -14.442 1.00 0.00 C ATOM 1476 CD LYS A 93 5.365 -14.596 -13.793 1.00 0.00 C ATOM 1477 CE LYS A 93 5.300 -15.926 -13.041 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.437 -16.880 -13.794 1.00 0.00 N ATOM 0 H LYS A 93 9.706 -12.829 -15.192 1.00 0.00 H new ATOM 0 HA LYS A 93 7.935 -12.334 -13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.510 -15.270 -13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.368 -14.580 -12.378 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.784 -13.517 -15.015 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.918 -15.260 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.181 -13.769 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.586 -14.558 -14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.302 -16.339 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.900 -15.770 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.392 -17.785 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.479 -16.485 -13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.837 -17.037 -14.741 1.00 0.00 H new ATOM 1492 N GLN A 94 9.541 -11.548 -11.809 1.00 0.00 N ATOM 1493 CA GLN A 94 9.992 -11.130 -10.450 1.00 0.00 C ATOM 1494 C GLN A 94 9.700 -9.643 -10.237 1.00 0.00 C ATOM 1495 O GLN A 94 9.068 -9.001 -11.053 1.00 0.00 O ATOM 1496 CB GLN A 94 11.496 -11.377 -10.316 1.00 0.00 C ATOM 1497 CG GLN A 94 11.762 -12.882 -10.257 1.00 0.00 C ATOM 1498 CD GLN A 94 13.173 -13.172 -10.771 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.861 -12.282 -11.228 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.636 -14.392 -10.716 1.00 0.00 N ATOM 0 H GLN A 94 9.671 -10.853 -12.544 1.00 0.00 H new ATOM 0 HA GLN A 94 9.455 -11.711 -9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.025 -10.936 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.876 -10.894 -9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.656 -13.241 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.027 -13.416 -10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.058 -15.140 -10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.575 -14.597 -11.057 1.00 0.00 H new ATOM 1509 N GLN A 95 10.157 -9.089 -9.145 1.00 0.00 N ATOM 1510 CA GLN A 95 9.906 -7.644 -8.880 1.00 0.00 C ATOM 1511 C GLN A 95 11.228 -6.875 -8.908 1.00 0.00 C ATOM 1512 O GLN A 95 12.142 -7.160 -8.158 1.00 0.00 O ATOM 1513 CB GLN A 95 9.256 -7.473 -7.502 1.00 0.00 C ATOM 1514 CG GLN A 95 7.884 -6.816 -7.662 1.00 0.00 C ATOM 1515 CD GLN A 95 6.991 -7.702 -8.532 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.407 -8.752 -8.979 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.771 -7.319 -8.794 1.00 0.00 N ATOM 0 H GLN A 95 10.693 -9.575 -8.426 1.00 0.00 H new ATOM 0 HA GLN A 95 9.239 -7.255 -9.650 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.152 -8.442 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.892 -6.861 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.425 -6.667 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.992 -5.832 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.422 -6.437 -8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.167 -7.901 -9.374 1.00 0.00 H new ATOM 1526 N TYR A 96 11.331 -5.891 -9.759 1.00 0.00 N ATOM 1527 CA TYR A 96 12.584 -5.089 -9.827 1.00 0.00 C ATOM 1528 C TYR A 96 12.227 -3.614 -9.625 1.00 0.00 C ATOM 1529 O TYR A 96 11.284 -3.118 -10.197 1.00 0.00 O ATOM 1530 CB TYR A 96 13.256 -5.295 -11.191 1.00 0.00 C ATOM 1531 CG TYR A 96 12.545 -4.488 -12.254 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.857 -3.134 -12.429 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.583 -5.095 -13.069 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.204 -2.387 -13.417 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.931 -4.349 -14.057 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.241 -2.995 -14.232 1.00 0.00 C ATOM 1537 OH TYR A 96 10.599 -2.259 -15.206 1.00 0.00 O ATOM 0 H TYR A 96 10.600 -5.608 -10.411 1.00 0.00 H new ATOM 0 HA TYR A 96 13.279 -5.406 -9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.303 -4.996 -11.137 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.240 -6.352 -11.456 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.601 -2.666 -11.802 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.344 -6.140 -12.935 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.443 -1.342 -13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.188 -4.818 -14.685 1.00 0.00 H new ATOM 0 HH TYR A 96 9.962 -2.832 -15.682 1.00 0.00 H new ATOM 1547 N VAL A 97 12.958 -2.908 -8.809 1.00 0.00 N ATOM 1548 CA VAL A 97 12.622 -1.472 -8.576 1.00 0.00 C ATOM 1549 C VAL A 97 13.333 -0.599 -9.606 1.00 0.00 C ATOM 1550 O VAL A 97 14.249 -1.029 -10.275 1.00 0.00 O ATOM 1551 CB VAL A 97 13.072 -1.056 -7.174 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.054 -1.540 -6.144 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.438 -1.675 -6.869 1.00 0.00 C ATOM 0 H VAL A 97 13.767 -3.257 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 97 11.544 -1.343 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 97 13.147 0.030 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.376 -1.243 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.081 -1.097 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.977 -2.626 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.757 -1.378 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.364 -2.761 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.167 -1.327 -7.601 1.00 0.00 H new ATOM 1563 N SER A 98 12.910 0.628 -9.738 1.00 0.00 N ATOM 1564 CA SER A 98 13.554 1.541 -10.721 1.00 0.00 C ATOM 1565 C SER A 98 13.449 2.986 -10.220 1.00 0.00 C ATOM 1566 O SER A 98 12.371 3.493 -9.977 1.00 0.00 O ATOM 1567 CB SER A 98 12.847 1.411 -12.070 1.00 0.00 C ATOM 1568 OG SER A 98 13.667 0.663 -12.960 1.00 0.00 O ATOM 0 H SER A 98 12.143 1.038 -9.205 1.00 0.00 H new ATOM 0 HA SER A 98 14.605 1.275 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.884 0.917 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.646 2.399 -12.485 1.00 0.00 H new ATOM 0 HG SER A 98 14.558 1.069 -13.003 1.00 0.00 H new ATOM 1574 N SER A 99 14.563 3.651 -10.062 1.00 0.00 N ATOM 1575 CA SER A 99 14.533 5.062 -9.577 1.00 0.00 C ATOM 1576 C SER A 99 13.852 5.942 -10.629 1.00 0.00 C ATOM 1577 O SER A 99 13.757 5.579 -11.785 1.00 0.00 O ATOM 1578 CB SER A 99 15.961 5.557 -9.347 1.00 0.00 C ATOM 1579 OG SER A 99 16.614 4.691 -8.427 1.00 0.00 O ATOM 0 H SER A 99 15.494 3.277 -10.248 1.00 0.00 H new ATOM 0 HA SER A 99 13.979 5.113 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.506 5.582 -10.291 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.947 6.576 -8.959 1.00 0.00 H new ATOM 0 HG SER A 99 16.018 4.507 -7.671 1.00 0.00 H new ATOM 1585 N GLU A 100 13.379 7.095 -10.242 1.00 0.00 N ATOM 1586 CA GLU A 100 12.709 7.992 -11.226 1.00 0.00 C ATOM 1587 C GLU A 100 12.904 9.449 -10.804 1.00 0.00 C ATOM 1588 O GLU A 100 12.781 9.791 -9.645 1.00 0.00 O ATOM 1589 CB GLU A 100 11.214 7.670 -11.273 1.00 0.00 C ATOM 1590 CG GLU A 100 10.955 6.592 -12.328 1.00 0.00 C ATOM 1591 CD GLU A 100 9.478 6.196 -12.303 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.093 5.472 -11.400 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.755 6.626 -13.188 1.00 0.00 O ATOM 0 H GLU A 100 13.427 7.454 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 100 13.145 7.839 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.875 7.326 -10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.645 8.569 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.226 6.963 -13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.579 5.720 -12.133 1.00 0.00 H new ATOM 1600 N LYS A 101 13.205 10.313 -11.735 1.00 0.00 N ATOM 1601 CA LYS A 101 13.406 11.746 -11.384 1.00 0.00 C ATOM 1602 C LYS A 101 12.252 12.582 -11.932 1.00 0.00 C ATOM 1603 O LYS A 101 12.219 12.922 -13.096 1.00 0.00 O ATOM 1604 CB LYS A 101 14.715 12.237 -11.970 1.00 0.00 C ATOM 1605 CG LYS A 101 15.590 12.705 -10.815 1.00 0.00 C ATOM 1606 CD LYS A 101 17.025 12.254 -11.050 1.00 0.00 C ATOM 1607 CE LYS A 101 17.906 13.470 -11.345 1.00 0.00 C ATOM 1608 NZ LYS A 101 19.306 13.021 -11.587 1.00 0.00 N ATOM 0 H LYS A 101 13.320 10.088 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 101 13.436 11.847 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.209 11.440 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.539 13.052 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.548 13.791 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.219 12.297 -9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.399 11.726 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.064 11.553 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.528 14.004 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.876 14.167 -10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.968 13.731 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.467 12.112 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.462 12.907 -12.609 1.00 0.00 H new ATOM 1622 N ASP A 102 11.305 12.916 -11.098 1.00 0.00 N ATOM 1623 CA ASP A 102 10.153 13.730 -11.572 1.00 0.00 C ATOM 1624 C ASP A 102 9.316 12.907 -12.544 1.00 0.00 C ATOM 1625 O ASP A 102 8.362 12.255 -12.170 1.00 0.00 O ATOM 1626 CB ASP A 102 10.671 14.985 -12.279 1.00 0.00 C ATOM 1627 CG ASP A 102 10.447 16.205 -11.385 1.00 0.00 C ATOM 1628 OD1 ASP A 102 11.235 16.403 -10.476 1.00 0.00 O ATOM 1629 OD2 ASP A 102 9.489 16.923 -11.626 1.00 0.00 O ATOM 0 H ASP A 102 11.280 12.660 -10.111 1.00 0.00 H new ATOM 0 HA ASP A 102 9.539 14.021 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.732 14.876 -12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.155 15.118 -13.230 1.00 0.00 H new ATOM 1634 N GLY A 103 9.675 12.936 -13.788 1.00 0.00 N ATOM 1635 CA GLY A 103 8.916 12.161 -14.809 1.00 0.00 C ATOM 1636 C GLY A 103 9.816 11.890 -16.017 1.00 0.00 C ATOM 1637 O GLY A 103 9.367 11.868 -17.145 1.00 0.00 O ATOM 0 H GLY A 103 10.468 13.466 -14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.569 11.220 -14.383 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.031 12.717 -15.119 1.00 0.00 H new ATOM 1641 N LYS A 104 11.085 11.685 -15.789 1.00 0.00 N ATOM 1642 CA LYS A 104 12.012 11.418 -16.925 1.00 0.00 C ATOM 1643 C LYS A 104 12.522 9.977 -16.842 1.00 0.00 C ATOM 1644 O LYS A 104 13.312 9.543 -17.655 1.00 0.00 O ATOM 1645 CB LYS A 104 13.197 12.384 -16.853 1.00 0.00 C ATOM 1646 CG LYS A 104 14.113 11.985 -15.693 1.00 0.00 C ATOM 1647 CD LYS A 104 14.654 13.244 -15.014 1.00 0.00 C ATOM 1648 CE LYS A 104 15.267 14.170 -16.066 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.533 13.571 -16.577 1.00 0.00 N ATOM 0 H LYS A 104 11.519 11.691 -14.866 1.00 0.00 H new ATOM 0 HA LYS A 104 11.483 11.561 -17.867 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.752 12.366 -17.791 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.840 13.404 -16.714 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.563 11.379 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.938 11.374 -16.060 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.851 13.758 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.404 12.975 -14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.566 14.320 -16.887 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.465 15.150 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.003 14.244 -17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.162 13.355 -15.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.318 12.695 -17.095 1.00 0.00 H new ATOM 1663 N ALA A 105 12.079 9.232 -15.865 1.00 0.00 N ATOM 1664 CA ALA A 105 12.544 7.822 -15.736 1.00 0.00 C ATOM 1665 C ALA A 105 14.058 7.767 -15.949 1.00 0.00 C ATOM 1666 O ALA A 105 14.533 7.397 -17.004 1.00 0.00 O ATOM 1667 CB ALA A 105 11.848 6.956 -16.787 1.00 0.00 C ATOM 0 H ALA A 105 11.417 9.539 -15.152 1.00 0.00 H new ATOM 0 HA ALA A 105 12.302 7.447 -14.742 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.188 5.925 -16.692 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.769 6.997 -16.636 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.090 7.328 -17.783 1.00 0.00 H new ATOM 1673 N THR A 106 14.819 8.136 -14.956 1.00 0.00 N ATOM 1674 CA THR A 106 16.301 8.109 -15.101 1.00 0.00 C ATOM 1675 C THR A 106 16.724 6.809 -15.790 1.00 0.00 C ATOM 1676 O THR A 106 17.119 6.805 -16.939 1.00 0.00 O ATOM 1677 CB THR A 106 16.951 8.190 -13.717 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.103 7.566 -12.762 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.161 9.656 -13.337 1.00 0.00 C ATOM 0 H THR A 106 14.478 8.455 -14.049 1.00 0.00 H new ATOM 0 HA THR A 106 16.622 8.959 -15.703 1.00 0.00 H new ATOM 0 HB THR A 106 17.915 7.681 -13.735 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.647 7.185 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.624 9.714 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.810 10.133 -14.071 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.199 10.168 -13.317 1.00 0.00 H new ATOM 1687 N GLY A 107 16.643 5.705 -15.098 1.00 0.00 N ATOM 1688 CA GLY A 107 17.041 4.410 -15.718 1.00 0.00 C ATOM 1689 C GLY A 107 17.383 3.400 -14.621 1.00 0.00 C ATOM 1690 O GLY A 107 17.313 2.204 -14.822 1.00 0.00 O ATOM 0 H GLY A 107 16.319 5.644 -14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.230 4.028 -16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.901 4.557 -16.372 1.00 0.00 H new ATOM 1694 N TRP A 108 17.755 3.871 -13.462 1.00 0.00 N ATOM 1695 CA TRP A 108 18.101 2.936 -12.355 1.00 0.00 C ATOM 1696 C TRP A 108 17.057 1.822 -12.285 1.00 0.00 C ATOM 1697 O TRP A 108 15.869 2.068 -12.326 1.00 0.00 O ATOM 1698 CB TRP A 108 18.121 3.697 -11.028 1.00 0.00 C ATOM 1699 CG TRP A 108 18.902 2.920 -10.018 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.245 2.974 -9.872 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.419 1.978 -9.012 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.619 2.131 -8.843 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.531 1.493 -8.282 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.140 1.501 -8.664 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.381 0.571 -7.246 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.988 0.572 -7.622 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.105 0.108 -6.915 1.00 0.00 C ATOM 0 H TRP A 108 17.834 4.862 -13.234 1.00 0.00 H new ATOM 0 HA TRP A 108 19.084 2.504 -12.540 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.567 4.682 -11.168 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.103 3.855 -10.672 1.00 0.00 H new ATOM 0 HD1 TRP A 108 20.917 3.578 -10.464 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.582 1.996 -8.535 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.271 1.852 -9.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.245 0.217 -6.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.003 0.213 -7.364 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.980 -0.607 -6.115 1.00 0.00 H new ATOM 1718 N SER A 109 17.490 0.596 -12.181 1.00 0.00 N ATOM 1719 CA SER A 109 16.521 -0.531 -12.107 1.00 0.00 C ATOM 1720 C SER A 109 17.149 -1.691 -11.331 1.00 0.00 C ATOM 1721 O SER A 109 17.913 -2.468 -11.870 1.00 0.00 O ATOM 1722 CB SER A 109 16.173 -0.996 -13.521 1.00 0.00 C ATOM 1723 OG SER A 109 17.268 -1.726 -14.059 1.00 0.00 O ATOM 0 H SER A 109 18.473 0.327 -12.144 1.00 0.00 H new ATOM 0 HA SER A 109 15.615 -0.200 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.280 -1.620 -13.501 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.948 -0.137 -14.153 1.00 0.00 H new ATOM 0 HG SER A 109 17.362 -2.575 -13.579 1.00 0.00 H new ATOM 1729 N ALA A 110 16.838 -1.818 -10.069 1.00 0.00 N ATOM 1730 CA ALA A 110 17.424 -2.929 -9.269 1.00 0.00 C ATOM 1731 C ALA A 110 16.522 -4.159 -9.362 1.00 0.00 C ATOM 1732 O ALA A 110 15.331 -4.054 -9.575 1.00 0.00 O ATOM 1733 CB ALA A 110 17.550 -2.498 -7.807 1.00 0.00 C ATOM 0 H ALA A 110 16.205 -1.202 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 110 18.411 -3.173 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.979 -3.312 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.197 -1.623 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.564 -2.251 -7.414 1.00 0.00 H new ATOM 1739 N PHE A 111 17.083 -5.328 -9.208 1.00 0.00 N ATOM 1740 CA PHE A 111 16.258 -6.566 -9.295 1.00 0.00 C ATOM 1741 C PHE A 111 16.340 -7.345 -7.984 1.00 0.00 C ATOM 1742 O PHE A 111 17.396 -7.501 -7.406 1.00 0.00 O ATOM 1743 CB PHE A 111 16.775 -7.449 -10.435 1.00 0.00 C ATOM 1744 CG PHE A 111 16.888 -6.637 -11.700 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.996 -5.804 -11.897 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.891 -6.720 -12.678 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.107 -5.054 -13.072 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.003 -5.969 -13.855 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.110 -5.137 -14.051 1.00 0.00 C ATOM 0 H PHE A 111 18.075 -5.479 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 111 15.222 -6.285 -9.484 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.747 -7.866 -10.172 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.099 -8.290 -10.591 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.765 -5.741 -11.141 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.036 -7.362 -12.526 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.961 -4.411 -13.224 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.235 -6.032 -14.611 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.196 -4.558 -14.959 1.00 0.00 H new ATOM 1759 N TYR A 112 15.232 -7.846 -7.513 1.00 0.00 N ATOM 1760 CA TYR A 112 15.250 -8.622 -6.243 1.00 0.00 C ATOM 1761 C TYR A 112 15.596 -10.080 -6.547 1.00 0.00 C ATOM 1762 O TYR A 112 14.769 -10.835 -7.019 1.00 0.00 O ATOM 1763 CB TYR A 112 13.868 -8.557 -5.588 1.00 0.00 C ATOM 1764 CG TYR A 112 13.958 -9.083 -4.178 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.861 -8.509 -3.276 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.137 -10.142 -3.770 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.945 -8.992 -1.966 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.222 -10.626 -2.459 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.125 -10.050 -1.557 1.00 0.00 C ATOM 1770 OH TYR A 112 14.209 -10.527 -0.265 1.00 0.00 O ATOM 0 H TYR A 112 14.316 -7.752 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 112 15.995 -8.200 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.504 -7.530 -5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.153 -9.145 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.493 -7.692 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.439 -10.585 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.642 -8.549 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.591 -11.444 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 112 14.887 -10.019 0.228 1.00 0.00 H new ATOM 1780 N VAL A 113 16.805 -10.491 -6.274 1.00 0.00 N ATOM 1781 CA VAL A 113 17.180 -11.899 -6.543 1.00 0.00 C ATOM 1782 C VAL A 113 16.869 -12.721 -5.291 1.00 0.00 C ATOM 1783 O VAL A 113 15.916 -12.448 -4.597 1.00 0.00 O ATOM 1784 CB VAL A 113 18.673 -11.990 -6.888 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.931 -13.263 -7.695 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.090 -10.777 -7.730 1.00 0.00 C ATOM 0 H VAL A 113 17.544 -9.911 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 113 16.615 -12.286 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 113 19.250 -12.009 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.991 -13.329 -7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.640 -14.133 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.346 -13.236 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.151 -10.849 -7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.509 -10.757 -8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.907 -9.862 -7.166 1.00 0.00 H new ATOM 1796 N ASP A 114 17.671 -13.693 -4.971 1.00 0.00 N ATOM 1797 CA ASP A 114 17.403 -14.497 -3.743 1.00 0.00 C ATOM 1798 C ASP A 114 17.656 -13.586 -2.564 1.00 0.00 C ATOM 1799 O ASP A 114 18.757 -13.514 -2.055 1.00 0.00 O ATOM 1800 CB ASP A 114 18.351 -15.698 -3.688 1.00 0.00 C ATOM 1801 CG ASP A 114 19.773 -15.242 -4.024 1.00 0.00 C ATOM 1802 OD1 ASP A 114 20.435 -14.733 -3.134 1.00 0.00 O ATOM 1803 OD2 ASP A 114 20.174 -15.410 -5.162 1.00 0.00 O ATOM 0 H ASP A 114 18.498 -13.968 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 114 16.381 -14.875 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.327 -16.148 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.027 -16.463 -4.393 1.00 0.00 H new ATOM 1808 N GLY A 115 16.672 -12.825 -2.163 1.00 0.00 N ATOM 1809 CA GLY A 115 16.920 -11.857 -1.070 1.00 0.00 C ATOM 1810 C GLY A 115 18.179 -11.103 -1.480 1.00 0.00 C ATOM 1811 O GLY A 115 18.946 -10.636 -0.661 1.00 0.00 O ATOM 0 H GLY A 115 15.725 -12.835 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.077 -11.177 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.060 -12.367 -0.117 1.00 0.00 H new ATOM 1815 N LYS A 116 18.413 -11.033 -2.774 1.00 0.00 N ATOM 1816 CA LYS A 116 19.645 -10.369 -3.274 1.00 0.00 C ATOM 1817 C LYS A 116 19.312 -9.246 -4.256 1.00 0.00 C ATOM 1818 O LYS A 116 19.467 -9.398 -5.450 1.00 0.00 O ATOM 1819 CB LYS A 116 20.515 -11.404 -3.989 1.00 0.00 C ATOM 1820 CG LYS A 116 21.802 -11.631 -3.194 1.00 0.00 C ATOM 1821 CD LYS A 116 21.455 -12.017 -1.755 1.00 0.00 C ATOM 1822 CE LYS A 116 22.715 -12.507 -1.039 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.678 -13.993 -0.931 1.00 0.00 N ATOM 0 H LYS A 116 17.800 -11.409 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 116 20.172 -9.940 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.970 -12.342 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.753 -11.060 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.395 -12.418 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.411 -10.727 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.035 -11.160 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.694 -12.798 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.603 -12.193 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.779 -12.061 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.632 -14.376 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.349 -14.264 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.027 -14.377 -1.646 1.00 0.00 H new ATOM 1837 N TRP A 117 18.879 -8.111 -3.780 1.00 0.00 N ATOM 1838 CA TRP A 117 18.579 -7.002 -4.727 1.00 0.00 C ATOM 1839 C TRP A 117 19.813 -6.769 -5.601 1.00 0.00 C ATOM 1840 O TRP A 117 20.918 -7.112 -5.231 1.00 0.00 O ATOM 1841 CB TRP A 117 18.252 -5.728 -3.949 1.00 0.00 C ATOM 1842 CG TRP A 117 16.797 -5.713 -3.617 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.286 -5.877 -2.377 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.657 -5.527 -4.510 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.907 -5.811 -2.449 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.471 -5.593 -3.742 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.538 -5.311 -5.898 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.211 -5.449 -4.326 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.275 -5.164 -6.486 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.113 -5.232 -5.704 1.00 0.00 C ATOM 0 H TRP A 117 18.722 -7.906 -2.793 1.00 0.00 H new ATOM 0 HA TRP A 117 17.721 -7.262 -5.347 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.846 -5.683 -3.036 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.511 -4.850 -4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.861 -6.034 -1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.287 -5.911 -1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.425 -5.259 -6.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.320 -5.505 -3.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.196 -4.997 -7.550 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.143 -5.117 -6.165 1.00 0.00 H new ATOM 1861 N VAL A 118 19.639 -6.198 -6.758 1.00 0.00 N ATOM 1862 CA VAL A 118 20.810 -5.957 -7.650 1.00 0.00 C ATOM 1863 C VAL A 118 20.608 -4.645 -8.405 1.00 0.00 C ATOM 1864 O VAL A 118 19.650 -3.934 -8.184 1.00 0.00 O ATOM 1865 CB VAL A 118 20.943 -7.109 -8.656 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.957 -8.126 -8.143 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.595 -7.806 -8.832 1.00 0.00 C ATOM 0 H VAL A 118 18.740 -5.888 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 118 21.717 -5.899 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 118 21.275 -6.703 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.048 -8.942 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.926 -7.643 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.622 -8.521 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.698 -8.622 -9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.263 -8.204 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.861 -7.090 -9.202 1.00 0.00 H new ATOM 1877 N GLU A 119 21.504 -4.317 -9.296 1.00 0.00 N ATOM 1878 CA GLU A 119 21.362 -3.049 -10.065 1.00 0.00 C ATOM 1879 C GLU A 119 21.777 -3.285 -11.519 1.00 0.00 C ATOM 1880 O GLU A 119 22.929 -3.536 -11.812 1.00 0.00 O ATOM 1881 CB GLU A 119 22.259 -1.975 -9.446 1.00 0.00 C ATOM 1882 CG GLU A 119 21.851 -1.746 -7.990 1.00 0.00 C ATOM 1883 CD GLU A 119 23.068 -1.938 -7.083 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.871 -2.809 -7.379 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.178 -1.213 -6.108 1.00 0.00 O ATOM 0 H GLU A 119 22.328 -4.873 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 119 20.324 -2.718 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.303 -2.284 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.173 -1.046 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.448 -0.741 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.061 -2.442 -7.709 1.00 0.00 H new ATOM 1892 N GLY A 120 20.848 -3.206 -12.432 1.00 0.00 N ATOM 1893 CA GLY A 120 21.191 -3.426 -13.865 1.00 0.00 C ATOM 1894 C GLY A 120 21.187 -2.086 -14.604 1.00 0.00 C ATOM 1895 O GLY A 120 20.400 -1.864 -15.502 1.00 0.00 O ATOM 0 H GLY A 120 19.867 -2.999 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.171 -3.895 -13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.472 -4.107 -14.321 1.00 0.00 H new