USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 91 LYS NZ :NH3+ -160:sc= 1.98 (180deg=0.292) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= 0.732 USER MOD Set 2.1: A 17 GLN : amide:sc= 1.08 K(o=2.3,f=-4.8) USER MOD Set 2.2: A 20 LYS NZ :NH3+ 176:sc= 1.21 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -28:sc= 0.313 USER MOD Single : A 24 SER OG : rot 160:sc= -0.0704 USER MOD Single : A 27 HIS :FLIP no HD1:sc= 0.0417 F(o=-1.8,f=0.042) USER MOD Single : A 40 SER OG : rot -101:sc= 0.468 USER MOD Single : A 44 SER OG : rot 151:sc= 1.13 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.752 K(o=-0.75,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0313 F(o=-0.62,f=-0.031) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.14 F(o=-2.4,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.73) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 77 HIS : no HE2:sc= -3.02 K(o=-3,f=-6.1) USER MOD Single : A 84 THR OG1 : rot 33:sc= 0.463 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0377) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 90:sc=-0.00179 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.593 -6.932 1.562 1.00 0.00 N ATOM 145 CA THR A 11 12.654 -8.364 1.719 1.00 0.00 C ATOM 146 C THR A 11 11.355 -8.806 2.403 1.00 0.00 C ATOM 147 O THR A 11 10.613 -8.007 2.968 1.00 0.00 O ATOM 148 CB THR A 11 13.970 -8.728 2.442 1.00 0.00 C ATOM 149 OG1 THR A 11 14.419 -7.707 3.314 1.00 0.00 O ATOM 150 CG2 THR A 11 15.111 -8.889 1.436 1.00 0.00 C ATOM 0 HA THR A 11 12.698 -8.912 0.778 1.00 0.00 H new ATOM 0 HB THR A 11 13.743 -9.643 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.108 -6.837 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.029 -9.145 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.865 -9.683 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.253 -7.954 0.894 1.00 0.00 H new ATOM 158 N ALA A 12 11.050 -10.090 2.318 1.00 0.00 N ATOM 159 CA ALA A 12 9.774 -10.661 2.749 1.00 0.00 C ATOM 160 C ALA A 12 9.735 -10.701 4.264 1.00 0.00 C ATOM 161 O ALA A 12 8.759 -10.251 4.855 1.00 0.00 O ATOM 162 CB ALA A 12 9.570 -12.043 2.120 1.00 0.00 C ATOM 0 H ALA A 12 11.694 -10.785 1.939 1.00 0.00 H new ATOM 0 HA ALA A 12 8.947 -10.038 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.617 -12.456 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.570 -11.952 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.378 -12.706 2.428 1.00 0.00 H new ATOM 168 N ALA A 13 10.832 -11.140 4.885 1.00 0.00 N ATOM 169 CA ALA A 13 10.937 -11.121 6.333 1.00 0.00 C ATOM 170 C ALA A 13 10.905 -9.679 6.838 1.00 0.00 C ATOM 171 O ALA A 13 10.364 -9.418 7.911 1.00 0.00 O ATOM 172 CB ALA A 13 12.223 -11.826 6.774 1.00 0.00 C ATOM 0 H ALA A 13 11.652 -11.510 4.405 1.00 0.00 H new ATOM 0 HA ALA A 13 10.090 -11.655 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.294 -11.807 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.208 -12.860 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.084 -11.313 6.345 1.00 0.00 H new ATOM 178 N GLU A 14 11.470 -8.733 6.077 1.00 0.00 N ATOM 179 CA GLU A 14 11.564 -7.358 6.503 1.00 0.00 C ATOM 180 C GLU A 14 10.175 -6.748 6.454 1.00 0.00 C ATOM 181 O GLU A 14 9.786 -6.074 7.398 1.00 0.00 O ATOM 182 CB GLU A 14 12.563 -6.687 5.558 1.00 0.00 C ATOM 183 CG GLU A 14 13.020 -5.282 5.970 1.00 0.00 C ATOM 184 CD GLU A 14 11.985 -4.188 5.694 1.00 0.00 C ATOM 185 OE1 GLU A 14 11.683 -3.927 4.505 1.00 0.00 O ATOM 186 OE2 GLU A 14 11.508 -3.548 6.660 1.00 0.00 O ATOM 0 H GLU A 14 11.869 -8.912 5.155 1.00 0.00 H new ATOM 0 HA GLU A 14 11.919 -7.236 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.442 -7.326 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.115 -6.628 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.257 -5.285 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.941 -5.040 5.439 1.00 0.00 H new ATOM 193 N ILE A 15 9.404 -7.041 5.408 1.00 0.00 N ATOM 194 CA ILE A 15 8.044 -6.573 5.259 1.00 0.00 C ATOM 195 C ILE A 15 7.149 -7.213 6.308 1.00 0.00 C ATOM 196 O ILE A 15 6.457 -6.486 7.011 1.00 0.00 O ATOM 197 CB ILE A 15 7.598 -6.814 3.803 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.273 -5.743 2.925 1.00 0.00 C ATOM 199 CG2 ILE A 15 6.071 -6.740 3.672 1.00 0.00 C ATOM 200 CD1 ILE A 15 8.160 -5.995 1.411 1.00 0.00 C ATOM 0 H ILE A 15 9.721 -7.621 4.631 1.00 0.00 H new ATOM 0 HA ILE A 15 7.970 -5.501 5.439 1.00 0.00 H new ATOM 0 HB ILE A 15 7.895 -7.812 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.831 -4.773 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.328 -5.684 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.786 -6.914 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.614 -7.500 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.727 -5.754 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.662 -5.193 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.629 -6.948 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.109 -6.023 1.124 1.00 0.00 H new ATOM 212 N GLU A 16 7.146 -8.535 6.453 1.00 0.00 N ATOM 213 CA GLU A 16 6.258 -9.161 7.424 1.00 0.00 C ATOM 214 C GLU A 16 6.514 -8.633 8.829 1.00 0.00 C ATOM 215 O GLU A 16 5.563 -8.347 9.557 1.00 0.00 O ATOM 216 CB GLU A 16 6.471 -10.662 7.468 1.00 0.00 C ATOM 217 CG GLU A 16 5.869 -11.407 6.279 1.00 0.00 C ATOM 218 CD GLU A 16 5.961 -12.905 6.541 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.091 -13.430 7.270 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.946 -13.543 6.104 1.00 0.00 O ATOM 0 H GLU A 16 7.734 -9.179 5.924 1.00 0.00 H new ATOM 0 HA GLU A 16 5.242 -8.925 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.541 -10.866 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.037 -11.054 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.829 -11.112 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.402 -11.150 5.364 1.00 0.00 H new ATOM 227 N GLN A 17 7.782 -8.525 9.234 1.00 0.00 N ATOM 228 CA GLN A 17 8.108 -8.058 10.566 1.00 0.00 C ATOM 229 C GLN A 17 7.851 -6.555 10.638 1.00 0.00 C ATOM 230 O GLN A 17 7.413 -6.033 11.660 1.00 0.00 O ATOM 231 CB GLN A 17 9.581 -8.369 10.827 1.00 0.00 C ATOM 232 CG GLN A 17 9.894 -8.497 12.311 1.00 0.00 C ATOM 233 CD GLN A 17 9.618 -9.913 12.816 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.562 -10.211 13.366 1.00 0.00 O ATOM 235 NE2 GLN A 17 10.551 -10.825 12.595 1.00 0.00 N ATOM 0 H GLN A 17 8.590 -8.756 8.655 1.00 0.00 H new ATOM 0 HA GLN A 17 7.495 -8.551 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.849 -9.297 10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.198 -7.581 10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.939 -8.243 12.488 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.293 -7.784 12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.423 -10.562 12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.398 -11.791 12.883 1.00 0.00 H new ATOM 244 N GLY A 18 8.114 -5.863 9.534 1.00 0.00 N ATOM 245 CA GLY A 18 8.058 -4.430 9.380 1.00 0.00 C ATOM 246 C GLY A 18 6.643 -3.944 9.589 1.00 0.00 C ATOM 247 O GLY A 18 6.420 -2.900 10.201 1.00 0.00 O ATOM 0 H GLY A 18 8.390 -6.329 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.725 -3.952 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.405 -4.149 8.386 1.00 0.00 H new ATOM 251 N PHE A 19 5.685 -4.717 9.080 1.00 0.00 N ATOM 252 CA PHE A 19 4.290 -4.308 9.022 1.00 0.00 C ATOM 253 C PHE A 19 3.475 -4.963 10.130 1.00 0.00 C ATOM 254 O PHE A 19 2.269 -4.762 10.218 1.00 0.00 O ATOM 255 CB PHE A 19 3.779 -4.513 7.594 1.00 0.00 C ATOM 256 CG PHE A 19 4.364 -3.459 6.662 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.753 -3.369 6.415 1.00 0.00 C ATOM 258 CD2 PHE A 19 3.526 -2.447 6.176 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.306 -2.227 5.822 1.00 0.00 C ATOM 260 CE2 PHE A 19 4.070 -1.342 5.507 1.00 0.00 C ATOM 261 CZ PHE A 19 5.462 -1.192 5.404 1.00 0.00 C ATOM 0 H PHE A 19 5.859 -5.646 8.696 1.00 0.00 H new ATOM 0 HA PHE A 19 4.177 -3.244 9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.051 -5.509 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.691 -4.456 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.397 -4.192 6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.458 -2.518 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.375 -2.146 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.416 -0.603 5.069 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.880 -0.280 5.003 1.00 0.00 H new ATOM 271 N LYS A 20 4.144 -5.682 11.038 1.00 0.00 N ATOM 272 CA LYS A 20 3.537 -6.377 12.168 1.00 0.00 C ATOM 273 C LYS A 20 2.878 -5.465 13.204 1.00 0.00 C ATOM 274 O LYS A 20 2.295 -5.938 14.181 1.00 0.00 O ATOM 275 CB LYS A 20 4.620 -7.276 12.787 1.00 0.00 C ATOM 276 CG LYS A 20 4.069 -8.470 13.571 1.00 0.00 C ATOM 277 CD LYS A 20 5.225 -9.264 14.192 1.00 0.00 C ATOM 278 CE LYS A 20 5.125 -10.746 13.835 1.00 0.00 C ATOM 279 NZ LYS A 20 6.285 -11.479 14.362 1.00 0.00 N ATOM 0 H LYS A 20 5.157 -5.797 11.001 1.00 0.00 H new ATOM 0 HA LYS A 20 2.700 -6.969 11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.268 -7.645 11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.240 -6.674 13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.394 -8.123 14.353 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.488 -9.113 12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.176 -8.865 13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.212 -9.146 15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.206 -11.164 14.245 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.074 -10.863 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.170 -12.495 14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.151 -11.136 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.355 -11.326 15.388 1.00 0.00 H new ATOM 293 N ASP A 21 2.961 -4.156 13.032 1.00 0.00 N ATOM 294 CA ASP A 21 2.261 -3.173 13.822 1.00 0.00 C ATOM 295 C ASP A 21 0.799 -3.027 13.391 1.00 0.00 C ATOM 296 O ASP A 21 -0.010 -2.487 14.151 1.00 0.00 O ATOM 297 CB ASP A 21 3.005 -1.850 13.696 1.00 0.00 C ATOM 298 CG ASP A 21 2.743 -1.098 12.392 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.498 -1.357 11.431 1.00 0.00 O ATOM 300 OD2 ASP A 21 1.854 -0.213 12.382 1.00 0.00 O ATOM 0 H ASP A 21 3.544 -3.739 12.306 1.00 0.00 H new ATOM 0 HA ASP A 21 2.239 -3.495 14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.726 -1.209 14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.075 -2.039 13.783 1.00 0.00 H new ATOM 305 N VAL A 22 0.415 -3.525 12.217 1.00 0.00 N ATOM 306 CA VAL A 22 -0.960 -3.533 11.726 1.00 0.00 C ATOM 307 C VAL A 22 -1.241 -4.951 11.195 1.00 0.00 C ATOM 308 O VAL A 22 -0.324 -5.781 11.113 1.00 0.00 O ATOM 309 CB VAL A 22 -1.110 -2.344 10.738 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.831 -2.668 9.273 1.00 0.00 C ATOM 311 CG2 VAL A 22 -2.375 -1.483 10.864 1.00 0.00 C ATOM 0 H VAL A 22 1.073 -3.947 11.562 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.731 -3.359 12.476 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.294 -1.719 11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.964 -1.770 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.193 -3.027 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.522 -3.439 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.352 -0.691 10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.256 -2.105 10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.417 -1.041 11.860 1.00 0.00 H new ATOM 321 N PRO A 23 -2.496 -5.301 10.890 1.00 0.00 N ATOM 322 CA PRO A 23 -2.793 -6.557 10.258 1.00 0.00 C ATOM 323 C PRO A 23 -2.550 -6.414 8.758 1.00 0.00 C ATOM 324 O PRO A 23 -2.555 -5.335 8.164 1.00 0.00 O ATOM 325 CB PRO A 23 -4.247 -6.844 10.576 1.00 0.00 C ATOM 326 CG PRO A 23 -4.836 -5.449 10.505 1.00 0.00 C ATOM 327 CD PRO A 23 -3.687 -4.488 10.865 1.00 0.00 C ATOM 0 HA PRO A 23 -2.167 -7.378 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.702 -7.522 9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.373 -7.296 11.560 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.224 -5.239 9.508 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.669 -5.340 11.200 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.600 -3.688 10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.860 -4.015 11.832 1.00 0.00 H new ATOM 335 N SER A 24 -2.435 -7.554 8.127 1.00 0.00 N ATOM 336 CA SER A 24 -2.150 -7.658 6.708 1.00 0.00 C ATOM 337 C SER A 24 -3.414 -8.215 6.053 1.00 0.00 C ATOM 338 O SER A 24 -4.238 -8.834 6.739 1.00 0.00 O ATOM 339 CB SER A 24 -0.974 -8.621 6.509 1.00 0.00 C ATOM 340 OG SER A 24 0.139 -8.258 7.300 1.00 0.00 O ATOM 0 H SER A 24 -2.538 -8.458 8.589 1.00 0.00 H new ATOM 0 HA SER A 24 -1.883 -6.696 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.286 -9.634 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.686 -8.631 5.458 1.00 0.00 H new ATOM 0 HG SER A 24 0.732 -9.031 7.405 1.00 0.00 H new ATOM 346 N PHE A 25 -3.567 -8.090 4.740 1.00 0.00 N ATOM 347 CA PHE A 25 -4.730 -8.606 4.029 1.00 0.00 C ATOM 348 C PHE A 25 -4.269 -9.671 3.061 1.00 0.00 C ATOM 349 O PHE A 25 -3.122 -9.635 2.625 1.00 0.00 O ATOM 350 CB PHE A 25 -5.401 -7.458 3.289 1.00 0.00 C ATOM 351 CG PHE A 25 -6.497 -7.856 2.318 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.701 -8.403 2.795 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.320 -7.660 0.935 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.714 -8.755 1.888 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.334 -8.012 0.031 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.532 -8.566 0.510 1.00 0.00 C ATOM 0 H PHE A 25 -2.887 -7.627 4.137 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.448 -9.044 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.823 -6.773 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.637 -6.907 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.846 -8.552 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.397 -7.236 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.640 -9.174 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.194 -7.857 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.313 -8.846 -0.182 1.00 0.00 H new ATOM 366 N VAL A 26 -5.168 -10.572 2.686 1.00 0.00 N ATOM 367 CA VAL A 26 -4.939 -11.567 1.671 1.00 0.00 C ATOM 368 C VAL A 26 -6.158 -11.589 0.761 1.00 0.00 C ATOM 369 O VAL A 26 -7.277 -11.716 1.272 1.00 0.00 O ATOM 370 CB VAL A 26 -4.594 -12.913 2.331 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.799 -13.702 2.845 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.807 -13.808 1.371 1.00 0.00 C ATOM 0 H VAL A 26 -6.100 -10.624 3.097 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.078 -11.335 1.044 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.994 -12.641 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.458 -14.635 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.328 -13.112 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.471 -13.922 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.576 -14.753 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.404 -13.999 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.880 -13.310 1.087 1.00 0.00 H new ATOM 382 N HIS A 27 -5.977 -11.463 -0.558 1.00 0.00 N ATOM 383 CA HIS A 27 -7.051 -11.834 -1.461 1.00 0.00 C ATOM 384 C HIS A 27 -6.670 -13.116 -2.166 1.00 0.00 C ATOM 385 O HIS A 27 -5.557 -13.295 -2.648 1.00 0.00 O ATOM 386 CB HIS A 27 -7.451 -10.730 -2.430 1.00 0.00 C ATOM 387 CG HIS A 27 -6.375 -9.988 -3.170 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.014 -10.126 -3.106 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.643 -8.973 -4.038 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.429 -9.134 -3.891 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.467 -8.491 -4.441 1.00 0.00 N flip ATOM 0 H HIS A 27 -5.127 -11.119 -1.004 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.951 -11.998 -0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.118 -11.169 -3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.033 -9.997 -1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.620 -8.626 -4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.377 -8.930 -4.025 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.369 -7.716 -5.097 1.00 0.00 H new ATOM 399 N GLU A 28 -7.623 -14.020 -2.245 1.00 0.00 N ATOM 400 CA GLU A 28 -7.531 -15.231 -3.038 1.00 0.00 C ATOM 401 C GLU A 28 -7.834 -14.838 -4.485 1.00 0.00 C ATOM 402 O GLU A 28 -8.850 -15.241 -5.055 1.00 0.00 O ATOM 403 CB GLU A 28 -8.459 -16.305 -2.448 1.00 0.00 C ATOM 404 CG GLU A 28 -8.012 -16.637 -1.016 1.00 0.00 C ATOM 405 CD GLU A 28 -8.700 -17.873 -0.455 1.00 0.00 C ATOM 406 OE1 GLU A 28 -8.305 -19.006 -0.815 1.00 0.00 O ATOM 407 OE2 GLU A 28 -9.617 -17.726 0.386 1.00 0.00 O ATOM 0 H GLU A 28 -8.508 -13.932 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.539 -15.682 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.489 -15.949 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.433 -17.203 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.933 -16.790 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.221 -15.785 -0.369 1.00 0.00 H new ATOM 414 N GLY A 29 -6.994 -13.966 -5.042 1.00 0.00 N ATOM 415 CA GLY A 29 -7.125 -13.430 -6.390 1.00 0.00 C ATOM 416 C GLY A 29 -5.773 -12.997 -6.950 1.00 0.00 C ATOM 417 O GLY A 29 -4.777 -12.956 -6.221 1.00 0.00 O ATOM 0 H GLY A 29 -6.178 -13.604 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.566 -14.184 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.806 -12.579 -6.380 1.00 0.00 H new ATOM 421 N GLY A 30 -5.756 -12.667 -8.240 1.00 0.00 N ATOM 422 CA GLY A 30 -4.646 -12.041 -8.931 1.00 0.00 C ATOM 423 C GLY A 30 -4.887 -10.536 -9.043 1.00 0.00 C ATOM 424 O GLY A 30 -5.489 -9.931 -8.150 1.00 0.00 O ATOM 0 H GLY A 30 -6.553 -12.839 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.717 -12.231 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.533 -12.475 -9.924 1.00 0.00 H new ATOM 428 N ASP A 31 -4.339 -9.937 -10.103 1.00 0.00 N ATOM 429 CA ASP A 31 -4.149 -8.493 -10.244 1.00 0.00 C ATOM 430 C ASP A 31 -5.430 -7.693 -10.074 1.00 0.00 C ATOM 431 O ASP A 31 -6.487 -8.088 -10.566 1.00 0.00 O ATOM 432 CB ASP A 31 -3.307 -8.107 -11.459 1.00 0.00 C ATOM 433 CG ASP A 31 -4.133 -7.799 -12.707 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.770 -6.726 -12.783 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.086 -8.615 -13.655 1.00 0.00 O ATOM 0 H ASP A 31 -4.005 -10.461 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.538 -8.192 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.704 -7.234 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.615 -8.919 -11.683 1.00 0.00 H new ATOM 440 N VAL A 32 -5.335 -6.597 -9.315 1.00 0.00 N ATOM 441 CA VAL A 32 -6.489 -5.899 -8.761 1.00 0.00 C ATOM 442 C VAL A 32 -6.055 -4.480 -8.441 1.00 0.00 C ATOM 443 O VAL A 32 -4.927 -4.291 -7.989 1.00 0.00 O ATOM 444 CB VAL A 32 -7.015 -6.661 -7.525 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.473 -5.826 -6.315 1.00 0.00 C ATOM 446 CG2 VAL A 32 -8.171 -7.587 -7.919 1.00 0.00 C ATOM 0 H VAL A 32 -4.443 -6.168 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.316 -5.857 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.129 -7.199 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.817 -6.491 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.639 -5.227 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.288 -5.168 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.530 -8.117 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.983 -6.996 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.823 -8.308 -8.659 1.00 0.00 H new ATOM 456 N PRO A 33 -6.923 -3.483 -8.648 1.00 0.00 N ATOM 457 CA PRO A 33 -6.538 -2.097 -8.542 1.00 0.00 C ATOM 458 C PRO A 33 -6.238 -1.698 -7.104 1.00 0.00 C ATOM 459 O PRO A 33 -6.894 -2.128 -6.156 1.00 0.00 O ATOM 460 CB PRO A 33 -7.671 -1.294 -9.183 1.00 0.00 C ATOM 461 CG PRO A 33 -8.883 -2.222 -9.126 1.00 0.00 C ATOM 462 CD PRO A 33 -8.293 -3.631 -9.097 1.00 0.00 C ATOM 0 HA PRO A 33 -5.602 -1.896 -9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.856 -0.367 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.430 -1.019 -10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.489 -2.028 -8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.530 -2.082 -9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.857 -4.276 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.332 -4.090 -10.085 1.00 0.00 H new ATOM 470 N LEU A 34 -5.298 -0.764 -6.973 1.00 0.00 N ATOM 471 CA LEU A 34 -4.960 -0.062 -5.743 1.00 0.00 C ATOM 472 C LEU A 34 -6.201 0.306 -4.880 1.00 0.00 C ATOM 473 O LEU A 34 -6.262 0.052 -3.671 1.00 0.00 O ATOM 474 CB LEU A 34 -3.949 1.075 -6.021 1.00 0.00 C ATOM 475 CG LEU A 34 -4.005 1.959 -7.291 1.00 0.00 C ATOM 476 CD1 LEU A 34 -5.389 2.190 -7.915 1.00 0.00 C ATOM 477 CD2 LEU A 34 -3.265 3.286 -7.117 1.00 0.00 C ATOM 0 H LEU A 34 -4.725 -0.464 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.431 -0.750 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.003 1.753 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.959 0.620 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.479 1.342 -8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.290 2.824 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.822 1.232 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.039 2.678 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.336 3.866 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.714 3.848 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.217 3.091 -6.891 1.00 0.00 H new ATOM 489 N VAL A 35 -7.242 0.843 -5.512 1.00 0.00 N ATOM 490 CA VAL A 35 -8.465 1.338 -4.872 1.00 0.00 C ATOM 491 C VAL A 35 -9.443 0.220 -4.491 1.00 0.00 C ATOM 492 O VAL A 35 -10.357 0.460 -3.704 1.00 0.00 O ATOM 493 CB VAL A 35 -9.064 2.439 -5.772 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.414 1.933 -7.178 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.273 3.153 -5.168 1.00 0.00 C ATOM 0 H VAL A 35 -7.260 0.951 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.224 1.781 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.261 3.172 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.831 2.751 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.513 1.559 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.147 1.129 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.633 3.911 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.066 2.429 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.984 3.629 -4.231 1.00 0.00 H new ATOM 505 N GLU A 36 -9.233 -1.006 -4.966 1.00 0.00 N ATOM 506 CA GLU A 36 -9.901 -2.184 -4.438 1.00 0.00 C ATOM 507 C GLU A 36 -9.050 -2.790 -3.328 1.00 0.00 C ATOM 508 O GLU A 36 -9.588 -3.139 -2.281 1.00 0.00 O ATOM 509 CB GLU A 36 -10.106 -3.219 -5.552 1.00 0.00 C ATOM 510 CG GLU A 36 -11.353 -2.949 -6.399 1.00 0.00 C ATOM 511 CD GLU A 36 -12.612 -3.501 -5.726 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.158 -2.856 -4.805 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.081 -4.588 -6.130 1.00 0.00 O ATOM 0 H GLU A 36 -8.590 -1.207 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.874 -1.896 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.229 -3.226 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.183 -4.212 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.463 -1.876 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.234 -3.405 -7.382 1.00 0.00 H new ATOM 520 N LEU A 37 -7.726 -2.909 -3.497 1.00 0.00 N ATOM 521 CA LEU A 37 -6.918 -3.699 -2.589 1.00 0.00 C ATOM 522 C LEU A 37 -6.867 -2.971 -1.271 1.00 0.00 C ATOM 523 O LEU A 37 -6.820 -3.646 -0.257 1.00 0.00 O ATOM 524 CB LEU A 37 -5.520 -4.048 -3.139 1.00 0.00 C ATOM 525 CG LEU A 37 -4.546 -2.870 -3.316 1.00 0.00 C ATOM 526 CD1 LEU A 37 -3.713 -2.523 -2.073 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.556 -3.149 -4.442 1.00 0.00 C ATOM 0 H LEU A 37 -7.204 -2.467 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.384 -4.675 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.060 -4.775 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.644 -4.538 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.199 -2.025 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.058 -1.681 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.378 -2.256 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.111 -3.385 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.878 -2.302 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.983 -4.046 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.099 -3.298 -5.375 1.00 0.00 H new ATOM 539 N LEU A 38 -6.942 -1.632 -1.238 1.00 0.00 N ATOM 540 CA LEU A 38 -6.911 -0.926 0.015 1.00 0.00 C ATOM 541 C LEU A 38 -8.246 -1.072 0.744 1.00 0.00 C ATOM 542 O LEU A 38 -8.282 -1.137 1.968 1.00 0.00 O ATOM 543 CB LEU A 38 -6.474 0.542 -0.165 1.00 0.00 C ATOM 544 CG LEU A 38 -7.581 1.611 -0.041 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.959 2.987 0.199 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.533 1.591 -1.239 1.00 0.00 C ATOM 0 H LEU A 38 -7.023 -1.038 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.150 -1.380 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.704 0.762 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.012 0.642 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.197 1.372 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.749 3.733 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.377 2.967 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.308 3.243 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.296 2.359 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.972 1.786 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.010 0.613 -1.308 1.00 0.00 H new ATOM 558 N VAL A 39 -9.347 -1.081 -0.003 1.00 0.00 N ATOM 559 CA VAL A 39 -10.714 -1.056 0.512 1.00 0.00 C ATOM 560 C VAL A 39 -10.998 -2.412 1.119 1.00 0.00 C ATOM 561 O VAL A 39 -11.533 -2.532 2.223 1.00 0.00 O ATOM 562 CB VAL A 39 -11.660 -0.691 -0.660 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.533 -1.793 -1.291 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.622 0.431 -0.265 1.00 0.00 C ATOM 0 H VAL A 39 -9.311 -1.107 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.865 -0.309 1.291 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.926 -0.419 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.133 -1.366 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.893 -2.578 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.192 -2.215 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.273 0.665 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.227 0.110 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.052 1.318 0.011 1.00 0.00 H new ATOM 574 N SER A 40 -10.565 -3.421 0.383 1.00 0.00 N ATOM 575 CA SER A 40 -10.601 -4.809 0.737 1.00 0.00 C ATOM 576 C SER A 40 -9.621 -5.035 1.885 1.00 0.00 C ATOM 577 O SER A 40 -9.993 -5.713 2.849 1.00 0.00 O ATOM 578 CB SER A 40 -10.307 -5.682 -0.492 1.00 0.00 C ATOM 579 OG SER A 40 -11.101 -6.849 -0.450 1.00 0.00 O ATOM 0 H SER A 40 -10.153 -3.270 -0.538 1.00 0.00 H new ATOM 0 HA SER A 40 -11.594 -5.101 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.514 -5.123 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.251 -5.950 -0.515 1.00 0.00 H new ATOM 0 HG SER A 40 -10.558 -7.603 -0.137 1.00 0.00 H new ATOM 585 N ALA A 41 -8.437 -4.396 1.860 1.00 0.00 N ATOM 586 CA ALA A 41 -7.463 -4.651 2.915 1.00 0.00 C ATOM 587 C ALA A 41 -7.783 -3.906 4.208 1.00 0.00 C ATOM 588 O ALA A 41 -7.353 -4.354 5.274 1.00 0.00 O ATOM 589 CB ALA A 41 -6.037 -4.358 2.439 1.00 0.00 C ATOM 0 H ALA A 41 -8.147 -3.727 1.147 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.530 -5.714 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.335 -4.558 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.800 -4.995 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.960 -3.312 2.142 1.00 0.00 H new ATOM 595 N GLY A 42 -8.584 -2.839 4.161 1.00 0.00 N ATOM 596 CA GLY A 42 -9.078 -2.189 5.368 1.00 0.00 C ATOM 597 C GLY A 42 -8.436 -0.844 5.647 1.00 0.00 C ATOM 598 O GLY A 42 -8.518 -0.334 6.769 1.00 0.00 O ATOM 0 H GLY A 42 -8.903 -2.408 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.156 -2.055 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.906 -2.847 6.220 1.00 0.00 H new ATOM 602 N ILE A 43 -7.801 -0.263 4.638 1.00 0.00 N ATOM 603 CA ILE A 43 -6.980 0.922 4.751 1.00 0.00 C ATOM 604 C ILE A 43 -7.979 2.090 4.813 1.00 0.00 C ATOM 605 O ILE A 43 -7.829 2.944 5.686 1.00 0.00 O ATOM 606 CB ILE A 43 -6.042 0.982 3.510 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.885 -0.057 3.387 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.364 2.360 3.375 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.161 -1.444 3.955 1.00 0.00 C ATOM 0 H ILE A 43 -7.849 -0.622 3.685 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.334 0.945 5.629 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.762 0.747 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.631 -0.163 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.006 0.349 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.717 2.363 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.126 3.132 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.768 2.561 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.285 -2.077 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.380 -1.364 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.015 -1.884 3.441 1.00 0.00 H new ATOM 621 N SER A 44 -9.019 2.088 3.969 1.00 0.00 N ATOM 622 CA SER A 44 -10.032 3.140 3.869 1.00 0.00 C ATOM 623 C SER A 44 -11.229 2.512 3.176 1.00 0.00 C ATOM 624 O SER A 44 -11.105 2.176 2.002 1.00 0.00 O ATOM 625 CB SER A 44 -9.496 4.347 3.094 1.00 0.00 C ATOM 626 OG SER A 44 -8.880 5.233 4.007 1.00 0.00 O ATOM 0 H SER A 44 -9.182 1.324 3.314 1.00 0.00 H new ATOM 0 HA SER A 44 -10.311 3.518 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.779 4.024 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.308 4.850 2.568 1.00 0.00 H new ATOM 0 HG SER A 44 -8.166 5.727 3.552 1.00 0.00 H new ATOM 632 N PRO A 45 -12.356 2.304 3.878 1.00 0.00 N ATOM 633 CA PRO A 45 -13.488 1.564 3.338 1.00 0.00 C ATOM 634 C PRO A 45 -14.364 2.417 2.437 1.00 0.00 C ATOM 635 O PRO A 45 -15.146 1.882 1.652 1.00 0.00 O ATOM 636 CB PRO A 45 -14.275 1.102 4.568 1.00 0.00 C ATOM 637 CG PRO A 45 -14.009 2.205 5.587 1.00 0.00 C ATOM 638 CD PRO A 45 -12.580 2.625 5.279 1.00 0.00 C ATOM 0 HA PRO A 45 -13.151 0.737 2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.339 1.002 4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.930 0.132 4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.706 3.035 5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.110 1.842 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.439 3.690 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.873 2.096 5.918 1.00 0.00 H new ATOM 646 N SER A 46 -14.286 3.738 2.579 1.00 0.00 N ATOM 647 CA SER A 46 -15.265 4.611 1.959 1.00 0.00 C ATOM 648 C SER A 46 -14.774 4.894 0.552 1.00 0.00 C ATOM 649 O SER A 46 -13.716 5.493 0.423 1.00 0.00 O ATOM 650 CB SER A 46 -15.460 5.870 2.802 1.00 0.00 C ATOM 651 OG SER A 46 -16.773 6.369 2.638 1.00 0.00 O ATOM 0 H SER A 46 -13.562 4.218 3.113 1.00 0.00 H new ATOM 0 HA SER A 46 -16.250 4.148 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.277 5.645 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.735 6.629 2.508 1.00 0.00 H new ATOM 0 HG SER A 46 -16.887 7.175 3.184 1.00 0.00 H new ATOM 657 N LYS A 47 -15.492 4.473 -0.491 1.00 0.00 N ATOM 658 CA LYS A 47 -15.059 4.538 -1.891 1.00 0.00 C ATOM 659 C LYS A 47 -14.501 5.903 -2.289 1.00 0.00 C ATOM 660 O LYS A 47 -13.554 5.950 -3.074 1.00 0.00 O ATOM 661 CB LYS A 47 -16.218 4.147 -2.819 1.00 0.00 C ATOM 662 CG LYS A 47 -16.483 2.638 -2.822 1.00 0.00 C ATOM 663 CD LYS A 47 -17.846 2.342 -3.455 1.00 0.00 C ATOM 664 CE LYS A 47 -17.959 0.841 -3.707 1.00 0.00 C ATOM 665 NZ LYS A 47 -19.304 0.435 -4.154 1.00 0.00 N ATOM 0 H LYS A 47 -16.420 4.064 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.240 3.827 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.122 4.671 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.993 4.475 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.697 2.124 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.457 2.255 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.648 2.675 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.954 2.890 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.227 0.548 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.708 0.304 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.322 -0.593 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.003 0.688 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.537 0.924 -5.042 1.00 0.00 H new ATOM 679 N ARG A 48 -15.048 7.016 -1.787 1.00 0.00 N ATOM 680 CA ARG A 48 -14.458 8.333 -2.048 1.00 0.00 C ATOM 681 C ARG A 48 -13.095 8.469 -1.375 1.00 0.00 C ATOM 682 O ARG A 48 -12.126 8.841 -2.038 1.00 0.00 O ATOM 683 CB ARG A 48 -15.376 9.464 -1.582 1.00 0.00 C ATOM 684 CG ARG A 48 -15.006 10.779 -2.297 1.00 0.00 C ATOM 685 CD ARG A 48 -15.172 12.018 -1.410 1.00 0.00 C ATOM 686 NE ARG A 48 -16.431 12.005 -0.645 1.00 0.00 N ATOM 687 CZ ARG A 48 -17.658 12.154 -1.154 1.00 0.00 C ATOM 688 NH1 ARG A 48 -17.835 12.544 -2.413 1.00 0.00 N ATOM 689 NH2 ARG A 48 -18.718 11.890 -0.402 1.00 0.00 N ATOM 0 H ARG A 48 -15.886 7.032 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.330 8.414 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.415 9.208 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.289 9.591 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.972 10.721 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.629 10.890 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.332 12.080 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.139 12.912 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.360 11.870 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.027 12.734 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.778 12.653 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.595 11.575 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.656 12.002 -0.786 1.00 0.00 H new ATOM 703 N GLN A 49 -13.029 8.191 -0.066 1.00 0.00 N ATOM 704 CA GLN A 49 -11.787 8.281 0.684 1.00 0.00 C ATOM 705 C GLN A 49 -10.778 7.401 0.013 1.00 0.00 C ATOM 706 O GLN A 49 -9.720 7.881 -0.327 1.00 0.00 O ATOM 707 CB GLN A 49 -11.932 7.803 2.138 1.00 0.00 C ATOM 708 CG GLN A 49 -10.709 8.169 3.003 1.00 0.00 C ATOM 709 CD GLN A 49 -10.382 9.661 2.960 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.235 10.492 3.254 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.168 10.039 2.596 1.00 0.00 N ATOM 0 H GLN A 49 -13.832 7.901 0.491 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.487 9.329 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.828 8.245 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.071 6.722 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.897 7.872 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.844 7.601 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.467 9.339 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.933 11.031 2.558 1.00 0.00 H new ATOM 720 N ALA A 50 -11.135 6.140 -0.182 1.00 0.00 N ATOM 721 CA ALA A 50 -10.353 5.122 -0.830 1.00 0.00 C ATOM 722 C ALA A 50 -9.769 5.639 -2.143 1.00 0.00 C ATOM 723 O ALA A 50 -8.554 5.607 -2.334 1.00 0.00 O ATOM 724 CB ALA A 50 -11.255 3.914 -1.075 1.00 0.00 C ATOM 0 H ALA A 50 -12.039 5.788 0.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.514 4.837 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.683 3.127 -1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.636 3.545 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.090 4.207 -1.711 1.00 0.00 H new ATOM 730 N ARG A 51 -10.633 6.149 -3.029 1.00 0.00 N ATOM 731 CA ARG A 51 -10.232 6.746 -4.294 1.00 0.00 C ATOM 732 C ARG A 51 -9.142 7.767 -4.082 1.00 0.00 C ATOM 733 O ARG A 51 -8.151 7.721 -4.799 1.00 0.00 O ATOM 734 CB ARG A 51 -11.455 7.316 -5.042 1.00 0.00 C ATOM 735 CG ARG A 51 -11.159 8.399 -6.100 1.00 0.00 C ATOM 736 CD ARG A 51 -12.451 8.967 -6.704 1.00 0.00 C ATOM 737 NE ARG A 51 -13.117 8.003 -7.596 1.00 0.00 N ATOM 738 CZ ARG A 51 -12.993 7.935 -8.930 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.314 8.838 -9.629 1.00 0.00 N ATOM 740 NH2 ARG A 51 -13.564 6.936 -9.579 1.00 0.00 N ATOM 0 H ARG A 51 -11.642 6.155 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.811 5.971 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.973 6.491 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.143 7.733 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.584 9.206 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.542 7.975 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.133 9.248 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.221 9.876 -7.260 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.733 7.320 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.863 9.619 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.243 8.750 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.091 6.229 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.478 6.871 -10.593 1.00 0.00 H new ATOM 754 N GLU A 52 -9.310 8.686 -3.144 1.00 0.00 N ATOM 755 CA GLU A 52 -8.350 9.769 -2.988 1.00 0.00 C ATOM 756 C GLU A 52 -7.122 9.347 -2.205 1.00 0.00 C ATOM 757 O GLU A 52 -6.016 9.785 -2.510 1.00 0.00 O ATOM 758 CB GLU A 52 -9.052 10.950 -2.341 1.00 0.00 C ATOM 759 CG GLU A 52 -8.170 12.196 -2.380 1.00 0.00 C ATOM 760 CD GLU A 52 -9.005 13.378 -1.915 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.330 13.465 -0.708 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.423 14.183 -2.780 1.00 0.00 O ATOM 0 H GLU A 52 -10.090 8.705 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.982 10.057 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.991 11.148 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.302 10.708 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.300 12.067 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.797 12.367 -3.390 1.00 0.00 H new ATOM 769 N ASP A 53 -7.288 8.430 -1.266 1.00 0.00 N ATOM 770 CA ASP A 53 -6.235 7.758 -0.563 1.00 0.00 C ATOM 771 C ASP A 53 -5.387 6.993 -1.550 1.00 0.00 C ATOM 772 O ASP A 53 -4.235 6.731 -1.242 1.00 0.00 O ATOM 773 CB ASP A 53 -6.837 6.785 0.464 1.00 0.00 C ATOM 774 CG ASP A 53 -6.937 7.351 1.873 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.825 8.583 2.057 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.061 6.546 2.816 1.00 0.00 O ATOM 0 H ASP A 53 -8.214 8.126 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.618 8.491 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.832 6.492 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.230 5.880 0.490 1.00 0.00 H new ATOM 781 N ILE A 54 -5.918 6.667 -2.727 1.00 0.00 N ATOM 782 CA ILE A 54 -5.158 6.132 -3.813 1.00 0.00 C ATOM 783 C ILE A 54 -4.640 7.190 -4.733 1.00 0.00 C ATOM 784 O ILE A 54 -3.520 7.021 -5.169 1.00 0.00 O ATOM 785 CB ILE A 54 -5.996 5.083 -4.582 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.424 3.719 -4.218 1.00 0.00 C ATOM 787 CG2 ILE A 54 -6.079 5.261 -6.116 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.749 3.330 -2.791 1.00 0.00 C ATOM 0 H ILE A 54 -6.910 6.776 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.281 5.644 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.034 5.206 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.821 2.966 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.342 3.732 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.692 4.467 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.526 6.228 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.077 5.214 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.322 2.351 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.329 4.068 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.831 3.291 -2.662 1.00 0.00 H new ATOM 800 N GLN A 55 -5.424 8.197 -5.103 1.00 0.00 N ATOM 801 CA GLN A 55 -5.017 9.165 -6.099 1.00 0.00 C ATOM 802 C GLN A 55 -3.982 10.126 -5.541 1.00 0.00 C ATOM 803 O GLN A 55 -3.402 10.892 -6.320 1.00 0.00 O ATOM 804 CB GLN A 55 -6.241 9.933 -6.589 1.00 0.00 C ATOM 805 CG GLN A 55 -7.066 9.086 -7.559 1.00 0.00 C ATOM 806 CD GLN A 55 -8.269 9.870 -8.078 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.878 10.672 -7.373 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.595 9.715 -9.349 1.00 0.00 N ATOM 0 H GLN A 55 -6.355 8.360 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.560 8.634 -6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.858 10.223 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.925 10.853 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.442 8.773 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.406 8.179 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.086 9.048 -9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.356 10.263 -9.751 1.00 0.00 H new ATOM 817 N ASN A 56 -3.761 10.108 -4.224 1.00 0.00 N ATOM 818 CA ASN A 56 -2.828 11.004 -3.588 1.00 0.00 C ATOM 819 C ASN A 56 -1.405 10.517 -3.607 1.00 0.00 C ATOM 820 O ASN A 56 -1.101 9.374 -3.284 1.00 0.00 O ATOM 821 CB ASN A 56 -3.204 11.289 -2.118 1.00 0.00 C ATOM 822 CG ASN A 56 -4.355 12.260 -1.876 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.909 12.896 -2.895 1.00 0.00 O flip ATOM 824 ND2 ASN A 56 -4.724 12.488 -0.727 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.229 9.469 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.894 11.914 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.454 10.341 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.321 11.677 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.293 11.994 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.462 13.171 -0.554 1.00 0.00 H new ATOM 831 N GLY A 57 -0.492 11.469 -3.749 1.00 0.00 N ATOM 832 CA GLY A 57 0.931 11.293 -3.518 1.00 0.00 C ATOM 833 C GLY A 57 1.290 11.117 -2.049 1.00 0.00 C ATOM 834 O GLY A 57 2.399 11.428 -1.624 1.00 0.00 O ATOM 0 H GLY A 57 -0.733 12.417 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.277 10.422 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.465 12.157 -3.913 1.00 0.00 H new ATOM 838 N ALA A 58 0.337 10.633 -1.273 1.00 0.00 N ATOM 839 CA ALA A 58 0.378 10.368 0.134 1.00 0.00 C ATOM 840 C ALA A 58 0.163 8.872 0.378 1.00 0.00 C ATOM 841 O ALA A 58 0.071 8.471 1.538 1.00 0.00 O ATOM 842 CB ALA A 58 -0.656 11.290 0.775 1.00 0.00 C ATOM 0 H ALA A 58 -0.574 10.395 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 58 1.343 10.582 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.668 11.130 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.398 12.328 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.642 11.072 0.365 1.00 0.00 H new ATOM 848 N ILE A 59 0.064 8.037 -0.665 1.00 0.00 N ATOM 849 CA ILE A 59 0.202 6.590 -0.569 1.00 0.00 C ATOM 850 C ILE A 59 1.501 6.200 -1.286 1.00 0.00 C ATOM 851 O ILE A 59 1.640 6.148 -2.513 1.00 0.00 O ATOM 852 CB ILE A 59 -1.142 5.993 -0.945 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.268 4.491 -0.776 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.618 6.475 -2.331 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.381 3.768 -1.738 1.00 0.00 C ATOM 0 H ILE A 59 -0.118 8.362 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 59 0.370 6.154 0.416 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.828 6.388 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.006 4.213 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.304 4.189 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.583 6.024 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.717 7.560 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.891 6.181 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.490 2.693 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.661 4.030 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.656 4.054 -1.562 1.00 0.00 H new ATOM 867 N TYR A 60 2.518 6.031 -0.448 1.00 0.00 N ATOM 868 CA TYR A 60 3.810 5.505 -0.804 1.00 0.00 C ATOM 869 C TYR A 60 3.699 3.980 -0.842 1.00 0.00 C ATOM 870 O TYR A 60 3.698 3.330 0.205 1.00 0.00 O ATOM 871 CB TYR A 60 4.871 6.024 0.181 1.00 0.00 C ATOM 872 CG TYR A 60 4.662 7.430 0.714 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.609 8.512 -0.181 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.555 7.667 2.098 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.502 9.826 0.297 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.461 8.978 2.588 1.00 0.00 C ATOM 877 CZ TYR A 60 4.460 10.063 1.687 1.00 0.00 C ATOM 878 OH TYR A 60 4.464 11.337 2.161 1.00 0.00 O ATOM 0 H TYR A 60 2.450 6.271 0.541 1.00 0.00 H new ATOM 0 HA TYR A 60 4.130 5.841 -1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.915 5.340 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.843 5.985 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.651 8.330 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.545 6.835 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.452 10.653 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.390 9.156 3.651 1.00 0.00 H new ATOM 0 HH TYR A 60 4.431 11.322 3.140 1.00 0.00 H new ATOM 888 N VAL A 61 3.570 3.386 -2.024 1.00 0.00 N ATOM 889 CA VAL A 61 3.566 1.930 -2.145 1.00 0.00 C ATOM 890 C VAL A 61 5.014 1.488 -2.063 1.00 0.00 C ATOM 891 O VAL A 61 5.868 2.013 -2.771 1.00 0.00 O ATOM 892 CB VAL A 61 2.915 1.427 -3.444 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.950 -0.107 -3.468 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.455 1.861 -3.490 1.00 0.00 C ATOM 0 H VAL A 61 3.467 3.885 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 61 2.962 1.503 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 61 3.459 1.839 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.489 -0.467 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.984 -0.448 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.401 -0.497 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.998 1.502 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.924 1.443 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.398 2.949 -3.456 1.00 0.00 H new ATOM 904 N ASN A 62 5.302 0.535 -1.179 1.00 0.00 N ATOM 905 CA ASN A 62 6.652 0.068 -0.860 1.00 0.00 C ATOM 906 C ASN A 62 7.559 1.156 -0.279 1.00 0.00 C ATOM 907 O ASN A 62 8.691 0.876 0.102 1.00 0.00 O ATOM 908 CB ASN A 62 7.238 -0.719 -2.037 1.00 0.00 C ATOM 909 CG ASN A 62 6.918 -2.188 -1.846 1.00 0.00 C ATOM 910 OD1 ASN A 62 5.660 -2.584 -1.979 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 7.781 -2.993 -1.564 1.00 0.00 N flip ATOM 0 H ASN A 62 4.579 0.050 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 62 6.580 -0.637 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.820 -0.360 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.317 -0.571 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.749 -2.688 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.538 -3.975 -1.429 1.00 0.00 H new ATOM 918 N GLY A 63 7.036 2.372 -0.111 1.00 0.00 N ATOM 919 CA GLY A 63 7.787 3.542 0.279 1.00 0.00 C ATOM 920 C GLY A 63 7.929 4.553 -0.849 1.00 0.00 C ATOM 921 O GLY A 63 8.647 5.531 -0.652 1.00 0.00 O ATOM 0 H GLY A 63 6.044 2.564 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.295 4.018 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.778 3.237 0.615 1.00 0.00 H new ATOM 925 N GLU A 64 7.254 4.378 -1.990 1.00 0.00 N ATOM 926 CA GLU A 64 7.375 5.254 -3.141 1.00 0.00 C ATOM 927 C GLU A 64 5.980 5.702 -3.558 1.00 0.00 C ATOM 928 O GLU A 64 5.093 4.880 -3.770 1.00 0.00 O ATOM 929 CB GLU A 64 8.090 4.526 -4.281 1.00 0.00 C ATOM 930 CG GLU A 64 8.930 5.499 -5.121 1.00 0.00 C ATOM 931 CD GLU A 64 10.413 5.171 -4.971 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.991 5.402 -3.884 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.972 4.576 -5.923 1.00 0.00 O ATOM 0 H GLU A 64 6.600 3.609 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 64 7.970 6.132 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.733 3.747 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.356 4.032 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.639 5.433 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.742 6.524 -4.802 1.00 0.00 H new ATOM 940 N ARG A 65 5.759 7.010 -3.601 1.00 0.00 N ATOM 941 CA ARG A 65 4.515 7.676 -3.963 1.00 0.00 C ATOM 942 C ARG A 65 3.977 7.132 -5.282 1.00 0.00 C ATOM 943 O ARG A 65 4.474 7.536 -6.334 1.00 0.00 O ATOM 944 CB ARG A 65 4.857 9.182 -4.025 1.00 0.00 C ATOM 945 CG ARG A 65 3.801 10.094 -4.652 1.00 0.00 C ATOM 946 CD ARG A 65 4.292 10.709 -5.972 1.00 0.00 C ATOM 947 NE ARG A 65 3.455 11.830 -6.428 1.00 0.00 N ATOM 948 CZ ARG A 65 3.511 12.383 -7.646 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.315 11.894 -8.586 1.00 0.00 N ATOM 950 NH2 ARG A 65 2.765 13.447 -7.899 1.00 0.00 N ATOM 0 H ARG A 65 6.494 7.678 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 65 3.719 7.499 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.050 9.530 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.785 9.299 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.889 9.524 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.546 10.890 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.318 11.056 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.309 9.938 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 65 2.781 12.215 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.902 11.085 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.344 12.328 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.161 13.831 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.794 13.883 -8.821 1.00 0.00 H new ATOM 964 N LEU A 66 2.963 6.261 -5.254 1.00 0.00 N ATOM 965 CA LEU A 66 2.445 5.605 -6.445 1.00 0.00 C ATOM 966 C LEU A 66 0.927 5.532 -6.275 1.00 0.00 C ATOM 967 O LEU A 66 0.418 4.855 -5.386 1.00 0.00 O ATOM 968 CB LEU A 66 3.111 4.250 -6.653 1.00 0.00 C ATOM 969 CG LEU A 66 4.589 4.340 -7.071 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.188 2.953 -6.952 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.786 4.835 -8.507 1.00 0.00 C ATOM 0 H LEU A 66 2.480 5.994 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 66 2.674 6.162 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.039 3.675 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.561 3.699 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 66 5.075 5.064 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.238 2.984 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.107 2.609 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.651 2.267 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.851 4.874 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.292 4.152 -9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.356 5.831 -8.611 1.00 0.00 H new ATOM 983 N GLN A 67 0.224 6.316 -7.081 1.00 0.00 N ATOM 984 CA GLN A 67 -1.167 6.716 -6.967 1.00 0.00 C ATOM 985 C GLN A 67 -1.923 6.703 -8.305 1.00 0.00 C ATOM 986 O GLN A 67 -2.685 7.625 -8.606 1.00 0.00 O ATOM 987 CB GLN A 67 -1.237 8.102 -6.257 1.00 0.00 C ATOM 988 CG GLN A 67 -0.190 9.201 -6.467 1.00 0.00 C ATOM 989 CD GLN A 67 0.530 9.205 -7.814 1.00 0.00 C ATOM 990 OE1 GLN A 67 -0.033 9.629 -8.814 1.00 0.00 O ATOM 991 NE2 GLN A 67 1.770 8.739 -7.880 1.00 0.00 N ATOM 0 H GLN A 67 0.657 6.725 -7.909 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.684 5.973 -6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.200 8.537 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.263 7.900 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.678 10.167 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.559 9.114 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.228 8.388 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.265 8.731 -8.772 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.755 5.657 -9.117 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.611 5.424 -10.277 1.00 0.00 C ATOM 1002 C ASP A 68 -2.879 3.936 -10.494 1.00 0.00 C ATOM 1003 O ASP A 68 -2.074 3.088 -10.101 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.924 6.015 -11.502 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.863 6.199 -12.695 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -4.095 6.357 -12.501 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.352 6.247 -13.837 1.00 0.00 O ATOM 0 H ASP A 68 -1.027 4.954 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.576 5.902 -10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.492 6.980 -11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.099 5.366 -11.795 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.994 3.598 -11.137 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.236 2.251 -11.630 1.00 0.00 C ATOM 1014 C VAL A 69 -3.195 1.959 -12.690 1.00 0.00 C ATOM 1015 O VAL A 69 -2.857 2.782 -13.543 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.683 2.097 -12.122 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -6.106 3.143 -13.169 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.002 0.691 -12.637 1.00 0.00 C ATOM 0 H VAL A 69 -4.753 4.252 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.133 1.513 -10.835 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.275 2.276 -11.224 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.140 2.965 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.018 4.142 -12.742 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.460 3.064 -14.044 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.040 0.652 -12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.345 0.452 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.849 -0.033 -11.837 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.641 0.769 -12.571 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.525 0.328 -13.382 1.00 0.00 C ATOM 1030 C GLY A 70 -0.184 0.894 -12.948 1.00 0.00 C ATOM 1031 O GLY A 70 0.843 0.486 -13.486 1.00 0.00 O ATOM 0 H GLY A 70 -2.959 0.071 -11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.475 -0.760 -13.352 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.709 0.610 -14.419 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.166 1.817 -11.986 1.00 0.00 N ATOM 1036 CA ALA A 71 1.062 2.139 -11.275 1.00 0.00 C ATOM 1037 C ALA A 71 1.296 0.978 -10.311 1.00 0.00 C ATOM 1038 O ALA A 71 2.381 0.401 -10.296 1.00 0.00 O ATOM 1039 CB ALA A 71 0.999 3.482 -10.548 1.00 0.00 C ATOM 0 H ALA A 71 -0.983 2.349 -11.686 1.00 0.00 H new ATOM 0 HA ALA A 71 1.890 2.255 -11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.945 3.664 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.817 4.278 -11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.190 3.463 -9.818 1.00 0.00 H new ATOM 1045 N ILE A 72 0.255 0.550 -9.580 1.00 0.00 N ATOM 1046 CA ILE A 72 0.218 -0.707 -8.852 1.00 0.00 C ATOM 1047 C ILE A 72 -1.121 -1.383 -9.134 1.00 0.00 C ATOM 1048 O ILE A 72 -2.135 -0.692 -9.266 1.00 0.00 O ATOM 1049 CB ILE A 72 0.389 -0.478 -7.345 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.350 0.686 -7.046 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.906 -1.763 -6.670 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.594 1.991 -6.761 1.00 0.00 C ATOM 0 H ILE A 72 -0.604 1.092 -9.483 1.00 0.00 H new ATOM 0 HA ILE A 72 1.040 -1.342 -9.182 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.589 -0.217 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.973 0.432 -6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.019 0.832 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.024 -1.590 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.192 -2.571 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.868 -2.039 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.309 2.788 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.008 2.259 -7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.056 1.854 -5.897 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.114 -2.715 -9.182 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.267 -3.574 -9.104 1.00 0.00 C ATOM 1066 C LEU A 73 -1.910 -4.483 -7.925 1.00 0.00 C ATOM 1067 O LEU A 73 -2.022 -4.032 -6.792 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.623 -4.206 -10.462 1.00 0.00 C ATOM 1069 CG LEU A 73 -2.978 -3.132 -11.526 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.124 -3.730 -12.922 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.266 -2.373 -11.230 1.00 0.00 C ATOM 0 H LEU A 73 -0.246 -3.242 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.223 -3.089 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.783 -4.803 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.466 -4.885 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.137 -2.440 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.372 -2.941 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.186 -4.201 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.918 -4.476 -12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.446 -1.641 -12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.100 -3.074 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.174 -1.861 -10.272 1.00 0.00 H new ATOM 1083 N THR A 74 -1.339 -5.666 -8.127 1.00 0.00 N ATOM 1084 CA THR A 74 -1.010 -6.605 -7.051 1.00 0.00 C ATOM 1085 C THR A 74 0.457 -6.618 -6.630 1.00 0.00 C ATOM 1086 O THR A 74 1.289 -5.842 -7.100 1.00 0.00 O ATOM 1087 CB THR A 74 -1.456 -8.004 -7.499 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.244 -8.149 -8.893 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.912 -8.155 -7.075 1.00 0.00 C ATOM 0 H THR A 74 -1.087 -6.008 -9.054 1.00 0.00 H new ATOM 0 HA THR A 74 -1.541 -6.273 -6.159 1.00 0.00 H new ATOM 0 HB THR A 74 -0.877 -8.802 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.528 -9.043 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.277 -9.138 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.988 -8.052 -5.993 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.513 -7.384 -7.556 1.00 0.00 H new ATOM 1097 N ALA A 75 0.780 -7.558 -5.744 1.00 0.00 N ATOM 1098 CA ALA A 75 2.118 -7.884 -5.325 1.00 0.00 C ATOM 1099 C ALA A 75 3.086 -8.119 -6.471 1.00 0.00 C ATOM 1100 O ALA A 75 4.103 -7.439 -6.527 1.00 0.00 O ATOM 1101 CB ALA A 75 2.057 -9.091 -4.404 1.00 0.00 C ATOM 0 H ALA A 75 0.074 -8.133 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 75 2.516 -7.017 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.064 -9.351 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.443 -8.855 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.620 -9.935 -4.938 1.00 0.00 H new ATOM 1107 N GLU A 76 2.808 -9.044 -7.385 1.00 0.00 N ATOM 1108 CA GLU A 76 3.646 -9.252 -8.569 1.00 0.00 C ATOM 1109 C GLU A 76 3.609 -8.078 -9.545 1.00 0.00 C ATOM 1110 O GLU A 76 4.431 -8.012 -10.458 1.00 0.00 O ATOM 1111 CB GLU A 76 3.291 -10.575 -9.257 1.00 0.00 C ATOM 1112 CG GLU A 76 1.827 -10.758 -9.678 1.00 0.00 C ATOM 1113 CD GLU A 76 1.427 -12.242 -9.709 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.239 -13.104 -10.126 1.00 0.00 O ATOM 1115 OE2 GLU A 76 0.303 -12.567 -9.260 1.00 0.00 O ATOM 0 H GLU A 76 2.003 -9.668 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 76 4.677 -9.311 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.916 -10.676 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.557 -11.391 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.179 -10.221 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.674 -10.319 -10.664 1.00 0.00 H new ATOM 1122 N HIS A 77 2.715 -7.111 -9.344 1.00 0.00 N ATOM 1123 CA HIS A 77 2.729 -5.867 -10.093 1.00 0.00 C ATOM 1124 C HIS A 77 3.604 -4.816 -9.380 1.00 0.00 C ATOM 1125 O HIS A 77 3.961 -3.801 -9.982 1.00 0.00 O ATOM 1126 CB HIS A 77 1.286 -5.414 -10.276 1.00 0.00 C ATOM 1127 CG HIS A 77 1.121 -4.241 -11.188 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.567 -2.972 -10.938 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.270 -4.179 -12.246 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.922 -2.142 -11.755 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.157 -2.833 -12.613 1.00 0.00 N ATOM 0 H HIS A 77 1.964 -7.173 -8.657 1.00 0.00 H new ATOM 0 HA HIS A 77 3.176 -6.007 -11.077 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.702 -6.248 -10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.870 -5.162 -9.300 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.270 -2.708 -10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.227 -5.014 -12.717 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.003 -1.065 -11.730 1.00 0.00 H new ATOM 1139 N ARG A 78 3.989 -5.009 -8.113 1.00 0.00 N ATOM 1140 CA ARG A 78 4.912 -4.117 -7.416 1.00 0.00 C ATOM 1141 C ARG A 78 6.277 -4.795 -7.367 1.00 0.00 C ATOM 1142 O ARG A 78 7.234 -4.226 -7.884 1.00 0.00 O ATOM 1143 CB ARG A 78 4.366 -3.720 -6.028 1.00 0.00 C ATOM 1144 CG ARG A 78 4.882 -2.374 -5.464 1.00 0.00 C ATOM 1145 CD ARG A 78 6.417 -2.155 -5.420 1.00 0.00 C ATOM 1146 NE ARG A 78 6.866 -0.854 -5.956 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.059 -0.538 -7.247 1.00 0.00 C ATOM 1148 NH1 ARG A 78 6.859 -1.413 -8.222 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.460 0.678 -7.574 1.00 0.00 N ATOM 0 H ARG A 78 3.666 -5.792 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 78 5.019 -3.174 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.278 -3.676 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.617 -4.510 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.445 -1.571 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.498 -2.265 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.754 -2.244 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.901 -2.952 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 78 7.049 -0.118 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.549 -2.360 -8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.015 -1.140 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.622 1.374 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.607 0.920 -8.554 1.00 0.00 H new ATOM 1163 N LEU A 79 6.379 -5.899 -6.633 1.00 0.00 N ATOM 1164 CA LEU A 79 7.569 -6.630 -6.279 1.00 0.00 C ATOM 1165 C LEU A 79 7.909 -7.672 -7.349 1.00 0.00 C ATOM 1166 O LEU A 79 7.250 -7.764 -8.381 1.00 0.00 O ATOM 1167 CB LEU A 79 7.302 -7.371 -4.954 1.00 0.00 C ATOM 1168 CG LEU A 79 6.364 -6.798 -3.877 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.598 -7.625 -2.605 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.477 -5.320 -3.506 1.00 0.00 C ATOM 0 H LEU A 79 5.546 -6.337 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 79 8.400 -5.931 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.916 -8.356 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.271 -7.525 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 79 5.370 -6.865 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.953 -7.256 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.367 -8.672 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.640 -7.535 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.746 -5.082 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.480 -5.114 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.286 -4.708 -4.388 1.00 0.00 H new ATOM 1182 N GLU A 80 8.852 -8.555 -7.017 1.00 0.00 N ATOM 1183 CA GLU A 80 9.132 -9.797 -7.735 1.00 0.00 C ATOM 1184 C GLU A 80 7.971 -10.819 -7.702 1.00 0.00 C ATOM 1185 O GLU A 80 8.108 -11.916 -8.250 1.00 0.00 O ATOM 1186 CB GLU A 80 10.374 -10.430 -7.086 1.00 0.00 C ATOM 1187 CG GLU A 80 10.076 -11.002 -5.684 1.00 0.00 C ATOM 1188 CD GLU A 80 10.661 -10.203 -4.528 1.00 0.00 C ATOM 1189 OE1 GLU A 80 10.424 -8.980 -4.408 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.308 -10.809 -3.648 1.00 0.00 O ATOM 0 H GLU A 80 9.463 -8.419 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 80 9.283 -9.547 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.751 -11.226 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.163 -9.682 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.995 -11.063 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.461 -12.021 -5.634 1.00 0.00 H new ATOM 1197 N GLY A 81 6.899 -10.536 -6.947 1.00 0.00 N ATOM 1198 CA GLY A 81 5.817 -11.442 -6.635 1.00 0.00 C ATOM 1199 C GLY A 81 5.888 -12.016 -5.221 1.00 0.00 C ATOM 1200 O GLY A 81 6.251 -13.177 -5.043 1.00 0.00 O ATOM 0 H GLY A 81 6.770 -9.618 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.869 -10.918 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.823 -12.263 -7.352 1.00 0.00 H new ATOM 1204 N ARG A 82 5.534 -11.216 -4.207 1.00 0.00 N ATOM 1205 CA ARG A 82 5.213 -11.700 -2.855 1.00 0.00 C ATOM 1206 C ARG A 82 4.017 -10.926 -2.310 1.00 0.00 C ATOM 1207 O ARG A 82 2.891 -11.405 -2.391 1.00 0.00 O ATOM 1208 CB ARG A 82 6.398 -11.672 -1.860 1.00 0.00 C ATOM 1209 CG ARG A 82 7.383 -12.835 -2.034 1.00 0.00 C ATOM 1210 CD ARG A 82 8.529 -12.456 -2.969 1.00 0.00 C ATOM 1211 NE ARG A 82 9.033 -13.625 -3.705 1.00 0.00 N ATOM 1212 CZ ARG A 82 10.284 -14.095 -3.721 1.00 0.00 C ATOM 1213 NH1 ARG A 82 11.250 -13.493 -3.040 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.598 -15.174 -4.424 1.00 0.00 N ATOM 0 H ARG A 82 5.461 -10.203 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 82 4.966 -12.757 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.937 -10.732 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.006 -11.690 -0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.784 -13.123 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.858 -13.703 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.188 -11.699 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.339 -12.011 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 82 8.351 -14.135 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.044 -12.657 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.199 -13.866 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.880 -15.658 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.557 -15.520 -4.426 1.00 0.00 H new ATOM 1228 N PHE A 83 4.248 -9.726 -1.776 1.00 0.00 N ATOM 1229 CA PHE A 83 3.278 -8.931 -1.026 1.00 0.00 C ATOM 1230 C PHE A 83 3.203 -7.514 -1.601 1.00 0.00 C ATOM 1231 O PHE A 83 3.645 -7.266 -2.713 1.00 0.00 O ATOM 1232 CB PHE A 83 3.691 -8.911 0.452 1.00 0.00 C ATOM 1233 CG PHE A 83 4.120 -10.228 1.067 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.426 -11.418 0.775 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.217 -10.258 1.948 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.791 -12.623 1.386 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.593 -11.467 2.552 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.864 -12.635 2.286 1.00 0.00 C ATOM 0 H PHE A 83 5.153 -9.264 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 83 2.286 -9.374 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.511 -8.202 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.853 -8.524 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.605 -11.401 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.768 -9.353 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.252 -13.533 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.441 -11.498 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.134 -13.556 2.782 1.00 0.00 H new ATOM 1248 N THR A 84 2.664 -6.537 -0.887 1.00 0.00 N ATOM 1249 CA THR A 84 2.756 -5.132 -1.233 1.00 0.00 C ATOM 1250 C THR A 84 2.614 -4.341 0.060 1.00 0.00 C ATOM 1251 O THR A 84 1.626 -4.467 0.783 1.00 0.00 O ATOM 1252 CB THR A 84 1.712 -4.796 -2.311 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.377 -4.957 -3.542 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.152 -3.372 -2.291 1.00 0.00 C ATOM 0 H THR A 84 2.138 -6.707 -0.030 1.00 0.00 H new ATOM 0 HA THR A 84 3.715 -4.867 -1.677 1.00 0.00 H new ATOM 0 HB THR A 84 0.856 -5.448 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.041 -5.673 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.427 -3.255 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.665 -3.186 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.965 -2.659 -2.429 1.00 0.00 H new ATOM 1262 N VAL A 85 3.641 -3.551 0.353 1.00 0.00 N ATOM 1263 CA VAL A 85 3.634 -2.560 1.409 1.00 0.00 C ATOM 1264 C VAL A 85 2.887 -1.335 0.903 1.00 0.00 C ATOM 1265 O VAL A 85 3.073 -0.920 -0.243 1.00 0.00 O ATOM 1266 CB VAL A 85 5.101 -2.222 1.746 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.334 -0.795 2.274 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.634 -3.269 2.715 1.00 0.00 C ATOM 0 H VAL A 85 4.524 -3.588 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 85 3.138 -2.923 2.309 1.00 0.00 H new ATOM 0 HB VAL A 85 5.655 -2.247 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.394 -0.653 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.011 -0.072 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.761 -0.648 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.671 -3.042 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.034 -3.261 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.579 -4.254 2.253 1.00 0.00 H new ATOM 1278 N ILE A 86 2.153 -0.695 1.800 1.00 0.00 N ATOM 1279 CA ILE A 86 1.467 0.571 1.645 1.00 0.00 C ATOM 1280 C ILE A 86 1.931 1.445 2.781 1.00 0.00 C ATOM 1281 O ILE A 86 1.918 0.971 3.909 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.037 0.292 1.823 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.576 -0.553 0.651 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -0.899 1.552 2.003 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.328 0.075 -0.725 1.00 0.00 C ATOM 0 H ILE A 86 2.012 -1.084 2.732 1.00 0.00 H new ATOM 0 HA ILE A 86 1.660 1.040 0.680 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.119 -0.265 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.110 -1.538 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.647 -0.703 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.944 1.264 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.569 2.095 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.796 2.192 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.734 -0.575 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.817 1.048 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.744 0.199 -0.880 1.00 0.00 H new ATOM 1297 N ARG A 87 2.237 2.717 2.530 1.00 0.00 N ATOM 1298 CA ARG A 87 2.372 3.725 3.573 1.00 0.00 C ATOM 1299 C ARG A 87 1.474 4.890 3.172 1.00 0.00 C ATOM 1300 O ARG A 87 1.887 5.810 2.466 1.00 0.00 O ATOM 1301 CB ARG A 87 3.845 4.119 3.772 1.00 0.00 C ATOM 1302 CG ARG A 87 4.772 2.937 4.099 1.00 0.00 C ATOM 1303 CD ARG A 87 6.190 3.448 4.377 1.00 0.00 C ATOM 1304 NE ARG A 87 7.059 2.376 4.904 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.028 1.699 4.270 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.530 2.131 3.116 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.465 0.566 4.800 1.00 0.00 N ATOM 0 H ARG A 87 2.399 3.077 1.589 1.00 0.00 H new ATOM 0 HA ARG A 87 2.056 3.349 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.204 4.609 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.909 4.851 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.394 2.396 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.786 2.233 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.620 3.848 3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.148 4.269 5.093 1.00 0.00 H new ATOM 0 HE ARG A 87 6.902 2.117 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.178 2.992 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.267 1.601 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.065 0.224 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.201 0.036 4.334 1.00 0.00 H new ATOM 1321 N ARG A 88 0.193 4.789 3.514 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.852 5.756 3.258 1.00 0.00 C ATOM 1323 C ARG A 88 -0.776 6.783 4.398 1.00 0.00 C ATOM 1324 O ARG A 88 -1.408 6.576 5.426 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.196 4.979 3.185 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.215 5.372 2.113 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.719 6.808 1.997 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.757 7.884 2.210 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.089 9.144 2.500 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.321 9.632 2.421 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -2.136 9.949 2.923 1.00 0.00 N ATOM 0 H ARG A 88 -0.159 3.971 4.011 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.752 6.296 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.961 3.924 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.684 5.072 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.782 5.107 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.089 4.737 2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.148 6.934 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.531 6.937 2.713 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.765 7.659 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.089 9.031 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.499 10.608 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.181 9.603 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.353 10.919 3.154 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.021 7.876 4.222 1.00 0.00 N ATOM 1346 CA GLY A 89 0.268 8.928 5.206 1.00 0.00 C ATOM 1347 C GLY A 89 -0.816 9.153 6.268 1.00 0.00 C ATOM 1348 O GLY A 89 -0.581 8.906 7.447 1.00 0.00 O ATOM 0 H GLY A 89 0.435 8.061 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.202 8.682 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.431 9.865 4.673 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.012 9.584 5.849 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.208 9.851 6.663 1.00 0.00 C ATOM 1354 C LYS A 90 -3.494 8.774 7.706 1.00 0.00 C ATOM 1355 O LYS A 90 -4.050 9.066 8.769 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.409 9.946 5.700 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.798 9.799 6.341 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.940 10.042 5.347 1.00 0.00 C ATOM 1359 CE LYS A 90 -8.216 9.280 5.741 1.00 0.00 C ATOM 1360 NZ LYS A 90 -8.664 9.553 7.123 1.00 0.00 N ATOM 0 H LYS A 90 -2.183 9.769 4.861 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.037 10.775 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.366 10.908 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.299 9.176 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.895 8.798 6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.887 10.502 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.156 11.109 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.626 9.732 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.016 9.545 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.040 8.210 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.572 9.076 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.954 9.198 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.782 10.578 7.254 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.253 7.529 7.323 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.621 6.335 8.037 1.00 0.00 C ATOM 1376 C LYS A 91 -2.296 5.749 8.496 1.00 0.00 C ATOM 1377 O LYS A 91 -1.584 6.427 9.243 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.493 5.486 7.087 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.360 4.449 7.805 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.609 5.084 8.436 1.00 0.00 C ATOM 1381 CE LYS A 91 -7.454 4.079 9.227 1.00 0.00 C ATOM 1382 NZ LYS A 91 -7.805 2.885 8.433 1.00 0.00 N ATOM 0 H LYS A 91 -2.765 7.323 6.451 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.240 6.451 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.138 6.149 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.846 4.974 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.663 3.677 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.772 3.958 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.303 5.894 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.221 5.527 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.906 3.771 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.368 4.566 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.626 2.412 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.039 3.171 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.998 2.230 8.416 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.922 4.548 8.057 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.646 3.968 8.406 1.00 0.00 C ATOM 1398 C LYS A 92 -0.109 3.103 7.266 1.00 0.00 C ATOM 1399 O LYS A 92 -0.303 3.376 6.066 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.791 3.255 9.774 1.00 0.00 C ATOM 1401 CG LYS A 92 0.507 3.301 10.610 1.00 0.00 C ATOM 1402 CD LYS A 92 0.789 4.688 11.218 1.00 0.00 C ATOM 1403 CE LYS A 92 -0.097 4.942 12.441 1.00 0.00 C ATOM 1404 NZ LYS A 92 0.458 4.277 13.639 1.00 0.00 N ATOM 0 H LYS A 92 -2.498 3.961 7.454 1.00 0.00 H new ATOM 0 HA LYS A 92 0.120 4.733 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.599 3.721 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.076 2.216 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.441 2.566 11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.348 3.010 9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.838 4.757 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.611 5.460 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.179 6.014 12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.104 4.573 12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.158 4.462 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.513 3.252 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.410 4.648 13.832 1.00 0.00 H new ATOM 1418 N TYR A 93 0.668 2.116 7.684 1.00 0.00 N ATOM 1419 CA TYR A 93 1.553 1.305 6.908 1.00 0.00 C ATOM 1420 C TYR A 93 0.947 -0.094 6.877 1.00 0.00 C ATOM 1421 O TYR A 93 1.004 -0.775 7.890 1.00 0.00 O ATOM 1422 CB TYR A 93 2.913 1.226 7.597 1.00 0.00 C ATOM 1423 CG TYR A 93 3.869 2.409 7.600 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.453 3.755 7.519 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.240 2.120 7.740 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.399 4.793 7.589 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.188 3.146 7.835 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.769 4.489 7.760 1.00 0.00 C ATOM 1429 OH TYR A 93 6.680 5.490 7.842 1.00 0.00 O ATOM 0 H TYR A 93 0.686 1.849 8.668 1.00 0.00 H new ATOM 0 HA TYR A 93 1.682 1.718 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.726 0.966 8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.447 0.387 7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.405 3.989 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.565 1.091 7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.079 5.822 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.234 2.909 7.965 1.00 0.00 H new ATOM 0 HH TYR A 93 7.575 5.109 7.960 1.00 0.00 H new ATOM 1439 N TYR A 94 0.334 -0.519 5.780 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.390 -1.771 5.674 1.00 0.00 C ATOM 1441 C TYR A 94 0.323 -2.707 4.728 1.00 0.00 C ATOM 1442 O TYR A 94 1.192 -2.303 3.951 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.760 -1.419 5.140 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.650 -0.690 6.120 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.441 -1.420 7.027 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -2.720 0.715 6.092 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.344 -0.749 7.868 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -3.627 1.389 6.923 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.447 0.658 7.810 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.346 1.315 8.589 1.00 0.00 O ATOM 0 H TYR A 94 0.329 0.019 4.913 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.459 -2.277 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.641 -0.802 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.260 -2.336 4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.354 -2.495 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.075 1.275 5.431 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.959 -1.308 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.698 2.466 6.884 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.490 0.812 9.418 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.096 -3.965 4.796 1.00 0.00 N ATOM 1461 CA LEU A 95 0.492 -5.054 4.057 1.00 0.00 C ATOM 1462 C LEU A 95 -0.616 -5.817 3.360 1.00 0.00 C ATOM 1463 O LEU A 95 -1.635 -6.142 3.966 1.00 0.00 O ATOM 1464 CB LEU A 95 1.310 -5.949 4.991 1.00 0.00 C ATOM 1465 CG LEU A 95 2.004 -7.142 4.306 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.844 -6.687 3.109 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.934 -7.866 5.287 1.00 0.00 C ATOM 0 H LEU A 95 -0.876 -4.254 5.386 1.00 0.00 H new ATOM 0 HA LEU A 95 1.181 -4.675 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.069 -5.339 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.653 -6.330 5.773 1.00 0.00 H new ATOM 0 HG LEU A 95 1.215 -7.813 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.320 -7.553 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.201 -6.195 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.610 -5.989 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.413 -8.705 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.696 -7.174 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.354 -8.235 6.133 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.413 -6.100 2.085 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.345 -6.826 1.244 1.00 0.00 C ATOM 1481 C ILE A 96 -0.587 -8.000 0.643 1.00 0.00 C ATOM 1482 O ILE A 96 0.533 -7.842 0.169 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.937 -5.883 0.172 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.826 -4.786 0.801 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.764 -6.693 -0.839 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -2.088 -3.479 1.085 1.00 0.00 C ATOM 0 H ILE A 96 0.435 -5.820 1.591 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.193 -7.205 1.813 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.104 -5.395 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.662 -4.582 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.248 -5.164 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.178 -6.022 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.125 -7.431 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.577 -7.202 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.778 -2.760 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.269 -3.667 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.690 -3.076 0.154 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.196 -9.177 0.652 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.759 -10.373 -0.031 1.00 0.00 C ATOM 1500 C ARG A 97 -1.939 -10.993 -0.791 1.00 0.00 C ATOM 1501 O ARG A 97 -3.101 -10.565 -0.702 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.090 -11.315 0.997 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.782 -11.478 2.358 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.075 -12.467 3.288 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.293 -13.881 2.924 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.117 -14.912 3.764 1.00 0.00 C ATOM 1507 NH1 ARG A 97 0.172 -14.704 5.045 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -0.233 -16.157 3.332 1.00 0.00 N ATOM 0 H ARG A 97 -2.062 -9.325 1.171 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.006 -10.154 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.002 -12.302 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.923 -10.955 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.836 -10.506 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.807 -11.812 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.995 -12.259 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.423 -12.306 4.308 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.597 -14.087 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.262 -13.752 5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.303 -15.497 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.458 -16.339 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.098 -16.935 3.977 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.647 -12.045 -1.540 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.633 -12.927 -2.103 1.00 0.00 C ATOM 1524 C TYR A 98 -2.441 -14.339 -1.572 1.00 0.00 C ATOM 1525 O TYR A 98 -1.428 -14.636 -0.935 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.615 -12.864 -3.637 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.313 -12.592 -4.357 1.00 0.00 C ATOM 1528 CD1 TYR A 98 -0.105 -13.148 -3.900 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.334 -11.838 -5.547 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.080 -12.944 -4.612 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -0.144 -11.621 -6.261 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.065 -12.195 -5.805 1.00 0.00 C ATOM 1533 OH TYR A 98 2.221 -11.989 -6.482 1.00 0.00 O ATOM 0 H TYR A 98 -0.690 -12.308 -1.774 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.624 -12.597 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.000 -13.814 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.323 -12.093 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.093 -13.736 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.264 -11.427 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.007 -13.361 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.152 -11.017 -7.156 1.00 0.00 H new ATOM 0 HH TYR A 98 2.355 -12.713 -7.128 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.435 -15.185 -1.832 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.370 -16.619 -1.680 1.00 0.00 C ATOM 1545 C ALA A 99 -4.084 -17.296 -2.847 1.00 0.00 C ATOM 1546 O ALA A 99 -5.238 -17.714 -2.737 1.00 0.00 O ATOM 1547 CB ALA A 99 -3.887 -17.051 -0.306 1.00 0.00 C ATOM 0 H ALA A 99 -4.343 -14.866 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.331 -16.946 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.827 -18.136 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.279 -16.590 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.924 -16.735 -0.192 1.00 0.00 H new