USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 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 57 ASN : amide:sc= 0.125 K(o=-0.85,f=-11!) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.976 K(o=-0.85,f=-3.1!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=-0.43) USER MOD Single : A 26 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.62) USER MOD Single : A 29 SER OG : rot -160:sc= -0.474 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -31:sc= -0.0975 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00228 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.361 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 55 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.018) USER MOD Single : A 65 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.32) USER MOD Single : A 69 TYR OH : rot -106:sc= 1.26 USER MOD Single : A 70 HIS : no HE2:sc= -3.55! C(o=-3.6!,f=-4.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.76 K(o=-0.76,f=-2.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -81:sc= 1.19 USER MOD Single : A 84 THR OG1 : rot -16:sc= 0.754 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.617 K(o=-0.62,f=-5.1!) USER MOD Single : A 95 SER OG : rot 14:sc= 0.88 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.950 -7.508 10.099 1.00 0.00 N ATOM 174 CA VAL A 14 -15.304 -6.264 9.426 1.00 0.00 C ATOM 175 C VAL A 14 -16.292 -6.516 8.292 1.00 0.00 C ATOM 176 O VAL A 14 -16.182 -7.504 7.566 1.00 0.00 O ATOM 177 CB VAL A 14 -14.058 -5.558 8.859 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.462 -4.358 8.016 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.126 -5.138 9.986 1.00 0.00 C ATOM 0 HA VAL A 14 -15.768 -5.620 10.173 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.524 -6.259 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.569 -3.872 7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.088 -4.690 7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.019 -3.652 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.251 -4.641 9.568 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.648 -4.453 10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.810 -6.019 10.545 1.00 0.00 H new ATOM 189 N HIS A 15 -17.257 -5.614 8.144 1.00 0.00 N ATOM 190 CA HIS A 15 -18.265 -5.737 7.097 1.00 0.00 C ATOM 191 C HIS A 15 -18.390 -4.438 6.307 1.00 0.00 C ATOM 192 O HIS A 15 -18.868 -3.429 6.826 1.00 0.00 O ATOM 193 CB HIS A 15 -19.618 -6.111 7.703 1.00 0.00 C ATOM 194 CG HIS A 15 -19.717 -7.549 8.108 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.068 -8.565 7.439 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.393 -8.140 9.121 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.341 -9.719 8.022 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.143 -9.488 9.046 1.00 0.00 N ATOM 0 H HIS A 15 -17.362 -4.790 8.736 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.950 -6.527 6.415 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.802 -5.483 8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.404 -5.891 6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.014 -7.644 9.852 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.972 -10.686 7.714 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.516 -10.196 9.678 1.00 0.00 H new ATOM 206 N ILE A 16 -17.955 -4.470 5.052 1.00 0.00 N ATOM 207 CA ILE A 16 -18.018 -3.295 4.191 1.00 0.00 C ATOM 208 C ILE A 16 -19.451 -2.792 4.053 1.00 0.00 C ATOM 209 O ILE A 16 -20.264 -3.390 3.349 1.00 0.00 O ATOM 210 CB ILE A 16 -17.453 -3.593 2.790 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.003 -4.069 2.892 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.551 -2.358 1.907 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.060 -3.021 3.441 1.00 0.00 C ATOM 0 H ILE A 16 -17.555 -5.297 4.608 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.408 -2.524 4.663 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.045 -4.388 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.963 -4.952 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.659 -4.374 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.148 -2.584 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.595 -2.060 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.980 -1.544 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.050 -3.428 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.071 -2.146 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.379 -2.733 4.443 1.00 0.00 H new ATOM 225 N ILE A 17 -19.752 -1.688 4.729 1.00 0.00 N ATOM 226 CA ILE A 17 -21.085 -1.102 4.679 1.00 0.00 C ATOM 227 C ILE A 17 -21.277 -0.278 3.411 1.00 0.00 C ATOM 228 O ILE A 17 -22.140 -0.581 2.587 1.00 0.00 O ATOM 229 CB ILE A 17 -21.354 -0.208 5.904 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.928 -0.923 7.188 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.824 0.176 5.968 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.143 -0.099 8.438 1.00 0.00 C ATOM 0 H ILE A 17 -19.090 -1.182 5.318 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.793 -1.931 4.681 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.765 0.704 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.485 -1.856 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.873 -1.188 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.997 0.808 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.097 0.721 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.432 -0.725 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.819 -0.668 9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.564 0.822 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.201 0.144 8.536 1.00 0.00 H new ATOM 244 N GLU A 18 -20.465 0.763 3.260 1.00 0.00 N ATOM 245 CA GLU A 18 -20.545 1.630 2.090 1.00 0.00 C ATOM 246 C GLU A 18 -19.193 1.725 1.389 1.00 0.00 C ATOM 247 O GLU A 18 -18.434 2.670 1.606 1.00 0.00 O ATOM 248 CB GLU A 18 -21.021 3.027 2.494 1.00 0.00 C ATOM 249 CG GLU A 18 -22.233 3.016 3.410 1.00 0.00 C ATOM 250 CD GLU A 18 -22.693 4.411 3.787 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.101 5.388 3.283 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.647 4.525 4.585 1.00 0.00 O ATOM 0 H GLU A 18 -19.745 1.027 3.932 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.265 1.195 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.205 3.550 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.261 3.594 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.050 2.489 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.994 2.459 4.316 1.00 0.00 H new ATOM 259 N ASP A 19 -18.898 0.738 0.549 1.00 0.00 N ATOM 260 CA ASP A 19 -17.638 0.709 -0.184 1.00 0.00 C ATOM 261 C ASP A 19 -17.436 2.002 -0.968 1.00 0.00 C ATOM 262 O ASP A 19 -18.390 2.731 -1.241 1.00 0.00 O ATOM 263 CB ASP A 19 -17.604 -0.489 -1.134 1.00 0.00 C ATOM 264 CG ASP A 19 -16.191 -0.896 -1.502 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.579 -0.216 -2.352 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.696 -1.895 -0.939 1.00 0.00 O ATOM 0 H ASP A 19 -19.515 -0.052 0.359 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.827 0.613 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.112 -1.333 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.157 -0.245 -2.041 1.00 0.00 H new ATOM 271 N LEU A 20 -16.187 2.282 -1.326 1.00 0.00 N ATOM 272 CA LEU A 20 -15.859 3.488 -2.078 1.00 0.00 C ATOM 273 C LEU A 20 -16.665 3.560 -3.371 1.00 0.00 C ATOM 274 O LEU A 20 -17.434 2.652 -3.685 1.00 0.00 O ATOM 275 CB LEU A 20 -14.362 3.524 -2.394 1.00 0.00 C ATOM 276 CG LEU A 20 -13.421 3.340 -1.203 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.256 2.437 -1.578 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.916 4.688 -0.709 1.00 0.00 C ATOM 0 H LEU A 20 -15.385 1.690 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.116 4.351 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.146 2.745 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.134 4.479 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.977 2.865 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.597 2.317 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.635 1.462 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.700 2.884 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.248 4.538 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.376 5.191 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.762 5.302 -0.400 1.00 0.00 H new ATOM 290 N GLU A 21 -16.481 4.644 -4.118 1.00 0.00 N ATOM 291 CA GLU A 21 -17.190 4.833 -5.377 1.00 0.00 C ATOM 292 C GLU A 21 -16.209 5.017 -6.532 1.00 0.00 C ATOM 293 O GLU A 21 -15.992 4.102 -7.328 1.00 0.00 O ATOM 294 CB GLU A 21 -18.121 6.044 -5.287 1.00 0.00 C ATOM 295 CG GLU A 21 -17.696 7.063 -4.243 1.00 0.00 C ATOM 296 CD GLU A 21 -18.191 8.461 -4.557 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.229 8.582 -5.241 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.542 9.433 -4.119 1.00 0.00 O ATOM 0 H GLU A 21 -15.847 5.404 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.785 3.940 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.165 6.531 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.129 5.700 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.075 6.758 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.608 7.074 -4.173 1.00 0.00 H new ATOM 305 N ASP A 22 -15.620 6.204 -6.617 1.00 0.00 N ATOM 306 CA ASP A 22 -14.662 6.509 -7.673 1.00 0.00 C ATOM 307 C ASP A 22 -14.152 7.941 -7.548 1.00 0.00 C ATOM 308 O ASP A 22 -14.760 8.771 -6.871 1.00 0.00 O ATOM 309 CB ASP A 22 -15.302 6.300 -9.047 1.00 0.00 C ATOM 310 CG ASP A 22 -16.693 6.896 -9.134 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.806 8.091 -9.475 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.669 6.166 -8.860 1.00 0.00 O ATOM 0 H ASP A 22 -15.789 6.972 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.815 5.831 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.669 6.750 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.353 5.233 -9.262 1.00 0.00 H new ATOM 317 N VAL A 23 -13.032 8.225 -8.204 1.00 0.00 N ATOM 318 CA VAL A 23 -12.440 9.557 -8.166 1.00 0.00 C ATOM 319 C VAL A 23 -11.690 9.862 -9.458 1.00 0.00 C ATOM 320 O VAL A 23 -11.074 8.978 -10.054 1.00 0.00 O ATOM 321 CB VAL A 23 -11.473 9.708 -6.977 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.840 11.091 -6.975 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.196 9.442 -5.666 1.00 0.00 C ATOM 0 H VAL A 23 -12.516 7.550 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.261 10.265 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.677 8.971 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.160 11.179 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.286 11.239 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.620 11.848 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.498 9.553 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.013 10.154 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.596 8.428 -5.670 1.00 0.00 H new ATOM 333 N ASP A 24 -11.747 11.118 -9.886 1.00 0.00 N ATOM 334 CA ASP A 24 -11.072 11.541 -11.108 1.00 0.00 C ATOM 335 C ASP A 24 -10.729 13.027 -11.052 1.00 0.00 C ATOM 336 O ASP A 24 -11.600 13.883 -11.202 1.00 0.00 O ATOM 337 CB ASP A 24 -11.950 11.254 -12.327 1.00 0.00 C ATOM 338 CG ASP A 24 -13.327 11.877 -12.208 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.197 11.275 -11.544 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.535 12.968 -12.779 1.00 0.00 O ATOM 0 H ASP A 24 -12.254 11.861 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.145 10.975 -11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.459 11.634 -13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.052 10.176 -12.452 1.00 0.00 H new ATOM 345 N VAL A 25 -9.452 13.326 -10.834 1.00 0.00 N ATOM 346 CA VAL A 25 -8.992 14.707 -10.758 1.00 0.00 C ATOM 347 C VAL A 25 -7.563 14.840 -11.272 1.00 0.00 C ATOM 348 O VAL A 25 -6.827 13.857 -11.346 1.00 0.00 O ATOM 349 CB VAL A 25 -9.059 15.242 -9.315 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.455 15.057 -8.740 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.019 14.554 -8.443 1.00 0.00 C ATOM 0 H VAL A 25 -8.718 12.630 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.657 15.297 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.838 16.309 -9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.482 15.441 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.175 15.600 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.709 13.997 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.080 14.944 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.207 13.480 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.024 14.744 -8.845 1.00 0.00 H new ATOM 361 N GLN A 26 -7.178 16.062 -11.625 1.00 0.00 N ATOM 362 CA GLN A 26 -5.837 16.323 -12.133 1.00 0.00 C ATOM 363 C GLN A 26 -4.782 15.982 -11.085 1.00 0.00 C ATOM 364 O GLN A 26 -4.936 16.308 -9.908 1.00 0.00 O ATOM 365 CB GLN A 26 -5.703 17.789 -12.550 1.00 0.00 C ATOM 366 CG GLN A 26 -5.556 18.745 -11.377 1.00 0.00 C ATOM 367 CD GLN A 26 -6.288 20.054 -11.596 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.413 20.074 -12.096 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.651 21.158 -11.223 1.00 0.00 N ATOM 0 H GLN A 26 -7.776 16.887 -11.568 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.676 15.688 -13.004 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.838 17.894 -13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.579 18.074 -13.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.936 18.267 -10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.498 18.948 -11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.719 21.095 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.093 22.069 -11.347 1.00 0.00 H new ATOM 378 N GLU A 27 -3.713 15.325 -11.521 1.00 0.00 N ATOM 379 CA GLU A 27 -2.634 14.939 -10.619 1.00 0.00 C ATOM 380 C GLU A 27 -2.156 16.134 -9.800 1.00 0.00 C ATOM 381 O GLU A 27 -2.181 17.272 -10.268 1.00 0.00 O ATOM 382 CB GLU A 27 -1.464 14.349 -11.410 1.00 0.00 C ATOM 383 CG GLU A 27 -0.458 15.388 -11.875 1.00 0.00 C ATOM 384 CD GLU A 27 0.719 15.525 -10.929 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.618 16.316 -9.968 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.740 14.841 -11.149 1.00 0.00 O ATOM 0 H GLU A 27 -3.570 15.049 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.020 14.182 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.953 13.612 -10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.854 13.819 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.093 15.117 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.956 16.353 -11.971 1.00 0.00 H new ATOM 393 N GLY A 28 -1.720 15.867 -8.572 1.00 0.00 N ATOM 394 CA GLY A 28 -1.243 16.930 -7.706 1.00 0.00 C ATOM 395 C GLY A 28 -2.339 17.493 -6.823 1.00 0.00 C ATOM 396 O GLY A 28 -2.061 18.176 -5.837 1.00 0.00 O ATOM 0 H GLY A 28 -1.689 14.934 -8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.436 16.550 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.824 17.731 -8.315 1.00 0.00 H new ATOM 400 N SER A 29 -3.588 17.208 -7.176 1.00 0.00 N ATOM 401 CA SER A 29 -4.729 17.695 -6.411 1.00 0.00 C ATOM 402 C SER A 29 -5.017 16.782 -5.223 1.00 0.00 C ATOM 403 O SER A 29 -4.283 15.828 -4.967 1.00 0.00 O ATOM 404 CB SER A 29 -5.966 17.792 -7.306 1.00 0.00 C ATOM 405 OG SER A 29 -5.855 18.874 -8.215 1.00 0.00 O ATOM 0 H SER A 29 -3.835 16.642 -7.988 1.00 0.00 H new ATOM 0 HA SER A 29 -4.484 18.687 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.093 16.861 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.856 17.921 -6.689 1.00 0.00 H new ATOM 0 HG SER A 29 -6.745 19.117 -8.545 1.00 0.00 H new ATOM 411 N SER A 30 -6.092 17.082 -4.501 1.00 0.00 N ATOM 412 CA SER A 30 -6.476 16.292 -3.338 1.00 0.00 C ATOM 413 C SER A 30 -7.669 15.397 -3.659 1.00 0.00 C ATOM 414 O SER A 30 -8.813 15.850 -3.673 1.00 0.00 O ATOM 415 CB SER A 30 -6.815 17.209 -2.161 1.00 0.00 C ATOM 416 OG SER A 30 -7.096 18.525 -2.604 1.00 0.00 O ATOM 0 H SER A 30 -6.712 17.867 -4.701 1.00 0.00 H new ATOM 0 HA SER A 30 -5.632 15.659 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.675 16.812 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.981 17.228 -1.459 1.00 0.00 H new ATOM 0 HG SER A 30 -7.311 19.091 -1.833 1.00 0.00 H new ATOM 422 N ALA A 31 -7.393 14.123 -3.916 1.00 0.00 N ATOM 423 CA ALA A 31 -8.442 13.162 -4.236 1.00 0.00 C ATOM 424 C ALA A 31 -9.038 12.559 -2.968 1.00 0.00 C ATOM 425 O ALA A 31 -8.373 11.809 -2.253 1.00 0.00 O ATOM 426 CB ALA A 31 -7.897 12.066 -5.139 1.00 0.00 C ATOM 0 H ALA A 31 -6.451 13.732 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.236 13.690 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.691 11.356 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.525 12.508 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.083 11.548 -4.632 1.00 0.00 H new ATOM 432 N THR A 32 -10.295 12.891 -2.695 1.00 0.00 N ATOM 433 CA THR A 32 -10.980 12.384 -1.513 1.00 0.00 C ATOM 434 C THR A 32 -11.558 10.996 -1.765 1.00 0.00 C ATOM 435 O THR A 32 -12.136 10.736 -2.821 1.00 0.00 O ATOM 436 CB THR A 32 -12.116 13.327 -1.073 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.654 14.683 -1.073 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.620 12.958 0.314 1.00 0.00 C ATOM 0 H THR A 32 -10.860 13.509 -3.277 1.00 0.00 H new ATOM 0 HA THR A 32 -10.236 12.327 -0.718 1.00 0.00 H new ATOM 0 HB THR A 32 -12.939 13.223 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.382 15.277 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.422 13.638 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.997 11.935 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.803 13.036 1.031 1.00 0.00 H new ATOM 446 N PHE A 33 -11.398 10.107 -0.790 1.00 0.00 N ATOM 447 CA PHE A 33 -11.903 8.744 -0.907 1.00 0.00 C ATOM 448 C PHE A 33 -12.671 8.339 0.348 1.00 0.00 C ATOM 449 O PHE A 33 -12.083 7.878 1.326 1.00 0.00 O ATOM 450 CB PHE A 33 -10.750 7.769 -1.150 1.00 0.00 C ATOM 451 CG PHE A 33 -10.330 7.683 -2.590 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.017 6.871 -3.478 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.249 8.414 -3.055 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.634 6.790 -4.804 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.862 8.338 -4.380 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.555 7.524 -5.255 1.00 0.00 C ATOM 0 H PHE A 33 -10.922 10.306 0.090 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.585 8.708 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.894 8.074 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.045 6.778 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.862 6.295 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.702 9.050 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.178 6.153 -5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.019 8.914 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.253 7.462 -6.290 1.00 0.00 H new ATOM 466 N ARG A 34 -13.988 8.515 0.311 1.00 0.00 N ATOM 467 CA ARG A 34 -14.836 8.170 1.446 1.00 0.00 C ATOM 468 C ARG A 34 -15.264 6.707 1.379 1.00 0.00 C ATOM 469 O ARG A 34 -15.337 6.120 0.299 1.00 0.00 O ATOM 470 CB ARG A 34 -16.071 9.073 1.479 1.00 0.00 C ATOM 471 CG ARG A 34 -15.938 10.252 2.429 1.00 0.00 C ATOM 472 CD ARG A 34 -16.974 11.325 2.134 1.00 0.00 C ATOM 473 NE ARG A 34 -18.332 10.786 2.123 1.00 0.00 N ATOM 474 CZ ARG A 34 -19.386 11.459 1.675 1.00 0.00 C ATOM 475 NH1 ARG A 34 -19.239 12.689 1.202 1.00 0.00 N ATOM 476 NH2 ARG A 34 -20.590 10.901 1.699 1.00 0.00 N ATOM 0 H ARG A 34 -14.490 8.894 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.259 8.321 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.264 9.447 0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.937 8.479 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.052 9.907 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.938 10.677 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.903 12.113 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.758 11.782 1.169 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.479 9.841 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.315 13.120 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.050 13.204 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.706 9.955 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.399 11.418 1.355 1.00 0.00 H new ATOM 490 N CYS A 35 -15.545 6.125 2.540 1.00 0.00 N ATOM 491 CA CYS A 35 -15.964 4.730 2.614 1.00 0.00 C ATOM 492 C CYS A 35 -16.398 4.367 4.030 1.00 0.00 C ATOM 493 O CYS A 35 -15.695 4.654 4.999 1.00 0.00 O ATOM 494 CB CYS A 35 -14.828 3.810 2.165 1.00 0.00 C ATOM 495 SG CYS A 35 -13.282 4.049 3.071 1.00 0.00 S ATOM 0 H CYS A 35 -15.490 6.597 3.442 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.815 4.597 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.147 2.774 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.643 3.971 1.103 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.184 5.291 3.441 1.00 0.00 H new ATOM 501 N ARG A 36 -17.563 3.736 4.143 1.00 0.00 N ATOM 502 CA ARG A 36 -18.093 3.337 5.441 1.00 0.00 C ATOM 503 C ARG A 36 -17.873 1.847 5.683 1.00 0.00 C ATOM 504 O ARG A 36 -18.189 1.016 4.830 1.00 0.00 O ATOM 505 CB ARG A 36 -19.584 3.665 5.530 1.00 0.00 C ATOM 506 CG ARG A 36 -20.113 3.715 6.954 1.00 0.00 C ATOM 507 CD ARG A 36 -21.612 3.460 7.000 1.00 0.00 C ATOM 508 NE ARG A 36 -22.180 3.772 8.309 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.479 3.947 8.524 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.340 3.839 7.522 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.919 4.228 9.744 1.00 0.00 N ATOM 0 H ARG A 36 -18.157 3.490 3.351 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.559 3.895 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.765 4.627 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.146 2.918 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.597 2.971 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.895 4.690 7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.106 4.062 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.810 2.416 6.759 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.544 3.860 9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.005 3.621 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.337 3.974 7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.259 4.310 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.917 4.362 9.908 1.00 0.00 H new ATOM 525 N ILE A 37 -17.330 1.515 6.849 1.00 0.00 N ATOM 526 CA ILE A 37 -17.069 0.126 7.203 1.00 0.00 C ATOM 527 C ILE A 37 -17.387 -0.137 8.671 1.00 0.00 C ATOM 528 O ILE A 37 -17.195 0.730 9.523 1.00 0.00 O ATOM 529 CB ILE A 37 -15.603 -0.259 6.930 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.661 0.607 7.769 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.285 -0.116 5.449 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.784 -0.191 8.709 1.00 0.00 C ATOM 0 H ILE A 37 -17.062 2.190 7.565 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.719 -0.486 6.578 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.457 -1.301 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.027 1.192 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -15.252 1.315 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.245 -0.392 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.938 -0.771 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.444 0.917 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.142 0.487 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.410 -0.755 9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.167 -0.881 8.133 1.00 0.00 H new ATOM 544 N SER A 38 -17.872 -1.341 8.960 1.00 0.00 N ATOM 545 CA SER A 38 -18.218 -1.718 10.325 1.00 0.00 C ATOM 546 C SER A 38 -17.119 -2.573 10.948 1.00 0.00 C ATOM 547 O SER A 38 -16.461 -3.369 10.277 1.00 0.00 O ATOM 548 CB SER A 38 -19.545 -2.479 10.346 1.00 0.00 C ATOM 549 OG SER A 38 -19.558 -3.454 11.374 1.00 0.00 O ATOM 0 H SER A 38 -18.034 -2.072 8.267 1.00 0.00 H new ATOM 0 HA SER A 38 -18.321 -0.805 10.912 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.367 -1.779 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.707 -2.961 9.382 1.00 0.00 H new ATOM 0 HG SER A 38 -20.417 -3.925 11.367 1.00 0.00 H new ATOM 555 N PRO A 39 -16.913 -2.406 12.263 1.00 0.00 N ATOM 556 CA PRO A 39 -17.690 -1.461 13.072 1.00 0.00 C ATOM 557 C PRO A 39 -17.366 -0.009 12.737 1.00 0.00 C ATOM 558 O PRO A 39 -16.442 0.270 11.973 1.00 0.00 O ATOM 559 CB PRO A 39 -17.264 -1.788 14.505 1.00 0.00 C ATOM 560 CG PRO A 39 -15.906 -2.385 14.370 1.00 0.00 C ATOM 561 CD PRO A 39 -15.907 -3.126 13.062 1.00 0.00 C ATOM 0 HA PRO A 39 -18.762 -1.560 12.899 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.243 -0.892 15.126 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.958 -2.485 14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.137 -1.612 14.380 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.692 -3.059 15.200 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.926 -3.104 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.174 -4.174 13.194 1.00 0.00 H new ATOM 569 N ALA A 40 -18.131 0.911 13.314 1.00 0.00 N ATOM 570 CA ALA A 40 -17.924 2.334 13.079 1.00 0.00 C ATOM 571 C ALA A 40 -16.760 2.864 13.911 1.00 0.00 C ATOM 572 O ALA A 40 -16.418 4.043 13.836 1.00 0.00 O ATOM 573 CB ALA A 40 -19.194 3.112 13.390 1.00 0.00 C ATOM 0 H ALA A 40 -18.900 0.696 13.948 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.677 2.470 12.026 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.024 4.173 13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.002 2.760 12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.467 2.961 14.434 1.00 0.00 H new ATOM 579 N ASN A 41 -16.157 1.985 14.703 1.00 0.00 N ATOM 580 CA ASN A 41 -15.032 2.365 15.550 1.00 0.00 C ATOM 581 C ASN A 41 -13.816 1.490 15.264 1.00 0.00 C ATOM 582 O ASN A 41 -13.027 1.192 16.162 1.00 0.00 O ATOM 583 CB ASN A 41 -15.418 2.254 17.027 1.00 0.00 C ATOM 584 CG ASN A 41 -16.185 3.468 17.516 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.671 4.265 18.302 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.421 3.613 17.053 1.00 0.00 N ATOM 0 H ASN A 41 -16.428 1.004 14.777 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.774 3.400 15.325 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.024 1.360 17.175 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.517 2.131 17.627 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.986 4.410 17.347 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.806 2.928 16.403 1.00 0.00 H new ATOM 593 N TYR A 42 -13.670 1.081 14.009 1.00 0.00 N ATOM 594 CA TYR A 42 -12.551 0.239 13.604 1.00 0.00 C ATOM 595 C TYR A 42 -11.327 1.084 13.265 1.00 0.00 C ATOM 596 O TYR A 42 -11.425 2.074 12.540 1.00 0.00 O ATOM 597 CB TYR A 42 -12.941 -0.621 12.401 1.00 0.00 C ATOM 598 CG TYR A 42 -11.872 -1.608 11.990 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.771 -1.201 11.246 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.963 -2.948 12.346 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.793 -2.100 10.868 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.989 -3.854 11.973 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.906 -3.425 11.234 1.00 0.00 C ATOM 604 OH TYR A 42 -8.933 -4.324 10.861 1.00 0.00 O ATOM 0 H TYR A 42 -14.313 1.319 13.254 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.299 -0.412 14.441 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.856 -1.166 12.636 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.166 0.031 11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.679 -0.164 10.959 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.810 -3.287 12.924 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.944 -1.767 10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.075 -4.892 12.258 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.163 -5.214 11.200 1.00 0.00 H new ATOM 614 N GLU A 43 -10.175 0.686 13.794 1.00 0.00 N ATOM 615 CA GLU A 43 -8.931 1.407 13.547 1.00 0.00 C ATOM 616 C GLU A 43 -7.767 0.751 14.284 1.00 0.00 C ATOM 617 O GLU A 43 -7.950 0.004 15.245 1.00 0.00 O ATOM 618 CB GLU A 43 -9.068 2.867 13.983 1.00 0.00 C ATOM 619 CG GLU A 43 -9.953 3.059 15.203 1.00 0.00 C ATOM 620 CD GLU A 43 -9.685 4.369 15.918 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.033 5.249 15.318 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.128 4.514 17.076 1.00 0.00 O ATOM 0 H GLU A 43 -10.077 -0.131 14.396 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.726 1.372 12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.077 3.268 14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.475 3.448 13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.999 3.023 14.898 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.795 2.232 15.896 1.00 0.00 H new ATOM 629 N PRO A 44 -6.540 1.038 13.825 1.00 0.00 N ATOM 630 CA PRO A 44 -6.310 1.926 12.681 1.00 0.00 C ATOM 631 C PRO A 44 -6.766 1.307 11.365 1.00 0.00 C ATOM 632 O PRO A 44 -7.202 0.156 11.327 1.00 0.00 O ATOM 633 CB PRO A 44 -4.792 2.122 12.684 1.00 0.00 C ATOM 634 CG PRO A 44 -4.255 0.908 13.359 1.00 0.00 C ATOM 635 CD PRO A 44 -5.282 0.516 14.385 1.00 0.00 C ATOM 0 HA PRO A 44 -6.873 2.855 12.767 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.403 2.216 11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.511 3.029 13.219 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.092 0.103 12.642 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.294 1.116 13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.321 -0.565 14.522 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.064 0.953 15.359 1.00 0.00 H new ATOM 643 N VAL A 45 -6.661 2.076 10.286 1.00 0.00 N ATOM 644 CA VAL A 45 -7.061 1.602 8.967 1.00 0.00 C ATOM 645 C VAL A 45 -5.888 1.630 7.994 1.00 0.00 C ATOM 646 O VAL A 45 -4.998 2.474 8.102 1.00 0.00 O ATOM 647 CB VAL A 45 -8.212 2.449 8.391 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.525 2.103 9.076 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.903 3.932 8.530 1.00 0.00 C ATOM 0 H VAL A 45 -6.302 3.031 10.300 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.403 0.574 9.090 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.313 2.220 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.326 2.711 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.750 1.048 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.441 2.301 10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.726 4.515 8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.774 4.180 9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.987 4.165 7.988 1.00 0.00 H new ATOM 659 N HIS A 46 -5.893 0.701 7.043 1.00 0.00 N ATOM 660 CA HIS A 46 -4.829 0.620 6.049 1.00 0.00 C ATOM 661 C HIS A 46 -5.331 1.061 4.677 1.00 0.00 C ATOM 662 O HIS A 46 -6.495 0.849 4.335 1.00 0.00 O ATOM 663 CB HIS A 46 -4.283 -0.806 5.970 1.00 0.00 C ATOM 664 CG HIS A 46 -3.838 -1.351 7.293 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.157 -0.598 8.226 1.00 0.00 N ATOM 666 CD2 HIS A 46 -3.982 -2.582 7.837 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.900 -1.342 9.286 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.390 -2.551 9.076 1.00 0.00 N ATOM 0 H HIS A 46 -6.621 -0.006 6.940 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.028 1.292 6.356 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.053 -1.459 5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.442 -0.827 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.471 -3.430 7.382 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.378 -1.017 10.174 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.337 -3.334 9.728 1.00 0.00 H new ATOM 676 N TRP A 47 -4.448 1.674 3.898 1.00 0.00 N ATOM 677 CA TRP A 47 -4.803 2.145 2.564 1.00 0.00 C ATOM 678 C TRP A 47 -3.708 1.808 1.558 1.00 0.00 C ATOM 679 O TRP A 47 -2.525 2.033 1.815 1.00 0.00 O ATOM 680 CB TRP A 47 -5.049 3.655 2.583 1.00 0.00 C ATOM 681 CG TRP A 47 -6.301 4.044 3.308 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.486 4.083 4.660 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.542 4.447 2.719 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.768 4.486 4.947 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.436 4.717 3.774 1.00 0.00 C ATOM 686 CE3 TRP A 47 -7.985 4.609 1.403 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.744 5.137 3.551 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.284 5.026 1.184 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.151 5.287 2.253 1.00 0.00 C ATOM 0 H TRP A 47 -3.481 1.857 4.167 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.719 1.639 2.259 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.198 4.149 3.052 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.103 4.020 1.557 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.735 3.834 5.396 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.159 4.595 5.883 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.324 4.412 0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.414 5.338 4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.637 5.153 0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.160 5.613 2.049 1.00 0.00 H new ATOM 700 N PHE A 48 -4.109 1.267 0.412 1.00 0.00 N ATOM 701 CA PHE A 48 -3.161 0.898 -0.632 1.00 0.00 C ATOM 702 C PHE A 48 -3.620 1.417 -1.992 1.00 0.00 C ATOM 703 O PHE A 48 -4.783 1.783 -2.169 1.00 0.00 O ATOM 704 CB PHE A 48 -2.993 -0.622 -0.684 1.00 0.00 C ATOM 705 CG PHE A 48 -2.479 -1.212 0.598 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.342 -1.483 1.647 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.131 -1.496 0.754 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.872 -2.027 2.827 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.656 -2.040 1.932 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.527 -2.305 2.970 1.00 0.00 C ATOM 0 H PHE A 48 -5.084 1.075 0.183 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.201 1.355 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.953 -1.078 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.308 -0.876 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.395 -1.267 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.445 -1.290 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.556 -2.235 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.396 -2.258 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.157 -2.729 3.892 1.00 0.00 H new ATOM 720 N LEU A 49 -2.699 1.446 -2.949 1.00 0.00 N ATOM 721 CA LEU A 49 -3.008 1.921 -4.293 1.00 0.00 C ATOM 722 C LEU A 49 -2.301 1.073 -5.346 1.00 0.00 C ATOM 723 O LEU A 49 -1.096 1.209 -5.560 1.00 0.00 O ATOM 724 CB LEU A 49 -2.599 3.387 -4.444 1.00 0.00 C ATOM 725 CG LEU A 49 -2.914 4.036 -5.792 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.796 3.769 -6.788 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.244 3.528 -6.331 1.00 0.00 C ATOM 0 H LEU A 49 -1.733 1.146 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.084 1.833 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.093 3.964 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.526 3.464 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.992 5.113 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.038 4.239 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.862 4.183 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.685 2.694 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.452 4.001 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.195 2.447 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.039 3.772 -5.627 1.00 0.00 H new ATOM 739 N ASP A 50 -3.057 0.199 -6.000 1.00 0.00 N ATOM 740 CA ASP A 50 -2.504 -0.669 -7.033 1.00 0.00 C ATOM 741 C ASP A 50 -1.513 -1.662 -6.435 1.00 0.00 C ATOM 742 O ASP A 50 -1.850 -2.820 -6.188 1.00 0.00 O ATOM 743 CB ASP A 50 -1.818 0.165 -8.117 1.00 0.00 C ATOM 744 CG ASP A 50 -2.653 0.276 -9.377 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.897 0.287 -9.266 1.00 0.00 O ATOM 746 OD2 ASP A 50 -2.063 0.353 -10.475 1.00 0.00 O ATOM 0 H ASP A 50 -4.055 0.072 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.326 -1.228 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.616 1.164 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.855 -0.283 -8.361 1.00 0.00 H new ATOM 751 N LYS A 51 -0.288 -1.201 -6.205 1.00 0.00 N ATOM 752 CA LYS A 51 0.754 -2.048 -5.636 1.00 0.00 C ATOM 753 C LYS A 51 1.693 -1.234 -4.751 1.00 0.00 C ATOM 754 O LYS A 51 2.906 -1.448 -4.753 1.00 0.00 O ATOM 755 CB LYS A 51 1.550 -2.731 -6.750 1.00 0.00 C ATOM 756 CG LYS A 51 0.722 -3.687 -7.591 1.00 0.00 C ATOM 757 CD LYS A 51 0.385 -4.955 -6.826 1.00 0.00 C ATOM 758 CE LYS A 51 1.468 -6.010 -6.990 1.00 0.00 C ATOM 759 NZ LYS A 51 1.447 -7.004 -5.881 1.00 0.00 N ATOM 0 H LYS A 51 0.008 -0.245 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 51 0.274 -2.810 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.979 -1.968 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.383 -3.278 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.199 -3.194 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.270 -3.943 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.261 -4.721 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.567 -5.352 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.333 -6.524 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.444 -5.526 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.200 -7.706 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.602 -6.517 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.525 -7.484 -5.863 1.00 0.00 H new ATOM 773 N THR A 52 1.125 -0.301 -3.994 1.00 0.00 N ATOM 774 CA THR A 52 1.911 0.544 -3.104 1.00 0.00 C ATOM 775 C THR A 52 1.083 1.005 -1.910 1.00 0.00 C ATOM 776 O THR A 52 -0.053 1.457 -2.049 1.00 0.00 O ATOM 777 CB THR A 52 2.459 1.780 -3.842 1.00 0.00 C ATOM 778 OG1 THR A 52 3.166 1.374 -5.019 1.00 0.00 O ATOM 779 CG2 THR A 52 3.385 2.582 -2.940 1.00 0.00 C ATOM 0 H THR A 52 0.123 -0.111 -3.979 1.00 0.00 H new ATOM 0 HA THR A 52 2.747 -0.060 -2.751 1.00 0.00 H new ATOM 0 HB THR A 52 1.616 2.411 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.510 2.165 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.760 3.450 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.836 2.914 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.223 1.957 -2.632 1.00 0.00 H new ATOM 787 N PRO A 53 1.664 0.890 -0.706 1.00 0.00 N ATOM 788 CA PRO A 53 0.997 1.292 0.536 1.00 0.00 C ATOM 789 C PRO A 53 0.841 2.805 0.647 1.00 0.00 C ATOM 790 O PRO A 53 1.541 3.563 -0.025 1.00 0.00 O ATOM 791 CB PRO A 53 1.936 0.770 1.627 1.00 0.00 C ATOM 792 CG PRO A 53 3.274 0.703 0.976 1.00 0.00 C ATOM 793 CD PRO A 53 3.016 0.360 -0.465 1.00 0.00 C ATOM 0 HA PRO A 53 -0.017 0.896 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.949 1.436 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.621 -0.210 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.798 1.655 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.902 -0.051 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.751 0.820 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.062 -0.715 -0.636 1.00 0.00 H new ATOM 801 N LEU A 54 -0.081 3.238 1.500 1.00 0.00 N ATOM 802 CA LEU A 54 -0.329 4.662 1.700 1.00 0.00 C ATOM 803 C LEU A 54 -0.413 4.996 3.186 1.00 0.00 C ATOM 804 O LEU A 54 -1.144 4.351 3.938 1.00 0.00 O ATOM 805 CB LEU A 54 -1.623 5.078 0.998 1.00 0.00 C ATOM 806 CG LEU A 54 -1.625 4.965 -0.527 1.00 0.00 C ATOM 807 CD1 LEU A 54 -3.044 4.795 -1.047 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.968 6.186 -1.153 1.00 0.00 C ATOM 0 H LEU A 54 -0.669 2.624 2.064 1.00 0.00 H new ATOM 0 HA LEU A 54 0.505 5.215 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.437 4.468 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.842 6.111 1.266 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.049 4.083 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.026 4.716 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.480 3.890 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.644 5.657 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.978 6.088 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.516 7.083 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.062 6.263 -0.805 1.00 0.00 H new ATOM 820 N HIS A 55 0.339 6.011 3.602 1.00 0.00 N ATOM 821 CA HIS A 55 0.347 6.433 4.998 1.00 0.00 C ATOM 822 C HIS A 55 0.135 7.940 5.111 1.00 0.00 C ATOM 823 O HIS A 55 0.488 8.696 4.206 1.00 0.00 O ATOM 824 CB HIS A 55 1.667 6.042 5.664 1.00 0.00 C ATOM 825 CG HIS A 55 2.062 4.618 5.418 1.00 0.00 C ATOM 826 ND1 HIS A 55 3.217 4.261 4.756 1.00 0.00 N ATOM 827 CD2 HIS A 55 1.448 3.459 5.753 1.00 0.00 C ATOM 828 CE1 HIS A 55 3.297 2.944 4.692 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.235 2.433 5.290 1.00 0.00 N ATOM 0 H HIS A 55 0.950 6.555 2.993 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.473 5.928 5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.457 6.698 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.586 6.208 6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.513 3.360 6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.094 2.381 4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.033 1.438 5.391 1.00 0.00 H new ATOM 837 N ALA A 56 -0.446 8.369 6.227 1.00 0.00 N ATOM 838 CA ALA A 56 -0.704 9.785 6.458 1.00 0.00 C ATOM 839 C ALA A 56 0.596 10.554 6.663 1.00 0.00 C ATOM 840 O ALA A 56 1.502 10.087 7.352 1.00 0.00 O ATOM 841 CB ALA A 56 -1.621 9.965 7.659 1.00 0.00 C ATOM 0 H ALA A 56 -0.747 7.756 6.985 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.198 10.188 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.805 11.027 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.567 9.457 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.148 9.540 8.545 1.00 0.00 H new ATOM 847 N ASN A 57 0.681 11.735 6.061 1.00 0.00 N ATOM 848 CA ASN A 57 1.873 12.569 6.177 1.00 0.00 C ATOM 849 C ASN A 57 1.561 14.017 5.811 1.00 0.00 C ATOM 850 O ASN A 57 0.402 14.384 5.625 1.00 0.00 O ATOM 851 CB ASN A 57 2.986 12.032 5.275 1.00 0.00 C ATOM 852 CG ASN A 57 2.527 11.835 3.844 1.00 0.00 C ATOM 853 OD1 ASN A 57 2.353 12.799 3.098 1.00 0.00 O ATOM 854 ND2 ASN A 57 2.328 10.582 3.453 1.00 0.00 N ATOM 0 H ASN A 57 -0.061 12.137 5.488 1.00 0.00 H new ATOM 0 HA ASN A 57 2.208 12.539 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.828 12.724 5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.345 11.083 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.019 10.388 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.485 9.813 4.105 1.00 0.00 H new ATOM 861 N GLU A 58 2.605 14.834 5.710 1.00 0.00 N ATOM 862 CA GLU A 58 2.442 16.242 5.367 1.00 0.00 C ATOM 863 C GLU A 58 1.544 16.403 4.144 1.00 0.00 C ATOM 864 O GLU A 58 0.839 17.404 4.005 1.00 0.00 O ATOM 865 CB GLU A 58 3.804 16.886 5.101 1.00 0.00 C ATOM 866 CG GLU A 58 3.712 18.286 4.519 1.00 0.00 C ATOM 867 CD GLU A 58 4.582 19.284 5.260 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.616 18.866 5.821 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.228 20.481 5.278 1.00 0.00 O ATOM 0 H GLU A 58 3.572 14.545 5.861 1.00 0.00 H new ATOM 0 HA GLU A 58 1.970 16.743 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.366 16.926 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.368 16.253 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.008 18.260 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.675 18.621 4.549 1.00 0.00 H new ATOM 876 N LEU A 59 1.574 15.412 3.260 1.00 0.00 N ATOM 877 CA LEU A 59 0.763 15.442 2.048 1.00 0.00 C ATOM 878 C LEU A 59 -0.480 14.573 2.202 1.00 0.00 C ATOM 879 O LEU A 59 -1.606 15.058 2.098 1.00 0.00 O ATOM 880 CB LEU A 59 1.585 14.968 0.849 1.00 0.00 C ATOM 881 CG LEU A 59 2.923 15.677 0.630 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.770 14.917 -0.379 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.698 17.110 0.169 1.00 0.00 C ATOM 0 H LEU A 59 2.152 14.577 3.360 1.00 0.00 H new ATOM 0 HA LEU A 59 0.445 16.471 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.776 13.901 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.981 15.088 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 59 3.459 15.702 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.718 15.436 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.960 13.909 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.240 14.860 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.660 17.599 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.141 17.108 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.131 17.651 0.926 1.00 0.00 H new ATOM 895 N ASN A 60 -0.268 13.285 2.453 1.00 0.00 N ATOM 896 CA ASN A 60 -1.372 12.347 2.623 1.00 0.00 C ATOM 897 C ASN A 60 -2.213 12.712 3.843 1.00 0.00 C ATOM 898 O ASN A 60 -1.678 13.028 4.905 1.00 0.00 O ATOM 899 CB ASN A 60 -0.839 10.920 2.766 1.00 0.00 C ATOM 900 CG ASN A 60 -0.180 10.419 1.496 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.071 11.188 0.568 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.103 9.122 1.448 1.00 0.00 N ATOM 0 H ASN A 60 0.658 12.867 2.543 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.004 12.405 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.119 10.884 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.659 10.254 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.546 8.727 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.123 8.521 2.241 1.00 0.00 H new ATOM 909 N GLU A 61 -3.531 12.667 3.681 1.00 0.00 N ATOM 910 CA GLU A 61 -4.445 12.993 4.769 1.00 0.00 C ATOM 911 C GLU A 61 -5.446 11.864 4.997 1.00 0.00 C ATOM 912 O GLU A 61 -6.130 11.430 4.069 1.00 0.00 O ATOM 913 CB GLU A 61 -5.190 14.295 4.467 1.00 0.00 C ATOM 914 CG GLU A 61 -5.094 15.324 5.581 1.00 0.00 C ATOM 915 CD GLU A 61 -6.373 16.121 5.750 1.00 0.00 C ATOM 916 OE1 GLU A 61 -6.524 17.154 5.065 1.00 0.00 O ATOM 917 OE2 GLU A 61 -7.224 15.711 6.568 1.00 0.00 O ATOM 0 H GLU A 61 -3.990 12.408 2.807 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.855 13.122 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.791 14.727 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.240 14.068 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.858 14.819 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.270 16.006 5.371 1.00 0.00 H new ATOM 924 N ILE A 62 -5.525 11.392 6.237 1.00 0.00 N ATOM 925 CA ILE A 62 -6.442 10.314 6.586 1.00 0.00 C ATOM 926 C ILE A 62 -7.234 10.652 7.845 1.00 0.00 C ATOM 927 O ILE A 62 -6.697 10.631 8.953 1.00 0.00 O ATOM 928 CB ILE A 62 -5.692 8.987 6.806 1.00 0.00 C ATOM 929 CG1 ILE A 62 -4.961 8.571 5.528 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.660 7.899 7.247 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.560 8.056 5.774 1.00 0.00 C ATOM 0 H ILE A 62 -4.965 11.739 7.016 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.129 10.200 5.747 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.953 9.130 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.540 7.798 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.912 9.425 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.115 6.967 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.139 8.195 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.420 7.755 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.102 7.780 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.965 8.835 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.603 7.182 6.424 1.00 0.00 H new ATOM 943 N ASP A 63 -8.513 10.963 7.666 1.00 0.00 N ATOM 944 CA ASP A 63 -9.381 11.303 8.788 1.00 0.00 C ATOM 945 C ASP A 63 -10.231 10.105 9.200 1.00 0.00 C ATOM 946 O ASP A 63 -10.110 9.020 8.631 1.00 0.00 O ATOM 947 CB ASP A 63 -10.283 12.483 8.423 1.00 0.00 C ATOM 948 CG ASP A 63 -10.022 13.700 9.287 1.00 0.00 C ATOM 949 OD1 ASP A 63 -8.859 14.155 9.337 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.979 14.199 9.914 1.00 0.00 O ATOM 0 H ASP A 63 -8.972 10.987 6.755 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.750 11.585 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.128 12.744 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.326 12.185 8.526 1.00 0.00 H new ATOM 955 N ALA A 64 -11.091 10.309 10.193 1.00 0.00 N ATOM 956 CA ALA A 64 -11.961 9.246 10.680 1.00 0.00 C ATOM 957 C ALA A 64 -13.317 9.800 11.105 1.00 0.00 C ATOM 958 O ALA A 64 -13.646 9.818 12.290 1.00 0.00 O ATOM 959 CB ALA A 64 -11.302 8.513 11.838 1.00 0.00 C ATOM 0 H ALA A 64 -11.203 11.201 10.676 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.124 8.541 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.963 7.722 12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.361 8.077 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.109 9.214 12.650 1.00 0.00 H new ATOM 965 N GLN A 65 -14.100 10.250 10.129 1.00 0.00 N ATOM 966 CA GLN A 65 -15.420 10.805 10.403 1.00 0.00 C ATOM 967 C GLN A 65 -16.249 9.844 11.250 1.00 0.00 C ATOM 968 O GLN A 65 -15.967 8.649 11.332 1.00 0.00 O ATOM 969 CB GLN A 65 -16.150 11.110 9.095 1.00 0.00 C ATOM 970 CG GLN A 65 -15.903 12.517 8.574 1.00 0.00 C ATOM 971 CD GLN A 65 -16.721 12.833 7.337 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.916 12.545 7.278 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.078 13.429 6.339 1.00 0.00 N ATOM 0 H GLN A 65 -13.843 10.241 9.142 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.288 11.732 10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.837 10.391 8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.221 10.970 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.142 13.237 9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.844 12.635 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.086 13.650 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.576 13.666 5.481 1.00 0.00 H new ATOM 982 N PRO A 66 -17.297 10.377 11.896 1.00 0.00 N ATOM 983 CA PRO A 66 -18.188 9.585 12.748 1.00 0.00 C ATOM 984 C PRO A 66 -19.051 8.618 11.943 1.00 0.00 C ATOM 985 O PRO A 66 -19.615 8.984 10.913 1.00 0.00 O ATOM 986 CB PRO A 66 -19.062 10.642 13.428 1.00 0.00 C ATOM 987 CG PRO A 66 -19.048 11.803 12.493 1.00 0.00 C ATOM 988 CD PRO A 66 -17.692 11.795 11.843 1.00 0.00 C ATOM 0 HA PRO A 66 -17.633 8.958 13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.076 10.275 13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.664 10.916 14.405 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.838 11.713 11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.219 12.737 13.028 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.736 12.162 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.986 12.429 12.379 1.00 0.00 H new ATOM 996 N GLY A 67 -19.150 7.382 12.421 1.00 0.00 N ATOM 997 CA GLY A 67 -19.946 6.382 11.734 1.00 0.00 C ATOM 998 C GLY A 67 -19.103 5.461 10.874 1.00 0.00 C ATOM 999 O GLY A 67 -19.624 4.768 10.001 1.00 0.00 O ATOM 0 H GLY A 67 -18.693 7.055 13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.492 5.790 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.688 6.879 11.109 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.797 5.454 11.120 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.902 4.609 10.352 1.00 0.00 C ATOM 1005 C GLY A 68 -16.600 5.179 8.981 1.00 0.00 C ATOM 1006 O GLY A 68 -16.302 4.438 8.044 1.00 0.00 O ATOM 0 H GLY A 68 -17.343 6.019 11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.970 4.479 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.347 3.620 10.241 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.678 6.500 8.861 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.416 7.169 7.592 1.00 0.00 C ATOM 1012 C TYR A 69 -14.941 7.538 7.466 1.00 0.00 C ATOM 1013 O TYR A 69 -14.498 8.563 7.986 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.279 8.426 7.466 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.601 8.185 6.772 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.525 7.285 7.287 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.925 8.859 5.601 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.733 7.061 6.655 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.131 8.643 4.963 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.031 7.743 5.494 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.234 7.524 4.862 1.00 0.00 O ATOM 0 H TYR A 69 -16.920 7.128 9.627 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.670 6.479 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.469 8.828 8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.723 9.185 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.295 6.751 8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.222 9.564 5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.440 6.356 7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.368 9.176 4.054 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.087 6.989 4.054 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.184 6.695 6.771 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.758 6.931 6.574 1.00 0.00 C ATOM 1033 C HIS A 70 -12.514 7.771 5.324 1.00 0.00 C ATOM 1034 O HIS A 70 -12.744 7.317 4.203 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.010 5.602 6.463 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.112 4.753 7.693 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.757 5.200 8.948 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.534 3.477 7.855 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.954 4.236 9.829 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.426 3.180 9.191 1.00 0.00 N ATOM 0 H HIS A 70 -14.534 5.842 6.335 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.383 7.479 7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.402 5.044 5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.959 5.802 6.256 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.398 6.130 9.163 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.889 2.816 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.762 4.300 10.890 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.048 9.000 5.525 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.772 9.904 4.415 1.00 0.00 C ATOM 1050 C VAL A 71 -10.277 9.988 4.133 1.00 0.00 C ATOM 1051 O VAL A 71 -9.473 10.198 5.042 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.311 11.319 4.696 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.190 12.193 3.457 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.754 11.254 5.174 1.00 0.00 C ATOM 0 H VAL A 71 -11.854 9.392 6.446 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.281 9.497 3.541 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.710 11.767 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.576 13.189 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.143 12.266 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.765 11.752 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.119 12.263 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.371 10.786 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.808 10.666 6.091 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.909 9.823 2.867 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.508 9.881 2.463 1.00 0.00 C ATOM 1066 C LEU A 72 -8.285 10.977 1.426 1.00 0.00 C ATOM 1067 O LEU A 72 -8.717 10.860 0.279 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.063 8.531 1.898 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.641 8.472 1.341 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.659 8.056 2.425 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.570 7.516 0.159 1.00 0.00 C ATOM 0 H LEU A 72 -10.561 9.648 2.103 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.911 10.114 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.155 7.782 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.754 8.246 1.105 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.366 9.468 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.652 8.020 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.689 8.779 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.931 7.071 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.550 7.487 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.865 6.517 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.244 7.858 -0.627 1.00 0.00 H new ATOM 1083 N THR A 73 -7.605 12.044 1.837 1.00 0.00 N ATOM 1084 CA THR A 73 -7.323 13.160 0.944 1.00 0.00 C ATOM 1085 C THR A 73 -5.858 13.171 0.523 1.00 0.00 C ATOM 1086 O THR A 73 -5.022 13.812 1.162 1.00 0.00 O ATOM 1087 CB THR A 73 -7.665 14.509 1.605 1.00 0.00 C ATOM 1088 OG1 THR A 73 -9.054 14.545 1.954 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.341 15.666 0.673 1.00 0.00 C ATOM 0 H THR A 73 -7.240 12.158 2.783 1.00 0.00 H new ATOM 0 HA THR A 73 -7.951 13.026 0.063 1.00 0.00 H new ATOM 0 HB THR A 73 -7.061 14.610 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.263 15.405 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.591 16.608 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.278 15.653 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.922 15.568 -0.244 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.552 12.459 -0.556 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.186 12.388 -1.064 1.00 0.00 C ATOM 1099 C LEU A 74 -3.794 13.689 -1.756 1.00 0.00 C ATOM 1100 O LEU A 74 -4.130 13.911 -2.919 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.044 11.216 -2.037 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.884 9.833 -1.404 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.237 8.744 -2.405 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.466 9.645 -0.886 1.00 0.00 C ATOM 0 H LEU A 74 -6.231 11.923 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.517 12.233 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.921 11.198 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.181 11.403 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.570 9.759 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.117 7.767 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.271 8.868 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.576 8.816 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.370 8.656 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.761 9.740 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.249 10.405 -0.135 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.078 14.545 -1.034 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.639 15.824 -1.579 1.00 0.00 C ATOM 1118 C ARG A 75 -1.355 15.658 -2.387 1.00 0.00 C ATOM 1119 O ARG A 75 -0.514 14.818 -2.068 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.417 16.833 -0.451 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.577 16.919 0.527 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.560 18.229 1.299 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.287 19.286 0.600 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.266 20.561 0.971 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.558 20.936 2.027 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.953 21.464 0.284 1.00 0.00 N ATOM 0 H ARG A 75 -2.790 14.376 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.420 16.196 -2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.513 16.562 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.245 17.818 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.518 16.827 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.528 16.083 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.002 18.075 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.528 18.543 1.458 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.841 19.031 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.027 20.245 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.544 21.916 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.498 21.179 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.936 22.443 0.570 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.214 16.463 -3.435 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.034 16.404 -4.289 1.00 0.00 C ATOM 1142 C GLN A 76 0.121 15.019 -4.909 1.00 0.00 C ATOM 1143 O GLN A 76 1.133 14.346 -4.706 1.00 0.00 O ATOM 1144 CB GLN A 76 1.220 16.761 -3.489 1.00 0.00 C ATOM 1145 CG GLN A 76 1.190 18.164 -2.905 1.00 0.00 C ATOM 1146 CD GLN A 76 2.564 18.802 -2.849 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.004 19.264 -1.796 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.251 18.830 -3.985 1.00 0.00 N ATOM 0 H GLN A 76 -1.902 17.163 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.162 17.129 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.341 16.042 -2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.093 16.664 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.528 18.789 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.770 18.126 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.848 18.435 -4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.182 19.246 -4.008 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.888 14.598 -5.664 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.864 13.292 -6.314 1.00 0.00 C ATOM 1159 C LEU A 77 -0.022 13.331 -7.585 1.00 0.00 C ATOM 1160 O LEU A 77 0.544 14.367 -7.935 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.287 12.840 -6.645 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.083 12.230 -5.490 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.558 12.136 -5.850 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.532 10.859 -5.127 1.00 0.00 C ATOM 0 H LEU A 77 -1.733 15.142 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.413 12.578 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.840 13.698 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.236 12.108 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.983 12.881 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.109 11.700 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.946 13.133 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.678 11.508 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.111 10.441 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.601 10.199 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.489 10.954 -4.826 1.00 0.00 H new ATOM 1176 N ALA A 78 0.054 12.197 -8.273 1.00 0.00 N ATOM 1177 CA ALA A 78 0.823 12.103 -9.508 1.00 0.00 C ATOM 1178 C ALA A 78 0.151 11.163 -10.503 1.00 0.00 C ATOM 1179 O ALA A 78 -0.654 10.312 -10.123 1.00 0.00 O ATOM 1180 CB ALA A 78 2.240 11.636 -9.213 1.00 0.00 C ATOM 0 H ALA A 78 -0.407 11.330 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 78 0.865 13.095 -9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.803 11.570 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.726 12.347 -8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.208 10.655 -8.738 1.00 0.00 H new ATOM 1186 N LEU A 79 0.484 11.323 -11.779 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.088 10.489 -12.830 1.00 0.00 C ATOM 1188 C LEU A 79 0.253 9.020 -12.605 1.00 0.00 C ATOM 1189 O LEU A 79 -0.397 8.129 -13.153 1.00 0.00 O ATOM 1190 CB LEU A 79 0.422 10.939 -14.200 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.285 12.147 -14.816 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.372 12.536 -16.131 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.763 11.851 -15.023 1.00 0.00 C ATOM 0 H LEU A 79 1.148 12.023 -12.111 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.172 10.600 -12.799 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.484 11.170 -14.112 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.335 10.101 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.196 12.987 -14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.144 13.397 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.417 12.790 -15.954 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.315 11.700 -16.828 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.250 12.721 -15.462 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.873 10.998 -15.692 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.226 11.622 -14.063 1.00 0.00 H new ATOM 1205 N LYS A 80 1.276 8.772 -11.794 1.00 0.00 N ATOM 1206 CA LYS A 80 1.703 7.411 -11.492 1.00 0.00 C ATOM 1207 C LYS A 80 0.873 6.820 -10.358 1.00 0.00 C ATOM 1208 O LYS A 80 1.116 5.695 -9.919 1.00 0.00 O ATOM 1209 CB LYS A 80 3.186 7.391 -11.117 1.00 0.00 C ATOM 1210 CG LYS A 80 3.528 8.286 -9.939 1.00 0.00 C ATOM 1211 CD LYS A 80 5.007 8.217 -9.597 1.00 0.00 C ATOM 1212 CE LYS A 80 5.337 9.065 -8.378 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.152 8.309 -7.109 1.00 0.00 N ATOM 0 H LYS A 80 1.826 9.497 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 80 1.552 6.803 -12.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.479 6.368 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.775 7.701 -11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.255 9.315 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.939 7.988 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.290 7.181 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.595 8.558 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.368 9.413 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.701 9.950 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.387 8.922 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.163 7.998 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.777 7.478 -7.106 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.108 7.583 -9.888 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.976 7.133 -8.806 1.00 0.00 C ATOM 1229 C ASP A 81 -2.284 6.572 -9.356 1.00 0.00 C ATOM 1230 O ASP A 81 -2.955 5.776 -8.700 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.266 8.285 -7.843 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.371 7.823 -6.403 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.339 7.407 -5.837 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.486 7.877 -5.842 1.00 0.00 O ATOM 0 H ASP A 81 -0.322 8.516 -10.240 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.460 6.340 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.476 9.031 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.196 8.772 -8.134 1.00 0.00 H new ATOM 1239 N SER A 82 -2.642 6.995 -10.565 1.00 0.00 N ATOM 1240 CA SER A 82 -3.872 6.539 -11.201 1.00 0.00 C ATOM 1241 C SER A 82 -3.951 5.016 -11.203 1.00 0.00 C ATOM 1242 O SER A 82 -3.243 4.348 -11.955 1.00 0.00 O ATOM 1243 CB SER A 82 -3.956 7.068 -12.634 1.00 0.00 C ATOM 1244 OG SER A 82 -2.741 6.848 -13.331 1.00 0.00 O ATOM 0 H SER A 82 -2.097 7.653 -11.123 1.00 0.00 H new ATOM 0 HA SER A 82 -4.714 6.927 -10.628 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.775 6.576 -13.159 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.182 8.134 -12.619 1.00 0.00 H new ATOM 0 HG SER A 82 -2.095 7.544 -13.090 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.818 4.473 -10.354 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.974 3.032 -10.273 1.00 0.00 C ATOM 1252 C GLY A 83 -6.282 2.626 -9.624 1.00 0.00 C ATOM 1253 O GLY A 83 -7.356 2.833 -10.189 1.00 0.00 O ATOM 0 H GLY A 83 -5.415 5.005 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.922 2.607 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.144 2.611 -9.705 1.00 0.00 H new ATOM 1257 N THR A 84 -6.193 2.044 -8.431 1.00 0.00 N ATOM 1258 CA THR A 84 -7.378 1.606 -7.705 1.00 0.00 C ATOM 1259 C THR A 84 -7.099 1.499 -6.210 1.00 0.00 C ATOM 1260 O THR A 84 -6.349 0.628 -5.770 1.00 0.00 O ATOM 1261 CB THR A 84 -7.881 0.244 -8.220 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.200 0.334 -9.613 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.107 -0.211 -7.443 1.00 0.00 C ATOM 0 H THR A 84 -5.312 1.866 -7.948 1.00 0.00 H new ATOM 0 HA THR A 84 -8.148 2.358 -7.875 1.00 0.00 H new ATOM 0 HB THR A 84 -7.087 -0.489 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.276 1.276 -9.871 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.443 -1.175 -7.825 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.853 -0.308 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.904 0.523 -7.559 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.708 2.390 -5.435 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.526 2.394 -3.989 1.00 0.00 C ATOM 1273 C ILE A 85 -7.987 1.077 -3.373 1.00 0.00 C ATOM 1274 O ILE A 85 -9.159 0.713 -3.466 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.294 3.554 -3.328 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.824 4.895 -3.895 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.111 3.517 -1.818 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.380 5.214 -3.573 1.00 0.00 C ATOM 0 H ILE A 85 -8.331 3.118 -5.784 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.459 2.524 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.355 3.440 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.954 4.888 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.459 5.689 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.659 4.343 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.490 2.572 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.052 3.609 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.115 6.179 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.248 5.253 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.735 4.440 -3.989 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.057 0.368 -2.742 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.367 -0.909 -2.111 1.00 0.00 C ATOM 1292 C TYR A 86 -7.410 -0.770 -0.592 1.00 0.00 C ATOM 1293 O TYR A 86 -6.407 -0.981 0.091 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.333 -1.963 -2.509 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.615 -2.614 -3.844 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.653 -3.526 -3.989 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.843 -2.316 -4.961 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.913 -4.124 -5.207 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -6.097 -2.908 -6.183 1.00 0.00 C ATOM 1300 CZ TYR A 86 -7.133 -3.811 -6.301 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.390 -4.403 -7.516 1.00 0.00 O ATOM 0 H TYR A 86 -6.083 0.656 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.351 -1.227 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.347 -1.499 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.297 -2.734 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.267 -3.772 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.031 -1.610 -4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.722 -4.833 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.488 -2.665 -7.041 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.751 -4.074 -8.182 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.578 -0.412 -0.069 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.753 -0.244 1.368 1.00 0.00 C ATOM 1313 C PHE A 87 -8.678 -1.588 2.087 1.00 0.00 C ATOM 1314 O PHE A 87 -9.076 -2.617 1.542 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.094 0.431 1.665 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.392 0.554 3.132 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.794 1.545 3.893 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.270 -0.322 3.750 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.066 1.662 5.243 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.546 -0.210 5.099 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.943 0.782 5.847 1.00 0.00 C ATOM 0 H PHE A 87 -9.418 -0.233 -0.620 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.945 0.390 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.098 1.425 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.892 -0.138 1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.107 2.235 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.744 -1.101 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.594 2.440 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.233 -0.898 5.569 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.157 0.870 6.902 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.164 -1.570 3.312 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.035 -2.787 4.104 1.00 0.00 C ATOM 1333 C GLU A 88 -8.602 -2.586 5.507 1.00 0.00 C ATOM 1334 O GLU A 88 -8.358 -1.563 6.146 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.568 -3.213 4.192 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.178 -4.266 3.168 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.684 -4.524 3.137 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.049 -4.464 4.212 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.149 -4.786 2.040 1.00 0.00 O ATOM 0 H GLU A 88 -7.830 -0.726 3.778 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.605 -3.573 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.935 -2.336 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.370 -3.599 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.699 -5.197 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.508 -3.946 2.180 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.359 -3.571 5.979 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.960 -3.504 7.305 1.00 0.00 C ATOM 1348 C ALA A 89 -10.481 -4.869 7.742 1.00 0.00 C ATOM 1349 O ALA A 89 -11.577 -5.277 7.360 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.083 -2.477 7.325 1.00 0.00 C ATOM 0 H ALA A 89 -9.571 -4.425 5.463 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.188 -3.196 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.523 -2.438 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.684 -1.496 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.848 -2.760 6.602 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.687 -5.572 8.545 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.085 -6.884 9.019 1.00 0.00 C ATOM 1358 C GLY A 90 -9.921 -7.957 7.961 1.00 0.00 C ATOM 1359 O GLY A 90 -8.801 -8.273 7.557 1.00 0.00 O ATOM 0 H GLY A 90 -8.775 -5.256 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.490 -7.147 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.126 -6.851 9.340 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.037 -8.520 7.513 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.012 -9.566 6.496 1.00 0.00 C ATOM 1365 C ASP A 91 -11.689 -9.092 5.214 1.00 0.00 C ATOM 1366 O ASP A 91 -12.017 -9.896 4.342 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.700 -10.829 7.015 1.00 0.00 C ATOM 1368 CG ASP A 91 -13.206 -10.673 7.104 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -13.665 -9.670 7.690 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -13.925 -11.554 6.587 1.00 0.00 O ATOM 0 H ASP A 91 -11.971 -8.270 7.838 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.970 -9.797 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.462 -11.665 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.304 -11.076 8.000 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.896 -7.784 5.108 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.536 -7.205 3.933 1.00 0.00 C ATOM 1377 C GLN A 92 -11.531 -6.420 3.097 1.00 0.00 C ATOM 1378 O GLN A 92 -10.341 -6.386 3.410 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.691 -6.293 4.352 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.863 -7.040 4.967 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.685 -7.789 3.936 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.414 -7.184 3.149 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.571 -9.112 3.935 1.00 0.00 N ATOM 0 H GLN A 92 -11.630 -7.105 5.821 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.928 -8.021 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.322 -5.559 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -14.041 -5.739 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.490 -7.745 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.504 -6.332 5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.955 -9.571 4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.100 -9.669 3.264 1.00 0.00 H new ATOM 1392 N ARG A 93 -12.018 -5.790 2.032 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.161 -5.007 1.150 1.00 0.00 C ATOM 1394 C ARG A 93 -11.990 -4.263 0.107 1.00 0.00 C ATOM 1395 O ARG A 93 -12.717 -4.876 -0.674 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.142 -5.913 0.456 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.964 -5.161 -0.139 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.993 -6.104 -0.831 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.562 -6.681 -2.046 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.228 -7.830 -2.071 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -9.408 -8.521 -0.954 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.717 -8.290 -3.216 1.00 0.00 N ATOM 0 H ARG A 93 -13.001 -5.807 1.760 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.630 -4.274 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.770 -6.644 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.644 -6.470 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.326 -4.422 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.444 -4.615 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.079 -5.565 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.714 -6.904 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.441 -6.174 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.035 -8.171 -0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.920 -9.403 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.581 -7.761 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.228 -9.172 -3.234 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.876 -2.939 0.101 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.613 -2.113 -0.846 1.00 0.00 C ATOM 1418 C ALA A 94 -11.802 -1.876 -2.116 1.00 0.00 C ATOM 1419 O ALA A 94 -10.604 -2.158 -2.160 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.992 -0.786 -0.205 1.00 0.00 C ATOM 0 H ALA A 94 -11.280 -2.416 0.742 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.524 -2.645 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.542 -0.179 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.617 -0.969 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.088 -0.258 0.100 1.00 0.00 H new ATOM 1426 N SER A 95 -12.462 -1.358 -3.146 1.00 0.00 N ATOM 1427 CA SER A 95 -11.803 -1.088 -4.419 1.00 0.00 C ATOM 1428 C SER A 95 -12.506 0.041 -5.166 1.00 0.00 C ATOM 1429 O SER A 95 -13.641 -0.112 -5.618 1.00 0.00 O ATOM 1430 CB SER A 95 -11.779 -2.350 -5.283 1.00 0.00 C ATOM 1431 OG SER A 95 -13.078 -2.674 -5.748 1.00 0.00 O ATOM 0 H SER A 95 -13.453 -1.117 -3.125 1.00 0.00 H new ATOM 0 HA SER A 95 -10.778 -0.780 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.112 -2.201 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.378 -3.183 -4.705 1.00 0.00 H new ATOM 0 HG SER A 95 -13.675 -1.909 -5.611 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.823 1.174 -5.292 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.381 2.328 -5.986 1.00 0.00 C ATOM 1439 C ALA A 96 -11.503 2.736 -7.165 1.00 0.00 C ATOM 1440 O ALA A 96 -10.276 2.706 -7.077 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.548 3.493 -5.022 1.00 0.00 C ATOM 0 H ALA A 96 -10.883 1.317 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.360 2.049 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.966 4.348 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.221 3.204 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.577 3.763 -4.606 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.141 3.117 -8.267 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.418 3.532 -9.463 1.00 0.00 C ATOM 1449 C ALA A 97 -10.736 4.879 -9.252 1.00 0.00 C ATOM 1450 O ALA A 97 -11.374 5.930 -9.336 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.362 3.597 -10.654 1.00 0.00 C ATOM 0 H ALA A 97 -13.157 3.147 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.645 2.791 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.809 3.908 -11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.799 2.613 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.155 4.316 -10.451 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.437 4.843 -8.977 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.668 6.062 -8.753 1.00 0.00 C ATOM 1459 C LEU A 98 -8.095 6.593 -10.063 1.00 0.00 C ATOM 1460 O LEU A 98 -7.049 6.135 -10.525 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.536 5.799 -7.757 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.412 6.835 -7.730 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.982 8.236 -7.564 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.426 6.523 -6.613 1.00 0.00 C ATOM 0 H LEU A 98 -8.894 3.983 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.339 6.815 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.966 5.733 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.100 4.825 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.880 6.791 -8.680 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.168 8.960 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.648 8.459 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.539 8.294 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.633 7.271 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.945 6.539 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.993 5.536 -6.775 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.785 7.562 -10.655 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.344 8.156 -11.911 1.00 0.00 C ATOM 1478 C ARG A 99 -7.612 9.471 -11.663 1.00 0.00 C ATOM 1479 O ARG A 99 -8.008 10.263 -10.808 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.540 8.392 -12.836 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.293 7.121 -13.193 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.323 7.372 -14.283 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.015 6.147 -14.675 1.00 0.00 N ATOM 1484 CZ ARG A 99 -13.110 6.130 -15.427 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.634 7.265 -15.867 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.682 4.974 -15.742 1.00 0.00 N ATOM 0 H ARG A 99 -9.652 7.952 -10.285 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.654 7.461 -12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.227 9.089 -12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.191 8.868 -13.753 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.587 6.360 -13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.789 6.729 -12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.051 8.103 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.831 7.805 -15.154 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.637 5.256 -14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.196 8.155 -15.628 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.475 7.249 -16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.281 4.098 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.523 4.962 -16.319 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.540 9.698 -12.417 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.753 10.917 -12.279 1.00 0.00 C ATOM 1502 C VAL A 100 -5.126 11.319 -13.610 1.00 0.00 C ATOM 1503 O VAL A 100 -4.234 10.640 -14.120 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.638 10.750 -11.229 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.773 12.000 -11.165 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.234 10.434 -9.866 1.00 0.00 C ATOM 0 H VAL A 100 -6.197 9.053 -13.129 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.437 11.700 -11.951 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.005 9.914 -11.526 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.991 11.863 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.317 12.177 -12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.390 12.856 -10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.433 10.319 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.891 11.248 -9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.806 9.508 -9.925 1.00 0.00 H new ATOM 1516 N THR A 101 -5.598 12.429 -14.169 1.00 0.00 N ATOM 1517 CA THR A 101 -5.086 12.923 -15.440 1.00 0.00 C ATOM 1518 C THR A 101 -4.051 14.022 -15.227 1.00 0.00 C ATOM 1519 O THR A 101 -4.017 14.658 -14.174 1.00 0.00 O ATOM 1520 CB THR A 101 -6.219 13.467 -16.330 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.811 14.619 -15.720 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.284 12.405 -16.559 1.00 0.00 C ATOM 0 H THR A 101 -6.335 13.003 -13.760 1.00 0.00 H new ATOM 0 HA THR A 101 -4.616 12.077 -15.940 1.00 0.00 H new ATOM 0 HB THR A 101 -5.792 13.745 -17.294 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.529 14.960 -16.293 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.074 12.812 -17.190 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.836 11.541 -17.050 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.706 12.100 -15.601 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.209 14.239 -16.232 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.173 15.262 -16.153 1.00 0.00 C ATOM 1532 C GLU A 102 -2.765 16.605 -15.738 1.00 0.00 C ATOM 1533 O GLU A 102 -3.862 16.971 -16.161 1.00 0.00 O ATOM 1534 CB GLU A 102 -1.458 15.401 -17.499 1.00 0.00 C ATOM 1535 CG GLU A 102 -2.398 15.373 -18.692 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.828 16.091 -19.901 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.543 17.302 -19.791 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.667 15.442 -20.955 1.00 0.00 O ATOM 0 H GLU A 102 -3.224 13.720 -17.110 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.451 14.954 -15.397 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.899 16.337 -17.509 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.732 14.595 -17.600 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.612 14.338 -18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.346 15.834 -18.414 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.032 17.337 -14.905 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.482 18.640 -14.432 1.00 0.00 C ATOM 1547 C LYS A 103 -1.936 19.758 -15.314 1.00 0.00 C ATOM 1548 O LYS A 103 -0.924 19.603 -15.998 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.043 18.859 -12.982 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.651 19.453 -12.852 1.00 0.00 C ATOM 1551 CD LYS A 103 0.407 18.527 -13.428 1.00 0.00 C ATOM 1552 CE LYS A 103 1.811 19.040 -13.144 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.710 18.874 -14.319 1.00 0.00 N ATOM 0 H LYS A 103 -1.123 17.049 -14.544 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.571 18.660 -14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.758 19.519 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.073 17.906 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.615 20.413 -13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.434 19.646 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.290 17.530 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.263 18.434 -14.504 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.764 20.094 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.227 18.506 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.657 19.235 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.775 17.866 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.327 19.405 -15.127 1.00 0.00 H new