USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 67 MET CE :methyl -113:sc= -4.11! (180deg=-8.1!) USER MOD Set 1.2: A 70 SER OG : rot -85:sc= -1.6! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.036 (180deg=-0.261) USER MOD Single : A 23 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-6.9!) USER MOD Single : A 33 THR OG1 : rot 160:sc= -0.272 USER MOD Single : A 36 GLN : amide:sc= -5.06! C(o=-5.1!,f=-2.9!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-8.9!) USER MOD Single : A 66 ASN : amide:sc= -2.8! K(o=-2.8!,f=-1) USER MOD Single : A 68 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.715 K(o=-0.71,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.793 0.527 4.552 1.00 0.00 N ATOM 144 CA ARG A 6 -18.413 0.492 3.145 1.00 0.00 C ATOM 145 C ARG A 6 -16.897 0.545 2.990 1.00 0.00 C ATOM 146 O ARG A 6 -16.313 -0.222 2.224 1.00 0.00 O ATOM 147 CB ARG A 6 -19.055 1.658 2.392 1.00 0.00 C ATOM 148 CG ARG A 6 -20.557 1.511 2.208 1.00 0.00 C ATOM 149 CD ARG A 6 -21.242 2.866 2.113 1.00 0.00 C ATOM 150 NE ARG A 6 -22.526 2.783 1.423 1.00 0.00 N ATOM 151 CZ ARG A 6 -23.357 3.811 1.290 1.00 0.00 C ATOM 152 NH1 ARG A 6 -23.038 4.995 1.796 1.00 0.00 N ATOM 153 NH2 ARG A 6 -24.508 3.657 0.649 1.00 0.00 N ATOM 0 HA ARG A 6 -18.771 -0.446 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.852 2.583 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.585 1.750 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.759 0.936 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.974 0.949 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.394 3.266 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.592 3.565 1.586 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.800 1.887 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.153 5.118 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -23.678 5.783 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.756 2.748 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.145 4.447 0.548 1.00 0.00 H new ATOM 167 N VAL A 7 -16.264 1.457 3.721 1.00 0.00 N ATOM 168 CA VAL A 7 -14.815 1.610 3.666 1.00 0.00 C ATOM 169 C VAL A 7 -14.116 0.533 4.487 1.00 0.00 C ATOM 170 O VAL A 7 -14.319 0.430 5.698 1.00 0.00 O ATOM 171 CB VAL A 7 -14.377 2.995 4.178 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.862 3.126 4.135 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.039 4.097 3.364 1.00 0.00 C ATOM 0 H VAL A 7 -16.732 2.101 4.358 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.526 1.509 2.620 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.697 3.098 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.571 4.111 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.412 2.358 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.515 3.003 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.719 5.069 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.751 3.999 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.122 4.013 3.452 1.00 0.00 H new ATOM 183 N LEU A 8 -13.292 -0.269 3.822 1.00 0.00 N ATOM 184 CA LEU A 8 -12.561 -1.340 4.490 1.00 0.00 C ATOM 185 C LEU A 8 -11.153 -0.887 4.866 1.00 0.00 C ATOM 186 O LEU A 8 -10.532 -0.100 4.151 1.00 0.00 O ATOM 187 CB LEU A 8 -12.488 -2.574 3.590 1.00 0.00 C ATOM 188 CG LEU A 8 -13.776 -2.943 2.852 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.617 -4.275 2.135 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.949 -2.993 3.820 1.00 0.00 C ATOM 0 H LEU A 8 -13.113 -0.198 2.820 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.097 -1.596 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.702 -2.414 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.185 -3.426 4.199 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.978 -2.174 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.543 -4.521 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.804 -4.205 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.390 -5.055 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.857 -3.257 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.755 -3.741 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.077 -2.017 4.288 1.00 0.00 H new ATOM 202 N TYR A 9 -10.656 -1.390 5.989 1.00 0.00 N ATOM 203 CA TYR A 9 -9.321 -1.037 6.460 1.00 0.00 C ATOM 204 C TYR A 9 -8.375 -2.230 6.358 1.00 0.00 C ATOM 205 O TYR A 9 -8.607 -3.275 6.965 1.00 0.00 O ATOM 206 CB TYR A 9 -9.382 -0.542 7.906 1.00 0.00 C ATOM 207 CG TYR A 9 -8.050 -0.592 8.620 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.565 -1.784 9.144 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.276 0.552 8.769 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.349 -1.834 9.797 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.058 0.511 9.420 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.599 -0.684 9.932 1.00 0.00 C ATOM 213 OH TYR A 9 -4.387 -0.730 10.581 1.00 0.00 O ATOM 0 H TYR A 9 -11.157 -2.044 6.591 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.939 -0.238 5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.751 0.484 7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.103 -1.145 8.458 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.149 -2.687 9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.633 1.490 8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.987 -2.768 10.200 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.469 1.410 9.527 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.986 0.164 10.589 1.00 0.00 H new ATOM 223 N VAL A 10 -7.305 -2.063 5.587 1.00 0.00 N ATOM 224 CA VAL A 10 -6.321 -3.124 5.406 1.00 0.00 C ATOM 225 C VAL A 10 -5.016 -2.791 6.121 1.00 0.00 C ATOM 226 O VAL A 10 -4.579 -1.641 6.134 1.00 0.00 O ATOM 227 CB VAL A 10 -6.027 -3.368 3.914 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.075 -4.542 3.742 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.321 -3.604 3.149 1.00 0.00 C ATOM 0 H VAL A 10 -7.098 -1.204 5.078 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.748 -4.029 5.838 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.546 -2.479 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.879 -4.699 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.138 -4.329 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.525 -5.440 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.095 -3.775 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.831 -4.477 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.965 -2.730 3.245 1.00 0.00 H new ATOM 239 N GLY A 11 -4.398 -3.807 6.717 1.00 0.00 N ATOM 240 CA GLY A 11 -3.149 -3.602 7.426 1.00 0.00 C ATOM 241 C GLY A 11 -2.132 -4.687 7.135 1.00 0.00 C ATOM 242 O GLY A 11 -2.440 -5.672 6.466 1.00 0.00 O ATOM 0 H GLY A 11 -4.740 -4.768 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.732 -2.634 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.344 -3.570 8.498 1.00 0.00 H new ATOM 246 N GLY A 12 -0.915 -4.506 7.639 1.00 0.00 N ATOM 247 CA GLY A 12 0.133 -5.486 7.417 1.00 0.00 C ATOM 248 C GLY A 12 0.464 -5.657 5.948 1.00 0.00 C ATOM 249 O GLY A 12 0.723 -6.770 5.488 1.00 0.00 O ATOM 0 H GLY A 12 -0.636 -3.699 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.031 -5.182 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.177 -6.446 7.831 1.00 0.00 H new ATOM 253 N LEU A 13 0.456 -4.553 5.208 1.00 0.00 N ATOM 254 CA LEU A 13 0.756 -4.586 3.781 1.00 0.00 C ATOM 255 C LEU A 13 2.263 -4.574 3.542 1.00 0.00 C ATOM 256 O LEU A 13 3.052 -4.619 4.485 1.00 0.00 O ATOM 257 CB LEU A 13 0.106 -3.395 3.076 1.00 0.00 C ATOM 258 CG LEU A 13 -1.420 -3.413 2.996 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.949 -2.054 2.565 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.891 -4.498 2.038 1.00 0.00 C ATOM 0 H LEU A 13 0.245 -3.624 5.573 1.00 0.00 H new ATOM 0 HA LEU A 13 0.349 -5.510 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.412 -2.483 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.502 -3.338 2.062 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.813 -3.635 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.037 -2.087 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.642 -1.298 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.547 -1.802 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.980 -4.496 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.487 -4.306 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.544 -5.470 2.390 1.00 0.00 H new ATOM 272 N ALA A 14 2.655 -4.511 2.273 1.00 0.00 N ATOM 273 CA ALA A 14 4.066 -4.488 1.910 1.00 0.00 C ATOM 274 C ALA A 14 4.493 -3.096 1.456 1.00 0.00 C ATOM 275 O ALA A 14 3.665 -2.197 1.319 1.00 0.00 O ATOM 276 CB ALA A 14 4.347 -5.511 0.820 1.00 0.00 C ATOM 0 H ALA A 14 2.015 -4.475 1.480 1.00 0.00 H new ATOM 0 HA ALA A 14 4.648 -4.747 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.405 -5.483 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.089 -6.507 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.749 -5.277 -0.061 1.00 0.00 H new ATOM 282 N GLU A 15 5.791 -2.927 1.224 1.00 0.00 N ATOM 283 CA GLU A 15 6.328 -1.644 0.787 1.00 0.00 C ATOM 284 C GLU A 15 6.083 -1.432 -0.705 1.00 0.00 C ATOM 285 O GLU A 15 6.271 -0.332 -1.224 1.00 0.00 O ATOM 286 CB GLU A 15 7.826 -1.563 1.085 1.00 0.00 C ATOM 287 CG GLU A 15 8.640 -2.655 0.411 1.00 0.00 C ATOM 288 CD GLU A 15 10.135 -2.436 0.545 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.555 -1.266 0.662 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.884 -3.435 0.533 1.00 0.00 O ATOM 0 H GLU A 15 6.490 -3.662 1.331 1.00 0.00 H new ATOM 0 HA GLU A 15 5.813 -0.857 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.200 -0.591 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.977 -1.621 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.378 -3.619 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.376 -2.700 -0.646 1.00 0.00 H new ATOM 297 N GLU A 16 5.662 -2.493 -1.386 1.00 0.00 N ATOM 298 CA GLU A 16 5.393 -2.423 -2.818 1.00 0.00 C ATOM 299 C GLU A 16 3.896 -2.520 -3.095 1.00 0.00 C ATOM 300 O GLU A 16 3.479 -2.893 -4.192 1.00 0.00 O ATOM 301 CB GLU A 16 6.133 -3.543 -3.553 1.00 0.00 C ATOM 302 CG GLU A 16 7.529 -3.154 -4.008 1.00 0.00 C ATOM 303 CD GLU A 16 8.566 -3.318 -2.913 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.643 -4.420 -2.331 1.00 0.00 O ATOM 305 OE2 GLU A 16 9.299 -2.345 -2.639 1.00 0.00 O ATOM 0 H GLU A 16 5.500 -3.410 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 16 5.751 -1.460 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.202 -4.412 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.548 -3.844 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.811 -3.765 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.522 -2.117 -4.344 1.00 0.00 H new ATOM 312 N VAL A 17 3.091 -2.181 -2.093 1.00 0.00 N ATOM 313 CA VAL A 17 1.640 -2.229 -2.228 1.00 0.00 C ATOM 314 C VAL A 17 1.029 -0.839 -2.084 1.00 0.00 C ATOM 315 O VAL A 17 1.339 -0.107 -1.144 1.00 0.00 O ATOM 316 CB VAL A 17 1.009 -3.165 -1.180 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.505 -3.186 -1.324 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.584 -4.568 -1.306 1.00 0.00 C ATOM 0 H VAL A 17 3.419 -1.870 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 17 1.428 -2.616 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 17 1.250 -2.785 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.933 -3.853 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.898 -2.180 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.771 -3.541 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.128 -5.217 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.375 -4.959 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.662 -4.535 -1.148 1.00 0.00 H new ATOM 328 N ASP A 18 0.159 -0.482 -3.022 1.00 0.00 N ATOM 329 CA ASP A 18 -0.498 0.820 -3.000 1.00 0.00 C ATOM 330 C ASP A 18 -1.931 0.714 -3.513 1.00 0.00 C ATOM 331 O ASP A 18 -2.379 -0.360 -3.915 1.00 0.00 O ATOM 332 CB ASP A 18 0.286 1.825 -3.845 1.00 0.00 C ATOM 333 CG ASP A 18 1.785 1.686 -3.667 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.297 2.098 -2.605 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.446 1.164 -4.589 1.00 0.00 O ATOM 0 H ASP A 18 -0.108 -1.076 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.525 1.168 -1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.033 1.687 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.017 2.837 -3.575 1.00 0.00 H new ATOM 340 N ASP A 19 -2.644 1.834 -3.495 1.00 0.00 N ATOM 341 CA ASP A 19 -4.027 1.868 -3.957 1.00 0.00 C ATOM 342 C ASP A 19 -4.191 1.058 -5.240 1.00 0.00 C ATOM 343 O ASP A 19 -5.241 0.462 -5.481 1.00 0.00 O ATOM 344 CB ASP A 19 -4.474 3.312 -4.191 1.00 0.00 C ATOM 345 CG ASP A 19 -3.896 3.898 -5.464 1.00 0.00 C ATOM 346 OD1 ASP A 19 -4.531 3.747 -6.528 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.808 4.507 -5.396 1.00 0.00 O ATOM 0 H ASP A 19 -2.287 2.731 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.653 1.423 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.562 3.349 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.171 3.925 -3.342 1.00 0.00 H new ATOM 352 N LYS A 20 -3.146 1.041 -6.060 1.00 0.00 N ATOM 353 CA LYS A 20 -3.172 0.305 -7.319 1.00 0.00 C ATOM 354 C LYS A 20 -3.187 -1.200 -7.068 1.00 0.00 C ATOM 355 O LYS A 20 -4.131 -1.893 -7.449 1.00 0.00 O ATOM 356 CB LYS A 20 -1.961 0.678 -8.177 1.00 0.00 C ATOM 357 CG LYS A 20 -1.958 2.128 -8.627 1.00 0.00 C ATOM 358 CD LYS A 20 -0.673 2.483 -9.356 1.00 0.00 C ATOM 359 CE LYS A 20 -0.628 1.860 -10.743 1.00 0.00 C ATOM 360 NZ LYS A 20 -1.643 2.458 -11.653 1.00 0.00 N ATOM 0 H LYS A 20 -2.269 1.529 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.084 0.576 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.051 0.480 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.937 0.034 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.811 2.308 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.078 2.779 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.589 3.566 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.183 2.141 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.366 1.995 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.798 0.786 -10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.403 2.230 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.582 2.072 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.655 3.491 -11.529 1.00 0.00 H new ATOM 374 N VAL A 21 -2.136 -1.699 -6.425 1.00 0.00 N ATOM 375 CA VAL A 21 -2.030 -3.121 -6.121 1.00 0.00 C ATOM 376 C VAL A 21 -3.290 -3.630 -5.430 1.00 0.00 C ATOM 377 O VAL A 21 -3.831 -4.675 -5.793 1.00 0.00 O ATOM 378 CB VAL A 21 -0.812 -3.414 -5.226 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.660 -4.912 -5.005 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.451 -2.827 -5.837 1.00 0.00 C ATOM 0 H VAL A 21 -1.346 -1.139 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.906 -3.640 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.973 -2.942 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.206 -5.100 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.556 -5.301 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.521 -5.409 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.302 -3.043 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.619 -3.269 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.338 -1.748 -5.939 1.00 0.00 H new ATOM 390 N LEU A 22 -3.752 -2.886 -4.431 1.00 0.00 N ATOM 391 CA LEU A 22 -4.949 -3.262 -3.687 1.00 0.00 C ATOM 392 C LEU A 22 -6.187 -3.190 -4.576 1.00 0.00 C ATOM 393 O LEU A 22 -7.080 -4.032 -4.484 1.00 0.00 O ATOM 394 CB LEU A 22 -5.126 -2.350 -2.472 1.00 0.00 C ATOM 395 CG LEU A 22 -4.233 -2.655 -1.269 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.220 -1.481 -0.302 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.700 -3.922 -0.566 1.00 0.00 C ATOM 0 H LEU A 22 -3.316 -2.019 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.828 -4.290 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.942 -1.322 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.166 -2.404 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.216 -2.815 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.579 -1.717 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.838 -0.595 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.233 -1.288 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.053 -4.124 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.725 -3.790 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.656 -4.761 -1.261 1.00 0.00 H new ATOM 409 N HIS A 23 -6.232 -2.179 -5.437 1.00 0.00 N ATOM 410 CA HIS A 23 -7.360 -1.998 -6.345 1.00 0.00 C ATOM 411 C HIS A 23 -7.606 -3.261 -7.164 1.00 0.00 C ATOM 412 O HIS A 23 -8.700 -3.823 -7.142 1.00 0.00 O ATOM 413 CB HIS A 23 -7.106 -0.813 -7.278 1.00 0.00 C ATOM 414 CG HIS A 23 -7.925 -0.850 -8.531 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.710 -1.760 -9.544 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.967 -0.084 -8.930 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.583 -1.551 -10.513 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.357 -0.539 -10.166 1.00 0.00 N ATOM 0 H HIS A 23 -5.501 -1.473 -5.526 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.248 -1.796 -5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.318 0.112 -6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.049 -0.792 -7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.409 0.733 -8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.652 -2.113 -11.433 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.120 -0.157 -10.725 1.00 0.00 H new ATOM 426 N ALA A 24 -6.581 -3.702 -7.886 1.00 0.00 N ATOM 427 CA ALA A 24 -6.686 -4.899 -8.711 1.00 0.00 C ATOM 428 C ALA A 24 -6.814 -6.150 -7.849 1.00 0.00 C ATOM 429 O ALA A 24 -7.203 -7.212 -8.333 1.00 0.00 O ATOM 430 CB ALA A 24 -5.480 -5.012 -9.632 1.00 0.00 C ATOM 0 H ALA A 24 -5.668 -3.248 -7.916 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.587 -4.814 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.571 -5.910 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.433 -4.136 -10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.570 -5.070 -9.035 1.00 0.00 H new ATOM 436 N ALA A 25 -6.484 -6.017 -6.568 1.00 0.00 N ATOM 437 CA ALA A 25 -6.564 -7.137 -5.638 1.00 0.00 C ATOM 438 C ALA A 25 -7.963 -7.258 -5.043 1.00 0.00 C ATOM 439 O ALA A 25 -8.406 -8.350 -4.690 1.00 0.00 O ATOM 440 CB ALA A 25 -5.530 -6.980 -4.533 1.00 0.00 C ATOM 0 H ALA A 25 -6.159 -5.145 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.353 -8.052 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.601 -7.823 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.532 -6.951 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.715 -6.053 -3.990 1.00 0.00 H new ATOM 446 N PHE A 26 -8.654 -6.128 -4.935 1.00 0.00 N ATOM 447 CA PHE A 26 -10.003 -6.107 -4.381 1.00 0.00 C ATOM 448 C PHE A 26 -11.033 -5.811 -5.467 1.00 0.00 C ATOM 449 O PHE A 26 -12.230 -5.723 -5.195 1.00 0.00 O ATOM 450 CB PHE A 26 -10.104 -5.062 -3.268 1.00 0.00 C ATOM 451 CG PHE A 26 -9.481 -5.502 -1.974 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.243 -6.124 -1.962 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.134 -5.294 -0.770 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.667 -6.529 -0.773 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.563 -5.697 0.422 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.329 -6.317 0.421 1.00 0.00 C ATOM 0 H PHE A 26 -8.302 -5.215 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.213 -7.092 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.622 -4.142 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.154 -4.827 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.722 -6.294 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.100 -4.811 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.700 -7.011 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.082 -5.527 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.882 -6.635 1.351 1.00 0.00 H new ATOM 466 N ILE A 27 -10.557 -5.658 -6.699 1.00 0.00 N ATOM 467 CA ILE A 27 -11.436 -5.372 -7.826 1.00 0.00 C ATOM 468 C ILE A 27 -12.463 -6.483 -8.017 1.00 0.00 C ATOM 469 O ILE A 27 -13.590 -6.251 -8.455 1.00 0.00 O ATOM 470 CB ILE A 27 -10.638 -5.196 -9.131 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.467 -4.429 -10.163 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.219 -6.551 -9.683 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.722 -2.987 -9.782 1.00 0.00 C ATOM 0 H ILE A 27 -9.569 -5.727 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.951 -4.439 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.739 -4.619 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.953 -4.457 -11.124 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.423 -4.935 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.656 -6.410 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.595 -7.064 -8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.106 -7.151 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.315 -2.505 -10.559 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.264 -2.951 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.771 -2.465 -9.675 1.00 0.00 H new ATOM 485 N PRO A 28 -12.068 -7.719 -7.680 1.00 0.00 N ATOM 486 CA PRO A 28 -12.941 -8.890 -7.803 1.00 0.00 C ATOM 487 C PRO A 28 -14.220 -8.749 -6.986 1.00 0.00 C ATOM 488 O PRO A 28 -15.319 -8.982 -7.489 1.00 0.00 O ATOM 489 CB PRO A 28 -12.080 -10.033 -7.258 1.00 0.00 C ATOM 490 CG PRO A 28 -10.678 -9.549 -7.393 1.00 0.00 C ATOM 491 CD PRO A 28 -10.739 -8.069 -7.151 1.00 0.00 C ATOM 0 HA PRO A 28 -13.276 -9.042 -8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.325 -10.252 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.238 -10.952 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.023 -10.038 -6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.281 -9.768 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.646 -7.826 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.942 -7.539 -7.671 1.00 0.00 H new ATOM 499 N PHE A 29 -14.070 -8.366 -5.722 1.00 0.00 N ATOM 500 CA PHE A 29 -15.214 -8.194 -4.834 1.00 0.00 C ATOM 501 C PHE A 29 -16.291 -7.339 -5.494 1.00 0.00 C ATOM 502 O PHE A 29 -17.419 -7.787 -5.695 1.00 0.00 O ATOM 503 CB PHE A 29 -14.772 -7.552 -3.517 1.00 0.00 C ATOM 504 CG PHE A 29 -13.811 -8.397 -2.731 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.160 -9.677 -2.333 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.560 -7.910 -2.389 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.278 -10.458 -1.609 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.674 -8.686 -1.665 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.034 -9.961 -1.274 1.00 0.00 C ATOM 0 H PHE A 29 -13.167 -8.169 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.633 -9.179 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.307 -6.589 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.652 -7.353 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.132 -10.070 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.274 -6.913 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.562 -11.455 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.701 -8.296 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.344 -10.568 -0.707 1.00 0.00 H new ATOM 519 N GLY A 30 -15.934 -6.103 -5.830 1.00 0.00 N ATOM 520 CA GLY A 30 -16.881 -5.203 -6.463 1.00 0.00 C ATOM 521 C GLY A 30 -16.202 -4.174 -7.345 1.00 0.00 C ATOM 522 O GLY A 30 -15.193 -4.466 -7.987 1.00 0.00 O ATOM 0 H GLY A 30 -15.006 -5.709 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.584 -5.782 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.461 -4.692 -5.695 1.00 0.00 H new ATOM 526 N ASP A 31 -16.756 -2.968 -7.378 1.00 0.00 N ATOM 527 CA ASP A 31 -16.198 -1.891 -8.188 1.00 0.00 C ATOM 528 C ASP A 31 -15.706 -0.747 -7.307 1.00 0.00 C ATOM 529 O ASP A 31 -16.422 0.231 -7.086 1.00 0.00 O ATOM 530 CB ASP A 31 -17.243 -1.376 -9.179 1.00 0.00 C ATOM 531 CG ASP A 31 -17.503 -2.355 -10.307 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.554 -2.661 -11.058 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.657 -2.815 -10.438 1.00 0.00 O ATOM 0 H ASP A 31 -17.592 -2.711 -6.853 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.348 -2.289 -8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.176 -1.180 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.907 -0.427 -9.596 1.00 0.00 H new ATOM 538 N ILE A 32 -14.482 -0.876 -6.807 1.00 0.00 N ATOM 539 CA ILE A 32 -13.895 0.147 -5.950 1.00 0.00 C ATOM 540 C ILE A 32 -14.135 1.542 -6.518 1.00 0.00 C ATOM 541 O ILE A 32 -13.642 1.880 -7.594 1.00 0.00 O ATOM 542 CB ILE A 32 -12.381 -0.069 -5.772 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.109 -1.448 -5.166 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.789 1.026 -4.897 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.655 -1.861 -5.235 1.00 0.00 C ATOM 0 H ILE A 32 -13.877 -1.679 -6.980 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.382 0.063 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.904 -0.022 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.430 -1.448 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.715 -2.190 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.718 0.859 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.957 1.996 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.268 1.008 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.535 -2.848 -4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.335 -1.894 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.046 -1.140 -4.691 1.00 0.00 H new ATOM 557 N THR A 33 -14.894 2.351 -5.785 1.00 0.00 N ATOM 558 CA THR A 33 -15.199 3.710 -6.213 1.00 0.00 C ATOM 559 C THR A 33 -14.001 4.631 -6.014 1.00 0.00 C ATOM 560 O THR A 33 -13.685 5.450 -6.878 1.00 0.00 O ATOM 561 CB THR A 33 -16.406 4.283 -5.447 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.077 4.439 -4.062 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.617 3.374 -5.587 1.00 0.00 C ATOM 0 H THR A 33 -15.309 2.088 -4.891 1.00 0.00 H new ATOM 0 HA THR A 33 -15.443 3.660 -7.274 1.00 0.00 H new ATOM 0 HB THR A 33 -16.651 5.256 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.694 5.078 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.457 3.799 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.882 3.281 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.381 2.389 -5.184 1.00 0.00 H new ATOM 571 N ASP A 34 -13.336 4.491 -4.872 1.00 0.00 N ATOM 572 CA ASP A 34 -12.171 5.310 -4.561 1.00 0.00 C ATOM 573 C ASP A 34 -11.363 4.695 -3.422 1.00 0.00 C ATOM 574 O ASP A 34 -11.899 3.952 -2.599 1.00 0.00 O ATOM 575 CB ASP A 34 -12.603 6.729 -4.188 1.00 0.00 C ATOM 576 CG ASP A 34 -13.317 7.434 -5.325 1.00 0.00 C ATOM 577 OD1 ASP A 34 -12.642 7.813 -6.305 1.00 0.00 O ATOM 578 OD2 ASP A 34 -14.550 7.608 -5.234 1.00 0.00 O ATOM 0 H ASP A 34 -13.584 3.818 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.540 5.352 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.260 6.689 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.726 7.308 -3.898 1.00 0.00 H new ATOM 583 N ILE A 35 -10.073 5.010 -3.381 1.00 0.00 N ATOM 584 CA ILE A 35 -9.192 4.488 -2.343 1.00 0.00 C ATOM 585 C ILE A 35 -8.463 5.617 -1.623 1.00 0.00 C ATOM 586 O ILE A 35 -8.183 6.661 -2.210 1.00 0.00 O ATOM 587 CB ILE A 35 -8.154 3.510 -2.925 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.853 2.293 -3.534 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.171 3.079 -1.847 1.00 0.00 C ATOM 590 CD1 ILE A 35 -7.903 1.317 -4.193 1.00 0.00 C ATOM 0 H ILE A 35 -9.614 5.624 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.823 3.954 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.599 4.018 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.409 1.775 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.581 2.633 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.444 2.388 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.654 3.955 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.711 2.585 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.468 0.480 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.365 1.819 -4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.191 0.948 -3.455 1.00 0.00 H new ATOM 602 N GLN A 36 -8.157 5.397 -0.348 1.00 0.00 N ATOM 603 CA GLN A 36 -7.459 6.396 0.452 1.00 0.00 C ATOM 604 C GLN A 36 -6.138 5.846 0.978 1.00 0.00 C ATOM 605 O GLN A 36 -6.095 4.766 1.570 1.00 0.00 O ATOM 606 CB GLN A 36 -8.337 6.850 1.620 1.00 0.00 C ATOM 607 CG GLN A 36 -9.567 7.633 1.188 1.00 0.00 C ATOM 608 CD GLN A 36 -10.645 6.746 0.598 1.00 0.00 C ATOM 609 OE1 GLN A 36 -11.417 6.120 1.325 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.705 6.688 -0.728 1.00 0.00 N ATOM 0 H GLN A 36 -8.381 4.537 0.152 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.246 7.253 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.654 5.975 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.742 7.467 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.972 8.169 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.276 8.383 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.045 7.223 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.411 6.108 -1.182 1.00 0.00 H new ATOM 619 N ILE A 37 -5.062 6.594 0.759 1.00 0.00 N ATOM 620 CA ILE A 37 -3.739 6.180 1.212 1.00 0.00 C ATOM 621 C ILE A 37 -3.049 7.298 1.986 1.00 0.00 C ATOM 622 O ILE A 37 -2.559 8.272 1.415 1.00 0.00 O ATOM 623 CB ILE A 37 -2.845 5.762 0.030 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.543 4.694 -0.814 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.504 5.252 0.535 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.487 3.310 -0.206 1.00 0.00 C ATOM 0 H ILE A 37 -5.080 7.489 0.271 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.884 5.322 1.869 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.667 6.635 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.586 4.978 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.084 4.666 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.883 4.960 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.003 6.040 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.663 4.389 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.002 2.605 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.447 3.005 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.972 3.321 0.770 1.00 0.00 H new ATOM 638 N PRO A 38 -3.008 7.155 3.320 1.00 0.00 N ATOM 639 CA PRO A 38 -2.378 8.142 4.202 1.00 0.00 C ATOM 640 C PRO A 38 -0.860 8.162 4.059 1.00 0.00 C ATOM 641 O PRO A 38 -0.197 7.135 4.215 1.00 0.00 O ATOM 642 CB PRO A 38 -2.776 7.670 5.603 1.00 0.00 C ATOM 643 CG PRO A 38 -3.022 6.209 5.455 1.00 0.00 C ATOM 644 CD PRO A 38 -3.572 6.019 4.068 1.00 0.00 C ATOM 0 HA PRO A 38 -2.699 9.158 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.985 7.867 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.668 8.188 5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.101 5.643 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.727 5.854 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.265 5.064 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.662 6.035 4.062 1.00 0.00 H new ATOM 652 N LEU A 39 -0.314 9.336 3.761 1.00 0.00 N ATOM 653 CA LEU A 39 1.128 9.490 3.597 1.00 0.00 C ATOM 654 C LEU A 39 1.627 10.738 4.318 1.00 0.00 C ATOM 655 O LEU A 39 0.872 11.686 4.535 1.00 0.00 O ATOM 656 CB LEU A 39 1.486 9.567 2.112 1.00 0.00 C ATOM 657 CG LEU A 39 1.259 8.291 1.300 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.697 8.492 -0.143 1.00 0.00 C ATOM 659 CD2 LEU A 39 2.001 7.120 1.926 1.00 0.00 C ATOM 0 H LEU A 39 -0.848 10.195 3.628 1.00 0.00 H new ATOM 0 HA LEU A 39 1.615 8.620 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.904 10.370 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.536 9.847 2.026 1.00 0.00 H new ATOM 0 HG LEU A 39 0.193 8.064 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.528 7.574 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.120 9.302 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.757 8.744 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.827 6.221 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.069 7.337 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.639 6.961 2.942 1.00 0.00 H new ATOM 671 N ASP A 40 2.904 10.732 4.683 1.00 0.00 N ATOM 672 CA ASP A 40 3.506 11.865 5.377 1.00 0.00 C ATOM 673 C ASP A 40 3.862 12.976 4.394 1.00 0.00 C ATOM 674 O ASP A 40 3.558 12.888 3.204 1.00 0.00 O ATOM 675 CB ASP A 40 4.757 11.419 6.136 1.00 0.00 C ATOM 676 CG ASP A 40 5.013 12.259 7.372 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.143 12.278 8.267 1.00 0.00 O ATOM 678 OD2 ASP A 40 6.084 12.898 7.444 1.00 0.00 O ATOM 0 H ASP A 40 3.542 9.956 4.510 1.00 0.00 H new ATOM 0 HA ASP A 40 2.778 12.253 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.649 10.374 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.621 11.479 5.474 1.00 0.00 H new ATOM 683 N TYR A 41 4.506 14.022 4.900 1.00 0.00 N ATOM 684 CA TYR A 41 4.900 15.153 4.068 1.00 0.00 C ATOM 685 C TYR A 41 6.411 15.174 3.856 1.00 0.00 C ATOM 686 O TYR A 41 6.907 15.784 2.911 1.00 0.00 O ATOM 687 CB TYR A 41 4.445 16.466 4.707 1.00 0.00 C ATOM 688 CG TYR A 41 5.336 16.930 5.838 1.00 0.00 C ATOM 689 CD1 TYR A 41 6.479 17.679 5.585 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.035 16.619 7.158 1.00 0.00 C ATOM 691 CE1 TYR A 41 7.296 18.104 6.615 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.846 17.041 8.194 1.00 0.00 C ATOM 693 CZ TYR A 41 6.975 17.783 7.917 1.00 0.00 C ATOM 694 OH TYR A 41 7.786 18.205 8.946 1.00 0.00 O ATOM 0 H TYR A 41 4.766 14.110 5.882 1.00 0.00 H new ATOM 0 HA TYR A 41 4.417 15.043 3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.411 17.241 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.429 16.345 5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.733 17.933 4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.152 16.037 7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.181 18.685 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.597 16.791 9.215 1.00 0.00 H new ATOM 0 HH TYR A 41 7.418 17.896 9.800 1.00 0.00 H new ATOM 704 N GLU A 42 7.135 14.500 4.745 1.00 0.00 N ATOM 705 CA GLU A 42 8.590 14.441 4.656 1.00 0.00 C ATOM 706 C GLU A 42 9.048 13.085 4.127 1.00 0.00 C ATOM 707 O GLU A 42 10.127 12.964 3.547 1.00 0.00 O ATOM 708 CB GLU A 42 9.218 14.705 6.026 1.00 0.00 C ATOM 709 CG GLU A 42 8.457 14.069 7.177 1.00 0.00 C ATOM 710 CD GLU A 42 9.250 14.066 8.469 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.197 15.075 9.202 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.924 13.052 8.748 1.00 0.00 O ATOM 0 H GLU A 42 6.739 13.988 5.533 1.00 0.00 H new ATOM 0 HA GLU A 42 8.918 15.213 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.241 14.329 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.274 15.781 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.521 14.607 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.196 13.044 6.913 1.00 0.00 H new ATOM 719 N THR A 43 8.219 12.066 4.332 1.00 0.00 N ATOM 720 CA THR A 43 8.538 10.718 3.878 1.00 0.00 C ATOM 721 C THR A 43 7.431 10.160 2.991 1.00 0.00 C ATOM 722 O THR A 43 7.637 9.190 2.263 1.00 0.00 O ATOM 723 CB THR A 43 8.759 9.763 5.066 1.00 0.00 C ATOM 724 OG1 THR A 43 7.614 9.776 5.925 1.00 0.00 O ATOM 725 CG2 THR A 43 9.997 10.161 5.857 1.00 0.00 C ATOM 0 H THR A 43 7.322 12.149 4.810 1.00 0.00 H new ATOM 0 HA THR A 43 9.460 10.789 3.302 1.00 0.00 H new ATOM 0 HB THR A 43 8.906 8.757 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.762 9.165 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.133 9.472 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.872 10.122 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.874 11.174 6.239 1.00 0.00 H new ATOM 733 N GLU A 44 6.257 10.780 3.058 1.00 0.00 N ATOM 734 CA GLU A 44 5.117 10.343 2.260 1.00 0.00 C ATOM 735 C GLU A 44 5.046 8.820 2.201 1.00 0.00 C ATOM 736 O GLU A 44 4.778 8.239 1.149 1.00 0.00 O ATOM 737 CB GLU A 44 5.208 10.915 0.844 1.00 0.00 C ATOM 738 CG GLU A 44 6.397 10.395 0.052 1.00 0.00 C ATOM 739 CD GLU A 44 6.424 10.918 -1.371 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.991 12.010 -1.590 1.00 0.00 O ATOM 741 OE2 GLU A 44 5.880 10.237 -2.264 1.00 0.00 O ATOM 0 H GLU A 44 6.070 11.585 3.656 1.00 0.00 H new ATOM 0 HA GLU A 44 4.209 10.714 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.291 10.676 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.269 12.002 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.319 10.681 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.368 9.306 0.034 1.00 0.00 H new ATOM 748 N LYS A 45 5.288 8.178 3.339 1.00 0.00 N ATOM 749 CA LYS A 45 5.251 6.723 3.420 1.00 0.00 C ATOM 750 C LYS A 45 4.016 6.251 4.180 1.00 0.00 C ATOM 751 O LYS A 45 3.488 6.967 5.032 1.00 0.00 O ATOM 752 CB LYS A 45 6.516 6.197 4.103 1.00 0.00 C ATOM 753 CG LYS A 45 7.765 6.319 3.248 1.00 0.00 C ATOM 754 CD LYS A 45 8.769 5.225 3.568 1.00 0.00 C ATOM 755 CE LYS A 45 9.944 5.246 2.603 1.00 0.00 C ATOM 756 NZ LYS A 45 9.606 4.604 1.303 1.00 0.00 N ATOM 0 H LYS A 45 5.512 8.643 4.219 1.00 0.00 H new ATOM 0 HA LYS A 45 5.203 6.329 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.669 6.742 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.368 5.150 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.492 6.267 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.224 7.294 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.132 5.351 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.277 4.254 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.253 6.277 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.793 4.730 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.433 4.639 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.336 3.613 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.813 5.111 0.861 1.00 0.00 H new ATOM 770 N HIS A 46 3.560 5.042 3.868 1.00 0.00 N ATOM 771 CA HIS A 46 2.388 4.474 4.524 1.00 0.00 C ATOM 772 C HIS A 46 2.795 3.408 5.537 1.00 0.00 C ATOM 773 O HIS A 46 3.767 2.681 5.331 1.00 0.00 O ATOM 774 CB HIS A 46 1.438 3.872 3.488 1.00 0.00 C ATOM 775 CG HIS A 46 2.029 2.723 2.730 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.504 1.583 3.342 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.218 2.542 1.402 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.962 0.751 2.424 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.800 1.309 1.238 1.00 0.00 N ATOM 0 H HIS A 46 3.984 4.437 3.165 1.00 0.00 H new ATOM 0 HA HIS A 46 1.875 5.277 5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.531 3.537 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.143 4.649 2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.959 3.238 0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.395 -0.220 2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.064 0.892 0.345 1.00 0.00 H new ATOM 787 N ARG A 47 2.046 3.321 6.631 1.00 0.00 N ATOM 788 CA ARG A 47 2.330 2.346 7.677 1.00 0.00 C ATOM 789 C ARG A 47 1.736 0.985 7.327 1.00 0.00 C ATOM 790 O ARG A 47 1.044 0.371 8.138 1.00 0.00 O ATOM 791 CB ARG A 47 1.775 2.828 9.018 1.00 0.00 C ATOM 792 CG ARG A 47 2.352 2.092 10.216 1.00 0.00 C ATOM 793 CD ARG A 47 1.408 2.141 11.408 1.00 0.00 C ATOM 794 NE ARG A 47 1.206 3.505 11.890 1.00 0.00 N ATOM 795 CZ ARG A 47 0.594 3.797 13.032 1.00 0.00 C ATOM 796 NH1 ARG A 47 0.127 2.827 13.805 1.00 0.00 N ATOM 797 NH2 ARG A 47 0.448 5.063 13.402 1.00 0.00 N ATOM 0 H ARG A 47 1.237 3.914 6.816 1.00 0.00 H new ATOM 0 HA ARG A 47 3.412 2.241 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.979 3.893 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.691 2.709 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.547 1.054 9.947 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.309 2.535 10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.447 1.710 11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.810 1.527 12.214 1.00 0.00 H new ATOM 0 HE ARG A 47 1.554 4.275 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.237 1.853 13.523 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.342 3.055 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.806 5.812 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.022 5.287 14.279 1.00 0.00 H new ATOM 811 N GLY A 48 2.011 0.519 6.112 1.00 0.00 N ATOM 812 CA GLY A 48 1.496 -0.766 5.676 1.00 0.00 C ATOM 813 C GLY A 48 0.005 -0.904 5.916 1.00 0.00 C ATOM 814 O GLY A 48 -0.445 -1.870 6.533 1.00 0.00 O ATOM 0 H GLY A 48 2.581 1.009 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.704 -0.896 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.021 -1.562 6.203 1.00 0.00 H new ATOM 818 N PHE A 49 -0.763 0.065 5.428 1.00 0.00 N ATOM 819 CA PHE A 49 -2.212 0.049 5.595 1.00 0.00 C ATOM 820 C PHE A 49 -2.878 1.055 4.662 1.00 0.00 C ATOM 821 O PHE A 49 -2.214 1.912 4.080 1.00 0.00 O ATOM 822 CB PHE A 49 -2.583 0.358 7.047 1.00 0.00 C ATOM 823 CG PHE A 49 -2.542 1.823 7.377 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.331 2.486 7.498 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.714 2.537 7.565 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.291 3.834 7.802 1.00 0.00 C ATOM 827 CE2 PHE A 49 -3.680 3.885 7.869 1.00 0.00 C ATOM 828 CZ PHE A 49 -2.467 4.534 7.986 1.00 0.00 C ATOM 0 H PHE A 49 -0.406 0.871 4.914 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.571 -0.948 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.584 -0.024 7.247 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.901 -0.175 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.408 1.944 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.666 2.035 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.341 4.339 7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.601 4.430 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.438 5.588 8.221 1.00 0.00 H new ATOM 838 N ALA A 50 -4.195 0.945 4.526 1.00 0.00 N ATOM 839 CA ALA A 50 -4.953 1.846 3.666 1.00 0.00 C ATOM 840 C ALA A 50 -6.452 1.605 3.803 1.00 0.00 C ATOM 841 O ALA A 50 -6.882 0.694 4.511 1.00 0.00 O ATOM 842 CB ALA A 50 -4.520 1.679 2.216 1.00 0.00 C ATOM 0 H ALA A 50 -4.760 0.241 5.000 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.746 2.869 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.094 2.357 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.458 1.909 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.698 0.651 1.899 1.00 0.00 H new ATOM 848 N PHE A 51 -7.244 2.428 3.123 1.00 0.00 N ATOM 849 CA PHE A 51 -8.696 2.305 3.171 1.00 0.00 C ATOM 850 C PHE A 51 -9.279 2.189 1.766 1.00 0.00 C ATOM 851 O PHE A 51 -9.010 3.020 0.899 1.00 0.00 O ATOM 852 CB PHE A 51 -9.307 3.509 3.890 1.00 0.00 C ATOM 853 CG PHE A 51 -8.723 3.753 5.253 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.584 4.526 5.405 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.314 3.208 6.382 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.044 4.753 6.657 1.00 0.00 C ATOM 857 CE2 PHE A 51 -8.779 3.432 7.636 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.642 4.204 7.774 1.00 0.00 C ATOM 0 H PHE A 51 -6.904 3.187 2.532 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.941 1.397 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.164 4.399 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.382 3.358 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.112 4.957 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.202 2.602 6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.156 5.359 6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.250 3.003 8.508 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.222 4.378 8.753 1.00 0.00 H new ATOM 868 N VAL A 52 -10.078 1.149 1.547 1.00 0.00 N ATOM 869 CA VAL A 52 -10.700 0.923 0.248 1.00 0.00 C ATOM 870 C VAL A 52 -12.213 1.101 0.324 1.00 0.00 C ATOM 871 O VAL A 52 -12.860 0.604 1.245 1.00 0.00 O ATOM 872 CB VAL A 52 -10.386 -0.487 -0.286 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.041 -0.702 -1.642 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.883 -0.702 -0.370 1.00 0.00 C ATOM 0 H VAL A 52 -10.310 0.450 2.253 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.284 1.664 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.796 -1.220 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.808 -1.704 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.121 -0.593 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.663 0.036 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.679 -1.703 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.447 0.036 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.444 -0.593 0.622 1.00 0.00 H new ATOM 884 N GLU A 53 -12.769 1.813 -0.650 1.00 0.00 N ATOM 885 CA GLU A 53 -14.206 2.057 -0.693 1.00 0.00 C ATOM 886 C GLU A 53 -14.895 1.081 -1.642 1.00 0.00 C ATOM 887 O GLU A 53 -14.367 0.753 -2.705 1.00 0.00 O ATOM 888 CB GLU A 53 -14.489 3.496 -1.129 1.00 0.00 C ATOM 889 CG GLU A 53 -15.968 3.846 -1.147 1.00 0.00 C ATOM 890 CD GLU A 53 -16.594 3.808 0.233 1.00 0.00 C ATOM 891 OE1 GLU A 53 -16.565 2.733 0.867 1.00 0.00 O ATOM 892 OE2 GLU A 53 -17.112 4.853 0.679 1.00 0.00 O ATOM 0 H GLU A 53 -12.247 2.231 -1.420 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.605 1.904 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.971 4.179 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.075 3.653 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.097 4.841 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.494 3.150 -1.800 1.00 0.00 H new ATOM 899 N PHE A 54 -16.079 0.620 -1.251 1.00 0.00 N ATOM 900 CA PHE A 54 -16.841 -0.319 -2.066 1.00 0.00 C ATOM 901 C PHE A 54 -18.132 0.320 -2.569 1.00 0.00 C ATOM 902 O PHE A 54 -18.784 1.074 -1.848 1.00 0.00 O ATOM 903 CB PHE A 54 -17.162 -1.580 -1.261 1.00 0.00 C ATOM 904 CG PHE A 54 -16.019 -2.551 -1.184 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.758 -2.126 -0.796 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.204 -3.887 -1.501 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.703 -3.017 -0.724 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.153 -4.782 -1.430 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.901 -4.346 -1.042 1.00 0.00 C ATOM 0 H PHE A 54 -16.531 0.882 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.232 -0.591 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.452 -1.292 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.022 -2.078 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.598 -1.087 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.180 -4.233 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.725 -2.674 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.311 -5.821 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.078 -5.044 -0.987 1.00 0.00 H new ATOM 919 N GLU A 55 -18.493 0.012 -3.811 1.00 0.00 N ATOM 920 CA GLU A 55 -19.705 0.557 -4.411 1.00 0.00 C ATOM 921 C GLU A 55 -20.933 0.198 -3.579 1.00 0.00 C ATOM 922 O GLU A 55 -21.935 0.914 -3.589 1.00 0.00 O ATOM 923 CB GLU A 55 -19.872 0.036 -5.840 1.00 0.00 C ATOM 924 CG GLU A 55 -20.755 0.915 -6.709 1.00 0.00 C ATOM 925 CD GLU A 55 -19.976 2.007 -7.416 1.00 0.00 C ATOM 926 OE1 GLU A 55 -18.969 1.683 -8.079 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.374 3.185 -7.305 1.00 0.00 O ATOM 0 H GLU A 55 -17.964 -0.611 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.611 1.643 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.889 -0.049 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.295 -0.968 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.260 0.296 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.530 1.369 -6.091 1.00 0.00 H new ATOM 934 N LEU A 56 -20.848 -0.916 -2.861 1.00 0.00 N ATOM 935 CA LEU A 56 -21.952 -1.373 -2.023 1.00 0.00 C ATOM 936 C LEU A 56 -21.452 -1.792 -0.644 1.00 0.00 C ATOM 937 O LEU A 56 -20.258 -2.015 -0.448 1.00 0.00 O ATOM 938 CB LEU A 56 -22.676 -2.542 -2.693 1.00 0.00 C ATOM 939 CG LEU A 56 -23.191 -2.289 -4.110 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.580 -3.599 -4.778 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.371 -1.329 -4.087 1.00 0.00 C ATOM 0 H LEU A 56 -20.026 -1.520 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.649 -0.544 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.998 -3.395 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.521 -2.827 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.389 -1.832 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.944 -3.399 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -22.710 -4.254 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.365 -4.084 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.724 -1.161 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.176 -1.757 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.060 -0.380 -3.650 1.00 0.00 H new ATOM 953 N ALA A 57 -22.374 -1.897 0.307 1.00 0.00 N ATOM 954 CA ALA A 57 -22.028 -2.294 1.666 1.00 0.00 C ATOM 955 C ALA A 57 -21.871 -3.807 1.773 1.00 0.00 C ATOM 956 O ALA A 57 -20.967 -4.300 2.447 1.00 0.00 O ATOM 957 CB ALA A 57 -23.083 -1.800 2.645 1.00 0.00 C ATOM 0 H ALA A 57 -23.367 -1.713 0.161 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.071 -1.837 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.812 -2.104 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.144 -0.713 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.050 -2.229 2.385 1.00 0.00 H new ATOM 963 N GLU A 58 -22.759 -4.538 1.106 1.00 0.00 N ATOM 964 CA GLU A 58 -22.718 -5.996 1.129 1.00 0.00 C ATOM 965 C GLU A 58 -21.383 -6.511 0.600 1.00 0.00 C ATOM 966 O GLU A 58 -20.740 -7.354 1.225 1.00 0.00 O ATOM 967 CB GLU A 58 -23.866 -6.573 0.297 1.00 0.00 C ATOM 968 CG GLU A 58 -23.913 -6.042 -1.126 1.00 0.00 C ATOM 969 CD GLU A 58 -25.163 -6.474 -1.868 1.00 0.00 C ATOM 970 OE1 GLU A 58 -25.182 -7.607 -2.391 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.123 -5.676 -1.926 1.00 0.00 O ATOM 0 H GLU A 58 -23.514 -4.145 0.544 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.829 -6.321 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.773 -7.659 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.811 -6.348 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.865 -4.953 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.034 -6.390 -1.669 1.00 0.00 H new ATOM 978 N ASP A 59 -20.973 -5.999 -0.555 1.00 0.00 N ATOM 979 CA ASP A 59 -19.715 -6.407 -1.169 1.00 0.00 C ATOM 980 C ASP A 59 -18.543 -6.150 -0.226 1.00 0.00 C ATOM 981 O ASP A 59 -17.592 -6.930 -0.177 1.00 0.00 O ATOM 982 CB ASP A 59 -19.499 -5.659 -2.486 1.00 0.00 C ATOM 983 CG ASP A 59 -20.106 -6.386 -3.670 1.00 0.00 C ATOM 984 OD1 ASP A 59 -19.727 -7.553 -3.908 1.00 0.00 O ATOM 985 OD2 ASP A 59 -20.959 -5.789 -4.358 1.00 0.00 O ATOM 0 H ASP A 59 -21.494 -5.300 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.768 -7.477 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.937 -4.663 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.430 -5.526 -2.654 1.00 0.00 H new ATOM 990 N ALA A 60 -18.618 -5.052 0.518 1.00 0.00 N ATOM 991 CA ALA A 60 -17.564 -4.694 1.460 1.00 0.00 C ATOM 992 C ALA A 60 -17.425 -5.746 2.555 1.00 0.00 C ATOM 993 O ALA A 60 -16.332 -6.253 2.806 1.00 0.00 O ATOM 994 CB ALA A 60 -17.844 -3.328 2.070 1.00 0.00 C ATOM 0 H ALA A 60 -19.397 -4.395 0.487 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.622 -4.650 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.050 -3.073 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.885 -2.578 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.798 -3.353 2.596 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.539 -6.069 3.203 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.541 -7.062 4.271 1.00 0.00 C ATOM 1002 C ALA A 61 -17.968 -8.389 3.787 1.00 0.00 C ATOM 1003 O ALA A 61 -17.169 -9.020 4.478 1.00 0.00 O ATOM 1004 CB ALA A 61 -19.951 -7.258 4.807 1.00 0.00 C ATOM 0 H ALA A 61 -19.452 -5.658 3.007 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.906 -6.694 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -19.937 -8.002 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.326 -6.313 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.602 -7.600 4.002 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.382 -8.808 2.595 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.908 -10.060 2.019 1.00 0.00 C ATOM 1012 C ALA A 62 -16.398 -10.031 1.808 1.00 0.00 C ATOM 1013 O ALA A 62 -15.714 -11.034 2.008 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.621 -10.339 0.704 1.00 0.00 C ATOM 0 H ALA A 62 -19.044 -8.299 2.010 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.135 -10.863 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.257 -11.277 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.694 -10.412 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.423 -9.528 0.004 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.884 -8.875 1.401 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.455 -8.715 1.165 1.00 0.00 C ATOM 1022 C ALA A 63 -13.659 -8.930 2.447 1.00 0.00 C ATOM 1023 O ALA A 63 -12.625 -9.599 2.442 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.166 -7.337 0.587 1.00 0.00 C ATOM 0 H ALA A 63 -16.437 -8.035 1.228 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.145 -9.472 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.095 -7.232 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.698 -7.220 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.498 -6.571 1.288 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.145 -8.357 3.543 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.478 -8.487 4.833 1.00 0.00 C ATOM 1032 C ILE A 64 -13.492 -9.933 5.316 1.00 0.00 C ATOM 1033 O ILE A 64 -12.445 -10.569 5.435 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.138 -7.595 5.900 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.231 -6.151 5.403 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.357 -7.662 7.204 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.061 -5.256 6.296 1.00 0.00 C ATOM 0 H ILE A 64 -14.998 -7.798 3.564 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.447 -8.165 4.689 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.148 -7.962 6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.226 -5.738 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.659 -6.147 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.836 -7.026 7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.338 -8.691 7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.337 -7.317 7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.083 -4.248 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.077 -5.645 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.622 -5.229 7.293 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.686 -10.448 5.591 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.838 -11.821 6.058 1.00 0.00 C ATOM 1051 C ASP A 65 -13.853 -12.747 5.351 1.00 0.00 C ATOM 1052 O ASP A 65 -13.455 -13.776 5.895 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.270 -12.306 5.826 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.429 -13.789 6.096 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -15.743 -14.305 7.004 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.240 -14.434 5.400 1.00 0.00 O ATOM 0 H ASP A 65 -15.563 -9.935 5.498 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.625 -11.841 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.949 -11.747 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.560 -12.094 4.797 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.465 -12.374 4.136 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.528 -13.173 3.354 1.00 0.00 C ATOM 1063 C ASN A 66 -11.103 -12.653 3.517 1.00 0.00 C ATOM 1064 O ASN A 66 -10.283 -13.263 4.202 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.923 -13.158 1.876 1.00 0.00 C ATOM 1066 CG ASN A 66 -14.221 -13.898 1.617 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -14.270 -14.823 0.806 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.281 -13.492 2.307 1.00 0.00 N ATOM 0 H ASN A 66 -13.785 -11.524 3.672 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.566 -14.198 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.023 -12.126 1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.126 -13.610 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.182 -13.951 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.194 -12.721 2.969 1.00 0.00 H new ATOM 1075 N MET A 67 -10.816 -11.521 2.882 1.00 0.00 N ATOM 1076 CA MET A 67 -9.490 -10.918 2.957 1.00 0.00 C ATOM 1077 C MET A 67 -8.888 -11.101 4.347 1.00 0.00 C ATOM 1078 O MET A 67 -7.673 -11.223 4.496 1.00 0.00 O ATOM 1079 CB MET A 67 -9.563 -9.430 2.612 1.00 0.00 C ATOM 1080 CG MET A 67 -9.919 -9.159 1.159 1.00 0.00 C ATOM 1081 SD MET A 67 -8.881 -10.080 0.007 1.00 0.00 S ATOM 1082 CE MET A 67 -7.262 -9.435 0.420 1.00 0.00 C ATOM 0 H MET A 67 -11.483 -11.003 2.310 1.00 0.00 H new ATOM 0 HA MET A 67 -8.848 -11.420 2.233 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.303 -8.953 3.254 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.602 -8.966 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.964 -9.421 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.821 -8.092 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.876 -8.857 -0.419 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.339 -8.794 1.298 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.584 -10.262 0.633 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.747 -11.118 5.361 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.299 -11.285 6.739 1.00 0.00 C ATOM 1094 C ASN A 68 -8.206 -12.346 6.831 1.00 0.00 C ATOM 1095 O ASN A 68 -8.434 -13.515 6.521 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.476 -11.672 7.637 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.669 -13.173 7.723 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -11.120 -13.808 6.770 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -10.328 -13.748 8.871 1.00 0.00 N ATOM 0 H ASN A 68 -10.757 -11.018 5.255 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.888 -10.334 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.313 -11.272 8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.388 -11.213 7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.436 -14.755 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.958 -13.182 9.635 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.018 -11.928 7.259 1.00 0.00 N ATOM 1107 CA GLU A 69 -5.890 -12.842 7.391 1.00 0.00 C ATOM 1108 C GLU A 69 -5.582 -13.523 6.060 1.00 0.00 C ATOM 1109 O GLU A 69 -5.248 -14.707 6.019 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.182 -13.897 8.460 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.656 -13.311 9.780 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.259 -14.356 10.699 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.000 -15.558 10.480 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -7.989 -13.972 11.636 1.00 0.00 O ATOM 0 H GLU A 69 -6.813 -10.963 7.520 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.018 -12.261 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.941 -14.583 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.280 -14.484 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.816 -12.831 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.396 -12.535 9.584 1.00 0.00 H new ATOM 1121 N SER A 70 -5.698 -12.765 4.974 1.00 0.00 N ATOM 1122 CA SER A 70 -5.437 -13.295 3.641 1.00 0.00 C ATOM 1123 C SER A 70 -3.939 -13.333 3.355 1.00 0.00 C ATOM 1124 O SER A 70 -3.126 -12.966 4.203 1.00 0.00 O ATOM 1125 CB SER A 70 -6.148 -12.448 2.584 1.00 0.00 C ATOM 1126 OG SER A 70 -5.724 -11.098 2.643 1.00 0.00 O ATOM 0 H SER A 70 -5.971 -11.782 4.991 1.00 0.00 H new ATOM 0 HA SER A 70 -5.823 -14.314 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.946 -12.853 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.226 -12.501 2.736 1.00 0.00 H new ATOM 0 HG SER A 70 -6.248 -10.620 3.319 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.583 -13.780 2.155 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.182 -13.867 1.758 1.00 0.00 C ATOM 1134 C GLU A 71 -1.894 -12.945 0.576 1.00 0.00 C ATOM 1135 O GLU A 71 -2.320 -13.207 -0.549 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.821 -15.308 1.394 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.332 -15.528 1.187 1.00 0.00 C ATOM 1138 CD GLU A 71 0.061 -16.990 1.282 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.252 -17.480 2.415 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.178 -17.644 0.225 1.00 0.00 O ATOM 0 H GLU A 71 -4.244 -14.087 1.442 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.571 -13.549 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.172 -15.972 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.351 -15.588 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.044 -15.141 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.223 -14.957 1.932 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.169 -11.864 0.840 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.823 -10.901 -0.200 1.00 0.00 C ATOM 1149 C LEU A 72 0.678 -10.629 -0.213 1.00 0.00 C ATOM 1150 O LEU A 72 1.285 -10.388 0.830 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.588 -9.594 0.013 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.404 -8.525 -1.065 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.792 -9.071 -2.431 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.221 -7.285 -0.733 1.00 0.00 C ATOM 0 H LEU A 72 -0.809 -11.632 1.766 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.105 -11.327 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.650 -9.826 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.285 -9.171 0.971 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.351 -8.245 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.654 -8.296 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.163 -9.928 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.837 -9.381 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.077 -6.535 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.277 -7.550 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.895 -6.880 0.225 1.00 0.00 H new ATOM 1166 N PHE A 73 1.270 -10.667 -1.402 1.00 0.00 N ATOM 1167 CA PHE A 73 2.700 -10.424 -1.552 1.00 0.00 C ATOM 1168 C PHE A 73 3.511 -11.438 -0.752 1.00 0.00 C ATOM 1169 O PHE A 73 4.638 -11.163 -0.340 1.00 0.00 O ATOM 1170 CB PHE A 73 3.047 -9.004 -1.098 1.00 0.00 C ATOM 1171 CG PHE A 73 2.963 -7.986 -2.199 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.808 -7.853 -2.952 1.00 0.00 C ATOM 1173 CD2 PHE A 73 4.041 -7.161 -2.482 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.727 -6.916 -3.965 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.966 -6.223 -3.493 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.808 -6.101 -4.237 1.00 0.00 C ATOM 0 H PHE A 73 0.782 -10.864 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 73 2.954 -10.534 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.372 -8.713 -0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.056 -8.999 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.960 -8.489 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.950 -7.253 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.820 -6.821 -4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.812 -5.585 -3.702 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.749 -5.370 -5.030 1.00 0.00 H new ATOM 1186 N GLY A 74 2.929 -12.614 -0.535 1.00 0.00 N ATOM 1187 CA GLY A 74 3.611 -13.652 0.216 1.00 0.00 C ATOM 1188 C GLY A 74 3.612 -13.384 1.708 1.00 0.00 C ATOM 1189 O GLY A 74 4.466 -13.889 2.436 1.00 0.00 O ATOM 0 H GLY A 74 1.998 -12.866 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.130 -14.611 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.639 -13.734 -0.136 1.00 0.00 H new ATOM 1193 N ARG A 75 2.653 -12.584 2.164 1.00 0.00 N ATOM 1194 CA ARG A 75 2.548 -12.247 3.578 1.00 0.00 C ATOM 1195 C ARG A 75 1.087 -12.170 4.012 1.00 0.00 C ATOM 1196 O ARG A 75 0.184 -12.082 3.179 1.00 0.00 O ATOM 1197 CB ARG A 75 3.246 -10.915 3.860 1.00 0.00 C ATOM 1198 CG ARG A 75 2.332 -9.708 3.723 1.00 0.00 C ATOM 1199 CD ARG A 75 3.114 -8.457 3.353 1.00 0.00 C ATOM 1200 NE ARG A 75 4.085 -8.712 2.292 1.00 0.00 N ATOM 1201 CZ ARG A 75 5.172 -7.974 2.098 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.426 -6.941 2.890 1.00 0.00 N ATOM 1203 NH2 ARG A 75 6.008 -8.268 1.110 1.00 0.00 N ATOM 0 H ARG A 75 1.938 -12.158 1.574 1.00 0.00 H new ATOM 0 HA ARG A 75 3.038 -13.035 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.657 -10.936 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.087 -10.803 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.578 -9.906 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.802 -9.543 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.422 -7.679 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.631 -8.079 4.235 1.00 0.00 H new ATOM 0 HE ARG A 75 3.919 -9.500 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.786 -6.712 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.262 -6.376 2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.816 -9.062 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.842 -7.700 0.962 1.00 0.00 H new ATOM 1217 N THR A 76 0.862 -12.205 5.322 1.00 0.00 N ATOM 1218 CA THR A 76 -0.489 -12.141 5.867 1.00 0.00 C ATOM 1219 C THR A 76 -0.900 -10.700 6.149 1.00 0.00 C ATOM 1220 O THR A 76 -0.096 -9.898 6.624 1.00 0.00 O ATOM 1221 CB THR A 76 -0.610 -12.961 7.165 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.256 -14.326 6.917 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.026 -12.892 7.718 1.00 0.00 C ATOM 0 H THR A 76 1.598 -12.277 6.025 1.00 0.00 H new ATOM 0 HA THR A 76 -1.154 -12.565 5.115 1.00 0.00 H new ATOM 0 HB THR A 76 0.073 -12.537 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.334 -14.840 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.088 -13.478 8.635 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.283 -11.855 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.724 -13.293 6.983 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.155 -10.380 5.854 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.673 -9.036 6.078 1.00 0.00 C ATOM 1233 C ILE A 77 -3.946 -9.070 6.917 1.00 0.00 C ATOM 1234 O ILE A 77 -4.643 -10.083 6.964 1.00 0.00 O ATOM 1235 CB ILE A 77 -2.966 -8.316 4.749 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -3.807 -9.210 3.835 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.667 -7.921 4.063 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.377 -8.483 2.637 1.00 0.00 C ATOM 0 H ILE A 77 -2.832 -11.033 5.459 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.901 -8.486 6.616 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.532 -7.409 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.193 -10.041 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.626 -9.639 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.891 -7.413 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.102 -7.252 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.076 -8.814 3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.961 -9.178 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.018 -7.669 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.563 -8.077 2.036 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.244 -7.955 7.576 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.434 -7.856 8.412 1.00 0.00 C ATOM 1252 C ARG A 78 -6.445 -6.887 7.807 1.00 0.00 C ATOM 1253 O ARG A 78 -6.087 -5.796 7.364 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.056 -7.401 9.823 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.274 -8.440 10.609 1.00 0.00 C ATOM 1256 CD ARG A 78 -4.517 -8.305 12.105 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.362 -8.734 12.888 1.00 0.00 N ATOM 1258 CZ ARG A 78 -2.209 -8.075 12.918 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -2.059 -6.962 12.212 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -1.203 -8.528 13.655 1.00 0.00 N ATOM 0 H ARG A 78 -3.677 -7.107 7.547 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.892 -8.844 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.464 -6.488 9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.965 -7.152 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.562 -9.439 10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.210 -8.331 10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.750 -7.267 12.342 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.386 -8.899 12.386 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.445 -9.586 13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.830 -6.610 11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.173 -6.458 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.314 -9.383 14.199 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.318 -8.021 13.677 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.711 -7.294 7.790 1.00 0.00 N ATOM 1275 CA VAL A 79 -8.774 -6.463 7.240 1.00 0.00 C ATOM 1276 C VAL A 79 -9.927 -6.320 8.228 1.00 0.00 C ATOM 1277 O VAL A 79 -10.261 -7.260 8.947 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.314 -7.042 5.919 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.278 -6.067 5.262 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.166 -7.384 4.980 1.00 0.00 C ATOM 0 H VAL A 79 -8.025 -8.195 8.151 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.340 -5.482 7.047 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.859 -7.960 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.649 -6.494 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.116 -5.876 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.761 -5.131 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.565 -7.792 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.592 -6.483 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.518 -8.122 5.452 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.532 -5.137 8.256 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.648 -4.870 9.156 1.00 0.00 C ATOM 1292 C ASN A 80 -12.296 -3.527 8.835 1.00 0.00 C ATOM 1293 O ASN A 80 -11.748 -2.726 8.076 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.173 -4.886 10.610 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.321 -5.011 11.592 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -12.827 -4.012 12.103 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.738 -6.243 11.861 1.00 0.00 N ATOM 0 H ASN A 80 -10.268 -4.348 7.666 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.391 -5.655 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.483 -5.717 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.618 -3.971 10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.507 -6.390 12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.289 -7.042 11.414 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.465 -3.286 9.419 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.188 -2.039 9.197 1.00 0.00 C ATOM 1306 C LEU A 81 -13.382 -0.845 9.698 1.00 0.00 C ATOM 1307 O LEU A 81 -12.753 -0.907 10.753 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.547 -2.082 9.899 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.519 -3.158 9.415 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.728 -3.238 10.333 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -16.952 -2.879 7.983 1.00 0.00 C ATOM 0 H LEU A 81 -13.932 -3.938 10.050 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.343 -1.924 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.378 -2.227 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.025 -1.110 9.781 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.007 -4.120 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.408 -4.009 9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.402 -3.485 11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.242 -2.277 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.644 -3.655 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.446 -1.908 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.077 -2.874 7.333 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.408 0.242 8.933 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.683 1.452 9.302 1.00 0.00 C ATOM 1325 C ALA A 82 -13.029 1.889 10.721 1.00 0.00 C ATOM 1326 O ALA A 82 -14.197 1.907 11.109 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.985 2.570 8.315 1.00 0.00 C ATOM 0 H ALA A 82 -13.923 0.309 8.055 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.616 1.231 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.437 3.467 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.680 2.264 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.054 2.781 8.320 1.00 0.00 H new