USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -131:sc= 0.0735 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.183 USER MOD Set 2.1: A 43 TYR OH : rot 15:sc= 0.00304 USER MOD Set 2.2: A 64 MET CE :methyl -145:sc= -0.0197 (180deg=-1.55!) USER MOD Set 2.3: A 80 GLN : amide:sc= 0.37 X(o=0.35,f=0.19) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc=-0.000225 (180deg=-0.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.375 K(o=0.38,f=-4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -70:sc= 0.509 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.3 (180deg=0.839) USER MOD Single : A 61 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.43 X(o=0.43,f=0) USER MOD Single : A 78 MET CE :methyl 146:sc=-3.35e-05 (180deg=-0.467) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.814 K(o=0.81,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0807 K(o=-0.081,f=-2.6!) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0.726 (180deg=0.724) USER MOD Single : A 93 LYS NZ :NH3+ -131:sc= 0.0593 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 2.527 9.950 -9.499 1.00 0.00 N ATOM 175 CA LEU A 14 2.873 9.951 -10.923 1.00 0.00 C ATOM 176 C LEU A 14 1.634 10.182 -11.806 1.00 0.00 C ATOM 177 O LEU A 14 1.771 10.491 -12.992 1.00 0.00 O ATOM 178 CB LEU A 14 3.512 8.589 -11.243 1.00 0.00 C ATOM 179 CG LEU A 14 4.762 8.265 -10.388 1.00 0.00 C ATOM 180 CD1 LEU A 14 4.695 6.800 -9.944 1.00 0.00 C ATOM 181 CD2 LEU A 14 6.056 8.545 -11.166 1.00 0.00 C ATOM 0 HA LEU A 14 3.566 10.766 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.769 7.806 -11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.789 8.568 -12.297 1.00 0.00 H new ATOM 0 HG LEU A 14 4.771 8.910 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.571 6.562 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.793 6.640 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.673 6.154 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.916 8.308 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.081 7.929 -12.065 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.091 9.598 -11.447 1.00 0.00 H new ATOM 193 N LEU A 15 0.435 10.014 -11.233 1.00 0.00 N ATOM 194 CA LEU A 15 -0.847 10.097 -11.941 1.00 0.00 C ATOM 195 C LEU A 15 -1.350 11.538 -12.124 1.00 0.00 C ATOM 196 O LEU A 15 -0.754 12.518 -11.676 1.00 0.00 O ATOM 197 CB LEU A 15 -1.925 9.249 -11.228 1.00 0.00 C ATOM 198 CG LEU A 15 -1.524 7.820 -10.811 1.00 0.00 C ATOM 199 CD1 LEU A 15 -2.748 7.104 -10.227 1.00 0.00 C ATOM 200 CD2 LEU A 15 -0.952 7.001 -11.980 1.00 0.00 C ATOM 0 H LEU A 15 0.328 9.812 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.665 9.695 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.244 9.786 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.792 9.180 -11.885 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.735 7.903 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.471 6.093 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.109 7.652 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.536 7.058 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.686 6.004 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.700 6.921 -12.769 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.064 7.497 -12.371 1.00 0.00 H new ATOM 212 N SER A 16 -2.502 11.641 -12.774 1.00 0.00 N ATOM 213 CA SER A 16 -3.255 12.863 -13.029 1.00 0.00 C ATOM 214 C SER A 16 -4.252 13.180 -11.898 1.00 0.00 C ATOM 215 O SER A 16 -4.736 12.257 -11.231 1.00 0.00 O ATOM 216 CB SER A 16 -4.010 12.658 -14.344 1.00 0.00 C ATOM 217 OG SER A 16 -3.138 12.727 -15.464 1.00 0.00 O ATOM 0 H SER A 16 -2.966 10.820 -13.163 1.00 0.00 H new ATOM 0 HA SER A 16 -2.568 13.707 -13.084 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.510 11.689 -14.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.787 13.416 -14.440 1.00 0.00 H new ATOM 0 HG SER A 16 -3.652 12.590 -16.287 1.00 0.00 H new ATOM 223 N PRO A 17 -4.643 14.461 -11.727 1.00 0.00 N ATOM 224 CA PRO A 17 -5.584 14.904 -10.696 1.00 0.00 C ATOM 225 C PRO A 17 -6.992 14.313 -10.858 1.00 0.00 C ATOM 226 O PRO A 17 -7.768 14.331 -9.906 1.00 0.00 O ATOM 227 CB PRO A 17 -5.609 16.433 -10.804 1.00 0.00 C ATOM 228 CG PRO A 17 -5.260 16.694 -12.269 1.00 0.00 C ATOM 229 CD PRO A 17 -4.273 15.574 -12.585 1.00 0.00 C ATOM 0 HA PRO A 17 -5.260 14.558 -9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.588 16.837 -10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.886 16.895 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.141 16.649 -12.909 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.814 17.678 -12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.327 15.291 -13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.248 15.891 -12.393 1.00 0.00 H new ATOM 237 N GLU A 18 -7.317 13.769 -12.037 1.00 0.00 N ATOM 238 CA GLU A 18 -8.590 13.095 -12.319 1.00 0.00 C ATOM 239 C GLU A 18 -8.552 11.597 -11.961 1.00 0.00 C ATOM 240 O GLU A 18 -9.573 11.035 -11.571 1.00 0.00 O ATOM 241 CB GLU A 18 -8.948 13.262 -13.807 1.00 0.00 C ATOM 242 CG GLU A 18 -8.890 14.718 -14.290 1.00 0.00 C ATOM 243 CD GLU A 18 -9.450 14.850 -15.713 1.00 0.00 C ATOM 244 OE1 GLU A 18 -8.683 14.668 -16.689 1.00 0.00 O ATOM 245 OE2 GLU A 18 -10.659 15.142 -15.870 1.00 0.00 O ATOM 0 H GLU A 18 -6.688 13.786 -12.840 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.351 13.562 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.265 12.661 -14.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.951 12.870 -13.978 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.460 15.353 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.859 15.071 -14.267 1.00 0.00 H new ATOM 252 N GLU A 19 -7.384 10.951 -12.055 1.00 0.00 N ATOM 253 CA GLU A 19 -7.199 9.510 -11.824 1.00 0.00 C ATOM 254 C GLU A 19 -7.404 9.144 -10.351 1.00 0.00 C ATOM 255 O GLU A 19 -8.131 8.211 -10.014 1.00 0.00 O ATOM 256 CB GLU A 19 -5.768 9.108 -12.214 1.00 0.00 C ATOM 257 CG GLU A 19 -5.547 8.909 -13.714 1.00 0.00 C ATOM 258 CD GLU A 19 -6.320 7.702 -14.270 1.00 0.00 C ATOM 259 OE1 GLU A 19 -5.901 6.547 -14.027 1.00 0.00 O ATOM 260 OE2 GLU A 19 -7.338 7.903 -14.973 1.00 0.00 O ATOM 0 H GLU A 19 -6.516 11.428 -12.301 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.937 8.984 -12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.080 9.875 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.511 8.184 -11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.855 9.809 -14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.483 8.774 -13.906 1.00 0.00 H new ATOM 267 N LEU A 20 -6.751 9.908 -9.476 1.00 0.00 N ATOM 268 CA LEU A 20 -6.736 9.726 -8.020 1.00 0.00 C ATOM 269 C LEU A 20 -8.144 9.935 -7.454 1.00 0.00 C ATOM 270 O LEU A 20 -8.657 9.124 -6.680 1.00 0.00 O ATOM 271 CB LEU A 20 -5.747 10.746 -7.419 1.00 0.00 C ATOM 272 CG LEU A 20 -4.322 10.699 -8.022 1.00 0.00 C ATOM 273 CD1 LEU A 20 -3.775 12.125 -8.158 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.383 9.815 -7.191 1.00 0.00 C ATOM 0 H LEU A 20 -6.192 10.708 -9.774 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.420 8.715 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.152 11.749 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.678 10.575 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.379 10.247 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.772 12.091 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.427 12.704 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.737 12.595 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.393 9.807 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.313 10.210 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.775 8.798 -7.158 1.00 0.00 H new ATOM 286 N LYS A 21 -8.800 11.004 -7.914 1.00 0.00 N ATOM 287 CA LYS A 21 -10.201 11.312 -7.607 1.00 0.00 C ATOM 288 C LYS A 21 -11.153 10.218 -8.119 1.00 0.00 C ATOM 289 O LYS A 21 -12.045 9.807 -7.376 1.00 0.00 O ATOM 290 CB LYS A 21 -10.555 12.694 -8.189 1.00 0.00 C ATOM 291 CG LYS A 21 -10.215 13.890 -7.279 1.00 0.00 C ATOM 292 CD LYS A 21 -8.783 13.901 -6.714 1.00 0.00 C ATOM 293 CE LYS A 21 -8.409 15.253 -6.089 1.00 0.00 C ATOM 294 NZ LYS A 21 -8.242 16.319 -7.115 1.00 0.00 N ATOM 0 H LYS A 21 -8.363 11.695 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.326 11.341 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.031 12.817 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.622 12.716 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.373 14.810 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.917 13.902 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.686 13.117 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.079 13.666 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.182 15.550 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.483 15.147 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.812 17.159 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.626 15.973 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.171 16.571 -7.508 1.00 0.00 H new ATOM 308 N ALA A 22 -10.946 9.690 -9.331 1.00 0.00 N ATOM 309 CA ALA A 22 -11.775 8.610 -9.883 1.00 0.00 C ATOM 310 C ALA A 22 -11.597 7.283 -9.122 1.00 0.00 C ATOM 311 O ALA A 22 -12.587 6.614 -8.821 1.00 0.00 O ATOM 312 CB ALA A 22 -11.466 8.463 -11.380 1.00 0.00 C ATOM 0 H ALA A 22 -10.201 9.998 -9.956 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.825 8.875 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.076 7.664 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.691 9.399 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.411 8.222 -11.512 1.00 0.00 H new ATOM 391 N GLU A 29 -12.827 1.963 -0.955 1.00 0.00 N ATOM 392 CA GLU A 29 -11.965 0.960 -0.320 1.00 0.00 C ATOM 393 C GLU A 29 -10.477 1.265 -0.554 1.00 0.00 C ATOM 394 O GLU A 29 -10.136 2.265 -1.179 1.00 0.00 O ATOM 395 CB GLU A 29 -12.316 -0.432 -0.864 1.00 0.00 C ATOM 396 CG GLU A 29 -12.775 -1.404 0.233 1.00 0.00 C ATOM 397 CD GLU A 29 -14.092 -0.964 0.893 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.168 -1.132 0.274 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.059 -0.471 2.046 1.00 0.00 O ATOM 0 HA GLU A 29 -12.139 0.988 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.104 -0.337 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.446 -0.849 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.901 -2.398 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.999 -1.481 0.994 1.00 0.00 H new ATOM 406 N TYR A 30 -9.594 0.385 -0.071 1.00 0.00 N ATOM 407 CA TYR A 30 -8.134 0.488 -0.185 1.00 0.00 C ATOM 408 C TYR A 30 -7.424 -0.791 0.285 1.00 0.00 C ATOM 409 O TYR A 30 -7.912 -1.512 1.159 1.00 0.00 O ATOM 410 CB TYR A 30 -7.610 1.691 0.612 1.00 0.00 C ATOM 411 CG TYR A 30 -7.751 1.522 2.113 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.018 1.645 2.720 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.631 1.153 2.884 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.157 1.433 4.106 1.00 0.00 C ATOM 415 CE2 TYR A 30 -6.768 0.926 4.267 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.030 1.078 4.884 1.00 0.00 C ATOM 417 OH TYR A 30 -8.154 0.867 6.225 1.00 0.00 O ATOM 0 H TYR A 30 -9.888 -0.453 0.431 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.910 0.627 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.560 1.850 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.149 2.586 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.881 1.901 2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.665 1.044 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.124 1.542 4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.910 0.636 4.855 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.281 0.630 6.601 1.00 0.00 H new ATOM 427 N ALA A 31 -6.245 -1.040 -0.281 1.00 0.00 N ATOM 428 CA ALA A 31 -5.363 -2.151 0.054 1.00 0.00 C ATOM 429 C ALA A 31 -3.902 -1.798 -0.246 1.00 0.00 C ATOM 430 O ALA A 31 -3.610 -0.965 -1.107 1.00 0.00 O ATOM 431 CB ALA A 31 -5.821 -3.395 -0.721 1.00 0.00 C ATOM 0 H ALA A 31 -5.864 -0.446 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.420 -2.360 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.169 -4.235 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.846 -3.640 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.773 -3.195 -1.791 1.00 0.00 H new ATOM 437 N TRP A 32 -2.993 -2.468 0.458 1.00 0.00 N ATOM 438 CA TRP A 32 -1.549 -2.391 0.244 1.00 0.00 C ATOM 439 C TRP A 32 -1.017 -3.771 -0.154 1.00 0.00 C ATOM 440 O TRP A 32 -1.501 -4.799 0.321 1.00 0.00 O ATOM 441 CB TRP A 32 -0.853 -1.857 1.505 1.00 0.00 C ATOM 442 CG TRP A 32 -1.018 -0.391 1.773 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.179 0.244 2.047 1.00 0.00 C ATOM 444 CD2 TRP A 32 0.011 0.647 1.783 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.948 1.594 2.205 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.610 1.896 2.086 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.410 0.662 1.577 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.113 3.093 2.180 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.147 1.858 1.686 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.502 3.071 1.985 1.00 0.00 C ATOM 0 H TRP A 32 -3.248 -3.100 1.217 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.334 -1.696 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.230 -2.409 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.212 -2.075 1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.144 -0.235 2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.677 2.283 2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.921 -0.257 1.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.393 4.021 2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.217 1.843 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.074 3.983 2.064 1.00 0.00 H new ATOM 461 N TYR A 33 -0.001 -3.783 -1.013 1.00 0.00 N ATOM 462 CA TYR A 33 0.597 -4.985 -1.596 1.00 0.00 C ATOM 463 C TYR A 33 2.129 -4.929 -1.545 1.00 0.00 C ATOM 464 O TYR A 33 2.717 -3.851 -1.551 1.00 0.00 O ATOM 465 CB TYR A 33 0.119 -5.145 -3.049 1.00 0.00 C ATOM 466 CG TYR A 33 -1.343 -5.516 -3.227 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.348 -4.532 -3.116 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.696 -6.844 -3.544 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.702 -4.878 -3.286 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.049 -7.194 -3.719 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.056 -6.212 -3.584 1.00 0.00 C ATOM 472 OH TYR A 33 -5.369 -6.539 -3.752 1.00 0.00 O ATOM 0 H TYR A 33 0.446 -2.925 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 33 0.278 -5.846 -1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.304 -4.210 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.729 -5.909 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.077 -3.509 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.927 -7.594 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.469 -4.124 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.317 -8.213 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.445 -7.495 -3.953 1.00 0.00 H new ATOM 482 N TYR A 34 2.774 -6.095 -1.547 1.00 0.00 N ATOM 483 CA TYR A 34 4.231 -6.272 -1.557 1.00 0.00 C ATOM 484 C TYR A 34 4.645 -7.372 -2.549 1.00 0.00 C ATOM 485 O TYR A 34 3.883 -8.317 -2.765 1.00 0.00 O ATOM 486 CB TYR A 34 4.713 -6.620 -0.138 1.00 0.00 C ATOM 487 CG TYR A 34 4.208 -7.940 0.424 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.992 -7.989 1.132 1.00 0.00 C ATOM 489 CD2 TYR A 34 4.968 -9.117 0.259 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.527 -9.207 1.663 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.510 -10.339 0.788 1.00 0.00 C ATOM 492 CZ TYR A 34 3.284 -10.386 1.493 1.00 0.00 C ATOM 493 OH TYR A 34 2.830 -11.565 2.005 1.00 0.00 O ATOM 0 H TYR A 34 2.275 -6.984 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 34 4.696 -5.341 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.803 -6.640 -0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.409 -5.819 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.413 -7.088 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.906 -9.081 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.591 -9.239 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.093 -11.238 0.656 1.00 0.00 H new ATOM 0 HH TYR A 34 3.469 -12.279 1.799 1.00 0.00 H new ATOM 503 N GLU A 35 5.839 -7.282 -3.141 1.00 0.00 N ATOM 504 CA GLU A 35 6.374 -8.373 -3.966 1.00 0.00 C ATOM 505 C GLU A 35 6.856 -9.539 -3.089 1.00 0.00 C ATOM 506 O GLU A 35 7.791 -9.394 -2.295 1.00 0.00 O ATOM 507 CB GLU A 35 7.512 -7.905 -4.889 1.00 0.00 C ATOM 508 CG GLU A 35 7.023 -6.996 -6.022 1.00 0.00 C ATOM 509 CD GLU A 35 8.026 -6.979 -7.189 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.172 -6.506 -7.009 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.681 -7.464 -8.295 1.00 0.00 O ATOM 0 H GLU A 35 6.452 -6.470 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 35 5.555 -8.715 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.257 -7.372 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.008 -8.776 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.052 -7.342 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.882 -5.983 -5.645 1.00 0.00 H new ATOM 518 N GLY A 36 6.219 -10.702 -3.258 1.00 0.00 N ATOM 519 CA GLY A 36 6.637 -11.991 -2.698 1.00 0.00 C ATOM 520 C GLY A 36 7.471 -12.808 -3.689 1.00 0.00 C ATOM 521 O GLY A 36 8.025 -12.276 -4.655 1.00 0.00 O ATOM 0 H GLY A 36 5.365 -10.774 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.217 -11.820 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.755 -12.563 -2.409 1.00 0.00 H new ATOM 525 N ARG A 37 7.540 -14.125 -3.459 1.00 0.00 N ATOM 526 CA ARG A 37 8.314 -15.069 -4.281 1.00 0.00 C ATOM 527 C ARG A 37 7.761 -15.239 -5.711 1.00 0.00 C ATOM 528 O ARG A 37 8.528 -15.526 -6.631 1.00 0.00 O ATOM 529 CB ARG A 37 8.360 -16.420 -3.536 1.00 0.00 C ATOM 530 CG ARG A 37 9.232 -17.517 -4.176 1.00 0.00 C ATOM 531 CD ARG A 37 10.705 -17.131 -4.384 1.00 0.00 C ATOM 532 NE ARG A 37 11.383 -16.826 -3.109 1.00 0.00 N ATOM 533 CZ ARG A 37 12.602 -16.317 -2.968 1.00 0.00 C ATOM 534 NH1 ARG A 37 13.367 -16.039 -4.005 1.00 0.00 N ATOM 535 NH2 ARG A 37 13.075 -16.079 -1.764 1.00 0.00 N ATOM 0 H ARG A 37 7.052 -14.574 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 37 9.317 -14.665 -4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.722 -16.241 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.342 -16.799 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.190 -18.407 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.802 -17.786 -5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.226 -17.947 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.763 -16.264 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 37 10.865 -17.025 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.027 -16.214 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.298 -15.649 -3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.506 -16.285 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.010 -15.688 -1.652 1.00 0.00 H new ATOM 549 N ASN A 38 6.448 -15.061 -5.900 1.00 0.00 N ATOM 550 CA ASN A 38 5.728 -15.410 -7.141 1.00 0.00 C ATOM 551 C ASN A 38 4.734 -14.375 -7.703 1.00 0.00 C ATOM 552 O ASN A 38 4.160 -14.573 -8.777 1.00 0.00 O ATOM 553 CB ASN A 38 5.087 -16.779 -6.951 1.00 0.00 C ATOM 554 CG ASN A 38 3.913 -16.794 -5.984 1.00 0.00 C ATOM 555 OD1 ASN A 38 3.944 -16.184 -4.923 1.00 0.00 O ATOM 556 ND2 ASN A 38 2.852 -17.484 -6.341 1.00 0.00 N ATOM 0 H ASN A 38 5.840 -14.663 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 38 6.484 -15.422 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.749 -17.146 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.845 -17.475 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.036 -17.517 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.845 -17.986 -7.229 1.00 0.00 H new ATOM 563 N GLY A 39 4.550 -13.266 -6.991 1.00 0.00 N ATOM 564 CA GLY A 39 3.754 -12.103 -7.414 1.00 0.00 C ATOM 565 C GLY A 39 3.551 -11.057 -6.321 1.00 0.00 C ATOM 566 O GLY A 39 4.158 -11.136 -5.252 1.00 0.00 O ATOM 0 H GLY A 39 4.965 -13.142 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.243 -11.632 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.779 -12.449 -7.757 1.00 0.00 H new ATOM 570 N TRP A 40 2.689 -10.074 -6.590 1.00 0.00 N ATOM 571 CA TRP A 40 2.206 -9.116 -5.593 1.00 0.00 C ATOM 572 C TRP A 40 1.145 -9.757 -4.685 1.00 0.00 C ATOM 573 O TRP A 40 0.169 -10.329 -5.178 1.00 0.00 O ATOM 574 CB TRP A 40 1.622 -7.882 -6.290 1.00 0.00 C ATOM 575 CG TRP A 40 2.582 -7.115 -7.140 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.804 -7.343 -8.453 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.455 -6.002 -6.772 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.757 -6.465 -8.920 1.00 0.00 N ATOM 579 CE2 TRP A 40 4.173 -5.593 -7.935 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.700 -5.285 -5.581 1.00 0.00 C ATOM 581 CZ2 TRP A 40 5.070 -4.514 -7.925 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.599 -4.200 -5.560 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.276 -3.807 -6.729 1.00 0.00 C ATOM 0 H TRP A 40 2.301 -9.919 -7.521 1.00 0.00 H new ATOM 0 HA TRP A 40 3.050 -8.813 -4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.784 -8.199 -6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.220 -7.212 -5.530 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.310 -8.098 -9.046 1.00 0.00 H new ATOM 0 HE1 TRP A 40 4.112 -6.460 -9.876 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.191 -5.572 -4.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.595 -4.231 -8.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.770 -3.665 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.952 -2.965 -6.707 1.00 0.00 H new ATOM 594 N TRP A 41 1.310 -9.615 -3.369 1.00 0.00 N ATOM 595 CA TRP A 41 0.433 -10.192 -2.344 1.00 0.00 C ATOM 596 C TRP A 41 0.012 -9.132 -1.321 1.00 0.00 C ATOM 597 O TRP A 41 0.761 -8.197 -1.044 1.00 0.00 O ATOM 598 CB TRP A 41 1.138 -11.402 -1.710 1.00 0.00 C ATOM 599 CG TRP A 41 1.477 -12.466 -2.710 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.719 -12.894 -3.024 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.577 -13.158 -3.629 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.657 -13.775 -4.088 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.361 -13.931 -4.535 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.822 -13.169 -3.815 1.00 0.00 C ATOM 605 CZ2 TRP A 41 0.785 -14.642 -5.601 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.410 -13.885 -4.872 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.610 -14.616 -5.770 1.00 0.00 C ATOM 0 H TRP A 41 2.082 -9.079 -2.973 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.494 -10.545 -2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.051 -11.068 -1.218 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.497 -11.827 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.625 -12.593 -2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.466 -14.249 -4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.452 -12.617 -3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.407 -15.202 -6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.483 -13.874 -4.996 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.067 -15.155 -6.587 1.00 0.00 H new ATOM 618 N GLN A 42 -1.220 -9.237 -0.817 1.00 0.00 N ATOM 619 CA GLN A 42 -1.850 -8.190 -0.010 1.00 0.00 C ATOM 620 C GLN A 42 -1.451 -8.281 1.474 1.00 0.00 C ATOM 621 O GLN A 42 -1.394 -9.369 2.050 1.00 0.00 O ATOM 622 CB GLN A 42 -3.377 -8.282 -0.178 1.00 0.00 C ATOM 623 CG GLN A 42 -4.087 -6.976 0.213 1.00 0.00 C ATOM 624 CD GLN A 42 -5.612 -7.118 0.261 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.247 -7.730 -0.591 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.264 -6.570 1.267 1.00 0.00 N ATOM 0 H GLN A 42 -1.812 -10.056 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.498 -7.221 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.612 -8.525 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.759 -9.098 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.727 -6.650 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.822 -6.196 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.754 -6.057 1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.278 -6.659 1.326 1.00 0.00 H new ATOM 635 N TYR A 43 -1.217 -7.128 2.107 1.00 0.00 N ATOM 636 CA TYR A 43 -1.060 -7.008 3.562 1.00 0.00 C ATOM 637 C TYR A 43 -2.381 -7.272 4.318 1.00 0.00 C ATOM 638 O TYR A 43 -3.481 -7.091 3.785 1.00 0.00 O ATOM 639 CB TYR A 43 -0.532 -5.607 3.908 1.00 0.00 C ATOM 640 CG TYR A 43 0.948 -5.404 3.667 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.885 -5.906 4.592 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.392 -4.687 2.541 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.260 -5.693 4.390 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.764 -4.461 2.336 1.00 0.00 C ATOM 645 CZ TYR A 43 3.701 -4.972 3.259 1.00 0.00 C ATOM 646 OH TYR A 43 5.028 -4.785 3.038 1.00 0.00 O ATOM 0 H TYR A 43 -1.130 -6.238 1.617 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.347 -7.768 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.084 -4.872 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.745 -5.404 4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.546 -6.455 5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.674 -4.308 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.977 -6.080 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.099 -3.899 1.477 1.00 0.00 H new ATOM 0 HH TYR A 43 5.543 -5.398 3.603 1.00 0.00 H new ATOM 656 N ASP A 44 -2.268 -7.664 5.590 1.00 0.00 N ATOM 657 CA ASP A 44 -3.400 -7.873 6.502 1.00 0.00 C ATOM 658 C ASP A 44 -4.194 -6.574 6.764 1.00 0.00 C ATOM 659 O ASP A 44 -3.651 -5.469 6.679 1.00 0.00 O ATOM 660 CB ASP A 44 -2.862 -8.488 7.800 1.00 0.00 C ATOM 661 CG ASP A 44 -3.982 -8.804 8.794 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.658 -9.846 8.628 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.213 -7.971 9.698 1.00 0.00 O ATOM 0 H ASP A 44 -1.365 -7.850 6.027 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.112 -8.556 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.315 -9.402 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.153 -7.800 8.260 1.00 0.00 H new ATOM 668 N GLU A 45 -5.480 -6.699 7.113 1.00 0.00 N ATOM 669 CA GLU A 45 -6.401 -5.578 7.327 1.00 0.00 C ATOM 670 C GLU A 45 -6.037 -4.721 8.549 1.00 0.00 C ATOM 671 O GLU A 45 -6.425 -3.555 8.612 1.00 0.00 O ATOM 672 CB GLU A 45 -7.851 -6.094 7.422 1.00 0.00 C ATOM 673 CG GLU A 45 -8.046 -7.242 8.429 1.00 0.00 C ATOM 674 CD GLU A 45 -9.530 -7.527 8.697 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.246 -7.979 7.773 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.980 -7.317 9.849 1.00 0.00 O ATOM 0 H GLU A 45 -5.920 -7.608 7.258 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.309 -4.920 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.502 -5.266 7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.170 -6.432 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.567 -8.144 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.550 -6.990 9.366 1.00 0.00 H new ATOM 683 N ARG A 46 -5.263 -5.266 9.500 1.00 0.00 N ATOM 684 CA ARG A 46 -4.778 -4.547 10.685 1.00 0.00 C ATOM 685 C ARG A 46 -3.376 -3.952 10.471 1.00 0.00 C ATOM 686 O ARG A 46 -2.946 -3.113 11.268 1.00 0.00 O ATOM 687 CB ARG A 46 -4.790 -5.463 11.922 1.00 0.00 C ATOM 688 CG ARG A 46 -6.062 -6.318 12.118 1.00 0.00 C ATOM 689 CD ARG A 46 -7.374 -5.546 11.904 1.00 0.00 C ATOM 690 NE ARG A 46 -8.559 -6.398 12.101 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.132 -6.762 13.239 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.665 -6.406 14.418 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.212 -7.507 13.181 1.00 0.00 N ATOM 0 H ARG A 46 -4.952 -6.237 9.465 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.462 -3.715 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.932 -6.132 11.863 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.651 -4.845 12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.031 -7.160 11.427 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.057 -6.733 13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.415 -4.704 12.595 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.390 -5.132 10.896 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.995 -6.754 11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.828 -5.826 14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.140 -6.710 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.588 -7.790 12.276 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.675 -7.802 14.041 1.00 0.00 H new ATOM 707 N THR A 47 -2.685 -4.350 9.392 1.00 0.00 N ATOM 708 CA THR A 47 -1.363 -3.841 8.994 1.00 0.00 C ATOM 709 C THR A 47 -1.486 -2.752 7.943 1.00 0.00 C ATOM 710 O THR A 47 -1.004 -1.644 8.150 1.00 0.00 O ATOM 711 CB THR A 47 -0.457 -4.986 8.525 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.344 -5.905 9.590 1.00 0.00 O ATOM 713 CG2 THR A 47 0.944 -4.477 8.178 1.00 0.00 C ATOM 0 H THR A 47 -3.043 -5.058 8.751 1.00 0.00 H new ATOM 0 HA THR A 47 -0.896 -3.390 9.869 1.00 0.00 H new ATOM 0 HB THR A 47 -0.889 -5.443 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.230 -6.651 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.563 -5.312 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.875 -3.739 7.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.393 -4.018 9.059 1.00 0.00 H new ATOM 721 N SER A 48 -2.177 -3.019 6.836 1.00 0.00 N ATOM 722 CA SER A 48 -2.338 -2.063 5.722 1.00 0.00 C ATOM 723 C SER A 48 -3.005 -0.747 6.143 1.00 0.00 C ATOM 724 O SER A 48 -2.657 0.321 5.635 1.00 0.00 O ATOM 725 CB SER A 48 -3.123 -2.704 4.570 1.00 0.00 C ATOM 726 OG SER A 48 -4.407 -3.164 4.969 1.00 0.00 O ATOM 0 H SER A 48 -2.648 -3.910 6.678 1.00 0.00 H new ATOM 0 HA SER A 48 -1.331 -1.814 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.236 -1.978 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.551 -3.540 4.167 1.00 0.00 H new ATOM 0 HG SER A 48 -4.308 -3.945 5.553 1.00 0.00 H new ATOM 732 N ARG A 49 -3.886 -0.797 7.149 1.00 0.00 N ATOM 733 CA ARG A 49 -4.518 0.383 7.742 1.00 0.00 C ATOM 734 C ARG A 49 -3.515 1.322 8.429 1.00 0.00 C ATOM 735 O ARG A 49 -3.795 2.511 8.538 1.00 0.00 O ATOM 736 CB ARG A 49 -5.650 -0.063 8.684 1.00 0.00 C ATOM 737 CG ARG A 49 -5.171 -0.736 9.987 1.00 0.00 C ATOM 738 CD ARG A 49 -4.936 0.223 11.162 1.00 0.00 C ATOM 739 NE ARG A 49 -6.190 0.795 11.681 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.278 1.775 12.573 1.00 0.00 C ATOM 741 NH1 ARG A 49 -5.211 2.334 13.106 1.00 0.00 N ATOM 742 NH2 ARG A 49 -7.462 2.212 12.947 1.00 0.00 N ATOM 0 H ARG A 49 -4.183 -1.673 7.579 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.947 0.979 6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.256 0.806 8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.299 -0.757 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.909 -1.480 10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.244 -1.271 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.423 -0.308 11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.277 1.030 10.842 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.064 0.406 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.280 2.016 12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.316 3.085 13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.306 1.798 12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.535 2.964 13.632 1.00 0.00 H new ATOM 756 N GLU A 50 -2.355 0.818 8.871 1.00 0.00 N ATOM 757 CA GLU A 50 -1.307 1.644 9.495 1.00 0.00 C ATOM 758 C GLU A 50 -0.487 2.367 8.416 1.00 0.00 C ATOM 759 O GLU A 50 -0.160 3.547 8.549 1.00 0.00 O ATOM 760 CB GLU A 50 -0.372 0.782 10.362 1.00 0.00 C ATOM 761 CG GLU A 50 -1.070 0.042 11.510 1.00 0.00 C ATOM 762 CD GLU A 50 -1.452 0.992 12.654 1.00 0.00 C ATOM 763 OE1 GLU A 50 -2.563 1.567 12.620 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.646 1.161 13.599 1.00 0.00 O ATOM 0 H GLU A 50 -2.115 -0.171 8.807 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.794 2.381 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.123 0.051 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.407 1.420 10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.966 -0.451 11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.413 -0.740 11.891 1.00 0.00 H new ATOM 771 N LEU A 51 -0.213 1.670 7.308 1.00 0.00 N ATOM 772 CA LEU A 51 0.478 2.199 6.132 1.00 0.00 C ATOM 773 C LEU A 51 -0.352 3.305 5.460 1.00 0.00 C ATOM 774 O LEU A 51 0.173 4.372 5.141 1.00 0.00 O ATOM 775 CB LEU A 51 0.755 1.037 5.157 1.00 0.00 C ATOM 776 CG LEU A 51 1.387 -0.230 5.769 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.551 -1.301 4.685 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.727 0.073 6.440 1.00 0.00 C ATOM 0 H LEU A 51 -0.476 0.690 7.204 1.00 0.00 H new ATOM 0 HA LEU A 51 1.424 2.649 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.185 0.756 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.413 1.401 4.368 1.00 0.00 H new ATOM 0 HG LEU A 51 0.718 -0.604 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.998 -2.195 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.575 -1.550 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.197 -0.922 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.140 -0.845 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.419 0.479 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.578 0.801 7.238 1.00 0.00 H new ATOM 790 N GLU A 52 -1.660 3.071 5.326 1.00 0.00 N ATOM 791 CA GLU A 52 -2.643 4.040 4.828 1.00 0.00 C ATOM 792 C GLU A 52 -2.744 5.304 5.713 1.00 0.00 C ATOM 793 O GLU A 52 -3.055 6.387 5.218 1.00 0.00 O ATOM 794 CB GLU A 52 -4.011 3.336 4.739 1.00 0.00 C ATOM 795 CG GLU A 52 -5.093 4.113 3.974 1.00 0.00 C ATOM 796 CD GLU A 52 -4.886 4.161 2.452 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.923 3.562 1.917 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.701 4.814 1.763 1.00 0.00 O ATOM 0 H GLU A 52 -2.079 2.173 5.569 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.318 4.385 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.873 2.367 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.370 3.143 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.063 3.661 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.128 5.133 4.356 1.00 0.00 H new ATOM 805 N ASP A 53 -2.457 5.198 7.015 1.00 0.00 N ATOM 806 CA ASP A 53 -2.552 6.314 7.965 1.00 0.00 C ATOM 807 C ASP A 53 -1.298 7.189 7.960 1.00 0.00 C ATOM 808 O ASP A 53 -1.367 8.388 8.200 1.00 0.00 O ATOM 809 CB ASP A 53 -2.770 5.751 9.375 1.00 0.00 C ATOM 810 CG ASP A 53 -3.383 6.775 10.346 1.00 0.00 C ATOM 811 OD1 ASP A 53 -4.443 7.361 10.022 1.00 0.00 O ATOM 812 OD2 ASP A 53 -2.829 6.950 11.456 1.00 0.00 O ATOM 0 H ASP A 53 -2.149 4.326 7.444 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.391 6.940 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.423 4.880 9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.816 5.407 9.774 1.00 0.00 H new ATOM 817 N ALA A 54 -0.149 6.586 7.669 1.00 0.00 N ATOM 818 CA ALA A 54 1.165 7.232 7.708 1.00 0.00 C ATOM 819 C ALA A 54 1.328 8.378 6.696 1.00 0.00 C ATOM 820 O ALA A 54 1.734 9.475 7.086 1.00 0.00 O ATOM 821 CB ALA A 54 2.224 6.145 7.537 1.00 0.00 C ATOM 0 H ALA A 54 -0.102 5.606 7.391 1.00 0.00 H new ATOM 0 HA ALA A 54 1.283 7.725 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.216 6.596 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.135 5.420 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.078 5.642 6.581 1.00 0.00 H new ATOM 827 N PHE A 55 0.957 8.175 5.426 1.00 0.00 N ATOM 828 CA PHE A 55 0.997 9.257 4.428 1.00 0.00 C ATOM 829 C PHE A 55 -0.056 10.338 4.726 1.00 0.00 C ATOM 830 O PHE A 55 0.111 11.501 4.365 1.00 0.00 O ATOM 831 CB PHE A 55 0.872 8.693 3.002 1.00 0.00 C ATOM 832 CG PHE A 55 -0.532 8.417 2.503 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.289 9.451 1.919 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.063 7.117 2.577 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.571 9.184 1.404 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.336 6.850 2.046 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.093 7.881 1.462 1.00 0.00 C ATOM 0 H PHE A 55 0.628 7.280 5.065 1.00 0.00 H new ATOM 0 HA PHE A 55 1.969 9.746 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.346 9.394 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.440 7.764 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.885 10.451 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.493 6.325 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.153 9.980 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.735 5.847 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.073 7.672 1.059 1.00 0.00 H new ATOM 847 N SER A 56 -1.114 9.949 5.435 1.00 0.00 N ATOM 848 CA SER A 56 -2.200 10.833 5.881 1.00 0.00 C ATOM 849 C SER A 56 -1.811 11.673 7.118 1.00 0.00 C ATOM 850 O SER A 56 -2.254 12.814 7.265 1.00 0.00 O ATOM 851 CB SER A 56 -3.448 9.979 6.149 1.00 0.00 C ATOM 852 OG SER A 56 -4.630 10.769 6.133 1.00 0.00 O ATOM 0 H SER A 56 -1.247 8.981 5.726 1.00 0.00 H new ATOM 0 HA SER A 56 -2.409 11.555 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.523 9.195 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.352 9.485 7.116 1.00 0.00 H new ATOM 0 HG SER A 56 -5.408 10.198 6.305 1.00 0.00 H new ATOM 858 N LYS A 57 -0.917 11.162 7.977 1.00 0.00 N ATOM 859 CA LYS A 57 -0.285 11.912 9.073 1.00 0.00 C ATOM 860 C LYS A 57 0.766 12.898 8.540 1.00 0.00 C ATOM 861 O LYS A 57 0.846 14.039 9.003 1.00 0.00 O ATOM 862 CB LYS A 57 0.392 10.926 10.035 1.00 0.00 C ATOM 863 CG LYS A 57 -0.586 10.169 10.947 1.00 0.00 C ATOM 864 CD LYS A 57 0.017 8.829 11.399 1.00 0.00 C ATOM 865 CE LYS A 57 1.418 8.943 12.023 1.00 0.00 C ATOM 866 NZ LYS A 57 1.354 9.259 13.477 1.00 0.00 N ATOM 0 H LYS A 57 -0.606 10.192 7.928 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.058 12.480 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.964 10.203 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.103 11.471 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.824 10.779 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.522 9.992 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.654 8.368 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.068 8.159 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.957 8.007 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.983 9.719 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.318 9.327 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.862 10.165 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.837 8.506 13.974 1.00 0.00 H new ATOM 880 N GLY A 58 1.572 12.446 7.568 1.00 0.00 N ATOM 881 CA GLY A 58 2.593 13.234 6.875 1.00 0.00 C ATOM 882 C GLY A 58 3.987 12.619 6.910 1.00 0.00 C ATOM 883 O GLY A 58 4.867 13.119 6.210 1.00 0.00 O ATOM 0 H GLY A 58 1.526 11.484 7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.292 13.365 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.635 14.227 7.322 1.00 0.00 H new ATOM 887 N LYS A 59 4.207 11.538 7.672 1.00 0.00 N ATOM 888 CA LYS A 59 5.501 10.853 7.710 1.00 0.00 C ATOM 889 C LYS A 59 5.889 10.233 6.353 1.00 0.00 C ATOM 890 O LYS A 59 5.047 9.916 5.510 1.00 0.00 O ATOM 891 CB LYS A 59 5.563 9.833 8.869 1.00 0.00 C ATOM 892 CG LYS A 59 4.329 8.926 8.978 1.00 0.00 C ATOM 893 CD LYS A 59 4.589 7.671 9.823 1.00 0.00 C ATOM 894 CE LYS A 59 5.110 7.957 11.240 1.00 0.00 C ATOM 895 NZ LYS A 59 5.440 6.697 11.960 1.00 0.00 N ATOM 0 H LYS A 59 3.498 11.119 8.273 1.00 0.00 H new ATOM 0 HA LYS A 59 6.257 11.613 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.448 9.209 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.686 10.374 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.506 9.490 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.013 8.627 7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.664 7.100 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.311 7.041 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.997 8.589 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.358 8.513 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.004 6.712 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.075 5.885 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.472 6.613 12.057 1.00 0.00 H new ATOM 909 N LYS A 60 7.197 10.049 6.160 1.00 0.00 N ATOM 910 CA LYS A 60 7.810 9.550 4.915 1.00 0.00 C ATOM 911 C LYS A 60 8.205 8.062 4.982 1.00 0.00 C ATOM 912 O LYS A 60 8.681 7.488 4.005 1.00 0.00 O ATOM 913 CB LYS A 60 8.970 10.491 4.534 1.00 0.00 C ATOM 914 CG LYS A 60 10.287 10.282 5.296 1.00 0.00 C ATOM 915 CD LYS A 60 11.294 11.389 4.946 1.00 0.00 C ATOM 916 CE LYS A 60 12.683 11.177 5.568 1.00 0.00 C ATOM 917 NZ LYS A 60 13.379 9.980 5.023 1.00 0.00 N ATOM 0 H LYS A 60 7.885 10.248 6.886 1.00 0.00 H new ATOM 0 HA LYS A 60 7.070 9.571 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.168 10.377 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.643 11.519 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.097 10.282 6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.707 9.308 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.396 11.447 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.898 12.348 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.295 12.061 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.581 11.073 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.408 10.115 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.102 9.139 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.114 9.849 4.026 1.00 0.00 H new ATOM 931 N ASN A 61 7.990 7.435 6.142 1.00 0.00 N ATOM 932 CA ASN A 61 8.222 6.016 6.432 1.00 0.00 C ATOM 933 C ASN A 61 7.598 5.655 7.786 1.00 0.00 C ATOM 934 O ASN A 61 7.651 6.453 8.728 1.00 0.00 O ATOM 935 CB ASN A 61 9.715 5.628 6.395 1.00 0.00 C ATOM 936 CG ASN A 61 10.544 6.280 7.493 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.957 5.655 8.460 1.00 0.00 O ATOM 938 ND2 ASN A 61 10.791 7.567 7.353 1.00 0.00 N ATOM 0 H ASN A 61 7.627 7.935 6.954 1.00 0.00 H new ATOM 0 HA ASN A 61 7.740 5.441 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.802 4.545 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 61 10.129 5.905 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.336 8.061 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.437 8.069 6.539 1.00 0.00 H new ATOM 945 N THR A 62 7.006 4.467 7.875 1.00 0.00 N ATOM 946 CA THR A 62 6.372 3.929 9.093 1.00 0.00 C ATOM 947 C THR A 62 6.843 2.509 9.399 1.00 0.00 C ATOM 948 O THR A 62 7.703 1.981 8.704 1.00 0.00 O ATOM 949 CB THR A 62 4.850 4.086 9.004 1.00 0.00 C ATOM 950 OG1 THR A 62 4.348 4.062 10.321 1.00 0.00 O ATOM 951 CG2 THR A 62 4.161 3.015 8.150 1.00 0.00 C ATOM 0 H THR A 62 6.948 3.827 7.083 1.00 0.00 H new ATOM 0 HA THR A 62 6.693 4.513 9.956 1.00 0.00 H new ATOM 0 HB THR A 62 4.634 5.029 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.373 4.162 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.086 3.196 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.548 3.057 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.358 2.030 8.573 1.00 0.00 H new ATOM 959 N GLU A 63 6.313 1.902 10.456 1.00 0.00 N ATOM 960 CA GLU A 63 6.750 0.623 11.012 1.00 0.00 C ATOM 961 C GLU A 63 5.574 -0.340 11.203 1.00 0.00 C ATOM 962 O GLU A 63 4.456 0.067 11.536 1.00 0.00 O ATOM 963 CB GLU A 63 7.447 0.876 12.354 1.00 0.00 C ATOM 964 CG GLU A 63 8.825 1.507 12.141 1.00 0.00 C ATOM 965 CD GLU A 63 9.537 1.783 13.469 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.139 2.730 14.189 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.513 1.069 13.788 1.00 0.00 O ATOM 0 H GLU A 63 5.532 2.305 10.973 1.00 0.00 H new ATOM 0 HA GLU A 63 7.443 0.157 10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.833 1.533 12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.552 -0.063 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.438 0.843 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.716 2.439 11.587 1.00 0.00 H new ATOM 974 N MET A 64 5.847 -1.630 11.009 1.00 0.00 N ATOM 975 CA MET A 64 4.857 -2.715 11.029 1.00 0.00 C ATOM 976 C MET A 64 5.470 -4.050 11.468 1.00 0.00 C ATOM 977 O MET A 64 6.640 -4.336 11.202 1.00 0.00 O ATOM 978 CB MET A 64 4.182 -2.854 9.652 1.00 0.00 C ATOM 979 CG MET A 64 5.198 -2.960 8.510 1.00 0.00 C ATOM 980 SD MET A 64 4.512 -3.405 6.900 1.00 0.00 S ATOM 981 CE MET A 64 6.078 -3.781 6.074 1.00 0.00 C ATOM 0 H MET A 64 6.794 -1.963 10.827 1.00 0.00 H new ATOM 0 HA MET A 64 4.101 -2.450 11.768 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.545 -3.738 9.651 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.534 -1.994 9.480 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.713 -2.004 8.415 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.950 -3.701 8.783 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.019 -3.481 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.887 -3.237 6.562 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.273 -4.852 6.134 1.00 0.00 H new ATOM 991 N LEU A 65 4.656 -4.872 12.130 1.00 0.00 N ATOM 992 CA LEU A 65 5.002 -6.203 12.624 1.00 0.00 C ATOM 993 C LEU A 65 4.394 -7.275 11.714 1.00 0.00 C ATOM 994 O LEU A 65 3.269 -7.140 11.229 1.00 0.00 O ATOM 995 CB LEU A 65 4.498 -6.343 14.078 1.00 0.00 C ATOM 996 CG LEU A 65 5.471 -6.995 15.078 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.874 -8.431 14.734 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.711 -6.116 15.263 1.00 0.00 C ATOM 0 H LEU A 65 3.693 -4.615 12.346 1.00 0.00 H new ATOM 0 HA LEU A 65 6.083 -6.339 12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.241 -5.350 14.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.578 -6.927 14.066 1.00 0.00 H new ATOM 0 HG LEU A 65 4.921 -7.069 16.016 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.560 -8.808 15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.985 -9.061 14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.364 -8.448 13.761 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.390 -6.589 15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.216 -5.993 14.305 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.411 -5.140 15.644 1.00 0.00 H new ATOM 1010 N ILE A 66 5.147 -8.351 11.509 1.00 0.00 N ATOM 1011 CA ILE A 66 4.769 -9.502 10.664 1.00 0.00 C ATOM 1012 C ILE A 66 4.760 -10.822 11.462 1.00 0.00 C ATOM 1013 O ILE A 66 4.570 -10.814 12.678 1.00 0.00 O ATOM 1014 CB ILE A 66 5.628 -9.521 9.382 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.114 -9.826 9.682 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.446 -8.203 8.604 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.608 -11.083 8.961 1.00 0.00 C ATOM 0 H ILE A 66 6.067 -8.459 11.935 1.00 0.00 H new ATOM 0 HA ILE A 66 3.737 -9.388 10.333 1.00 0.00 H new ATOM 0 HB ILE A 66 5.279 -10.337 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.725 -8.974 9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.247 -9.951 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.056 -8.226 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.398 -8.084 8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.755 -7.366 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.657 -11.254 9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.017 -11.941 9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.502 -10.950 7.884 1.00 0.00 H new ATOM 1029 N ALA A 67 4.984 -11.965 10.806 1.00 0.00 N ATOM 1030 CA ALA A 67 5.046 -13.295 11.422 1.00 0.00 C ATOM 1031 C ALA A 67 6.133 -13.480 12.510 1.00 0.00 C ATOM 1032 O ALA A 67 6.064 -14.443 13.278 1.00 0.00 O ATOM 1033 CB ALA A 67 5.275 -14.299 10.285 1.00 0.00 C ATOM 0 H ALA A 67 5.132 -11.991 9.797 1.00 0.00 H new ATOM 0 HA ALA A 67 4.107 -13.449 11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.328 -15.307 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.450 -14.239 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.210 -14.065 9.775 1.00 0.00 H new ATOM 1039 N GLY A 68 7.121 -12.577 12.591 1.00 0.00 N ATOM 1040 CA GLY A 68 8.203 -12.639 13.587 1.00 0.00 C ATOM 1041 C GLY A 68 9.248 -11.517 13.540 1.00 0.00 C ATOM 1042 O GLY A 68 10.317 -11.675 14.131 1.00 0.00 O ATOM 0 H GLY A 68 7.193 -11.777 11.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.752 -12.643 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.720 -13.591 13.468 1.00 0.00 H new ATOM 1046 N PHE A 69 8.972 -10.406 12.840 1.00 0.00 N ATOM 1047 CA PHE A 69 9.945 -9.350 12.526 1.00 0.00 C ATOM 1048 C PHE A 69 9.278 -7.969 12.405 1.00 0.00 C ATOM 1049 O PHE A 69 8.104 -7.863 12.038 1.00 0.00 O ATOM 1050 CB PHE A 69 10.676 -9.677 11.209 1.00 0.00 C ATOM 1051 CG PHE A 69 11.527 -10.935 11.212 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.872 -10.869 11.629 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.990 -12.167 10.787 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.672 -12.027 11.623 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.790 -13.324 10.783 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.130 -13.254 11.200 1.00 0.00 C ATOM 0 H PHE A 69 8.042 -10.213 12.468 1.00 0.00 H new ATOM 0 HA PHE A 69 10.657 -9.312 13.350 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.932 -9.768 10.417 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.314 -8.832 10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.290 -9.927 11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.961 -12.223 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.702 -11.973 11.943 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.374 -14.267 10.459 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.744 -14.143 11.196 1.00 0.00 H new ATOM 1066 N LEU A 70 10.051 -6.912 12.672 1.00 0.00 N ATOM 1067 CA LEU A 70 9.677 -5.521 12.404 1.00 0.00 C ATOM 1068 C LEU A 70 10.226 -5.138 11.024 1.00 0.00 C ATOM 1069 O LEU A 70 11.431 -5.212 10.776 1.00 0.00 O ATOM 1070 CB LEU A 70 10.250 -4.625 13.523 1.00 0.00 C ATOM 1071 CG LEU A 70 9.702 -3.185 13.671 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.744 -2.348 12.388 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.277 -3.158 14.233 1.00 0.00 C ATOM 0 H LEU A 70 10.977 -7.003 13.091 1.00 0.00 H new ATOM 0 HA LEU A 70 8.595 -5.390 12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.093 -5.138 14.472 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.327 -4.556 13.373 1.00 0.00 H new ATOM 0 HG LEU A 70 10.390 -2.725 14.381 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.340 -1.355 12.588 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.775 -2.258 12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.146 -2.834 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.939 -2.125 14.318 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.612 -3.704 13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.265 -3.625 15.218 1.00 0.00 H new ATOM 1085 N TYR A 71 9.340 -4.677 10.147 1.00 0.00 N ATOM 1086 CA TYR A 71 9.682 -4.078 8.853 1.00 0.00 C ATOM 1087 C TYR A 71 9.305 -2.588 8.809 1.00 0.00 C ATOM 1088 O TYR A 71 8.197 -2.191 9.173 1.00 0.00 O ATOM 1089 CB TYR A 71 9.046 -4.881 7.704 1.00 0.00 C ATOM 1090 CG TYR A 71 9.534 -6.316 7.537 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.894 -6.650 7.693 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.616 -7.334 7.214 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.323 -7.984 7.581 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.029 -8.672 7.120 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.391 -9.006 7.307 1.00 0.00 C ATOM 1096 OH TYR A 71 10.824 -10.294 7.232 1.00 0.00 O ATOM 0 H TYR A 71 8.335 -4.709 10.318 1.00 0.00 H new ATOM 0 HA TYR A 71 10.763 -4.125 8.723 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.967 -4.901 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.226 -4.347 6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.615 -5.873 7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.581 -7.082 7.036 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.368 -8.226 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.307 -9.446 6.905 1.00 0.00 H new ATOM 0 HH TYR A 71 10.065 -10.883 7.038 1.00 0.00 H new ATOM 1106 N VAL A 72 10.250 -1.764 8.357 1.00 0.00 N ATOM 1107 CA VAL A 72 10.085 -0.332 8.093 1.00 0.00 C ATOM 1108 C VAL A 72 9.535 -0.200 6.672 1.00 0.00 C ATOM 1109 O VAL A 72 10.199 -0.596 5.717 1.00 0.00 O ATOM 1110 CB VAL A 72 11.416 0.445 8.230 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.197 1.964 8.117 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.126 0.148 9.561 1.00 0.00 C ATOM 0 H VAL A 72 11.195 -2.090 8.155 1.00 0.00 H new ATOM 0 HA VAL A 72 9.404 0.100 8.826 1.00 0.00 H new ATOM 0 HB VAL A 72 12.047 0.105 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.153 2.478 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.760 2.197 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.523 2.294 8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.055 0.716 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.479 0.435 10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.348 -0.917 9.625 1.00 0.00 H new ATOM 1122 N ALA A 73 8.321 0.328 6.539 1.00 0.00 N ATOM 1123 CA ALA A 73 7.679 0.628 5.264 1.00 0.00 C ATOM 1124 C ALA A 73 8.029 2.065 4.853 1.00 0.00 C ATOM 1125 O ALA A 73 7.580 3.029 5.473 1.00 0.00 O ATOM 1126 CB ALA A 73 6.170 0.403 5.416 1.00 0.00 C ATOM 0 H ALA A 73 7.739 0.566 7.342 1.00 0.00 H new ATOM 0 HA ALA A 73 8.035 -0.029 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.672 0.623 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.983 -0.635 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.780 1.061 6.193 1.00 0.00 H new ATOM 1132 N ASP A 74 8.849 2.211 3.816 1.00 0.00 N ATOM 1133 CA ASP A 74 9.295 3.488 3.266 1.00 0.00 C ATOM 1134 C ASP A 74 8.289 4.003 2.230 1.00 0.00 C ATOM 1135 O ASP A 74 8.100 3.395 1.172 1.00 0.00 O ATOM 1136 CB ASP A 74 10.696 3.313 2.669 1.00 0.00 C ATOM 1137 CG ASP A 74 11.258 4.639 2.147 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.886 5.375 2.940 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.055 4.936 0.948 1.00 0.00 O ATOM 0 H ASP A 74 9.237 1.411 3.316 1.00 0.00 H new ATOM 0 HA ASP A 74 9.350 4.237 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.366 2.906 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.657 2.589 1.856 1.00 0.00 H new ATOM 1144 N LEU A 75 7.648 5.133 2.548 1.00 0.00 N ATOM 1145 CA LEU A 75 6.614 5.770 1.728 1.00 0.00 C ATOM 1146 C LEU A 75 7.217 6.658 0.621 1.00 0.00 C ATOM 1147 O LEU A 75 6.523 6.950 -0.352 1.00 0.00 O ATOM 1148 CB LEU A 75 5.655 6.581 2.633 1.00 0.00 C ATOM 1149 CG LEU A 75 4.548 5.811 3.390 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.013 4.666 4.295 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.749 6.807 4.246 1.00 0.00 C ATOM 0 H LEU A 75 7.841 5.644 3.409 1.00 0.00 H new ATOM 0 HA LEU A 75 6.050 4.985 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.259 7.109 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.172 7.338 2.015 1.00 0.00 H new ATOM 0 HG LEU A 75 3.954 5.338 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.148 4.204 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.540 3.922 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.682 5.057 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.965 6.276 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.416 7.291 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.299 7.562 3.601 1.00 0.00 H new ATOM 1163 N GLU A 76 8.491 7.059 0.731 1.00 0.00 N ATOM 1164 CA GLU A 76 9.185 7.864 -0.288 1.00 0.00 C ATOM 1165 C GLU A 76 9.370 7.092 -1.605 1.00 0.00 C ATOM 1166 O GLU A 76 9.008 7.570 -2.681 1.00 0.00 O ATOM 1167 CB GLU A 76 10.585 8.292 0.189 1.00 0.00 C ATOM 1168 CG GLU A 76 10.606 9.211 1.404 1.00 0.00 C ATOM 1169 CD GLU A 76 11.955 9.937 1.523 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.162 10.950 0.814 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.803 9.519 2.344 1.00 0.00 O ATOM 0 H GLU A 76 9.075 6.833 1.536 1.00 0.00 H new ATOM 0 HA GLU A 76 8.553 8.737 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.161 7.396 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.094 8.794 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.801 9.942 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.421 8.630 2.307 1.00 0.00 H new ATOM 1178 N ASN A 77 9.954 5.895 -1.506 1.00 0.00 N ATOM 1179 CA ASN A 77 10.345 5.036 -2.627 1.00 0.00 C ATOM 1180 C ASN A 77 9.342 3.887 -2.851 1.00 0.00 C ATOM 1181 O ASN A 77 9.446 3.150 -3.834 1.00 0.00 O ATOM 1182 CB ASN A 77 11.753 4.480 -2.345 1.00 0.00 C ATOM 1183 CG ASN A 77 12.812 5.568 -2.171 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.525 5.916 -3.106 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.961 6.127 -0.981 1.00 0.00 N ATOM 0 H ASN A 77 10.177 5.479 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 77 10.349 5.629 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.720 3.868 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.048 3.825 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.669 6.848 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.368 5.837 -0.204 1.00 0.00 H new ATOM 1192 N MET A 78 8.392 3.718 -1.920 1.00 0.00 N ATOM 1193 CA MET A 78 7.420 2.615 -1.852 1.00 0.00 C ATOM 1194 C MET A 78 8.141 1.255 -1.812 1.00 0.00 C ATOM 1195 O MET A 78 8.024 0.433 -2.727 1.00 0.00 O ATOM 1196 CB MET A 78 6.361 2.728 -2.966 1.00 0.00 C ATOM 1197 CG MET A 78 5.572 4.049 -2.943 1.00 0.00 C ATOM 1198 SD MET A 78 3.797 3.877 -2.617 1.00 0.00 S ATOM 1199 CE MET A 78 3.865 3.516 -0.847 1.00 0.00 C ATOM 0 H MET A 78 8.274 4.381 -1.154 1.00 0.00 H new ATOM 0 HA MET A 78 6.865 2.691 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.853 2.627 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.662 1.897 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.004 4.699 -2.183 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.703 4.549 -3.902 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.996 3.951 -0.353 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.866 2.437 -0.696 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.774 3.943 -0.423 1.00 0.00 H new ATOM 1209 N VAL A 79 8.883 1.018 -0.726 1.00 0.00 N ATOM 1210 CA VAL A 79 9.597 -0.244 -0.422 1.00 0.00 C ATOM 1211 C VAL A 79 9.449 -0.601 1.065 1.00 0.00 C ATOM 1212 O VAL A 79 8.954 0.208 1.844 1.00 0.00 O ATOM 1213 CB VAL A 79 11.101 -0.202 -0.807 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.323 -0.079 -2.320 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.876 0.903 -0.071 1.00 0.00 C ATOM 0 H VAL A 79 9.013 1.723 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 79 9.132 -1.015 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 79 11.499 -1.164 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.392 -0.054 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.874 -0.935 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.861 0.839 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.921 0.883 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.444 1.874 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.813 0.737 1.004 1.00 0.00 H new ATOM 1225 N GLN A 80 9.904 -1.786 1.481 1.00 0.00 N ATOM 1226 CA GLN A 80 9.914 -2.209 2.886 1.00 0.00 C ATOM 1227 C GLN A 80 11.148 -3.057 3.220 1.00 0.00 C ATOM 1228 O GLN A 80 11.557 -3.892 2.415 1.00 0.00 O ATOM 1229 CB GLN A 80 8.597 -2.932 3.224 1.00 0.00 C ATOM 1230 CG GLN A 80 8.432 -4.303 2.536 1.00 0.00 C ATOM 1231 CD GLN A 80 8.691 -5.476 3.482 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.785 -5.988 4.118 1.00 0.00 O ATOM 1233 NE2 GLN A 80 9.915 -5.942 3.614 1.00 0.00 N ATOM 0 H GLN A 80 10.281 -2.488 0.844 1.00 0.00 H new ATOM 0 HA GLN A 80 9.984 -1.322 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.539 -3.071 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.761 -2.293 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.422 -4.383 2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.118 -4.365 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.680 -5.521 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.098 -6.724 4.243 1.00 0.00 H new ATOM 1242 N TYR A 81 11.722 -2.862 4.411 1.00 0.00 N ATOM 1243 CA TYR A 81 12.974 -3.492 4.870 1.00 0.00 C ATOM 1244 C TYR A 81 13.060 -3.666 6.394 1.00 0.00 C ATOM 1245 O TYR A 81 12.378 -2.970 7.147 1.00 0.00 O ATOM 1246 CB TYR A 81 14.174 -2.675 4.365 1.00 0.00 C ATOM 1247 CG TYR A 81 14.086 -1.165 4.515 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.301 -0.548 5.764 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.832 -0.369 3.382 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.290 0.856 5.869 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.835 1.033 3.474 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.063 1.653 4.724 1.00 0.00 C ATOM 1253 OH TYR A 81 14.064 3.012 4.835 1.00 0.00 O ATOM 0 H TYR A 81 11.317 -2.240 5.110 1.00 0.00 H new ATOM 0 HA TYR A 81 12.989 -4.498 4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.064 -3.018 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.321 -2.904 3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.474 -1.153 6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.633 -0.841 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.456 1.325 6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.664 1.635 2.594 1.00 0.00 H new ATOM 0 HH TYR A 81 13.894 3.412 3.957 1.00 0.00 H new ATOM 1263 N ARG A 82 13.932 -4.562 6.871 1.00 0.00 N ATOM 1264 CA ARG A 82 14.227 -4.740 8.305 1.00 0.00 C ATOM 1265 C ARG A 82 15.038 -3.554 8.859 1.00 0.00 C ATOM 1266 O ARG A 82 15.934 -3.048 8.182 1.00 0.00 O ATOM 1267 CB ARG A 82 14.951 -6.085 8.498 1.00 0.00 C ATOM 1268 CG ARG A 82 15.091 -6.483 9.977 1.00 0.00 C ATOM 1269 CD ARG A 82 15.747 -7.859 10.128 1.00 0.00 C ATOM 1270 NE ARG A 82 15.973 -8.182 11.548 1.00 0.00 N ATOM 1271 CZ ARG A 82 16.765 -9.139 12.025 1.00 0.00 C ATOM 1272 NH1 ARG A 82 17.436 -9.951 11.236 1.00 0.00 N ATOM 1273 NH2 ARG A 82 16.893 -9.289 13.325 1.00 0.00 N ATOM 0 H ARG A 82 14.461 -5.193 6.269 1.00 0.00 H new ATOM 0 HA ARG A 82 13.297 -4.760 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.405 -6.865 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.942 -6.026 8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.686 -5.735 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.107 -6.494 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.112 -8.620 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.696 -7.874 9.592 1.00 0.00 H new ATOM 0 HE ARG A 82 15.473 -7.616 12.233 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.358 -9.858 10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.034 -10.673 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.387 -8.674 13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.499 -10.021 13.697 1.00 0.00 H new ATOM 1287 N ARG A 83 14.767 -3.145 10.107 1.00 0.00 N ATOM 1288 CA ARG A 83 15.445 -2.019 10.793 1.00 0.00 C ATOM 1289 C ARG A 83 16.985 -2.093 10.788 1.00 0.00 C ATOM 1290 O ARG A 83 17.645 -1.055 10.845 1.00 0.00 O ATOM 1291 CB ARG A 83 14.970 -1.925 12.256 1.00 0.00 C ATOM 1292 CG ARG A 83 13.562 -1.325 12.409 1.00 0.00 C ATOM 1293 CD ARG A 83 13.075 -1.350 13.868 1.00 0.00 C ATOM 1294 NE ARG A 83 14.011 -0.680 14.793 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.993 0.588 15.191 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.036 1.430 14.867 1.00 0.00 N ATOM 1297 NH2 ARG A 83 14.971 1.038 15.950 1.00 0.00 N ATOM 0 H ARG A 83 14.056 -3.593 10.686 1.00 0.00 H new ATOM 0 HA ARG A 83 15.168 -1.134 10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.981 -2.921 12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.678 -1.318 12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.566 -0.297 12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.862 -1.881 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.101 -0.866 13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.937 -2.384 14.183 1.00 0.00 H new ATOM 0 HE ARG A 83 14.760 -1.259 15.172 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.259 1.119 14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.070 2.394 15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.730 0.415 16.226 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.969 2.009 16.262 1.00 0.00 H new ATOM 1311 N ASN A 84 17.566 -3.296 10.709 1.00 0.00 N ATOM 1312 CA ASN A 84 19.020 -3.500 10.745 1.00 0.00 C ATOM 1313 C ASN A 84 19.765 -2.916 9.525 1.00 0.00 C ATOM 1314 O ASN A 84 20.918 -2.502 9.663 1.00 0.00 O ATOM 1315 CB ASN A 84 19.311 -5.004 10.889 1.00 0.00 C ATOM 1316 CG ASN A 84 20.762 -5.258 11.297 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.173 -4.932 12.405 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.580 -5.839 10.440 1.00 0.00 N ATOM 0 H ASN A 84 17.036 -4.163 10.618 1.00 0.00 H new ATOM 0 HA ASN A 84 19.400 -2.950 11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.642 -5.435 11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.104 -5.508 9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.550 -6.015 10.700 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.242 -6.112 9.517 1.00 0.00 H new ATOM 1325 N GLU A 85 19.128 -2.876 8.345 1.00 0.00 N ATOM 1326 CA GLU A 85 19.765 -2.495 7.076 1.00 0.00 C ATOM 1327 C GLU A 85 18.734 -2.214 5.967 1.00 0.00 C ATOM 1328 O GLU A 85 17.921 -3.065 5.608 1.00 0.00 O ATOM 1329 CB GLU A 85 20.796 -3.560 6.646 1.00 0.00 C ATOM 1330 CG GLU A 85 20.204 -4.955 6.390 1.00 0.00 C ATOM 1331 CD GLU A 85 21.257 -6.053 6.578 1.00 0.00 C ATOM 1332 OE1 GLU A 85 22.024 -6.340 5.630 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.315 -6.629 7.691 1.00 0.00 O ATOM 0 H GLU A 85 18.141 -3.111 8.244 1.00 0.00 H new ATOM 0 HA GLU A 85 20.296 -1.558 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.295 -3.219 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.560 -3.640 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.370 -5.128 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.804 -5.002 5.377 1.00 0.00 H new ATOM 1340 N HIS A 86 18.797 -1.018 5.377 1.00 0.00 N ATOM 1341 CA HIS A 86 17.892 -0.585 4.297 1.00 0.00 C ATOM 1342 C HIS A 86 18.091 -1.328 2.959 1.00 0.00 C ATOM 1343 O HIS A 86 17.234 -1.272 2.075 1.00 0.00 O ATOM 1344 CB HIS A 86 18.052 0.927 4.104 1.00 0.00 C ATOM 1345 CG HIS A 86 19.411 1.343 3.602 1.00 0.00 C ATOM 1346 ND1 HIS A 86 19.834 1.300 2.271 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.441 1.783 4.382 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.109 1.721 2.284 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.502 2.020 3.536 1.00 0.00 N ATOM 0 H HIS A 86 19.485 -0.310 5.635 1.00 0.00 H new ATOM 0 HA HIS A 86 16.878 -0.838 4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.295 1.275 3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.859 1.426 5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.427 1.919 5.453 1.00 0.00 H new ATOM 0 HE1 HIS A 86 21.735 1.808 1.408 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.423 2.362 3.810 1.00 0.00 H new ATOM 1357 N GLY A 87 19.224 -2.021 2.804 1.00 0.00 N ATOM 1358 CA GLY A 87 19.599 -2.789 1.606 1.00 0.00 C ATOM 1359 C GLY A 87 18.820 -4.098 1.437 1.00 0.00 C ATOM 1360 O GLY A 87 18.680 -4.579 0.313 1.00 0.00 O ATOM 0 H GLY A 87 19.934 -2.066 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.441 -2.168 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.664 -3.015 1.650 1.00 0.00 H new ATOM 1364 N ARG A 88 18.259 -4.648 2.524 1.00 0.00 N ATOM 1365 CA ARG A 88 17.393 -5.839 2.517 1.00 0.00 C ATOM 1366 C ARG A 88 15.929 -5.433 2.287 1.00 0.00 C ATOM 1367 O ARG A 88 15.079 -5.605 3.166 1.00 0.00 O ATOM 1368 CB ARG A 88 17.594 -6.642 3.818 1.00 0.00 C ATOM 1369 CG ARG A 88 18.972 -7.315 3.916 1.00 0.00 C ATOM 1370 CD ARG A 88 19.124 -8.503 2.960 1.00 0.00 C ATOM 1371 NE ARG A 88 20.429 -9.156 3.154 1.00 0.00 N ATOM 1372 CZ ARG A 88 20.729 -10.427 2.908 1.00 0.00 C ATOM 1373 NH1 ARG A 88 19.843 -11.306 2.488 1.00 0.00 N ATOM 1374 NH2 ARG A 88 21.966 -10.839 3.092 1.00 0.00 N ATOM 0 H ARG A 88 18.399 -4.266 3.460 1.00 0.00 H new ATOM 0 HA ARG A 88 17.670 -6.493 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.462 -5.976 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.820 -7.406 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.746 -6.579 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.133 -7.655 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.322 -9.221 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.031 -8.162 1.929 1.00 0.00 H new ATOM 0 HE ARG A 88 21.182 -8.571 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.875 -11.022 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 88 20.125 -12.271 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 88 22.678 -10.186 3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 88 22.212 -11.811 2.908 1.00 0.00 H new ATOM 1388 N ARG A 89 15.657 -4.844 1.115 1.00 0.00 N ATOM 1389 CA ARG A 89 14.371 -4.224 0.762 1.00 0.00 C ATOM 1390 C ARG A 89 13.601 -4.948 -0.348 1.00 0.00 C ATOM 1391 O ARG A 89 14.190 -5.544 -1.252 1.00 0.00 O ATOM 1392 CB ARG A 89 14.545 -2.724 0.464 1.00 0.00 C ATOM 1393 CG ARG A 89 15.468 -2.368 -0.708 1.00 0.00 C ATOM 1394 CD ARG A 89 15.540 -0.845 -0.864 1.00 0.00 C ATOM 1395 NE ARG A 89 16.599 -0.439 -1.806 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.790 0.062 -1.493 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.199 0.169 -0.247 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.598 0.469 -2.448 1.00 0.00 N ATOM 0 H ARG A 89 16.345 -4.783 0.364 1.00 0.00 H new ATOM 0 HA ARG A 89 13.740 -4.329 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.561 -2.298 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.929 -2.239 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.465 -2.773 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.096 -2.820 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.579 -0.470 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.724 -0.389 0.109 1.00 0.00 H new ATOM 0 HE ARG A 89 16.397 -0.554 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.595 -0.138 0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.120 0.558 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.310 0.400 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.513 0.854 -2.213 1.00 0.00 H new ATOM 1412 N ARG A 90 12.268 -4.852 -0.269 1.00 0.00 N ATOM 1413 CA ARG A 90 11.282 -5.407 -1.211 1.00 0.00 C ATOM 1414 C ARG A 90 10.278 -4.323 -1.612 1.00 0.00 C ATOM 1415 O ARG A 90 9.907 -3.487 -0.789 1.00 0.00 O ATOM 1416 CB ARG A 90 10.547 -6.600 -0.571 1.00 0.00 C ATOM 1417 CG ARG A 90 11.500 -7.756 -0.227 1.00 0.00 C ATOM 1418 CD ARG A 90 10.754 -8.963 0.351 1.00 0.00 C ATOM 1419 NE ARG A 90 11.710 -10.021 0.698 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.440 -11.236 1.151 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.219 -11.670 1.385 1.00 0.00 N ATOM 1422 NH2 ARG A 90 12.442 -12.040 1.378 1.00 0.00 N ATOM 0 H ARG A 90 11.819 -4.355 0.500 1.00 0.00 H new ATOM 0 HA ARG A 90 11.803 -5.756 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.040 -6.268 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.777 -6.958 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.040 -8.059 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.243 -7.411 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.192 -8.664 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.032 -9.337 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 90 12.697 -9.794 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.420 -11.059 1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.073 -12.617 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.397 -11.726 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.270 -12.983 1.727 1.00 0.00 H new ATOM 1436 N LYS A 91 9.838 -4.320 -2.870 1.00 0.00 N ATOM 1437 CA LYS A 91 8.863 -3.356 -3.405 1.00 0.00 C ATOM 1438 C LYS A 91 7.466 -3.493 -2.774 1.00 0.00 C ATOM 1439 O LYS A 91 6.980 -4.608 -2.572 1.00 0.00 O ATOM 1440 CB LYS A 91 8.779 -3.543 -4.936 1.00 0.00 C ATOM 1441 CG LYS A 91 9.626 -2.568 -5.768 1.00 0.00 C ATOM 1442 CD LYS A 91 9.217 -1.089 -5.653 1.00 0.00 C ATOM 1443 CE LYS A 91 7.733 -0.838 -5.955 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.336 0.540 -5.578 1.00 0.00 N ATOM 0 H LYS A 91 10.152 -4.999 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 91 9.210 -2.354 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.085 -4.561 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.737 -3.443 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.668 -2.666 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.570 -2.864 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.439 -0.736 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.824 -0.498 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.543 -0.997 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.121 -1.558 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.321 0.671 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.528 0.692 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.881 1.224 -6.141 1.00 0.00 H new ATOM 1458 N ILE A 92 6.787 -2.360 -2.550 1.00 0.00 N ATOM 1459 CA ILE A 92 5.367 -2.286 -2.151 1.00 0.00 C ATOM 1460 C ILE A 92 4.582 -1.304 -3.040 1.00 0.00 C ATOM 1461 O ILE A 92 5.177 -0.520 -3.781 1.00 0.00 O ATOM 1462 CB ILE A 92 5.209 -1.968 -0.639 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.682 -0.545 -0.311 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.949 -2.994 0.230 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.449 -0.086 1.130 1.00 0.00 C ATOM 0 H ILE A 92 7.219 -1.441 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 92 4.931 -3.273 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 92 4.146 -2.032 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.748 -0.477 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.176 0.150 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.818 -2.742 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.545 -3.989 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.011 -2.981 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.820 0.932 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.382 -0.113 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.979 -0.750 1.813 1.00 0.00 H new ATOM 1477 N LYS A 93 3.251 -1.345 -2.963 1.00 0.00 N ATOM 1478 CA LYS A 93 2.325 -0.454 -3.683 1.00 0.00 C ATOM 1479 C LYS A 93 0.949 -0.341 -2.989 1.00 0.00 C ATOM 1480 O LYS A 93 0.604 -1.177 -2.150 1.00 0.00 O ATOM 1481 CB LYS A 93 2.197 -0.907 -5.156 1.00 0.00 C ATOM 1482 CG LYS A 93 1.466 -2.250 -5.329 1.00 0.00 C ATOM 1483 CD LYS A 93 1.405 -2.667 -6.804 1.00 0.00 C ATOM 1484 CE LYS A 93 0.613 -3.975 -6.948 1.00 0.00 C ATOM 1485 NZ LYS A 93 0.559 -4.434 -8.362 1.00 0.00 N ATOM 0 H LYS A 93 2.765 -2.023 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 93 2.745 0.552 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.665 -0.139 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.194 -0.987 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.977 -3.021 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.455 -2.170 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.934 -1.880 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.414 -2.798 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.072 -4.748 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.400 -3.830 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.423 -4.664 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.910 -3.679 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.153 -5.280 -8.475 1.00 0.00 H new ATOM 1499 N ARG A 94 0.149 0.659 -3.381 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.267 0.816 -3.009 1.00 0.00 C ATOM 1501 C ARG A 94 -2.195 0.394 -4.158 1.00 0.00 C ATOM 1502 O ARG A 94 -1.838 0.517 -5.332 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.573 2.275 -2.628 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.976 2.667 -1.271 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.316 4.110 -0.864 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.750 4.300 -0.566 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.668 4.865 -1.339 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.407 5.295 -2.558 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.889 5.006 -0.883 1.00 0.00 N ATOM 0 H ARG A 94 0.480 1.409 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.448 0.170 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.180 2.938 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.653 2.421 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.344 1.983 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.107 2.551 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.729 4.383 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.024 4.787 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.072 3.957 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.467 5.199 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.145 5.723 -3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.123 4.683 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.605 5.439 -1.467 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.403 -0.048 -3.817 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.503 -0.325 -4.750 1.00 0.00 C ATOM 1525 C ASP A 95 -5.882 -0.150 -4.081 1.00 0.00 C ATOM 1526 O ASP A 95 -5.983 0.191 -2.900 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.353 -1.737 -5.360 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.652 -1.755 -6.869 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.716 -1.226 -7.273 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.829 -2.301 -7.640 1.00 0.00 O ATOM 0 H ASP A 95 -3.657 -0.232 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.446 0.406 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.339 -2.099 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.028 -2.425 -4.850 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.948 -0.394 -4.841 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.354 -0.237 -4.447 1.00 0.00 C ATOM 1537 C ILE A 96 -9.132 -1.521 -4.746 1.00 0.00 C ATOM 1538 O ILE A 96 -8.952 -2.152 -5.789 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.986 0.958 -5.198 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.217 2.279 -4.989 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.463 1.157 -4.795 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.289 2.805 -3.557 1.00 0.00 C ATOM 0 H ILE A 96 -6.853 -0.725 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.400 -0.042 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.927 0.703 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.172 2.129 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.617 3.034 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.878 2.005 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.030 0.258 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.525 1.349 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.727 3.736 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.330 2.987 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.862 2.068 -2.877 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.032 -1.881 -3.833 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.001 -2.971 -4.022 1.00 0.00 C ATOM 1556 C ILE A 97 -12.312 -2.426 -4.601 1.00 0.00 C ATOM 1557 O ILE A 97 -12.799 -1.381 -4.170 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.271 -3.718 -2.704 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.995 -4.264 -2.040 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.256 -4.870 -2.940 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.355 -3.249 -1.086 1.00 0.00 C ATOM 0 H ILE A 97 -10.114 -1.420 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.569 -3.681 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.699 -2.985 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.235 -5.174 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.275 -4.538 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.439 -5.391 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.196 -4.472 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.834 -5.567 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.458 -3.682 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.088 -2.348 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.063 -2.994 -0.297 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.913 -3.176 -5.523 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.181 -2.830 -6.189 1.00 0.00 C ATOM 1575 C ASP A 98 -15.399 -3.666 -5.727 1.00 0.00 C ATOM 1576 O ASP A 98 -16.537 -3.239 -5.922 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.961 -2.952 -7.704 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.121 -2.375 -8.533 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.358 -1.146 -8.463 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.759 -3.145 -9.294 1.00 0.00 O ATOM 0 H ASP A 98 -12.527 -4.065 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.440 -1.809 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.039 -2.437 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.826 -4.002 -7.962 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.147 -4.816 -5.079 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.099 -5.775 -4.462 1.00 0.00 C ATOM 1587 C ILE A 99 -16.809 -6.654 -5.529 1.00 0.00 C ATOM 1588 O ILE A 99 -17.387 -6.115 -6.480 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.110 -5.090 -3.500 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.436 -4.161 -2.458 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.004 -6.111 -2.773 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.563 -4.860 -1.408 1.00 0.00 C ATOM 0 H ILE A 99 -14.185 -5.133 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.501 -6.443 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.730 -4.469 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.821 -3.435 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.215 -3.601 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.694 -5.585 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.570 -6.686 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.382 -6.786 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.142 -4.116 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.171 -5.564 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.755 -5.397 -1.905 1.00 0.00 H new