USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 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 27 GLN :FLIP amide:sc= 0 F(o=0.61,f=1.3) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.27) USER MOD Single : A 17 ASN : amide:sc=-0.00358 K(o=-0.0036,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -159:sc= 0.388 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 152:sc= -4.21! (180deg=-5.01!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 1.14 (180deg=-0.966) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 37 GLN : amide:sc= -5.28! C(o=-5.3!,f=-16!) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0.371 (180deg=0.37) USER MOD Single : A 46 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.5!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 63 SER OG : rot 38:sc= 0.791 USER MOD Single : A 66 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.34) USER MOD Single : A 84 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.18) USER MOD Single : A 85 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-5.4!) USER MOD Single : A 91 TYR OH : rot 68:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.039 5.463 -12.713 1.00 0.00 N ATOM 181 CA ILE A 16 4.307 5.610 -11.461 1.00 0.00 C ATOM 182 C ILE A 16 4.887 6.739 -10.615 1.00 0.00 C ATOM 183 O ILE A 16 6.087 6.772 -10.346 1.00 0.00 O ATOM 184 CB ILE A 16 4.325 4.307 -10.641 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.701 3.164 -11.444 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.588 4.500 -9.324 1.00 0.00 C ATOM 187 CD1 ILE A 16 3.909 1.802 -10.820 1.00 0.00 C ATOM 0 HA ILE A 16 3.277 5.849 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 16 5.361 4.048 -10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.632 3.347 -11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.125 3.163 -12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.609 3.570 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.072 5.289 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.554 4.780 -9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.440 1.041 -11.443 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.977 1.598 -10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.460 1.784 -9.827 1.00 0.00 H new ATOM 199 N ASN A 17 4.025 7.660 -10.196 1.00 0.00 N ATOM 200 CA ASN A 17 4.452 8.790 -9.379 1.00 0.00 C ATOM 201 C ASN A 17 4.138 8.545 -7.906 1.00 0.00 C ATOM 202 O ASN A 17 2.990 8.666 -7.477 1.00 0.00 O ATOM 203 CB ASN A 17 3.768 10.075 -9.850 1.00 0.00 C ATOM 204 CG ASN A 17 4.567 11.316 -9.504 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.243 11.366 -8.477 1.00 0.00 O ATOM 206 ND2 ASN A 17 4.492 12.326 -10.363 1.00 0.00 N ATOM 0 H ASN A 17 3.028 7.646 -10.409 1.00 0.00 H new ATOM 0 HA ASN A 17 5.531 8.899 -9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.621 10.030 -10.929 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.779 10.144 -9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.008 13.187 -10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.919 12.240 -11.202 1.00 0.00 H new ATOM 213 N ILE A 18 5.166 8.201 -7.137 1.00 0.00 N ATOM 214 CA ILE A 18 5.000 7.940 -5.713 1.00 0.00 C ATOM 215 C ILE A 18 4.988 9.239 -4.914 1.00 0.00 C ATOM 216 O ILE A 18 5.785 10.144 -5.166 1.00 0.00 O ATOM 217 CB ILE A 18 6.119 7.030 -5.173 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.302 5.815 -6.085 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.803 6.589 -3.751 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.093 4.907 -6.132 1.00 0.00 C ATOM 0 H ILE A 18 6.122 8.097 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 18 4.042 7.434 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 18 7.051 7.594 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.527 6.159 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.164 5.242 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.603 5.946 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.717 7.466 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.862 6.039 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.294 4.067 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.880 4.533 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.233 5.465 -6.502 1.00 0.00 H new ATOM 232 N THR A 19 4.079 9.325 -3.948 1.00 0.00 N ATOM 233 CA THR A 19 3.962 10.513 -3.111 1.00 0.00 C ATOM 234 C THR A 19 3.754 10.137 -1.649 1.00 0.00 C ATOM 235 O THR A 19 3.256 9.055 -1.341 1.00 0.00 O ATOM 236 CB THR A 19 2.798 11.411 -3.570 1.00 0.00 C ATOM 237 OG1 THR A 19 1.571 10.673 -3.547 1.00 0.00 O ATOM 238 CG2 THR A 19 3.047 11.947 -4.971 1.00 0.00 C ATOM 0 H THR A 19 3.413 8.586 -3.726 1.00 0.00 H new ATOM 0 HA THR A 19 4.897 11.064 -3.212 1.00 0.00 H new ATOM 0 HB THR A 19 2.727 12.254 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.836 11.252 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.211 12.578 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.966 12.533 -4.978 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.143 11.114 -5.668 1.00 0.00 H new ATOM 246 N ALA A 20 4.138 11.038 -0.751 1.00 0.00 N ATOM 247 CA ALA A 20 3.991 10.801 0.680 1.00 0.00 C ATOM 248 C ALA A 20 2.615 10.227 1.003 1.00 0.00 C ATOM 249 O ALA A 20 2.474 9.398 1.901 1.00 0.00 O ATOM 250 CB ALA A 20 4.221 12.091 1.455 1.00 0.00 C ATOM 0 H ALA A 20 4.553 11.939 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 20 4.741 10.070 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.108 11.899 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.227 12.460 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.492 12.839 1.142 1.00 0.00 H new ATOM 256 N ALA A 21 1.605 10.672 0.264 1.00 0.00 N ATOM 257 CA ALA A 21 0.241 10.201 0.470 1.00 0.00 C ATOM 258 C ALA A 21 0.197 8.681 0.581 1.00 0.00 C ATOM 259 O ALA A 21 -0.581 8.129 1.360 1.00 0.00 O ATOM 260 CB ALA A 21 -0.659 10.676 -0.661 1.00 0.00 C ATOM 0 H ALA A 21 1.705 11.359 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.123 10.619 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.674 10.317 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.660 11.766 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.288 10.287 -1.609 1.00 0.00 H new ATOM 266 N ILE A 22 1.034 8.010 -0.202 1.00 0.00 N ATOM 267 CA ILE A 22 1.090 6.554 -0.191 1.00 0.00 C ATOM 268 C ILE A 22 0.982 6.011 1.230 1.00 0.00 C ATOM 269 O ILE A 22 0.341 4.987 1.467 1.00 0.00 O ATOM 270 CB ILE A 22 2.392 6.035 -0.829 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.350 4.511 -0.961 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.595 6.468 -0.004 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.197 3.979 -2.096 1.00 0.00 C ATOM 0 H ILE A 22 1.683 8.452 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 22 0.242 6.201 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 22 2.486 6.464 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.688 4.064 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.317 4.196 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.508 6.094 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.632 7.556 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.509 6.065 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.119 2.892 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.846 4.397 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.237 4.264 -1.938 1.00 0.00 H new ATOM 285 N TYR A 23 1.611 6.704 2.172 1.00 0.00 N ATOM 286 CA TYR A 23 1.587 6.291 3.570 1.00 0.00 C ATOM 287 C TYR A 23 0.164 6.313 4.119 1.00 0.00 C ATOM 288 O TYR A 23 -0.287 5.354 4.745 1.00 0.00 O ATOM 289 CB TYR A 23 2.483 7.204 4.409 1.00 0.00 C ATOM 290 CG TYR A 23 3.942 7.147 4.015 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.664 5.965 4.117 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.598 8.277 3.541 1.00 0.00 C ATOM 293 CE1 TYR A 23 5.997 5.909 3.759 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.930 8.230 3.179 1.00 0.00 C ATOM 295 CZ TYR A 23 6.626 7.044 3.291 1.00 0.00 C ATOM 296 OH TYR A 23 7.953 6.992 2.932 1.00 0.00 O ATOM 0 H TYR A 23 2.144 7.555 1.993 1.00 0.00 H new ATOM 0 HA TYR A 23 1.964 5.270 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.130 8.231 4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.388 6.928 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.175 5.074 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.057 9.208 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.544 4.982 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.424 9.117 2.810 1.00 0.00 H new ATOM 0 HH TYR A 23 8.331 7.896 2.944 1.00 0.00 H new ATOM 306 N ASP A 24 -0.539 7.415 3.880 1.00 0.00 N ATOM 307 CA ASP A 24 -1.912 7.563 4.348 1.00 0.00 C ATOM 308 C ASP A 24 -2.798 6.451 3.796 1.00 0.00 C ATOM 309 O ASP A 24 -3.502 5.776 4.546 1.00 0.00 O ATOM 310 CB ASP A 24 -2.469 8.927 3.938 1.00 0.00 C ATOM 311 CG ASP A 24 -2.187 10.002 4.969 1.00 0.00 C ATOM 312 OD1 ASP A 24 -1.989 9.653 6.151 1.00 0.00 O ATOM 313 OD2 ASP A 24 -2.163 11.192 4.593 1.00 0.00 O ATOM 0 H ASP A 24 -0.180 8.219 3.365 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.908 7.493 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.034 9.221 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.545 8.846 3.787 1.00 0.00 H new ATOM 318 N GLU A 25 -2.757 6.267 2.480 1.00 0.00 N ATOM 319 CA GLU A 25 -3.558 5.238 1.828 1.00 0.00 C ATOM 320 C GLU A 25 -3.355 3.883 2.501 1.00 0.00 C ATOM 321 O GLU A 25 -4.300 3.110 2.659 1.00 0.00 O ATOM 322 CB GLU A 25 -3.196 5.142 0.344 1.00 0.00 C ATOM 323 CG GLU A 25 -3.265 6.472 -0.386 1.00 0.00 C ATOM 324 CD GLU A 25 -3.628 6.316 -1.850 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.534 5.511 -2.153 1.00 0.00 O ATOM 326 OE2 GLU A 25 -3.007 6.997 -2.692 1.00 0.00 O ATOM 0 H GLU A 25 -2.178 6.817 1.845 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.607 5.517 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.188 4.737 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.870 4.436 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.001 7.112 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.302 6.976 -0.306 1.00 0.00 H new ATOM 333 N ILE A 26 -2.117 3.604 2.893 1.00 0.00 N ATOM 334 CA ILE A 26 -1.790 2.344 3.549 1.00 0.00 C ATOM 335 C ILE A 26 -2.473 2.238 4.909 1.00 0.00 C ATOM 336 O ILE A 26 -2.886 1.156 5.324 1.00 0.00 O ATOM 337 CB ILE A 26 -0.270 2.185 3.737 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.427 2.090 2.379 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.034 0.956 4.581 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.874 2.529 2.410 1.00 0.00 C ATOM 0 H ILE A 26 -1.324 4.233 2.768 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.153 1.547 2.900 1.00 0.00 H new ATOM 0 HB ILE A 26 0.110 3.063 4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.376 1.060 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.115 2.702 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.112 0.857 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.435 1.061 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.357 0.068 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.304 2.435 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.932 3.568 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.430 1.901 3.106 1.00 0.00 H new ATOM 352 N GLN A 27 -2.590 3.370 5.596 1.00 0.00 N ATOM 353 CA GLN A 27 -3.224 3.404 6.908 1.00 0.00 C ATOM 354 C GLN A 27 -4.711 3.082 6.803 1.00 0.00 C ATOM 355 O GLN A 27 -5.240 2.289 7.581 1.00 0.00 O ATOM 356 CB GLN A 27 -3.032 4.777 7.555 1.00 0.00 C ATOM 357 CG GLN A 27 -1.574 5.170 7.728 1.00 0.00 C ATOM 358 CD GLN A 27 -1.385 6.286 8.736 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.432 7.526 8.263 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 -1.200 6.037 9.928 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.254 4.275 5.266 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.750 2.646 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.533 5.530 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.519 4.781 8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.002 4.298 8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.170 5.483 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.171 5.069 10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.076 6.799 10.595 1.00 0.00 H new ATOM 369 N GLN A 28 -5.379 3.703 5.836 1.00 0.00 N ATOM 370 CA GLN A 28 -6.805 3.483 5.630 1.00 0.00 C ATOM 371 C GLN A 28 -7.061 2.112 5.013 1.00 0.00 C ATOM 372 O GLN A 28 -7.905 1.354 5.489 1.00 0.00 O ATOM 373 CB GLN A 28 -7.388 4.576 4.733 1.00 0.00 C ATOM 374 CG GLN A 28 -7.391 5.954 5.376 1.00 0.00 C ATOM 375 CD GLN A 28 -8.002 7.014 4.481 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.183 6.949 4.139 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.198 7.999 4.096 1.00 0.00 N ATOM 0 H GLN A 28 -4.955 4.362 5.183 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.296 3.521 6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.815 4.618 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.410 4.307 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.945 5.912 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.368 6.238 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.226 8.013 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.553 8.741 3.493 1.00 0.00 H new ATOM 386 N GLU A 29 -6.326 1.801 3.950 1.00 0.00 N ATOM 387 CA GLU A 29 -6.475 0.521 3.267 1.00 0.00 C ATOM 388 C GLU A 29 -6.552 -0.625 4.271 1.00 0.00 C ATOM 389 O GLU A 29 -7.303 -1.581 4.080 1.00 0.00 O ATOM 390 CB GLU A 29 -5.308 0.293 2.304 1.00 0.00 C ATOM 391 CG GLU A 29 -5.549 -0.832 1.311 1.00 0.00 C ATOM 392 CD GLU A 29 -6.754 -0.580 0.426 1.00 0.00 C ATOM 393 OE1 GLU A 29 -6.794 0.478 -0.235 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.657 -1.443 0.394 1.00 0.00 O ATOM 0 H GLU A 29 -5.622 2.417 3.543 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.405 0.547 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.115 1.215 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.410 0.071 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.664 -0.957 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.690 -1.767 1.854 1.00 0.00 H new ATOM 401 N MET A 30 -5.770 -0.522 5.340 1.00 0.00 N ATOM 402 CA MET A 30 -5.750 -1.549 6.375 1.00 0.00 C ATOM 403 C MET A 30 -7.095 -1.624 7.092 1.00 0.00 C ATOM 404 O MET A 30 -7.736 -2.675 7.122 1.00 0.00 O ATOM 405 CB MET A 30 -4.636 -1.266 7.384 1.00 0.00 C ATOM 406 CG MET A 30 -3.313 -1.926 7.029 1.00 0.00 C ATOM 407 SD MET A 30 -2.021 -1.587 8.240 1.00 0.00 S ATOM 408 CE MET A 30 -1.496 0.046 7.728 1.00 0.00 C ATOM 0 H MET A 30 -5.141 0.263 5.512 1.00 0.00 H new ATOM 0 HA MET A 30 -5.559 -2.509 5.895 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.487 -0.189 7.456 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.952 -1.611 8.368 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.458 -3.003 6.951 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.988 -1.576 6.049 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.106 0.589 8.589 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.716 -0.043 6.971 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.346 0.587 7.312 1.00 0.00 H new ATOM 418 N LYS A 31 -7.516 -0.504 7.669 1.00 0.00 N ATOM 419 CA LYS A 31 -8.784 -0.441 8.386 1.00 0.00 C ATOM 420 C LYS A 31 -9.948 -0.786 7.462 1.00 0.00 C ATOM 421 O LYS A 31 -10.997 -1.246 7.915 1.00 0.00 O ATOM 422 CB LYS A 31 -8.988 0.953 8.982 1.00 0.00 C ATOM 423 CG LYS A 31 -9.709 1.913 8.052 1.00 0.00 C ATOM 424 CD LYS A 31 -11.214 1.865 8.258 1.00 0.00 C ATOM 425 CE LYS A 31 -11.948 2.655 7.187 1.00 0.00 C ATOM 426 NZ LYS A 31 -11.844 4.124 7.411 1.00 0.00 N ATOM 0 H LYS A 31 -6.997 0.374 7.654 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.754 -1.173 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.555 0.863 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.017 1.373 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.349 2.927 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.474 1.664 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.552 0.829 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.461 2.266 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.538 2.407 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.998 2.363 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.358 4.627 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.258 4.365 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.843 4.407 7.396 1.00 0.00 H new ATOM 440 N ARG A 32 -9.756 -0.563 6.167 1.00 0.00 N ATOM 441 CA ARG A 32 -10.790 -0.850 5.180 1.00 0.00 C ATOM 442 C ARG A 32 -10.793 -2.331 4.811 1.00 0.00 C ATOM 443 O ARG A 32 -11.850 -2.933 4.629 1.00 0.00 O ATOM 444 CB ARG A 32 -10.578 -0.001 3.925 1.00 0.00 C ATOM 445 CG ARG A 32 -11.858 0.276 3.154 1.00 0.00 C ATOM 446 CD ARG A 32 -12.644 1.422 3.771 1.00 0.00 C ATOM 447 NE ARG A 32 -13.955 1.584 3.150 1.00 0.00 N ATOM 448 CZ ARG A 32 -14.986 2.167 3.751 1.00 0.00 C ATOM 449 NH1 ARG A 32 -14.859 2.640 4.983 1.00 0.00 N ATOM 450 NH2 ARG A 32 -16.148 2.277 3.120 1.00 0.00 N ATOM 0 H ARG A 32 -8.893 -0.184 5.776 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.756 -0.600 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.123 0.948 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.871 -0.508 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.616 0.516 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.475 -0.622 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.769 1.242 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.077 2.347 3.667 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.087 1.230 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.968 2.557 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.653 3.087 5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.250 1.914 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.939 2.725 3.583 1.00 0.00 H new ATOM 464 N ALA A 33 -9.602 -2.910 4.702 1.00 0.00 N ATOM 465 CA ALA A 33 -9.467 -4.320 4.356 1.00 0.00 C ATOM 466 C ALA A 33 -9.530 -5.199 5.600 1.00 0.00 C ATOM 467 O ALA A 33 -9.649 -6.421 5.505 1.00 0.00 O ATOM 468 CB ALA A 33 -8.165 -4.557 3.605 1.00 0.00 C ATOM 0 H ALA A 33 -8.717 -2.425 4.848 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.301 -4.591 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.077 -5.614 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.159 -3.964 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.324 -4.263 4.233 1.00 0.00 H new ATOM 474 N LYS A 34 -9.449 -4.570 6.768 1.00 0.00 N ATOM 475 CA LYS A 34 -9.497 -5.294 8.033 1.00 0.00 C ATOM 476 C LYS A 34 -8.248 -6.151 8.217 1.00 0.00 C ATOM 477 O LYS A 34 -8.337 -7.327 8.570 1.00 0.00 O ATOM 478 CB LYS A 34 -10.746 -6.175 8.092 1.00 0.00 C ATOM 479 CG LYS A 34 -11.963 -5.552 7.429 1.00 0.00 C ATOM 480 CD LYS A 34 -12.736 -4.673 8.398 1.00 0.00 C ATOM 481 CE LYS A 34 -11.821 -3.687 9.108 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.565 -2.496 9.602 1.00 0.00 N ATOM 0 H LYS A 34 -9.350 -3.559 6.865 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.537 -4.563 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.530 -7.129 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.981 -6.389 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.647 -4.959 6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.615 -6.339 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.511 -4.128 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.241 -5.298 9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.333 -4.184 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.034 -3.366 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.247 -1.650 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.584 -2.634 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.384 -2.371 10.619 1.00 0.00 H new ATOM 496 N VAL A 35 -7.085 -5.553 7.977 1.00 0.00 N ATOM 497 CA VAL A 35 -5.819 -6.261 8.119 1.00 0.00 C ATOM 498 C VAL A 35 -4.848 -5.480 8.998 1.00 0.00 C ATOM 499 O VAL A 35 -5.166 -4.391 9.475 1.00 0.00 O ATOM 500 CB VAL A 35 -5.162 -6.517 6.750 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.155 -7.160 5.793 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.614 -5.222 6.171 1.00 0.00 C ATOM 0 H VAL A 35 -6.994 -4.580 7.683 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.043 -7.218 8.591 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.329 -7.206 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.673 -7.333 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.495 -8.110 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.010 -6.498 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.153 -5.422 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.427 -4.507 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.868 -4.807 6.849 1.00 0.00 H new ATOM 512 N SER A 36 -3.662 -6.043 9.206 1.00 0.00 N ATOM 513 CA SER A 36 -2.645 -5.400 10.030 1.00 0.00 C ATOM 514 C SER A 36 -1.426 -5.024 9.193 1.00 0.00 C ATOM 515 O SER A 36 -1.144 -5.651 8.173 1.00 0.00 O ATOM 516 CB SER A 36 -2.226 -6.326 11.174 1.00 0.00 C ATOM 517 OG SER A 36 -1.158 -5.765 11.918 1.00 0.00 O ATOM 0 H SER A 36 -3.382 -6.943 8.815 1.00 0.00 H new ATOM 0 HA SER A 36 -3.073 -4.488 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.077 -6.505 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.925 -7.293 10.772 1.00 0.00 H new ATOM 0 HG SER A 36 -0.909 -6.375 12.644 1.00 0.00 H new ATOM 523 N GLN A 37 -0.709 -3.995 9.633 1.00 0.00 N ATOM 524 CA GLN A 37 0.479 -3.534 8.925 1.00 0.00 C ATOM 525 C GLN A 37 1.328 -4.712 8.460 1.00 0.00 C ATOM 526 O GLN A 37 1.968 -4.654 7.411 1.00 0.00 O ATOM 527 CB GLN A 37 1.309 -2.614 9.823 1.00 0.00 C ATOM 528 CG GLN A 37 0.482 -1.856 10.847 1.00 0.00 C ATOM 529 CD GLN A 37 1.060 -0.492 11.170 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.884 0.038 10.424 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.628 0.086 12.285 1.00 0.00 N ATOM 0 H GLN A 37 -0.930 -3.465 10.476 1.00 0.00 H new ATOM 0 HA GLN A 37 0.154 -2.976 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.060 -3.209 10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.845 -1.898 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.534 -1.736 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.416 -2.444 11.762 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.056 -0.389 12.874 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.980 1.005 12.552 1.00 0.00 H new ATOM 540 N ALA A 38 1.329 -5.782 9.249 1.00 0.00 N ATOM 541 CA ALA A 38 2.098 -6.975 8.918 1.00 0.00 C ATOM 542 C ALA A 38 1.538 -7.661 7.676 1.00 0.00 C ATOM 543 O ALA A 38 2.290 -8.102 6.806 1.00 0.00 O ATOM 544 CB ALA A 38 2.110 -7.939 10.095 1.00 0.00 C ATOM 0 H ALA A 38 0.806 -5.847 10.122 1.00 0.00 H new ATOM 0 HA ALA A 38 3.122 -6.669 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.688 -8.825 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.563 -7.453 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.088 -8.231 10.337 1.00 0.00 H new ATOM 550 N LEU A 39 0.215 -7.750 7.601 1.00 0.00 N ATOM 551 CA LEU A 39 -0.446 -8.383 6.465 1.00 0.00 C ATOM 552 C LEU A 39 -0.318 -7.524 5.211 1.00 0.00 C ATOM 553 O LEU A 39 0.273 -7.942 4.216 1.00 0.00 O ATOM 554 CB LEU A 39 -1.922 -8.630 6.781 1.00 0.00 C ATOM 555 CG LEU A 39 -2.686 -9.500 5.782 1.00 0.00 C ATOM 556 CD1 LEU A 39 -3.114 -8.679 4.576 1.00 0.00 C ATOM 557 CD2 LEU A 39 -1.836 -10.686 5.349 1.00 0.00 C ATOM 0 H LEU A 39 -0.421 -7.392 8.313 1.00 0.00 H new ATOM 0 HA LEU A 39 0.044 -9.339 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.989 -9.096 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.424 -7.665 6.851 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.582 -9.881 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.656 -9.315 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.761 -7.864 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.232 -8.268 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.395 -11.294 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.922 -10.326 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.581 -11.289 6.221 1.00 0.00 H new ATOM 569 N PHE A 40 -0.876 -6.319 5.268 1.00 0.00 N ATOM 570 CA PHE A 40 -0.824 -5.398 4.138 1.00 0.00 C ATOM 571 C PHE A 40 0.593 -5.304 3.578 1.00 0.00 C ATOM 572 O PHE A 40 0.789 -5.238 2.365 1.00 0.00 O ATOM 573 CB PHE A 40 -1.311 -4.011 4.560 1.00 0.00 C ATOM 574 CG PHE A 40 -1.088 -2.954 3.516 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.192 -2.517 3.216 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.158 -2.399 2.834 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.400 -1.544 2.257 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.957 -1.426 1.873 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.676 -0.999 1.583 1.00 0.00 C ATOM 0 H PHE A 40 -1.369 -5.958 6.084 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.480 -5.783 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.375 -4.063 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.799 -3.718 5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.037 -2.942 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.162 -2.730 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.403 -1.210 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.800 -1.000 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.516 -0.241 0.831 1.00 0.00 H new ATOM 589 N ALA A 41 1.576 -5.298 4.472 1.00 0.00 N ATOM 590 CA ALA A 41 2.975 -5.213 4.068 1.00 0.00 C ATOM 591 C ALA A 41 3.483 -6.560 3.565 1.00 0.00 C ATOM 592 O ALA A 41 4.470 -6.628 2.832 1.00 0.00 O ATOM 593 CB ALA A 41 3.830 -4.724 5.227 1.00 0.00 C ATOM 0 H ALA A 41 1.430 -5.351 5.480 1.00 0.00 H new ATOM 0 HA ALA A 41 3.049 -4.497 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.872 -4.665 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.489 -3.737 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.743 -5.419 6.062 1.00 0.00 H new ATOM 599 N LYS A 42 2.804 -7.630 3.962 1.00 0.00 N ATOM 600 CA LYS A 42 3.185 -8.976 3.552 1.00 0.00 C ATOM 601 C LYS A 42 2.602 -9.313 2.183 1.00 0.00 C ATOM 602 O LYS A 42 3.145 -10.142 1.453 1.00 0.00 O ATOM 603 CB LYS A 42 2.714 -10.000 4.586 1.00 0.00 C ATOM 604 CG LYS A 42 3.170 -11.418 4.290 1.00 0.00 C ATOM 605 CD LYS A 42 2.192 -12.139 3.377 1.00 0.00 C ATOM 606 CE LYS A 42 2.896 -13.171 2.509 1.00 0.00 C ATOM 607 NZ LYS A 42 3.245 -14.397 3.278 1.00 0.00 N ATOM 0 H LYS A 42 1.985 -7.591 4.569 1.00 0.00 H new ATOM 0 HA LYS A 42 4.272 -9.014 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.082 -9.707 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.625 -9.980 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.155 -11.395 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.273 -11.971 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.426 -12.629 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.684 -11.414 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.254 -13.439 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.803 -12.735 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.708 -15.082 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.892 -14.148 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.379 -14.818 3.671 1.00 0.00 H new ATOM 621 N VAL A 43 1.493 -8.665 1.842 1.00 0.00 N ATOM 622 CA VAL A 43 0.837 -8.894 0.560 1.00 0.00 C ATOM 623 C VAL A 43 1.132 -7.763 -0.419 1.00 0.00 C ATOM 624 O VAL A 43 0.946 -7.909 -1.626 1.00 0.00 O ATOM 625 CB VAL A 43 -0.688 -9.029 0.726 1.00 0.00 C ATOM 626 CG1 VAL A 43 -1.024 -10.177 1.666 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.286 -7.724 1.230 1.00 0.00 C ATOM 0 H VAL A 43 1.030 -7.977 2.436 1.00 0.00 H new ATOM 0 HA VAL A 43 1.236 -9.827 0.163 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.124 -9.250 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.106 -10.257 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.629 -11.108 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.578 -9.990 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.364 -7.837 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.846 -7.471 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.077 -6.928 0.515 1.00 0.00 H new ATOM 637 N ALA A 44 1.595 -6.636 0.111 1.00 0.00 N ATOM 638 CA ALA A 44 1.919 -5.480 -0.717 1.00 0.00 C ATOM 639 C ALA A 44 3.402 -5.457 -1.071 1.00 0.00 C ATOM 640 O ALA A 44 3.772 -5.535 -2.243 1.00 0.00 O ATOM 641 CB ALA A 44 1.525 -4.194 -0.005 1.00 0.00 C ATOM 0 H ALA A 44 1.754 -6.498 1.109 1.00 0.00 H new ATOM 0 HA ALA A 44 1.352 -5.558 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.773 -3.339 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.453 -4.201 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.067 -4.119 0.938 1.00 0.00 H new ATOM 647 N ALA A 45 4.248 -5.350 -0.052 1.00 0.00 N ATOM 648 CA ALA A 45 5.691 -5.318 -0.256 1.00 0.00 C ATOM 649 C ALA A 45 6.337 -6.627 0.187 1.00 0.00 C ATOM 650 O ALA A 45 7.542 -6.819 0.030 1.00 0.00 O ATOM 651 CB ALA A 45 6.305 -4.145 0.493 1.00 0.00 C ATOM 0 H ALA A 45 3.959 -5.284 0.924 1.00 0.00 H new ATOM 0 HA ALA A 45 5.879 -5.192 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.383 -4.134 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.874 -3.213 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.099 -4.246 1.559 1.00 0.00 H new ATOM 657 N ASN A 46 5.528 -7.523 0.741 1.00 0.00 N ATOM 658 CA ASN A 46 6.021 -8.814 1.208 1.00 0.00 C ATOM 659 C ASN A 46 7.100 -8.631 2.272 1.00 0.00 C ATOM 660 O ASN A 46 8.007 -9.453 2.400 1.00 0.00 O ATOM 661 CB ASN A 46 6.578 -9.624 0.036 1.00 0.00 C ATOM 662 CG ASN A 46 6.768 -11.088 0.384 1.00 0.00 C ATOM 663 OD1 ASN A 46 5.943 -11.685 1.075 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.859 -11.673 -0.096 1.00 0.00 N ATOM 0 H ASN A 46 4.527 -7.379 0.878 1.00 0.00 H new ATOM 0 HA ASN A 46 5.186 -9.356 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.901 -9.540 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.533 -9.200 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.040 -12.657 0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.516 -11.139 -0.665 1.00 0.00 H new ATOM 671 N LYS A 47 6.994 -7.548 3.034 1.00 0.00 N ATOM 672 CA LYS A 47 7.957 -7.256 4.088 1.00 0.00 C ATOM 673 C LYS A 47 7.361 -7.539 5.463 1.00 0.00 C ATOM 674 O LYS A 47 6.203 -7.939 5.578 1.00 0.00 O ATOM 675 CB LYS A 47 8.408 -5.796 4.007 1.00 0.00 C ATOM 676 CG LYS A 47 9.578 -5.572 3.065 1.00 0.00 C ATOM 677 CD LYS A 47 10.908 -5.801 3.763 1.00 0.00 C ATOM 678 CE LYS A 47 12.021 -4.984 3.125 1.00 0.00 C ATOM 679 NZ LYS A 47 13.362 -5.377 3.639 1.00 0.00 N ATOM 0 H LYS A 47 6.249 -6.857 2.941 1.00 0.00 H new ATOM 0 HA LYS A 47 8.821 -7.905 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.568 -5.183 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.685 -5.454 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.493 -6.245 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.542 -4.555 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.818 -5.535 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.164 -6.860 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.994 -5.116 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.853 -3.925 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.093 -4.797 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.397 -5.228 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.534 -6.381 3.429 1.00 0.00 H new ATOM 693 N SER A 48 8.160 -7.327 6.505 1.00 0.00 N ATOM 694 CA SER A 48 7.711 -7.562 7.872 1.00 0.00 C ATOM 695 C SER A 48 7.092 -6.300 8.465 1.00 0.00 C ATOM 696 O SER A 48 7.515 -5.186 8.157 1.00 0.00 O ATOM 697 CB SER A 48 8.880 -8.027 8.742 1.00 0.00 C ATOM 698 OG SER A 48 9.201 -9.383 8.483 1.00 0.00 O ATOM 0 H SER A 48 9.121 -6.993 6.428 1.00 0.00 H new ATOM 0 HA SER A 48 6.951 -8.343 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.751 -7.401 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.625 -7.905 9.795 1.00 0.00 H new ATOM 0 HG SER A 48 9.952 -9.655 9.050 1.00 0.00 H new ATOM 704 N GLN A 49 6.089 -6.484 9.317 1.00 0.00 N ATOM 705 CA GLN A 49 5.410 -5.361 9.952 1.00 0.00 C ATOM 706 C GLN A 49 6.394 -4.237 10.264 1.00 0.00 C ATOM 707 O GLN A 49 6.215 -3.103 9.824 1.00 0.00 O ATOM 708 CB GLN A 49 4.715 -5.818 11.236 1.00 0.00 C ATOM 709 CG GLN A 49 3.511 -4.969 11.611 1.00 0.00 C ATOM 710 CD GLN A 49 3.018 -5.244 13.018 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.729 -5.832 13.833 1.00 0.00 O ATOM 712 NE2 GLN A 49 1.794 -4.821 13.310 1.00 0.00 N ATOM 0 H GLN A 49 5.729 -7.400 9.584 1.00 0.00 H new ATOM 0 HA GLN A 49 4.661 -4.981 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.396 -6.854 11.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.433 -5.797 12.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.773 -3.915 11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.703 -5.158 10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.239 -4.338 12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.408 -4.979 14.241 1.00 0.00 H new ATOM 721 N GLY A 50 7.433 -4.562 11.028 1.00 0.00 N ATOM 722 CA GLY A 50 8.429 -3.569 11.387 1.00 0.00 C ATOM 723 C GLY A 50 8.783 -2.659 10.228 1.00 0.00 C ATOM 724 O GLY A 50 8.936 -1.450 10.404 1.00 0.00 O ATOM 0 H GLY A 50 7.603 -5.495 11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.056 -2.968 12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.330 -4.073 11.738 1.00 0.00 H new ATOM 728 N TRP A 51 8.916 -3.239 9.041 1.00 0.00 N ATOM 729 CA TRP A 51 9.256 -2.472 7.848 1.00 0.00 C ATOM 730 C TRP A 51 8.116 -1.538 7.458 1.00 0.00 C ATOM 731 O TRP A 51 8.345 -0.444 6.939 1.00 0.00 O ATOM 732 CB TRP A 51 9.582 -3.412 6.687 1.00 0.00 C ATOM 733 CG TRP A 51 9.945 -2.692 5.423 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.202 -2.393 4.982 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.039 -2.180 4.439 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.133 -1.725 3.783 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.817 -1.583 3.428 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.648 -2.170 4.313 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.248 -0.982 2.309 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.084 -1.573 3.201 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.883 -0.987 2.210 1.00 0.00 C ATOM 0 H TRP A 51 8.794 -4.239 8.879 1.00 0.00 H new ATOM 0 HA TRP A 51 10.135 -1.868 8.074 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.408 -4.062 6.976 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.722 -4.054 6.497 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.116 -2.644 5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.932 -1.389 3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.024 -2.621 5.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.862 -0.528 1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.009 -1.558 3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.413 -0.531 1.352 1.00 0.00 H new ATOM 752 N LEU A 52 6.887 -1.975 7.709 1.00 0.00 N ATOM 753 CA LEU A 52 5.710 -1.177 7.384 1.00 0.00 C ATOM 754 C LEU A 52 5.447 -0.130 8.461 1.00 0.00 C ATOM 755 O LEU A 52 5.414 1.069 8.180 1.00 0.00 O ATOM 756 CB LEU A 52 4.485 -2.081 7.225 1.00 0.00 C ATOM 757 CG LEU A 52 3.238 -1.423 6.634 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.777 -0.268 7.510 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.510 -0.942 5.216 1.00 0.00 C ATOM 0 H LEU A 52 6.680 -2.878 8.137 1.00 0.00 H new ATOM 0 HA LEU A 52 5.899 -0.662 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.761 -2.925 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.228 -2.487 8.204 1.00 0.00 H new ATOM 0 HG LEU A 52 2.441 -2.166 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.888 0.188 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.541 -0.639 8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.570 0.476 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.611 -0.476 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.322 -0.215 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.792 -1.790 4.592 1.00 0.00 H new ATOM 771 N CYS A 53 5.263 -0.590 9.693 1.00 0.00 N ATOM 772 CA CYS A 53 5.004 0.308 10.814 1.00 0.00 C ATOM 773 C CYS A 53 5.881 1.552 10.727 1.00 0.00 C ATOM 774 O CYS A 53 5.390 2.677 10.820 1.00 0.00 O ATOM 775 CB CYS A 53 5.251 -0.414 12.139 1.00 0.00 C ATOM 776 SG CYS A 53 4.333 0.274 13.536 1.00 0.00 S ATOM 0 H CYS A 53 5.288 -1.579 9.942 1.00 0.00 H new ATOM 0 HA CYS A 53 3.960 0.618 10.767 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.983 -1.464 12.024 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.317 -0.380 12.366 1.00 0.00 H new ATOM 0 HG CYS A 53 4.606 -0.404 14.611 1.00 0.00 H new ATOM 782 N GLU A 54 7.182 1.342 10.548 1.00 0.00 N ATOM 783 CA GLU A 54 8.128 2.448 10.452 1.00 0.00 C ATOM 784 C GLU A 54 7.687 3.449 9.388 1.00 0.00 C ATOM 785 O GLU A 54 7.535 4.640 9.664 1.00 0.00 O ATOM 786 CB GLU A 54 9.528 1.924 10.126 1.00 0.00 C ATOM 787 CG GLU A 54 10.119 1.047 11.216 1.00 0.00 C ATOM 788 CD GLU A 54 11.249 0.171 10.712 1.00 0.00 C ATOM 789 OE1 GLU A 54 12.148 0.700 10.026 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.234 -1.044 11.003 1.00 0.00 O ATOM 0 H GLU A 54 7.604 0.417 10.467 1.00 0.00 H new ATOM 0 HA GLU A 54 8.154 2.956 11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.487 1.356 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.192 2.771 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.487 1.678 12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.335 0.416 11.635 1.00 0.00 H new ATOM 797 N LEU A 55 7.483 2.958 8.170 1.00 0.00 N ATOM 798 CA LEU A 55 7.060 3.809 7.063 1.00 0.00 C ATOM 799 C LEU A 55 5.996 4.803 7.516 1.00 0.00 C ATOM 800 O LEU A 55 6.028 5.977 7.143 1.00 0.00 O ATOM 801 CB LEU A 55 6.521 2.955 5.915 1.00 0.00 C ATOM 802 CG LEU A 55 7.541 2.526 4.860 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.884 2.225 5.508 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.035 1.315 4.090 1.00 0.00 C ATOM 0 H LEU A 55 7.604 1.975 7.924 1.00 0.00 H new ATOM 0 HA LEU A 55 7.928 4.369 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.067 2.059 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.726 3.511 5.418 1.00 0.00 H new ATOM 0 HG LEU A 55 7.676 3.348 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.598 1.921 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.252 3.118 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.766 1.420 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.774 1.024 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.871 0.488 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.097 1.565 3.594 1.00 0.00 H new ATOM 816 N LEU A 56 5.055 4.327 8.324 1.00 0.00 N ATOM 817 CA LEU A 56 3.982 5.175 8.831 1.00 0.00 C ATOM 818 C LEU A 56 4.476 6.054 9.976 1.00 0.00 C ATOM 819 O LEU A 56 3.934 7.131 10.223 1.00 0.00 O ATOM 820 CB LEU A 56 2.807 4.316 9.303 1.00 0.00 C ATOM 821 CG LEU A 56 2.413 3.157 8.387 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.224 2.402 8.962 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.098 3.665 6.988 1.00 0.00 C ATOM 0 H LEU A 56 5.013 3.359 8.642 1.00 0.00 H new ATOM 0 HA LEU A 56 3.649 5.822 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.051 3.910 10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.939 4.962 9.432 1.00 0.00 H new ATOM 0 HG LEU A 56 3.256 2.470 8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.958 1.581 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.485 2.004 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.376 3.079 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.820 2.826 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.272 4.374 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.977 4.159 6.574 1.00 0.00 H new ATOM 835 N ARG A 57 5.508 5.586 10.670 1.00 0.00 N ATOM 836 CA ARG A 57 6.076 6.330 11.789 1.00 0.00 C ATOM 837 C ARG A 57 6.933 7.490 11.290 1.00 0.00 C ATOM 838 O ARG A 57 6.679 8.649 11.622 1.00 0.00 O ATOM 839 CB ARG A 57 6.915 5.404 12.671 1.00 0.00 C ATOM 840 CG ARG A 57 7.764 6.142 13.694 1.00 0.00 C ATOM 841 CD ARG A 57 8.560 5.176 14.558 1.00 0.00 C ATOM 842 NE ARG A 57 8.796 5.707 15.897 1.00 0.00 N ATOM 843 CZ ARG A 57 9.787 5.303 16.684 1.00 0.00 C ATOM 844 NH1 ARG A 57 10.630 4.368 16.267 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.938 5.835 17.890 1.00 0.00 N ATOM 0 H ARG A 57 5.968 4.696 10.478 1.00 0.00 H new ATOM 0 HA ARG A 57 5.254 6.735 12.379 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.252 4.713 13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.566 4.803 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.446 6.820 13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.122 6.754 14.327 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.024 4.230 14.633 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.516 4.964 14.079 1.00 0.00 H new ATOM 0 HE ARG A 57 8.165 6.428 16.248 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.518 3.957 15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.390 4.060 16.873 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.293 6.555 18.214 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.699 5.524 18.493 1.00 0.00 H new ATOM 859 N TRP A 58 7.947 7.171 10.494 1.00 0.00 N ATOM 860 CA TRP A 58 8.841 8.187 9.951 1.00 0.00 C ATOM 861 C TRP A 58 8.198 8.902 8.768 1.00 0.00 C ATOM 862 O TRP A 58 8.230 10.129 8.679 1.00 0.00 O ATOM 863 CB TRP A 58 10.165 7.553 9.522 1.00 0.00 C ATOM 864 CG TRP A 58 10.849 6.802 10.625 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.755 5.465 10.887 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.731 7.346 11.613 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.525 5.145 11.980 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.134 6.282 12.443 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.220 8.628 11.877 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.002 6.463 13.516 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.081 8.806 12.943 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.466 7.728 13.752 1.00 0.00 C ATOM 0 H TRP A 58 8.171 6.217 10.210 1.00 0.00 H new ATOM 0 HA TRP A 58 9.034 8.921 10.733 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.982 6.874 8.689 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.832 8.334 9.156 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.163 4.763 10.319 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.627 4.213 12.381 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.930 9.465 11.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.299 5.633 14.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.464 9.793 13.157 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.142 7.899 14.577 1.00 0.00 H new ATOM 883 N LYS A 59 7.615 8.127 7.860 1.00 0.00 N ATOM 884 CA LYS A 59 6.963 8.686 6.682 1.00 0.00 C ATOM 885 C LYS A 59 7.932 9.549 5.881 1.00 0.00 C ATOM 886 O LYS A 59 7.613 10.679 5.515 1.00 0.00 O ATOM 887 CB LYS A 59 5.745 9.516 7.094 1.00 0.00 C ATOM 888 CG LYS A 59 4.599 8.684 7.642 1.00 0.00 C ATOM 889 CD LYS A 59 3.276 9.427 7.551 1.00 0.00 C ATOM 890 CE LYS A 59 2.095 8.488 7.744 1.00 0.00 C ATOM 891 NZ LYS A 59 1.701 8.380 9.176 1.00 0.00 N ATOM 0 H LYS A 59 7.581 7.109 7.917 1.00 0.00 H new ATOM 0 HA LYS A 59 6.636 7.859 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.049 10.242 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.392 10.081 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.530 7.748 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.801 8.425 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.246 10.212 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.198 9.916 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.247 8.846 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.351 7.500 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.842 7.799 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.471 7.936 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.514 9.329 9.557 1.00 0.00 H new ATOM 905 N GLU A 60 9.116 9.007 5.613 1.00 0.00 N ATOM 906 CA GLU A 60 10.131 9.729 4.854 1.00 0.00 C ATOM 907 C GLU A 60 9.555 10.266 3.547 1.00 0.00 C ATOM 908 O GLU A 60 8.428 9.943 3.175 1.00 0.00 O ATOM 909 CB GLU A 60 11.325 8.818 4.562 1.00 0.00 C ATOM 910 CG GLU A 60 12.410 8.875 5.625 1.00 0.00 C ATOM 911 CD GLU A 60 12.207 7.846 6.720 1.00 0.00 C ATOM 912 OE1 GLU A 60 11.678 6.756 6.418 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.578 8.131 7.878 1.00 0.00 O ATOM 0 H GLU A 60 9.396 8.072 5.910 1.00 0.00 H new ATOM 0 HA GLU A 60 10.466 10.573 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.973 7.791 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.756 9.095 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.381 8.715 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.429 9.871 6.067 1.00 0.00 H new ATOM 920 N ASN A 61 10.337 11.088 2.856 1.00 0.00 N ATOM 921 CA ASN A 61 9.905 11.672 1.591 1.00 0.00 C ATOM 922 C ASN A 61 10.264 10.761 0.421 1.00 0.00 C ATOM 923 O ASN A 61 11.434 10.546 0.106 1.00 0.00 O ATOM 924 CB ASN A 61 10.544 13.048 1.395 1.00 0.00 C ATOM 925 CG ASN A 61 10.651 13.433 -0.068 1.00 0.00 C ATOM 926 OD1 ASN A 61 11.736 13.739 -0.563 1.00 0.00 O ATOM 927 ND2 ASN A 61 9.522 13.420 -0.766 1.00 0.00 N ATOM 0 H ASN A 61 11.273 11.365 3.150 1.00 0.00 H new ATOM 0 HA ASN A 61 8.821 11.784 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.955 13.798 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.538 13.051 1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.531 13.670 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.646 13.160 -0.314 1.00 0.00 H new ATOM 934 N PRO A 62 9.233 10.212 -0.239 1.00 0.00 N ATOM 935 CA PRO A 62 9.414 9.316 -1.385 1.00 0.00 C ATOM 936 C PRO A 62 9.940 10.048 -2.615 1.00 0.00 C ATOM 937 O PRO A 62 9.542 11.179 -2.894 1.00 0.00 O ATOM 938 CB PRO A 62 8.004 8.781 -1.643 1.00 0.00 C ATOM 939 CG PRO A 62 7.095 9.828 -1.098 1.00 0.00 C ATOM 940 CD PRO A 62 7.812 10.424 0.082 1.00 0.00 C ATOM 0 HA PRO A 62 10.149 8.537 -1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.830 8.621 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.847 7.823 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.880 10.588 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.140 9.398 -0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.580 11.483 0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.533 9.931 1.013 1.00 0.00 H new ATOM 948 N SER A 63 10.836 9.395 -3.349 1.00 0.00 N ATOM 949 CA SER A 63 11.418 9.986 -4.548 1.00 0.00 C ATOM 950 C SER A 63 12.084 8.918 -5.411 1.00 0.00 C ATOM 951 O SER A 63 12.441 7.838 -4.941 1.00 0.00 O ATOM 952 CB SER A 63 12.439 11.060 -4.169 1.00 0.00 C ATOM 953 OG SER A 63 11.825 12.333 -4.066 1.00 0.00 O ATOM 0 H SER A 63 11.174 8.457 -3.134 1.00 0.00 H new ATOM 0 HA SER A 63 10.614 10.446 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.908 10.801 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.231 11.094 -4.917 1.00 0.00 H new ATOM 0 HG SER A 63 10.938 12.237 -3.660 1.00 0.00 H new ATOM 959 N PRO A 64 12.255 9.226 -6.705 1.00 0.00 N ATOM 960 CA PRO A 64 12.879 8.307 -7.662 1.00 0.00 C ATOM 961 C PRO A 64 14.371 8.129 -7.406 1.00 0.00 C ATOM 962 O PRO A 64 15.048 7.390 -8.120 1.00 0.00 O ATOM 963 CB PRO A 64 12.645 8.989 -9.013 1.00 0.00 C ATOM 964 CG PRO A 64 12.506 10.436 -8.687 1.00 0.00 C ATOM 965 CD PRO A 64 11.853 10.495 -7.334 1.00 0.00 C ATOM 0 HA PRO A 64 12.458 7.304 -7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.478 8.815 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.749 8.605 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.479 10.928 -8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.901 10.948 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.197 11.355 -6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.769 10.578 -7.414 1.00 0.00 H new ATOM 973 N GLU A 65 14.877 8.811 -6.384 1.00 0.00 N ATOM 974 CA GLU A 65 16.291 8.728 -6.035 1.00 0.00 C ATOM 975 C GLU A 65 16.544 7.579 -5.063 1.00 0.00 C ATOM 976 O GLU A 65 17.532 6.856 -5.185 1.00 0.00 O ATOM 977 CB GLU A 65 16.766 10.045 -5.419 1.00 0.00 C ATOM 978 CG GLU A 65 17.059 11.126 -6.447 1.00 0.00 C ATOM 979 CD GLU A 65 18.057 12.152 -5.945 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.088 11.745 -5.371 1.00 0.00 O ATOM 981 OE2 GLU A 65 17.806 13.362 -6.126 1.00 0.00 O ATOM 0 H GLU A 65 14.330 9.427 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 65 16.854 8.540 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.005 10.409 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.666 9.859 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.445 10.663 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.130 11.629 -6.715 1.00 0.00 H new ATOM 988 N ASN A 66 15.645 7.419 -4.098 1.00 0.00 N ATOM 989 CA ASN A 66 15.771 6.360 -3.103 1.00 0.00 C ATOM 990 C ASN A 66 15.286 5.026 -3.665 1.00 0.00 C ATOM 991 O ASN A 66 14.089 4.829 -3.877 1.00 0.00 O ATOM 992 CB ASN A 66 14.976 6.715 -1.845 1.00 0.00 C ATOM 993 CG ASN A 66 15.449 5.947 -0.626 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.122 4.923 -0.746 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.099 6.440 0.556 1.00 0.00 N ATOM 0 H ASN A 66 14.821 8.009 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 66 16.825 6.264 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.063 7.785 -1.653 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.920 6.506 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.389 5.967 1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.540 7.292 0.608 1.00 0.00 H new ATOM 1002 N ARG A 67 16.223 4.115 -3.902 1.00 0.00 N ATOM 1003 CA ARG A 67 15.892 2.800 -4.439 1.00 0.00 C ATOM 1004 C ARG A 67 15.165 1.955 -3.397 1.00 0.00 C ATOM 1005 O ARG A 67 13.978 1.660 -3.539 1.00 0.00 O ATOM 1006 CB ARG A 67 17.160 2.080 -4.901 1.00 0.00 C ATOM 1007 CG ARG A 67 17.640 2.514 -6.277 1.00 0.00 C ATOM 1008 CD ARG A 67 17.038 1.651 -7.375 1.00 0.00 C ATOM 1009 NE ARG A 67 17.868 0.487 -7.672 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.899 0.514 -8.509 1.00 0.00 C ATOM 1011 NH1 ARG A 67 19.225 1.640 -9.128 1.00 0.00 N ATOM 1012 NH2 ARG A 67 19.607 -0.587 -8.728 1.00 0.00 N ATOM 0 H ARG A 67 17.218 4.263 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 67 15.231 2.940 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.954 2.259 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.974 1.006 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.372 3.557 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.727 2.453 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.044 1.320 -7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.914 2.248 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 67 17.644 -0.395 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.684 2.488 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 67 20.017 1.658 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.360 -1.455 -8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.398 -0.565 -9.371 1.00 0.00 H new ATOM 1026 N THR A 68 15.886 1.566 -2.350 1.00 0.00 N ATOM 1027 CA THR A 68 15.312 0.753 -1.286 1.00 0.00 C ATOM 1028 C THR A 68 13.917 1.243 -0.912 1.00 0.00 C ATOM 1029 O THR A 68 13.054 0.454 -0.525 1.00 0.00 O ATOM 1030 CB THR A 68 16.201 0.764 -0.028 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.550 0.437 -0.379 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.687 -0.225 1.007 1.00 0.00 C ATOM 0 H THR A 68 16.869 1.801 -2.217 1.00 0.00 H new ATOM 0 HA THR A 68 15.247 -0.266 -1.667 1.00 0.00 H new ATOM 0 HB THR A 68 16.170 1.765 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.109 0.448 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.331 -0.199 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.670 0.044 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.691 -1.229 0.584 1.00 0.00 H new ATOM 1040 N LEU A 69 13.702 2.548 -1.031 1.00 0.00 N ATOM 1041 CA LEU A 69 12.410 3.143 -0.706 1.00 0.00 C ATOM 1042 C LEU A 69 11.491 3.146 -1.923 1.00 0.00 C ATOM 1043 O LEU A 69 10.482 2.441 -1.952 1.00 0.00 O ATOM 1044 CB LEU A 69 12.600 4.572 -0.192 1.00 0.00 C ATOM 1045 CG LEU A 69 11.567 5.062 0.823 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.450 4.084 1.982 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.933 6.449 1.329 1.00 0.00 C ATOM 0 H LEU A 69 14.405 3.215 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 69 11.946 2.541 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.589 4.646 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.590 5.249 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 69 10.599 5.122 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.710 4.450 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.140 3.109 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.416 3.991 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.187 6.782 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.911 6.415 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.964 7.146 0.491 1.00 0.00 H new ATOM 1059 N TRP A 70 11.847 3.942 -2.925 1.00 0.00 N ATOM 1060 CA TRP A 70 11.054 4.034 -4.146 1.00 0.00 C ATOM 1061 C TRP A 70 10.617 2.652 -4.617 1.00 0.00 C ATOM 1062 O TRP A 70 9.441 2.427 -4.901 1.00 0.00 O ATOM 1063 CB TRP A 70 11.855 4.732 -5.246 1.00 0.00 C ATOM 1064 CG TRP A 70 11.031 5.088 -6.446 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.933 4.382 -7.611 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.190 6.237 -6.599 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.082 5.023 -8.479 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.613 6.163 -7.881 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.868 7.320 -5.776 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.733 7.132 -8.358 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 8.995 8.280 -6.251 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.436 8.181 -7.532 1.00 0.00 C ATOM 0 H TRP A 70 12.679 4.532 -2.916 1.00 0.00 H new ATOM 0 HA TRP A 70 10.162 4.621 -3.927 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.303 5.639 -4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.674 4.083 -5.556 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.448 3.456 -7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.839 4.702 -9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.294 7.405 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.301 7.058 -9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.739 9.121 -5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.757 8.948 -7.874 1.00 0.00 H new ATOM 1083 N GLU A 71 11.571 1.730 -4.697 1.00 0.00 N ATOM 1084 CA GLU A 71 11.282 0.369 -5.135 1.00 0.00 C ATOM 1085 C GLU A 71 10.078 -0.198 -4.389 1.00 0.00 C ATOM 1086 O GLU A 71 9.018 -0.415 -4.975 1.00 0.00 O ATOM 1087 CB GLU A 71 12.501 -0.530 -4.917 1.00 0.00 C ATOM 1088 CG GLU A 71 13.659 -0.223 -5.852 1.00 0.00 C ATOM 1089 CD GLU A 71 14.492 -1.449 -6.171 1.00 0.00 C ATOM 1090 OE1 GLU A 71 14.959 -2.112 -5.221 1.00 0.00 O ATOM 1091 OE2 GLU A 71 14.676 -1.746 -7.370 1.00 0.00 O ATOM 0 H GLU A 71 12.550 1.900 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 71 11.047 0.399 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.840 -0.425 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.203 -1.570 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.271 0.199 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.296 0.536 -5.398 1.00 0.00 H new ATOM 1098 N ASN A 72 10.251 -0.437 -3.094 1.00 0.00 N ATOM 1099 CA ASN A 72 9.179 -0.981 -2.267 1.00 0.00 C ATOM 1100 C ASN A 72 7.901 -0.162 -2.425 1.00 0.00 C ATOM 1101 O ASN A 72 6.837 -0.703 -2.726 1.00 0.00 O ATOM 1102 CB ASN A 72 9.603 -1.006 -0.797 1.00 0.00 C ATOM 1103 CG ASN A 72 10.749 -1.966 -0.543 1.00 0.00 C ATOM 1104 OD1 ASN A 72 11.674 -1.566 0.322 1.00 0.00 O flip ATOM 1105 ND2 ASN A 72 10.802 -3.053 -1.117 1.00 0.00 N flip ATOM 0 H ASN A 72 11.123 -0.263 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 72 8.980 -2.000 -2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.898 -0.003 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.750 -1.291 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.069 -3.319 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.579 -3.688 -0.936 1.00 0.00 H new ATOM 1112 N LEU A 73 8.015 1.146 -2.221 1.00 0.00 N ATOM 1113 CA LEU A 73 6.869 2.041 -2.341 1.00 0.00 C ATOM 1114 C LEU A 73 6.229 1.925 -3.721 1.00 0.00 C ATOM 1115 O LEU A 73 5.075 2.306 -3.915 1.00 0.00 O ATOM 1116 CB LEU A 73 7.298 3.487 -2.086 1.00 0.00 C ATOM 1117 CG LEU A 73 7.474 3.886 -0.620 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.694 5.386 -0.498 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.266 3.454 0.199 1.00 0.00 C ATOM 0 H LEU A 73 8.889 1.610 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 73 6.132 1.749 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.240 3.662 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.558 4.149 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 73 8.355 3.377 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.817 5.651 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.590 5.669 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.833 5.914 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.409 3.746 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.370 3.935 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.153 2.372 0.138 1.00 0.00 H new ATOM 1131 N CYS A 74 6.986 1.394 -4.675 1.00 0.00 N ATOM 1132 CA CYS A 74 6.493 1.226 -6.037 1.00 0.00 C ATOM 1133 C CYS A 74 5.477 0.091 -6.111 1.00 0.00 C ATOM 1134 O CYS A 74 4.381 0.257 -6.648 1.00 0.00 O ATOM 1135 CB CYS A 74 7.655 0.949 -6.992 1.00 0.00 C ATOM 1136 SG CYS A 74 7.320 1.395 -8.712 1.00 0.00 S ATOM 0 H CYS A 74 7.943 1.073 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 74 6.000 2.151 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.532 1.499 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.905 -0.111 -6.945 1.00 0.00 H new ATOM 0 HG CYS A 74 8.362 1.126 -9.441 1.00 0.00 H new ATOM 1142 N THR A 75 5.847 -1.065 -5.569 1.00 0.00 N ATOM 1143 CA THR A 75 4.970 -2.229 -5.575 1.00 0.00 C ATOM 1144 C THR A 75 3.714 -1.975 -4.749 1.00 0.00 C ATOM 1145 O THR A 75 2.608 -2.325 -5.161 1.00 0.00 O ATOM 1146 CB THR A 75 5.688 -3.477 -5.028 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.153 -4.657 -5.638 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.538 -3.568 -3.517 1.00 0.00 C ATOM 0 H THR A 75 6.750 -1.220 -5.120 1.00 0.00 H new ATOM 0 HA THR A 75 4.689 -2.408 -6.613 1.00 0.00 H new ATOM 0 HB THR A 75 6.748 -3.394 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.616 -5.446 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.053 -4.457 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.973 -2.682 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.481 -3.630 -3.259 1.00 0.00 H new ATOM 1156 N ILE A 76 3.893 -1.364 -3.583 1.00 0.00 N ATOM 1157 CA ILE A 76 2.773 -1.062 -2.700 1.00 0.00 C ATOM 1158 C ILE A 76 1.792 -0.102 -3.365 1.00 0.00 C ATOM 1159 O ILE A 76 0.586 -0.165 -3.123 1.00 0.00 O ATOM 1160 CB ILE A 76 3.253 -0.450 -1.371 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.332 -1.331 -0.738 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.081 -0.270 -0.417 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.766 -0.863 0.633 1.00 0.00 C ATOM 0 H ILE A 76 4.802 -1.068 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 76 2.270 -2.007 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 76 3.685 0.530 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.958 -2.352 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.201 -1.357 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.436 0.163 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.344 0.394 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.623 -1.239 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.532 -1.534 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.170 0.147 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.909 -0.864 1.306 1.00 0.00 H new ATOM 1175 N ARG A 77 2.317 0.784 -4.204 1.00 0.00 N ATOM 1176 CA ARG A 77 1.488 1.758 -4.904 1.00 0.00 C ATOM 1177 C ARG A 77 0.582 1.069 -5.921 1.00 0.00 C ATOM 1178 O ARG A 77 -0.579 1.443 -6.086 1.00 0.00 O ATOM 1179 CB ARG A 77 2.366 2.795 -5.608 1.00 0.00 C ATOM 1180 CG ARG A 77 1.601 3.686 -6.573 1.00 0.00 C ATOM 1181 CD ARG A 77 0.822 4.765 -5.837 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.298 5.267 -6.628 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.835 6.471 -6.460 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -0.356 7.291 -5.535 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.852 6.856 -7.219 1.00 0.00 N ATOM 0 H ARG A 77 3.313 0.848 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 77 0.862 2.262 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.850 3.419 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.157 2.279 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.298 4.151 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.915 3.079 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.449 4.364 -4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.490 5.590 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.690 4.661 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.427 6.998 -4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.770 8.215 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.223 6.228 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.264 7.780 -7.090 1.00 0.00 H new ATOM 1199 N ARG A 78 1.122 0.061 -6.599 1.00 0.00 N ATOM 1200 CA ARG A 78 0.363 -0.679 -7.600 1.00 0.00 C ATOM 1201 C ARG A 78 -0.750 -1.494 -6.947 1.00 0.00 C ATOM 1202 O ARG A 78 -1.808 -1.707 -7.539 1.00 0.00 O ATOM 1203 CB ARG A 78 1.289 -1.604 -8.392 1.00 0.00 C ATOM 1204 CG ARG A 78 1.960 -0.925 -9.575 1.00 0.00 C ATOM 1205 CD ARG A 78 3.268 -1.609 -9.941 1.00 0.00 C ATOM 1206 NE ARG A 78 3.049 -2.868 -10.648 1.00 0.00 N ATOM 1207 CZ ARG A 78 3.944 -3.419 -11.462 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.111 -2.825 -11.668 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.671 -4.566 -12.070 1.00 0.00 N ATOM 0 H ARG A 78 2.081 -0.262 -6.473 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.090 0.041 -8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.057 -1.994 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.715 -2.458 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.288 -0.939 -10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.150 0.121 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.864 -0.942 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.844 -1.798 -9.035 1.00 0.00 H new ATOM 0 HE ARG A 78 2.161 -3.351 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.324 -1.943 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.796 -3.250 -12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.774 -5.026 -11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.358 -4.988 -12.694 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.503 -1.948 -5.722 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.482 -2.740 -4.989 1.00 0.00 C ATOM 1225 C PHE A 79 -2.738 -1.923 -4.702 1.00 0.00 C ATOM 1226 O PHE A 79 -3.856 -2.364 -4.975 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.880 -3.248 -3.677 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.639 -4.394 -3.073 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.974 -4.253 -2.728 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.019 -5.613 -2.849 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.675 -5.306 -2.171 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.715 -6.669 -2.292 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.045 -6.516 -1.954 1.00 0.00 C ATOM 0 H PHE A 79 0.367 -1.780 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.758 -3.593 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.150 -3.558 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.846 -2.427 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.472 -3.310 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.021 -5.739 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.715 -5.183 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.219 -7.613 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.592 -7.341 -1.521 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.547 -0.730 -4.149 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.664 0.150 -3.824 1.00 0.00 C ATOM 1245 C LEU A 80 -4.484 0.472 -5.069 1.00 0.00 C ATOM 1246 O LEU A 80 -5.696 0.668 -4.992 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.151 1.444 -3.189 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.163 1.279 -2.034 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.517 2.612 -1.690 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.860 0.691 -0.816 1.00 0.00 C ATOM 0 H LEU A 80 -1.629 -0.350 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.307 -0.368 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.675 2.042 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.008 2.013 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.379 0.589 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.817 2.475 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.983 2.993 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.288 3.325 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.142 0.581 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.665 1.356 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.274 -0.285 -1.069 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.814 0.523 -6.216 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.482 0.819 -7.478 1.00 0.00 C ATOM 1264 C ASN A 81 -5.531 -0.241 -7.801 1.00 0.00 C ATOM 1265 O ASN A 81 -6.434 -0.011 -8.606 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.459 0.902 -8.613 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.917 2.306 -8.801 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.673 3.276 -8.831 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.600 2.419 -8.930 1.00 0.00 N ATOM 0 H ASN A 81 -2.810 0.363 -6.297 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.983 1.782 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.633 0.222 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.922 0.567 -9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.177 3.338 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.011 1.587 -8.899 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.405 -1.402 -7.168 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.342 -2.498 -7.386 1.00 0.00 C ATOM 1278 C LEU A 82 -7.712 -2.167 -6.804 1.00 0.00 C ATOM 1279 O LEU A 82 -7.841 -1.388 -5.860 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.806 -3.786 -6.758 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.525 -4.351 -7.374 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.011 -5.524 -6.554 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.767 -4.770 -8.816 1.00 0.00 C ATOM 0 H LEU A 82 -4.663 -1.609 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.450 -2.643 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.626 -3.602 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.583 -4.548 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.765 -3.569 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.099 -5.913 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.798 -5.192 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.767 -6.309 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.845 -5.170 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.542 -5.536 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.088 -3.905 -9.397 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.762 -2.774 -7.378 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.141 -2.561 -6.931 1.00 0.00 C ATOM 1297 C PRO A 83 -10.409 -3.178 -5.562 1.00 0.00 C ATOM 1298 O PRO A 83 -9.835 -4.210 -5.215 1.00 0.00 O ATOM 1299 CB PRO A 83 -10.975 -3.263 -8.006 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.067 -4.298 -8.574 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.682 -3.715 -8.508 1.00 0.00 C ATOM 0 HA PRO A 83 -10.373 -1.502 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.871 -3.714 -7.580 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.304 -2.561 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.128 -5.225 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.341 -4.537 -9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.930 -4.485 -8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.415 -3.208 -9.435 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.283 -2.540 -4.791 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.625 -3.028 -3.460 1.00 0.00 C ATOM 1311 C GLN A 84 -11.863 -4.534 -3.477 1.00 0.00 C ATOM 1312 O GLN A 84 -11.381 -5.259 -2.606 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.869 -2.309 -2.935 1.00 0.00 C ATOM 1314 CG GLN A 84 -12.899 -2.172 -1.421 1.00 0.00 C ATOM 1315 CD GLN A 84 -13.848 -1.087 -0.952 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -14.889 -0.849 -1.565 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -13.493 -0.422 0.141 1.00 0.00 N ATOM 0 H GLN A 84 -11.767 -1.685 -5.064 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.786 -2.819 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.921 -1.316 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.757 -2.852 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.195 -3.124 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.894 -1.952 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.621 -0.652 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.092 0.319 0.504 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.611 -4.999 -4.473 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.912 -6.420 -4.603 1.00 0.00 C ATOM 1328 C HIS A 85 -11.631 -7.239 -4.728 1.00 0.00 C ATOM 1329 O HIS A 85 -11.574 -8.390 -4.297 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.808 -6.664 -5.818 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.048 -6.975 -7.070 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.783 -6.034 -8.043 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.493 -8.130 -7.505 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.099 -6.598 -9.023 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.910 -7.870 -8.720 1.00 0.00 N ATOM 0 H HIS A 85 -13.019 -4.413 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.438 -6.738 -3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.485 -7.490 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.425 -5.782 -5.987 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.506 -9.080 -6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.753 -6.103 -9.919 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.412 -8.549 -9.296 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.606 -6.637 -5.323 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.326 -7.311 -5.506 1.00 0.00 C ATOM 1346 C GLU A 86 -8.544 -7.360 -4.197 1.00 0.00 C ATOM 1347 O GLU A 86 -8.337 -8.430 -3.625 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.500 -6.602 -6.581 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.723 -7.149 -7.981 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.910 -8.400 -8.254 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -7.907 -9.305 -7.394 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.276 -8.473 -9.328 1.00 0.00 O ATOM 0 H GLU A 86 -10.637 -5.684 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.526 -8.333 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.744 -5.540 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.443 -6.689 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.782 -7.371 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.462 -6.384 -8.712 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.112 -6.193 -3.729 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.351 -6.102 -2.489 1.00 0.00 C ATOM 1361 C ARG A 87 -7.946 -7.013 -1.418 1.00 0.00 C ATOM 1362 O ARG A 87 -7.222 -7.734 -0.731 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.325 -4.657 -1.987 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.160 -3.630 -3.095 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.580 -2.328 -2.566 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.061 -1.170 -3.315 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.204 -0.547 -3.051 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.978 -0.967 -2.061 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.573 0.500 -3.778 1.00 0.00 N ATOM 0 H ARG A 87 -8.276 -5.298 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.331 -6.427 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.250 -4.452 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.509 -4.544 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.508 -4.032 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.127 -3.437 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.844 -2.215 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.492 -2.368 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.488 -0.821 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.697 -1.771 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.855 -0.487 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.979 0.827 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.451 0.978 -3.575 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.266 -6.973 -1.282 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.958 -7.795 -0.296 1.00 0.00 C ATOM 1385 C ASP A 88 -9.647 -9.274 -0.506 1.00 0.00 C ATOM 1386 O ASP A 88 -9.468 -10.024 0.454 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.468 -7.563 -0.376 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.930 -6.441 0.533 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.193 -5.441 0.662 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.028 -6.563 1.116 1.00 0.00 O ATOM 0 H ASP A 88 -9.879 -6.380 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.605 -7.505 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.743 -7.330 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.989 -8.482 -0.107 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.585 -9.687 -1.768 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.296 -11.076 -2.104 1.00 0.00 C ATOM 1397 C VAL A 89 -7.886 -11.464 -1.671 1.00 0.00 C ATOM 1398 O VAL A 89 -7.681 -12.514 -1.062 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.444 -11.330 -3.616 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.156 -12.787 -3.944 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.835 -10.933 -4.089 1.00 0.00 C ATOM 0 H VAL A 89 -9.731 -9.080 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.020 -11.689 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.716 -10.714 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.266 -12.947 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.138 -13.033 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.858 -13.426 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.922 -11.119 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.582 -11.521 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.998 -9.874 -3.890 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.919 -10.610 -1.989 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.529 -10.863 -1.631 1.00 0.00 C ATOM 1413 C ILE A 90 -5.370 -11.020 -0.122 1.00 0.00 C ATOM 1414 O ILE A 90 -4.775 -11.987 0.353 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.607 -9.730 -2.118 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.677 -9.605 -3.641 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.176 -9.980 -1.666 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.269 -8.243 -4.156 1.00 0.00 C ATOM 0 H ILE A 90 -7.073 -9.737 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.240 -11.792 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.946 -8.792 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.033 -10.362 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.695 -9.818 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.537 -9.171 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.141 -10.023 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.824 -10.926 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.343 -8.228 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.928 -7.483 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.241 -8.035 -3.860 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.908 -10.063 0.626 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.825 -10.094 2.082 1.00 0.00 C ATOM 1432 C TYR A 91 -6.490 -11.349 2.639 1.00 0.00 C ATOM 1433 O TYR A 91 -5.943 -12.017 3.515 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.483 -8.848 2.677 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.987 -7.554 2.072 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.630 -7.261 2.025 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.877 -6.624 1.548 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.173 -6.079 1.473 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.429 -5.441 0.993 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.076 -5.173 0.959 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.625 -3.995 0.408 1.00 0.00 O ATOM 0 H TYR A 91 -6.406 -9.257 0.249 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.771 -10.109 2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.562 -8.915 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.302 -8.830 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.920 -7.969 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.937 -6.830 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.115 -5.866 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.134 -4.730 0.588 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.137 -4.187 -0.420 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.674 -11.662 2.122 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.414 -12.837 2.567 1.00 0.00 C ATOM 1453 C GLU A 92 -7.625 -14.114 2.293 1.00 0.00 C ATOM 1454 O GLU A 92 -7.341 -14.888 3.206 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.774 -12.905 1.869 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.740 -11.818 2.310 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.334 -12.085 3.679 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -11.665 -13.256 3.963 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -11.467 -11.125 4.466 1.00 0.00 O ATOM 0 H GLU A 92 -8.141 -11.119 1.396 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.569 -12.751 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.624 -12.831 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.224 -13.879 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.221 -10.860 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.544 -11.734 1.579 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.274 -14.326 1.028 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.519 -15.509 0.633 1.00 0.00 C ATOM 1468 C GLU A 93 -5.247 -15.645 1.465 1.00 0.00 C ATOM 1469 O GLU A 93 -4.897 -16.739 1.907 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.164 -15.443 -0.854 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.377 -15.433 -1.769 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.916 -16.824 -2.038 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.172 -17.650 -2.608 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -9.083 -17.088 -1.679 1.00 0.00 O ATOM 0 H GLU A 93 -7.500 -13.694 0.260 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.145 -16.384 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.573 -14.546 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.535 -16.297 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.161 -14.824 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.110 -14.962 -2.715 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.560 -14.526 1.673 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.327 -14.521 2.450 1.00 0.00 C ATOM 1483 C GLU A 94 -3.608 -14.819 3.920 1.00 0.00 C ATOM 1484 O GLU A 94 -3.195 -15.853 4.446 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.620 -13.170 2.319 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.432 -13.011 3.252 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.253 -13.876 2.848 1.00 0.00 C ATOM 1488 OE1 GLU A 94 0.088 -13.889 1.647 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.328 -14.538 3.732 1.00 0.00 O ATOM 0 H GLU A 94 -4.837 -13.612 1.314 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.678 -15.303 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.282 -13.045 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.337 -12.374 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.123 -11.966 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.735 -13.267 4.267 1.00 0.00 H new