USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 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 37 GLN : amide:sc= -1.62 K(o=-1.6,f=-6.7!) USER MOD Set 1.2: A 53 CYS SG : rot 51:sc=0.000452 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.0461 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.381 K(o=-0.43,f=-1.2) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Set 3.2: A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -162:sc= 1.33 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -108:sc= -3.14! (180deg=-5.43!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 1.02 (180deg=-0.722) USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= 0.246 (180deg=-0.953!) USER MOD Single : A 46 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 0.438 (180deg=0.128) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.1! C(o=-1.1!,f=-7.2!) USER MOD Single : A 63 SER OG : rot 36:sc= 0.563 USER MOD Single : A 66 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 72 ASN : amide:sc= -1.95! K(o=-2!,f=-1.2) 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= -0.774 K(o=-0.77,f=-0.1) USER MOD Single : A 84 GLN : amide:sc= -2.87 K(o=-2.9,f=-7!) USER MOD Single : A 85 HIS : no HD1:sc= -5.02! C(o=-5!,f=-5.7!) USER MOD Single : A 91 TYR OH : rot 72:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.279 5.302 -12.562 1.00 0.00 N ATOM 181 CA ILE A 16 4.443 5.548 -11.393 1.00 0.00 C ATOM 182 C ILE A 16 4.985 6.708 -10.564 1.00 0.00 C ATOM 183 O ILE A 16 6.173 6.756 -10.248 1.00 0.00 O ATOM 184 CB ILE A 16 4.340 4.297 -10.501 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.627 3.168 -11.247 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.611 4.628 -9.207 1.00 0.00 C ATOM 187 CD1 ILE A 16 3.562 1.874 -10.467 1.00 0.00 C ATOM 0 HA ILE A 16 3.450 5.802 -11.763 1.00 0.00 H new ATOM 0 HB ILE A 16 5.347 3.962 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.614 3.487 -11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.139 2.988 -12.192 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.546 3.734 -8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.157 5.403 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.607 4.984 -9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.043 1.119 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.573 1.531 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.023 2.038 -9.534 1.00 0.00 H new ATOM 199 N ASN A 17 4.104 7.639 -10.213 1.00 0.00 N ATOM 200 CA ASN A 17 4.494 8.799 -9.419 1.00 0.00 C ATOM 201 C ASN A 17 4.146 8.592 -7.948 1.00 0.00 C ATOM 202 O ASN A 17 2.999 8.775 -7.539 1.00 0.00 O ATOM 203 CB ASN A 17 3.805 10.059 -9.945 1.00 0.00 C ATOM 204 CG ASN A 17 4.519 11.328 -9.522 1.00 0.00 C ATOM 205 OD1 ASN A 17 4.174 11.940 -8.511 1.00 0.00 O ATOM 206 ND2 ASN A 17 5.519 11.731 -10.298 1.00 0.00 N ATOM 0 H ASN A 17 3.116 7.613 -10.465 1.00 0.00 H new ATOM 0 HA ASN A 17 5.574 8.921 -9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.759 10.017 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.777 10.086 -9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.035 12.579 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.771 11.192 -11.127 1.00 0.00 H new ATOM 213 N ILE A 18 5.144 8.211 -7.157 1.00 0.00 N ATOM 214 CA ILE A 18 4.944 7.981 -5.732 1.00 0.00 C ATOM 215 C ILE A 18 4.899 9.298 -4.964 1.00 0.00 C ATOM 216 O ILE A 18 5.489 10.295 -5.382 1.00 0.00 O ATOM 217 CB ILE A 18 6.057 7.095 -5.143 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.286 5.869 -6.029 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.703 6.672 -3.725 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.108 4.920 -6.064 1.00 0.00 C ATOM 0 H ILE A 18 6.099 8.055 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 18 3.988 7.468 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 18 6.981 7.673 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.506 6.200 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.165 5.332 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.500 6.046 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.586 7.557 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.770 6.109 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.341 4.074 -6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.901 4.560 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.232 5.441 -6.450 1.00 0.00 H new ATOM 232 N THR A 19 4.194 9.295 -3.837 1.00 0.00 N ATOM 233 CA THR A 19 4.071 10.489 -3.009 1.00 0.00 C ATOM 234 C THR A 19 3.841 10.123 -1.548 1.00 0.00 C ATOM 235 O THR A 19 3.337 9.044 -1.240 1.00 0.00 O ATOM 236 CB THR A 19 2.918 11.389 -3.490 1.00 0.00 C ATOM 237 OG1 THR A 19 1.678 10.676 -3.420 1.00 0.00 O ATOM 238 CG2 THR A 19 3.157 11.862 -4.915 1.00 0.00 C ATOM 0 H THR A 19 3.699 8.479 -3.476 1.00 0.00 H new ATOM 0 HA THR A 19 5.010 11.035 -3.100 1.00 0.00 H new ATOM 0 HB THR A 19 2.873 12.262 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.950 11.256 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.329 12.496 -5.232 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.086 12.430 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.228 10.999 -5.578 1.00 0.00 H new ATOM 246 N ALA A 20 4.213 11.030 -0.650 1.00 0.00 N ATOM 247 CA ALA A 20 4.044 10.803 0.780 1.00 0.00 C ATOM 248 C ALA A 20 2.676 10.202 1.083 1.00 0.00 C ATOM 249 O ALA A 20 2.539 9.364 1.973 1.00 0.00 O ATOM 250 CB ALA A 20 4.233 12.104 1.547 1.00 0.00 C ATOM 0 H ALA A 20 4.633 11.928 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 20 4.804 10.091 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.104 11.920 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.235 12.492 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.495 12.834 1.213 1.00 0.00 H new ATOM 256 N ALA A 21 1.666 10.636 0.336 1.00 0.00 N ATOM 257 CA ALA A 21 0.308 10.139 0.524 1.00 0.00 C ATOM 258 C ALA A 21 0.294 8.621 0.664 1.00 0.00 C ATOM 259 O ALA A 21 -0.465 8.069 1.461 1.00 0.00 O ATOM 260 CB ALA A 21 -0.577 10.573 -0.634 1.00 0.00 C ATOM 0 H ALA A 21 1.762 11.330 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.085 10.566 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.588 10.195 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.600 11.662 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.178 10.174 -1.566 1.00 0.00 H new ATOM 266 N ILE A 22 1.136 7.951 -0.117 1.00 0.00 N ATOM 267 CA ILE A 22 1.219 6.497 -0.079 1.00 0.00 C ATOM 268 C ILE A 22 1.109 5.977 1.350 1.00 0.00 C ATOM 269 O ILE A 22 0.486 4.945 1.600 1.00 0.00 O ATOM 270 CB ILE A 22 2.536 5.992 -0.697 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.460 4.485 -0.954 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.709 6.321 0.214 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.351 4.020 -2.084 1.00 0.00 C ATOM 0 H ILE A 22 1.770 8.393 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 22 0.383 6.118 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 22 2.689 6.497 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.736 3.955 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.429 4.215 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.633 5.958 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.772 7.401 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.564 5.841 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.246 2.942 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.061 4.523 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.389 4.259 -1.851 1.00 0.00 H new ATOM 285 N TYR A 23 1.717 6.699 2.285 1.00 0.00 N ATOM 286 CA TYR A 23 1.688 6.310 3.690 1.00 0.00 C ATOM 287 C TYR A 23 0.265 6.354 4.238 1.00 0.00 C ATOM 288 O TYR A 23 -0.196 5.408 4.877 1.00 0.00 O ATOM 289 CB TYR A 23 2.593 7.229 4.513 1.00 0.00 C ATOM 290 CG TYR A 23 4.051 7.154 4.120 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.763 5.967 4.238 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.716 8.271 3.629 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.095 5.895 3.880 1.00 0.00 C ATOM 294 CE2 TYR A 23 6.048 8.208 3.268 1.00 0.00 C ATOM 295 CZ TYR A 23 6.733 7.018 3.395 1.00 0.00 C ATOM 296 OH TYR A 23 8.060 6.950 3.037 1.00 0.00 O ATOM 0 H TYR A 23 2.236 7.557 2.095 1.00 0.00 H new ATOM 0 HA TYR A 23 2.055 5.286 3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.248 8.257 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.496 6.971 5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.267 5.086 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.182 9.204 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.634 4.965 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.550 9.086 2.888 1.00 0.00 H new ATOM 0 HH TYR A 23 8.434 7.855 2.996 1.00 0.00 H new ATOM 306 N ASP A 24 -0.426 7.460 3.984 1.00 0.00 N ATOM 307 CA ASP A 24 -1.797 7.629 4.450 1.00 0.00 C ATOM 308 C ASP A 24 -2.711 6.567 3.846 1.00 0.00 C ATOM 309 O ASP A 24 -3.549 5.991 4.537 1.00 0.00 O ATOM 310 CB ASP A 24 -2.311 9.025 4.094 1.00 0.00 C ATOM 311 CG ASP A 24 -2.011 10.045 5.173 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.132 9.700 6.367 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.653 11.190 4.824 1.00 0.00 O ATOM 0 H ASP A 24 -0.059 8.253 3.458 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.803 7.514 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.857 9.348 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.388 8.981 3.929 1.00 0.00 H new ATOM 318 N GLU A 25 -2.542 6.316 2.551 1.00 0.00 N ATOM 319 CA GLU A 25 -3.354 5.324 1.854 1.00 0.00 C ATOM 320 C GLU A 25 -3.200 3.948 2.495 1.00 0.00 C ATOM 321 O GLU A 25 -4.162 3.185 2.589 1.00 0.00 O ATOM 322 CB GLU A 25 -2.960 5.258 0.377 1.00 0.00 C ATOM 323 CG GLU A 25 -3.006 6.604 -0.326 1.00 0.00 C ATOM 324 CD GLU A 25 -3.305 6.479 -1.807 1.00 0.00 C ATOM 325 OE1 GLU A 25 -2.347 6.356 -2.598 1.00 0.00 O ATOM 326 OE2 GLU A 25 -4.498 6.504 -2.175 1.00 0.00 O ATOM 0 H GLU A 25 -1.852 6.785 1.964 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.398 5.627 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.953 4.850 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.627 4.566 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.766 7.229 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.051 7.112 -0.194 1.00 0.00 H new ATOM 333 N ILE A 26 -1.985 3.638 2.933 1.00 0.00 N ATOM 334 CA ILE A 26 -1.706 2.354 3.565 1.00 0.00 C ATOM 335 C ILE A 26 -2.455 2.217 4.886 1.00 0.00 C ATOM 336 O ILE A 26 -2.953 1.142 5.219 1.00 0.00 O ATOM 337 CB ILE A 26 -0.198 2.170 3.822 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.569 2.159 2.498 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.053 0.884 4.596 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.989 2.667 2.619 1.00 0.00 C ATOM 0 H ILE A 26 -1.178 4.258 2.862 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.047 1.582 2.875 1.00 0.00 H new ATOM 0 HB ILE A 26 0.159 3.008 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.588 1.142 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.033 2.770 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.123 0.767 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.468 0.927 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.316 0.035 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.473 2.631 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.978 3.695 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.541 2.041 3.321 1.00 0.00 H new ATOM 352 N GLN A 27 -2.533 3.314 5.632 1.00 0.00 N ATOM 353 CA GLN A 27 -3.224 3.316 6.917 1.00 0.00 C ATOM 354 C GLN A 27 -4.710 3.027 6.736 1.00 0.00 C ATOM 355 O GLN A 27 -5.261 2.135 7.380 1.00 0.00 O ATOM 356 CB GLN A 27 -3.036 4.662 7.619 1.00 0.00 C ATOM 357 CG GLN A 27 -1.580 5.019 7.870 1.00 0.00 C ATOM 358 CD GLN A 27 -1.419 6.126 8.893 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.175 5.867 10.072 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.553 7.370 8.446 1.00 0.00 N ATOM 0 H GLN A 27 -2.127 4.212 5.370 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.792 2.529 7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.494 5.445 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.566 4.643 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.046 4.132 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.118 5.326 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.755 7.539 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.454 8.156 9.088 1.00 0.00 H new ATOM 369 N GLN A 28 -5.353 3.787 5.856 1.00 0.00 N ATOM 370 CA GLN A 28 -6.777 3.612 5.592 1.00 0.00 C ATOM 371 C GLN A 28 -7.046 2.265 4.929 1.00 0.00 C ATOM 372 O GLN A 28 -7.908 1.507 5.372 1.00 0.00 O ATOM 373 CB GLN A 28 -7.295 4.744 4.702 1.00 0.00 C ATOM 374 CG GLN A 28 -7.327 6.096 5.395 1.00 0.00 C ATOM 375 CD GLN A 28 -7.971 7.173 4.544 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.019 7.715 4.896 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.345 7.489 3.416 1.00 0.00 N ATOM 0 H GLN A 28 -4.911 4.530 5.314 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.304 3.639 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.666 4.815 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.300 4.496 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.873 6.006 6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.309 6.396 5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.478 7.014 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.731 8.207 2.802 1.00 0.00 H new ATOM 386 N GLU A 29 -6.302 1.974 3.866 1.00 0.00 N ATOM 387 CA GLU A 29 -6.463 0.719 3.143 1.00 0.00 C ATOM 388 C GLU A 29 -6.529 -0.461 4.108 1.00 0.00 C ATOM 389 O GLU A 29 -7.216 -1.449 3.852 1.00 0.00 O ATOM 390 CB GLU A 29 -5.309 0.521 2.157 1.00 0.00 C ATOM 391 CG GLU A 29 -5.570 -0.561 1.123 1.00 0.00 C ATOM 392 CD GLU A 29 -6.700 -0.204 0.177 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.874 -0.302 0.591 1.00 0.00 O ATOM 394 OE2 GLU A 29 -6.410 0.174 -0.978 1.00 0.00 O ATOM 0 H GLU A 29 -5.583 2.590 3.487 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.401 0.766 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.115 1.463 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.406 0.270 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.661 -0.735 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.809 -1.495 1.632 1.00 0.00 H new ATOM 401 N MET A 30 -5.808 -0.349 5.219 1.00 0.00 N ATOM 402 CA MET A 30 -5.785 -1.406 6.224 1.00 0.00 C ATOM 403 C MET A 30 -7.126 -1.501 6.944 1.00 0.00 C ATOM 404 O MET A 30 -7.787 -2.540 6.912 1.00 0.00 O ATOM 405 CB MET A 30 -4.666 -1.152 7.237 1.00 0.00 C ATOM 406 CG MET A 30 -3.343 -1.797 6.856 1.00 0.00 C ATOM 407 SD MET A 30 -2.090 -1.623 8.140 1.00 0.00 S ATOM 408 CE MET A 30 -1.411 -0.017 7.735 1.00 0.00 C ATOM 0 H MET A 30 -5.233 0.462 5.446 1.00 0.00 H new ATOM 0 HA MET A 30 -5.598 -2.352 5.716 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.520 -0.077 7.342 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.977 -1.528 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.505 -2.856 6.653 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.977 -1.348 5.933 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.414 -0.140 7.313 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.055 0.477 7.008 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.350 0.591 8.638 1.00 0.00 H new ATOM 418 N LYS A 31 -7.523 -0.412 7.593 1.00 0.00 N ATOM 419 CA LYS A 31 -8.785 -0.372 8.321 1.00 0.00 C ATOM 420 C LYS A 31 -9.955 -0.701 7.399 1.00 0.00 C ATOM 421 O LYS A 31 -11.013 -1.138 7.854 1.00 0.00 O ATOM 422 CB LYS A 31 -8.991 1.008 8.951 1.00 0.00 C ATOM 423 CG LYS A 31 -9.724 1.985 8.048 1.00 0.00 C ATOM 424 CD LYS A 31 -11.231 1.864 8.203 1.00 0.00 C ATOM 425 CE LYS A 31 -11.950 3.075 7.628 1.00 0.00 C ATOM 426 NZ LYS A 31 -11.790 3.165 6.150 1.00 0.00 N ATOM 0 H LYS A 31 -6.988 0.456 7.630 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.744 -1.123 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.550 0.894 9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.020 1.427 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.414 3.003 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.448 1.800 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.578 0.961 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.482 1.758 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.010 3.019 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.561 3.982 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.294 4.003 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.780 3.244 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.184 2.311 5.706 1.00 0.00 H new ATOM 440 N ARG A 32 -9.758 -0.490 6.102 1.00 0.00 N ATOM 441 CA ARG A 32 -10.797 -0.764 5.116 1.00 0.00 C ATOM 442 C ARG A 32 -10.812 -2.243 4.740 1.00 0.00 C ATOM 443 O ARG A 32 -11.875 -2.846 4.595 1.00 0.00 O ATOM 444 CB ARG A 32 -10.581 0.089 3.865 1.00 0.00 C ATOM 445 CG ARG A 32 -11.869 0.447 3.143 1.00 0.00 C ATOM 446 CD ARG A 32 -11.757 1.789 2.435 1.00 0.00 C ATOM 447 NE ARG A 32 -12.865 2.014 1.511 1.00 0.00 N ATOM 448 CZ ARG A 32 -12.803 2.850 0.480 1.00 0.00 C ATOM 449 NH1 ARG A 32 -11.693 3.535 0.243 1.00 0.00 N ATOM 450 NH2 ARG A 32 -13.854 3.001 -0.317 1.00 0.00 N ATOM 0 H ARG A 32 -8.888 -0.130 5.709 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.760 -0.509 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.065 1.007 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.926 -0.448 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.108 -0.330 2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.691 0.479 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.734 2.589 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.815 1.833 1.889 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.733 1.502 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.883 3.421 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.649 4.176 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.710 2.475 -0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.806 3.643 -1.108 1.00 0.00 H new ATOM 464 N ALA A 33 -9.625 -2.820 4.583 1.00 0.00 N ATOM 465 CA ALA A 33 -9.502 -4.228 4.226 1.00 0.00 C ATOM 466 C ALA A 33 -9.503 -5.112 5.468 1.00 0.00 C ATOM 467 O ALA A 33 -9.549 -6.339 5.370 1.00 0.00 O ATOM 468 CB ALA A 33 -8.236 -4.457 3.413 1.00 0.00 C ATOM 0 H ALA A 33 -8.735 -2.334 4.697 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.365 -4.500 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.156 -5.513 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.276 -3.861 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.367 -4.162 4.002 1.00 0.00 H new ATOM 474 N LYS A 34 -9.451 -4.483 6.637 1.00 0.00 N ATOM 475 CA LYS A 34 -9.447 -5.211 7.899 1.00 0.00 C ATOM 476 C LYS A 34 -8.179 -6.049 8.040 1.00 0.00 C ATOM 477 O LYS A 34 -8.235 -7.219 8.419 1.00 0.00 O ATOM 478 CB LYS A 34 -10.680 -6.113 7.996 1.00 0.00 C ATOM 479 CG LYS A 34 -11.924 -5.511 7.367 1.00 0.00 C ATOM 480 CD LYS A 34 -12.667 -4.617 8.346 1.00 0.00 C ATOM 481 CE LYS A 34 -11.723 -3.653 9.047 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.453 -2.503 9.651 1.00 0.00 N ATOM 0 H LYS A 34 -9.411 -3.469 6.736 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.473 -4.483 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.462 -7.065 7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.881 -6.328 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.644 -4.934 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.584 -6.309 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.435 -4.054 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.177 -5.232 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.174 -4.184 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.987 -3.282 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.196 -1.628 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.478 -2.660 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.196 -2.417 10.655 1.00 0.00 H new ATOM 496 N VAL A 35 -7.037 -5.442 7.732 1.00 0.00 N ATOM 497 CA VAL A 35 -5.756 -6.131 7.827 1.00 0.00 C ATOM 498 C VAL A 35 -4.810 -5.406 8.777 1.00 0.00 C ATOM 499 O VAL A 35 -5.126 -4.327 9.280 1.00 0.00 O ATOM 500 CB VAL A 35 -5.083 -6.256 6.447 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.068 -6.790 5.418 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.516 -4.915 6.008 1.00 0.00 C ATOM 0 H VAL A 35 -6.973 -4.475 7.415 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.962 -7.128 8.215 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.259 -6.965 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.574 -6.871 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.422 -7.773 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.915 -6.109 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.044 -5.022 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.321 -4.183 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.776 -4.578 6.734 1.00 0.00 H new ATOM 512 N SER A 36 -3.649 -6.005 9.020 1.00 0.00 N ATOM 513 CA SER A 36 -2.657 -5.417 9.913 1.00 0.00 C ATOM 514 C SER A 36 -1.425 -4.965 9.135 1.00 0.00 C ATOM 515 O SER A 36 -1.134 -5.484 8.058 1.00 0.00 O ATOM 516 CB SER A 36 -2.253 -6.423 10.992 1.00 0.00 C ATOM 517 OG SER A 36 -1.021 -6.060 11.592 1.00 0.00 O ATOM 0 H SER A 36 -3.372 -6.897 8.611 1.00 0.00 H new ATOM 0 HA SER A 36 -3.104 -4.544 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.031 -6.476 11.754 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.169 -7.417 10.553 1.00 0.00 H new ATOM 0 HG SER A 36 -0.785 -6.718 12.279 1.00 0.00 H new ATOM 523 N GLN A 37 -0.706 -3.994 9.690 1.00 0.00 N ATOM 524 CA GLN A 37 0.494 -3.471 9.048 1.00 0.00 C ATOM 525 C GLN A 37 1.382 -4.606 8.549 1.00 0.00 C ATOM 526 O GLN A 37 2.047 -4.480 7.521 1.00 0.00 O ATOM 527 CB GLN A 37 1.274 -2.587 10.022 1.00 0.00 C ATOM 528 CG GLN A 37 0.397 -1.894 11.052 1.00 0.00 C ATOM 529 CD GLN A 37 0.987 -0.584 11.534 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.980 -0.099 10.991 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.377 -0.002 12.561 1.00 0.00 N ATOM 0 H GLN A 37 -0.934 -3.554 10.582 1.00 0.00 H new ATOM 0 HA GLN A 37 0.186 -2.871 8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.015 -3.197 10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.821 -1.833 9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.586 -1.708 10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.251 -2.558 11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.443 -0.439 12.981 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.729 0.882 12.929 1.00 0.00 H new ATOM 540 N ALA A 38 1.389 -5.713 9.284 1.00 0.00 N ATOM 541 CA ALA A 38 2.195 -6.870 8.914 1.00 0.00 C ATOM 542 C ALA A 38 1.660 -7.529 7.647 1.00 0.00 C ATOM 543 O ALA A 38 2.429 -7.928 6.771 1.00 0.00 O ATOM 544 CB ALA A 38 2.232 -7.874 10.058 1.00 0.00 C ATOM 0 H ALA A 38 0.846 -5.833 10.139 1.00 0.00 H new ATOM 0 HA ALA A 38 3.210 -6.526 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.837 -8.733 9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.667 -7.404 10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.218 -8.204 10.285 1.00 0.00 H new ATOM 550 N LEU A 39 0.340 -7.641 7.556 1.00 0.00 N ATOM 551 CA LEU A 39 -0.298 -8.253 6.395 1.00 0.00 C ATOM 552 C LEU A 39 -0.173 -7.354 5.169 1.00 0.00 C ATOM 553 O LEU A 39 0.458 -7.722 4.178 1.00 0.00 O ATOM 554 CB LEU A 39 -1.772 -8.535 6.688 1.00 0.00 C ATOM 555 CG LEU A 39 -2.563 -9.208 5.565 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.842 -10.455 5.078 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.969 -9.552 6.035 1.00 0.00 C ATOM 0 H LEU A 39 -0.310 -7.316 8.272 1.00 0.00 H new ATOM 0 HA LEU A 39 0.210 -9.194 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.831 -9.165 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.260 -7.592 6.934 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.641 -8.509 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.419 -10.921 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.856 -10.182 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.733 -11.158 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.517 -10.030 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.912 -10.232 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.486 -8.640 6.334 1.00 0.00 H new ATOM 569 N PHE A 40 -0.778 -6.174 5.243 1.00 0.00 N ATOM 570 CA PHE A 40 -0.735 -5.221 4.140 1.00 0.00 C ATOM 571 C PHE A 40 0.671 -5.132 3.554 1.00 0.00 C ATOM 572 O PHE A 40 0.843 -5.005 2.342 1.00 0.00 O ATOM 573 CB PHE A 40 -1.190 -3.839 4.613 1.00 0.00 C ATOM 574 CG PHE A 40 -1.049 -2.771 3.567 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.202 -2.289 3.214 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.166 -2.248 2.936 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.334 -1.305 2.253 1.00 0.00 C ATOM 578 CE2 PHE A 40 -2.040 -1.265 1.973 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.788 -0.794 1.630 1.00 0.00 C ATOM 0 H PHE A 40 -1.305 -5.854 6.056 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.413 -5.573 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.233 -3.896 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.610 -3.555 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.083 -2.687 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.148 -2.613 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.314 -0.936 1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.919 -0.866 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.686 -0.027 0.876 1.00 0.00 H new ATOM 589 N ALA A 41 1.674 -5.200 4.423 1.00 0.00 N ATOM 590 CA ALA A 41 3.065 -5.129 3.992 1.00 0.00 C ATOM 591 C ALA A 41 3.558 -6.487 3.504 1.00 0.00 C ATOM 592 O ALA A 41 4.497 -6.570 2.711 1.00 0.00 O ATOM 593 CB ALA A 41 3.943 -4.623 5.127 1.00 0.00 C ATOM 0 H ALA A 41 1.549 -5.304 5.430 1.00 0.00 H new ATOM 0 HA ALA A 41 3.127 -4.429 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.979 -4.575 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.612 -3.629 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.868 -5.302 5.976 1.00 0.00 H new ATOM 599 N LYS A 42 2.921 -7.550 3.982 1.00 0.00 N ATOM 600 CA LYS A 42 3.294 -8.905 3.594 1.00 0.00 C ATOM 601 C LYS A 42 2.673 -9.277 2.251 1.00 0.00 C ATOM 602 O LYS A 42 3.208 -10.109 1.518 1.00 0.00 O ATOM 603 CB LYS A 42 2.852 -9.904 4.666 1.00 0.00 C ATOM 604 CG LYS A 42 3.246 -11.339 4.360 1.00 0.00 C ATOM 605 CD LYS A 42 2.191 -12.039 3.519 1.00 0.00 C ATOM 606 CE LYS A 42 2.808 -13.100 2.621 1.00 0.00 C ATOM 607 NZ LYS A 42 2.034 -13.279 1.361 1.00 0.00 N ATOM 0 H LYS A 42 2.143 -7.499 4.640 1.00 0.00 H new ATOM 0 HA LYS A 42 4.379 -8.942 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.286 -9.613 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.769 -9.849 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.200 -11.351 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.390 -11.885 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.450 -12.500 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.665 -11.305 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.834 -12.820 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.853 -14.048 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.691 -13.391 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.436 -14.126 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.434 -12.445 1.201 1.00 0.00 H new ATOM 621 N VAL A 43 1.543 -8.654 1.934 1.00 0.00 N ATOM 622 CA VAL A 43 0.851 -8.918 0.678 1.00 0.00 C ATOM 623 C VAL A 43 1.103 -7.804 -0.332 1.00 0.00 C ATOM 624 O VAL A 43 0.814 -7.952 -1.519 1.00 0.00 O ATOM 625 CB VAL A 43 -0.667 -9.067 0.894 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.975 -10.347 1.656 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.223 -7.855 1.624 1.00 0.00 C ATOM 0 H VAL A 43 1.087 -7.963 2.530 1.00 0.00 H new ATOM 0 HA VAL A 43 1.248 -9.855 0.288 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.151 -9.128 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.052 -10.435 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.613 -11.204 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.481 -10.320 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.296 -7.978 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.735 -7.759 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.036 -6.958 1.034 1.00 0.00 H new ATOM 637 N ALA A 44 1.643 -6.689 0.147 1.00 0.00 N ATOM 638 CA ALA A 44 1.936 -5.550 -0.714 1.00 0.00 C ATOM 639 C ALA A 44 3.419 -5.496 -1.066 1.00 0.00 C ATOM 640 O ALA A 44 3.789 -5.517 -2.240 1.00 0.00 O ATOM 641 CB ALA A 44 1.503 -4.255 -0.043 1.00 0.00 C ATOM 0 H ALA A 44 1.887 -6.550 1.128 1.00 0.00 H new ATOM 0 HA ALA A 44 1.373 -5.672 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.728 -3.413 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.431 -4.287 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.039 -4.136 0.898 1.00 0.00 H new ATOM 647 N ALA A 45 4.263 -5.425 -0.042 1.00 0.00 N ATOM 648 CA ALA A 45 5.706 -5.368 -0.244 1.00 0.00 C ATOM 649 C ALA A 45 6.375 -6.659 0.214 1.00 0.00 C ATOM 650 O ALA A 45 7.587 -6.823 0.079 1.00 0.00 O ATOM 651 CB ALA A 45 6.296 -4.175 0.493 1.00 0.00 C ATOM 0 H ALA A 45 3.973 -5.406 0.936 1.00 0.00 H new ATOM 0 HA ALA A 45 5.894 -5.250 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.374 -4.145 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.848 -3.256 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.090 -4.268 1.559 1.00 0.00 H new ATOM 657 N ASN A 46 5.578 -7.573 0.758 1.00 0.00 N ATOM 658 CA ASN A 46 6.094 -8.850 1.239 1.00 0.00 C ATOM 659 C ASN A 46 7.191 -8.637 2.277 1.00 0.00 C ATOM 660 O ASN A 46 8.113 -9.445 2.397 1.00 0.00 O ATOM 661 CB ASN A 46 6.635 -9.677 0.070 1.00 0.00 C ATOM 662 CG ASN A 46 6.791 -11.143 0.424 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.007 -11.694 1.197 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.807 -11.783 -0.143 1.00 0.00 N ATOM 0 H ASN A 46 4.572 -7.453 0.877 1.00 0.00 H new ATOM 0 HA ASN A 46 5.274 -9.392 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.962 -9.581 -0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.600 -9.276 -0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.962 -12.771 0.056 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.432 -11.286 -0.778 1.00 0.00 H new ATOM 671 N LYS A 47 7.086 -7.544 3.025 1.00 0.00 N ATOM 672 CA LYS A 47 8.067 -7.224 4.055 1.00 0.00 C ATOM 673 C LYS A 47 7.519 -7.533 5.444 1.00 0.00 C ATOM 674 O LYS A 47 6.423 -8.077 5.583 1.00 0.00 O ATOM 675 CB LYS A 47 8.465 -5.749 3.969 1.00 0.00 C ATOM 676 CG LYS A 47 9.588 -5.479 2.983 1.00 0.00 C ATOM 677 CD LYS A 47 10.951 -5.575 3.649 1.00 0.00 C ATOM 678 CE LYS A 47 11.965 -4.661 2.978 1.00 0.00 C ATOM 679 NZ LYS A 47 13.192 -4.493 3.805 1.00 0.00 N ATOM 0 H LYS A 47 6.331 -6.864 2.937 1.00 0.00 H new ATOM 0 HA LYS A 47 8.948 -7.843 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.592 -5.162 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.770 -5.405 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.532 -6.194 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.463 -4.486 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.862 -5.310 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.305 -6.605 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.236 -5.071 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.512 -3.686 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.007 -4.313 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.066 -3.689 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.361 -5.359 4.356 1.00 0.00 H new ATOM 693 N SER A 48 8.287 -7.182 6.471 1.00 0.00 N ATOM 694 CA SER A 48 7.878 -7.424 7.849 1.00 0.00 C ATOM 695 C SER A 48 7.236 -6.178 8.452 1.00 0.00 C ATOM 696 O SER A 48 7.637 -5.054 8.153 1.00 0.00 O ATOM 697 CB SER A 48 9.081 -7.850 8.693 1.00 0.00 C ATOM 698 OG SER A 48 9.872 -6.732 9.055 1.00 0.00 O ATOM 0 H SER A 48 9.196 -6.729 6.374 1.00 0.00 H new ATOM 0 HA SER A 48 7.141 -8.227 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.736 -8.361 9.592 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.687 -8.563 8.134 1.00 0.00 H new ATOM 0 HG SER A 48 10.633 -7.031 9.595 1.00 0.00 H new ATOM 704 N GLN A 49 6.236 -6.388 9.303 1.00 0.00 N ATOM 705 CA GLN A 49 5.538 -5.282 9.948 1.00 0.00 C ATOM 706 C GLN A 49 6.501 -4.146 10.275 1.00 0.00 C ATOM 707 O GLN A 49 6.283 -3.001 9.881 1.00 0.00 O ATOM 708 CB GLN A 49 4.846 -5.763 11.224 1.00 0.00 C ATOM 709 CG GLN A 49 3.607 -4.959 11.585 1.00 0.00 C ATOM 710 CD GLN A 49 2.893 -5.504 12.806 1.00 0.00 C ATOM 711 OE1 GLN A 49 1.756 -5.968 12.719 1.00 0.00 O ATOM 712 NE2 GLN A 49 3.558 -5.451 13.954 1.00 0.00 N ATOM 0 H GLN A 49 5.892 -7.313 9.561 1.00 0.00 H new ATOM 0 HA GLN A 49 4.786 -4.907 9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.567 -6.810 11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.554 -5.715 12.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.891 -3.923 11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.921 -4.957 10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.499 -5.058 13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.128 -5.803 14.809 1.00 0.00 H new ATOM 721 N GLY A 50 7.568 -4.471 10.999 1.00 0.00 N ATOM 722 CA GLY A 50 8.549 -3.467 11.367 1.00 0.00 C ATOM 723 C GLY A 50 8.895 -2.545 10.215 1.00 0.00 C ATOM 724 O GLY A 50 9.031 -1.335 10.398 1.00 0.00 O ATOM 0 H GLY A 50 7.770 -5.412 11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.165 -2.876 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.455 -3.960 11.718 1.00 0.00 H new ATOM 728 N TRP A 51 9.041 -3.117 9.025 1.00 0.00 N ATOM 729 CA TRP A 51 9.376 -2.338 7.838 1.00 0.00 C ATOM 730 C TRP A 51 8.208 -1.451 7.422 1.00 0.00 C ATOM 731 O TRP A 51 8.403 -0.386 6.835 1.00 0.00 O ATOM 732 CB TRP A 51 9.763 -3.266 6.686 1.00 0.00 C ATOM 733 CG TRP A 51 10.062 -2.537 5.411 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.291 -2.152 4.956 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.115 -2.105 4.429 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.164 -1.506 3.750 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.839 -1.465 3.404 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.725 -2.197 4.314 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.220 -0.921 2.283 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.111 -1.656 3.200 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.858 -1.025 2.196 1.00 0.00 C ATOM 0 H TRP A 51 8.933 -4.117 8.856 1.00 0.00 H new ATOM 0 HA TRP A 51 10.225 -1.699 8.081 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.637 -3.849 6.976 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.952 -3.973 6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.225 -2.329 5.469 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.932 -1.119 3.201 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.141 -2.682 5.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.794 -0.434 1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.037 -1.721 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.349 -0.613 1.337 1.00 0.00 H new ATOM 752 N LEU A 52 6.994 -1.895 7.729 1.00 0.00 N ATOM 753 CA LEU A 52 5.794 -1.140 7.387 1.00 0.00 C ATOM 754 C LEU A 52 5.504 -0.072 8.437 1.00 0.00 C ATOM 755 O LEU A 52 5.461 1.120 8.128 1.00 0.00 O ATOM 756 CB LEU A 52 4.595 -2.082 7.257 1.00 0.00 C ATOM 757 CG LEU A 52 3.352 -1.497 6.587 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.840 -0.295 7.367 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.654 -1.111 5.146 1.00 0.00 C ATOM 0 H LEU A 52 6.815 -2.774 8.214 1.00 0.00 H new ATOM 0 HA LEU A 52 5.966 -0.646 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.908 -2.960 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.318 -2.425 8.254 1.00 0.00 H new ATOM 0 HG LEU A 52 2.573 -2.259 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.955 0.108 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.583 -0.602 8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.615 0.471 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.758 -0.696 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.449 -0.366 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.972 -1.994 4.592 1.00 0.00 H new ATOM 771 N CYS A 53 5.309 -0.506 9.677 1.00 0.00 N ATOM 772 CA CYS A 53 5.026 0.413 10.773 1.00 0.00 C ATOM 773 C CYS A 53 5.919 1.647 10.694 1.00 0.00 C ATOM 774 O CYS A 53 5.442 2.777 10.786 1.00 0.00 O ATOM 775 CB CYS A 53 5.222 -0.288 12.118 1.00 0.00 C ATOM 776 SG CYS A 53 4.228 0.402 13.462 1.00 0.00 S ATOM 0 H CYS A 53 5.342 -1.489 9.948 1.00 0.00 H new ATOM 0 HA CYS A 53 3.988 0.733 10.686 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.977 -1.344 12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.275 -0.233 12.394 1.00 0.00 H new ATOM 0 HG CYS A 53 2.985 0.476 13.089 1.00 0.00 H new ATOM 782 N GLU A 54 7.218 1.420 10.523 1.00 0.00 N ATOM 783 CA GLU A 54 8.178 2.514 10.434 1.00 0.00 C ATOM 784 C GLU A 54 7.768 3.511 9.355 1.00 0.00 C ATOM 785 O GLU A 54 7.664 4.712 9.610 1.00 0.00 O ATOM 786 CB GLU A 54 9.578 1.970 10.136 1.00 0.00 C ATOM 787 CG GLU A 54 10.116 1.050 11.219 1.00 0.00 C ATOM 788 CD GLU A 54 11.182 0.103 10.702 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.878 0.467 9.731 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.320 -1.001 11.268 1.00 0.00 O ATOM 0 H GLU A 54 7.629 0.490 10.443 1.00 0.00 H new ATOM 0 HA GLU A 54 8.193 3.030 11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.555 1.429 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.264 2.807 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.530 1.651 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.294 0.471 11.640 1.00 0.00 H new ATOM 797 N LEU A 55 7.537 3.007 8.148 1.00 0.00 N ATOM 798 CA LEU A 55 7.138 3.853 7.029 1.00 0.00 C ATOM 799 C LEU A 55 6.074 4.858 7.457 1.00 0.00 C ATOM 800 O LEU A 55 6.088 6.013 7.031 1.00 0.00 O ATOM 801 CB LEU A 55 6.610 2.994 5.878 1.00 0.00 C ATOM 802 CG LEU A 55 7.647 2.539 4.850 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.981 2.260 5.524 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.155 1.306 4.105 1.00 0.00 C ATOM 0 H LEU A 55 7.619 2.016 7.919 1.00 0.00 H new ATOM 0 HA LEU A 55 8.016 4.404 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.134 2.109 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.834 3.556 5.358 1.00 0.00 H new ATOM 0 HG LEU A 55 7.790 3.342 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.706 1.937 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.340 3.167 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.855 1.475 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.906 0.997 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.982 0.497 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.224 1.540 3.588 1.00 0.00 H new ATOM 816 N LEU A 56 5.153 4.411 8.304 1.00 0.00 N ATOM 817 CA LEU A 56 4.082 5.272 8.793 1.00 0.00 C ATOM 818 C LEU A 56 4.573 6.159 9.933 1.00 0.00 C ATOM 819 O LEU A 56 4.008 7.221 10.194 1.00 0.00 O ATOM 820 CB LEU A 56 2.896 4.427 9.264 1.00 0.00 C ATOM 821 CG LEU A 56 2.525 3.238 8.377 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.395 2.437 9.004 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.137 3.713 6.984 1.00 0.00 C ATOM 0 H LEU A 56 5.126 3.458 8.666 1.00 0.00 H new ATOM 0 HA LEU A 56 3.761 5.912 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.116 4.054 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.025 5.076 9.350 1.00 0.00 H new ATOM 0 HG LEU A 56 3.396 2.589 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.144 1.595 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.710 2.066 9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.520 3.075 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.876 2.854 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.280 4.383 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.976 4.242 6.533 1.00 0.00 H new ATOM 835 N ARG A 57 5.630 5.716 10.607 1.00 0.00 N ATOM 836 CA ARG A 57 6.198 6.470 11.718 1.00 0.00 C ATOM 837 C ARG A 57 7.063 7.619 11.209 1.00 0.00 C ATOM 838 O ARG A 57 6.844 8.777 11.563 1.00 0.00 O ATOM 839 CB ARG A 57 7.029 5.550 12.614 1.00 0.00 C ATOM 840 CG ARG A 57 7.920 6.296 13.594 1.00 0.00 C ATOM 841 CD ARG A 57 8.697 5.337 14.482 1.00 0.00 C ATOM 842 NE ARG A 57 8.980 5.914 15.794 1.00 0.00 N ATOM 843 CZ ARG A 57 9.252 5.188 16.872 1.00 0.00 C ATOM 844 NH1 ARG A 57 9.280 3.864 16.796 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.499 5.786 18.031 1.00 0.00 N ATOM 0 H ARG A 57 6.110 4.839 10.403 1.00 0.00 H new ATOM 0 HA ARG A 57 5.376 6.887 12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.358 4.897 13.171 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.649 4.910 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.616 6.930 13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.310 6.954 14.213 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.128 4.416 14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.634 5.069 13.994 1.00 0.00 H new ATOM 0 HE ARG A 57 8.968 6.930 15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.092 3.400 15.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.489 3.310 17.626 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.480 6.804 18.094 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.708 5.228 18.859 1.00 0.00 H new ATOM 859 N TRP A 58 8.046 7.290 10.379 1.00 0.00 N ATOM 860 CA TRP A 58 8.944 8.295 9.822 1.00 0.00 C ATOM 861 C TRP A 58 8.293 9.015 8.646 1.00 0.00 C ATOM 862 O TRP A 58 8.430 10.230 8.497 1.00 0.00 O ATOM 863 CB TRP A 58 10.255 7.645 9.375 1.00 0.00 C ATOM 864 CG TRP A 58 10.932 6.866 10.461 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.771 5.539 10.740 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.876 7.366 11.414 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.558 5.184 11.810 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.246 6.287 12.241 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.446 8.620 11.649 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.159 6.427 13.283 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.351 8.758 12.684 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.701 7.666 13.490 1.00 0.00 C ATOM 0 H TRP A 58 8.242 6.336 10.077 1.00 0.00 H new ATOM 0 HA TRP A 58 9.156 9.028 10.600 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.055 6.982 8.533 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.933 8.420 9.017 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.121 4.867 10.199 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.619 4.251 12.217 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.184 9.467 11.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.430 5.587 13.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.796 9.723 12.875 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.413 7.805 14.290 1.00 0.00 H new ATOM 883 N LYS A 59 7.584 8.260 7.814 1.00 0.00 N ATOM 884 CA LYS A 59 6.910 8.827 6.652 1.00 0.00 C ATOM 885 C LYS A 59 7.885 9.628 5.795 1.00 0.00 C ATOM 886 O LYS A 59 7.550 10.704 5.300 1.00 0.00 O ATOM 887 CB LYS A 59 5.750 9.722 7.096 1.00 0.00 C ATOM 888 CG LYS A 59 4.588 8.955 7.702 1.00 0.00 C ATOM 889 CD LYS A 59 3.352 9.829 7.837 1.00 0.00 C ATOM 890 CE LYS A 59 2.076 9.010 7.730 1.00 0.00 C ATOM 891 NZ LYS A 59 0.869 9.818 8.060 1.00 0.00 N ATOM 0 H LYS A 59 7.461 7.253 7.923 1.00 0.00 H new ATOM 0 HA LYS A 59 6.518 8.005 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.118 10.444 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.391 10.290 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.357 8.091 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.874 8.574 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.374 10.346 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.360 10.595 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.982 8.614 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.136 8.155 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.013 9.280 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.863 10.033 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.887 10.706 7.519 1.00 0.00 H new ATOM 905 N GLU A 60 9.090 9.095 5.622 1.00 0.00 N ATOM 906 CA GLU A 60 10.112 9.761 4.823 1.00 0.00 C ATOM 907 C GLU A 60 9.559 10.165 3.460 1.00 0.00 C ATOM 908 O GLU A 60 8.715 9.474 2.890 1.00 0.00 O ATOM 909 CB GLU A 60 11.326 8.847 4.643 1.00 0.00 C ATOM 910 CG GLU A 60 12.641 9.599 4.523 1.00 0.00 C ATOM 911 CD GLU A 60 12.936 10.037 3.102 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.444 9.377 2.163 1.00 0.00 O ATOM 913 OE2 GLU A 60 13.658 11.041 2.929 1.00 0.00 O ATOM 0 H GLU A 60 9.383 8.204 6.024 1.00 0.00 H new ATOM 0 HA GLU A 60 10.420 10.663 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.384 8.163 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.183 8.238 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.614 10.475 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.452 8.964 4.879 1.00 0.00 H new ATOM 920 N ASN A 61 10.040 11.291 2.942 1.00 0.00 N ATOM 921 CA ASN A 61 9.594 11.789 1.646 1.00 0.00 C ATOM 922 C ASN A 61 10.046 10.862 0.522 1.00 0.00 C ATOM 923 O ASN A 61 11.239 10.691 0.267 1.00 0.00 O ATOM 924 CB ASN A 61 10.132 13.201 1.406 1.00 0.00 C ATOM 925 CG ASN A 61 9.996 13.633 -0.041 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.252 13.029 -0.814 1.00 0.00 O ATOM 927 ND2 ASN A 61 10.717 14.684 -0.415 1.00 0.00 N ATOM 0 H ASN A 61 10.739 11.876 3.400 1.00 0.00 H new ATOM 0 HA ASN A 61 8.504 11.819 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.597 13.904 2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.182 13.241 1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.667 15.021 -1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.321 15.154 0.259 1.00 0.00 H new ATOM 934 N PRO A 62 9.073 10.250 -0.168 1.00 0.00 N ATOM 935 CA PRO A 62 9.346 9.331 -1.277 1.00 0.00 C ATOM 936 C PRO A 62 9.897 10.050 -2.503 1.00 0.00 C ATOM 937 O PRO A 62 9.477 11.162 -2.823 1.00 0.00 O ATOM 938 CB PRO A 62 7.973 8.726 -1.583 1.00 0.00 C ATOM 939 CG PRO A 62 6.996 9.747 -1.112 1.00 0.00 C ATOM 940 CD PRO A 62 7.630 10.407 0.081 1.00 0.00 C ATOM 0 HA PRO A 62 10.104 8.592 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.856 8.528 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.834 7.777 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.785 10.476 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.047 9.284 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.347 11.457 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.329 9.928 1.013 1.00 0.00 H new ATOM 948 N SER A 63 10.839 9.408 -3.187 1.00 0.00 N ATOM 949 CA SER A 63 11.449 9.989 -4.377 1.00 0.00 C ATOM 950 C SER A 63 12.092 8.907 -5.241 1.00 0.00 C ATOM 951 O SER A 63 12.435 7.823 -4.769 1.00 0.00 O ATOM 952 CB SER A 63 12.497 11.031 -3.982 1.00 0.00 C ATOM 953 OG SER A 63 11.916 12.317 -3.858 1.00 0.00 O ATOM 0 H SER A 63 11.196 8.486 -2.937 1.00 0.00 H new ATOM 0 HA SER A 63 10.664 10.475 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.960 10.745 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.289 11.057 -4.731 1.00 0.00 H new ATOM 0 HG SER A 63 11.013 12.234 -3.486 1.00 0.00 H new ATOM 959 N PRO A 64 12.259 9.209 -6.537 1.00 0.00 N ATOM 960 CA PRO A 64 12.861 8.276 -7.495 1.00 0.00 C ATOM 961 C PRO A 64 14.352 8.075 -7.248 1.00 0.00 C ATOM 962 O PRO A 64 15.011 7.319 -7.962 1.00 0.00 O ATOM 963 CB PRO A 64 12.630 8.958 -8.846 1.00 0.00 C ATOM 964 CG PRO A 64 12.516 10.408 -8.525 1.00 0.00 C ATOM 965 CD PRO A 64 11.873 10.482 -7.167 1.00 0.00 C ATOM 0 HA PRO A 64 12.424 7.280 -7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.456 8.768 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.725 8.587 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.496 10.885 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.914 10.927 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.235 11.338 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.790 10.582 -7.240 1.00 0.00 H new ATOM 973 N GLU A 65 14.877 8.755 -6.234 1.00 0.00 N ATOM 974 CA GLU A 65 16.291 8.650 -5.895 1.00 0.00 C ATOM 975 C GLU A 65 16.536 7.490 -4.934 1.00 0.00 C ATOM 976 O GLU A 65 17.514 6.756 -5.067 1.00 0.00 O ATOM 977 CB GLU A 65 16.788 9.956 -5.271 1.00 0.00 C ATOM 978 CG GLU A 65 17.140 11.024 -6.293 1.00 0.00 C ATOM 979 CD GLU A 65 18.540 10.859 -6.850 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.478 10.663 -6.050 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.698 10.927 -8.087 1.00 0.00 O ATOM 0 H GLU A 65 14.345 9.384 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 65 16.845 8.461 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.020 10.344 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.666 9.746 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.421 10.989 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.050 12.007 -5.831 1.00 0.00 H new ATOM 988 N ASN A 66 15.639 7.332 -3.966 1.00 0.00 N ATOM 989 CA ASN A 66 15.757 6.262 -2.982 1.00 0.00 C ATOM 990 C ASN A 66 15.276 4.935 -3.561 1.00 0.00 C ATOM 991 O ASN A 66 14.084 4.748 -3.805 1.00 0.00 O ATOM 992 CB ASN A 66 14.952 6.605 -1.727 1.00 0.00 C ATOM 993 CG ASN A 66 15.386 5.792 -0.522 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.000 4.734 -0.662 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.067 6.284 0.669 1.00 0.00 N ATOM 0 H ASN A 66 14.823 7.931 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 66 16.809 6.162 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.064 7.666 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.893 6.429 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.332 5.781 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.557 7.165 0.737 1.00 0.00 H new ATOM 1002 N ARG A 67 16.212 4.017 -3.778 1.00 0.00 N ATOM 1003 CA ARG A 67 15.884 2.707 -4.328 1.00 0.00 C ATOM 1004 C ARG A 67 15.138 1.858 -3.304 1.00 0.00 C ATOM 1005 O ARG A 67 13.952 1.567 -3.468 1.00 0.00 O ATOM 1006 CB ARG A 67 17.157 1.985 -4.775 1.00 0.00 C ATOM 1007 CG ARG A 67 17.743 2.526 -6.068 1.00 0.00 C ATOM 1008 CD ARG A 67 17.083 1.896 -7.285 1.00 0.00 C ATOM 1009 NE ARG A 67 17.996 1.816 -8.423 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.917 0.870 -8.560 1.00 0.00 C ATOM 1011 NH1 ARG A 67 19.048 -0.072 -7.637 1.00 0.00 N ATOM 1012 NH2 ARG A 67 19.711 0.864 -9.624 1.00 0.00 N ATOM 0 H ARG A 67 17.203 4.156 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 67 15.236 2.856 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.905 2.064 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.938 0.925 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.615 3.608 -6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.815 2.331 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.733 0.896 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.206 2.479 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 67 17.922 2.526 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.440 -0.072 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.757 -0.797 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.614 1.587 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.418 0.137 -9.728 1.00 0.00 H new ATOM 1026 N THR A 68 15.839 1.462 -2.246 1.00 0.00 N ATOM 1027 CA THR A 68 15.244 0.645 -1.196 1.00 0.00 C ATOM 1028 C THR A 68 13.854 1.150 -0.828 1.00 0.00 C ATOM 1029 O THR A 68 12.984 0.373 -0.433 1.00 0.00 O ATOM 1030 CB THR A 68 16.123 0.628 0.068 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.477 0.319 -0.281 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.608 -0.393 1.072 1.00 0.00 C ATOM 0 H THR A 68 16.820 1.694 -2.094 1.00 0.00 H new ATOM 0 HA THR A 68 15.167 -0.369 -1.589 1.00 0.00 H new ATOM 0 HB THR A 68 16.082 1.617 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.030 0.312 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.245 -0.387 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.587 -0.139 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.622 -1.385 0.622 1.00 0.00 H new ATOM 1040 N LEU A 69 13.650 2.456 -0.960 1.00 0.00 N ATOM 1041 CA LEU A 69 12.364 3.066 -0.641 1.00 0.00 C ATOM 1042 C LEU A 69 11.450 3.079 -1.862 1.00 0.00 C ATOM 1043 O LEU A 69 10.430 2.391 -1.893 1.00 0.00 O ATOM 1044 CB LEU A 69 12.567 4.493 -0.127 1.00 0.00 C ATOM 1045 CG LEU A 69 11.535 4.994 0.884 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.425 4.031 2.056 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.901 6.389 1.371 1.00 0.00 C ATOM 0 H LEU A 69 14.359 3.113 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 69 11.890 2.469 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.555 4.556 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.567 5.169 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 69 10.565 5.045 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.686 4.404 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.117 3.050 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.393 3.948 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.156 6.730 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.881 6.362 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.929 7.074 0.524 1.00 0.00 H new ATOM 1059 N TRP A 70 11.824 3.863 -2.867 1.00 0.00 N ATOM 1060 CA TRP A 70 11.039 3.963 -4.092 1.00 0.00 C ATOM 1061 C TRP A 70 10.609 2.583 -4.577 1.00 0.00 C ATOM 1062 O TRP A 70 9.436 2.357 -4.873 1.00 0.00 O ATOM 1063 CB TRP A 70 11.844 4.672 -5.182 1.00 0.00 C ATOM 1064 CG TRP A 70 11.026 5.036 -6.383 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.931 4.338 -7.553 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.189 6.189 -6.533 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.085 4.986 -8.420 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.617 6.123 -7.818 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.866 7.268 -5.706 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.742 7.097 -8.293 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 8.998 8.233 -6.179 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.443 8.142 -7.462 1.00 0.00 C ATOM 0 H TRP A 70 12.666 4.439 -2.858 1.00 0.00 H new ATOM 0 HA TRP A 70 10.144 4.546 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.287 5.577 -4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.666 4.028 -5.493 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.445 3.412 -7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.845 4.671 -9.360 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.287 7.346 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.315 7.030 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.743 9.072 -5.549 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.766 8.912 -7.802 1.00 0.00 H new ATOM 1083 N GLU A 71 11.566 1.663 -4.656 1.00 0.00 N ATOM 1084 CA GLU A 71 11.284 0.305 -5.106 1.00 0.00 C ATOM 1085 C GLU A 71 10.075 -0.270 -4.375 1.00 0.00 C ATOM 1086 O GLU A 71 9.021 -0.488 -4.972 1.00 0.00 O ATOM 1087 CB GLU A 71 12.503 -0.593 -4.884 1.00 0.00 C ATOM 1088 CG GLU A 71 13.667 -0.279 -5.809 1.00 0.00 C ATOM 1089 CD GLU A 71 14.507 -1.501 -6.125 1.00 0.00 C ATOM 1090 OE1 GLU A 71 15.350 -1.875 -5.283 1.00 0.00 O ATOM 1091 OE2 GLU A 71 14.322 -2.084 -7.214 1.00 0.00 O ATOM 0 H GLU A 71 12.542 1.833 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 71 11.058 0.342 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.834 -0.493 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.208 -1.633 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.284 0.144 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.298 0.481 -5.348 1.00 0.00 H new ATOM 1098 N ASN A 72 10.235 -0.515 -3.079 1.00 0.00 N ATOM 1099 CA ASN A 72 9.158 -1.066 -2.266 1.00 0.00 C ATOM 1100 C ASN A 72 7.885 -0.238 -2.415 1.00 0.00 C ATOM 1101 O ASN A 72 6.819 -0.770 -2.730 1.00 0.00 O ATOM 1102 CB ASN A 72 9.576 -1.118 -0.795 1.00 0.00 C ATOM 1103 CG ASN A 72 10.757 -2.040 -0.561 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.859 -3.103 -1.174 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.655 -1.637 0.329 1.00 0.00 N ATOM 0 H ASN A 72 11.101 -0.340 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 72 8.955 -2.078 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.830 -0.113 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.732 -1.453 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.471 -2.216 0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.530 -0.748 0.813 1.00 0.00 H new ATOM 1112 N LEU A 73 8.004 1.065 -2.189 1.00 0.00 N ATOM 1113 CA LEU A 73 6.863 1.968 -2.299 1.00 0.00 C ATOM 1114 C LEU A 73 6.219 1.866 -3.678 1.00 0.00 C ATOM 1115 O LEU A 73 5.059 2.237 -3.861 1.00 0.00 O ATOM 1116 CB LEU A 73 7.301 3.409 -2.033 1.00 0.00 C ATOM 1117 CG LEU A 73 7.498 3.791 -0.566 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.682 5.294 -0.425 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.320 3.316 0.272 1.00 0.00 C ATOM 0 H LEU A 73 8.879 1.521 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 73 6.126 1.675 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.237 3.587 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.558 4.079 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 73 8.400 3.299 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.821 5.547 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.558 5.608 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.799 5.806 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.478 3.597 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.403 3.779 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.234 2.232 0.197 1.00 0.00 H new ATOM 1131 N CYS A 74 6.978 1.360 -4.643 1.00 0.00 N ATOM 1132 CA CYS A 74 6.481 1.207 -6.006 1.00 0.00 C ATOM 1133 C CYS A 74 5.442 0.093 -6.085 1.00 0.00 C ATOM 1134 O CYS A 74 4.334 0.296 -6.581 1.00 0.00 O ATOM 1135 CB CYS A 74 7.637 0.911 -6.963 1.00 0.00 C ATOM 1136 SG CYS A 74 7.286 1.310 -8.691 1.00 0.00 S ATOM 0 H CYS A 74 7.940 1.049 -4.507 1.00 0.00 H new ATOM 0 HA CYS A 74 6.006 2.143 -6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.513 1.474 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.893 -0.146 -6.890 1.00 0.00 H new ATOM 0 HG CYS A 74 8.324 1.027 -9.421 1.00 0.00 H new ATOM 1142 N THR A 75 5.808 -1.086 -5.592 1.00 0.00 N ATOM 1143 CA THR A 75 4.910 -2.233 -5.609 1.00 0.00 C ATOM 1144 C THR A 75 3.635 -1.945 -4.825 1.00 0.00 C ATOM 1145 O THR A 75 2.533 -2.264 -5.273 1.00 0.00 O ATOM 1146 CB THR A 75 5.587 -3.486 -5.022 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.056 -4.664 -5.639 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.380 -3.558 -3.517 1.00 0.00 C ATOM 0 H THR A 75 6.721 -1.271 -5.176 1.00 0.00 H new ATOM 0 HA THR A 75 4.658 -2.420 -6.653 1.00 0.00 H new ATOM 0 HB THR A 75 6.656 -3.422 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.493 -5.456 -5.262 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.867 -4.451 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.811 -2.674 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.313 -3.601 -3.298 1.00 0.00 H new ATOM 1156 N ILE A 76 3.791 -1.338 -3.653 1.00 0.00 N ATOM 1157 CA ILE A 76 2.651 -1.005 -2.808 1.00 0.00 C ATOM 1158 C ILE A 76 1.712 -0.031 -3.511 1.00 0.00 C ATOM 1159 O ILE A 76 0.496 -0.079 -3.321 1.00 0.00 O ATOM 1160 CB ILE A 76 3.103 -0.390 -1.470 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.176 -1.265 -0.818 1.00 0.00 C ATOM 1162 CG2 ILE A 76 1.913 -0.219 -0.537 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.576 -0.800 0.565 1.00 0.00 C ATOM 0 H ILE A 76 4.696 -1.067 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 76 2.122 -1.937 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 76 3.532 0.593 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.810 -2.290 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.059 -1.280 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.248 0.217 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.179 0.440 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.458 -1.191 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.340 -1.466 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.973 0.214 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.704 -0.812 1.219 1.00 0.00 H new ATOM 1175 N ARG A 77 2.283 0.851 -4.324 1.00 0.00 N ATOM 1176 CA ARG A 77 1.497 1.837 -5.056 1.00 0.00 C ATOM 1177 C ARG A 77 0.557 1.155 -6.046 1.00 0.00 C ATOM 1178 O ARG A 77 -0.554 1.628 -6.289 1.00 0.00 O ATOM 1179 CB ARG A 77 2.419 2.807 -5.797 1.00 0.00 C ATOM 1180 CG ARG A 77 1.687 3.724 -6.763 1.00 0.00 C ATOM 1181 CD ARG A 77 0.542 4.455 -6.079 1.00 0.00 C ATOM 1182 NE ARG A 77 0.315 5.778 -6.655 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.097 5.976 -7.902 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -0.327 4.942 -8.700 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -0.281 7.210 -8.353 1.00 0.00 N ATOM 0 H ARG A 77 3.288 0.903 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 77 0.897 2.395 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.955 3.415 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.167 2.236 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.387 4.449 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.300 3.140 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.369 3.862 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.760 4.555 -5.016 1.00 0.00 H new ATOM 0 HE ARG A 77 0.482 6.595 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.188 3.992 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.643 5.097 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.106 8.008 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.597 7.361 -9.311 1.00 0.00 H new ATOM 1199 N ARG A 78 1.010 0.043 -6.614 1.00 0.00 N ATOM 1200 CA ARG A 78 0.210 -0.703 -7.579 1.00 0.00 C ATOM 1201 C ARG A 78 -0.897 -1.485 -6.878 1.00 0.00 C ATOM 1202 O ARG A 78 -1.980 -1.678 -7.431 1.00 0.00 O ATOM 1203 CB ARG A 78 1.097 -1.659 -8.379 1.00 0.00 C ATOM 1204 CG ARG A 78 1.765 -1.009 -9.580 1.00 0.00 C ATOM 1205 CD ARG A 78 3.022 -1.759 -9.992 1.00 0.00 C ATOM 1206 NE ARG A 78 2.731 -2.839 -10.931 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.358 -4.058 -10.557 1.00 0.00 C ATOM 1208 NH1 ARG A 78 2.229 -4.350 -9.271 1.00 0.00 N ATOM 1209 NH2 ARG A 78 2.111 -4.987 -11.472 1.00 0.00 N ATOM 0 H ARG A 78 1.927 -0.362 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.250 0.012 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.866 -2.064 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.494 -2.501 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.066 -0.982 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.018 0.024 -9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.727 -1.063 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.506 -2.169 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 78 2.819 -2.647 -11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.416 -3.638 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.942 -5.287 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.208 -4.765 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.825 -5.923 -11.184 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.617 -1.933 -5.659 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.588 -2.696 -4.883 1.00 0.00 C ATOM 1225 C PHE A 79 -2.839 -1.866 -4.612 1.00 0.00 C ATOM 1226 O PHE A 79 -3.962 -2.328 -4.821 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.969 -3.155 -3.561 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.803 -4.166 -2.828 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -3.018 -3.807 -2.267 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.372 -5.477 -2.701 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.786 -4.736 -1.592 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -2.136 -6.411 -2.027 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.346 -6.040 -1.472 1.00 0.00 C ATOM 0 H PHE A 79 0.274 -1.781 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.874 -3.572 -5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.015 -3.581 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.817 -2.287 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.369 -2.790 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.428 -5.772 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.731 -4.443 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.788 -7.429 -1.934 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.946 -6.768 -0.946 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.638 -0.639 -4.143 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.749 0.256 -3.842 1.00 0.00 C ATOM 1245 C LEU A 80 -4.597 0.511 -5.085 1.00 0.00 C ATOM 1246 O LEU A 80 -5.811 0.684 -4.995 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.225 1.582 -3.288 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.257 1.481 -2.108 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.671 2.846 -1.781 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.958 0.894 -0.892 1.00 0.00 C ATOM 0 H LEU A 80 -1.716 -0.242 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.376 -0.224 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.727 2.119 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.078 2.187 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.441 0.815 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.985 2.755 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.133 3.228 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.475 3.534 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.254 0.830 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.794 1.534 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.329 -0.103 -1.132 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.947 0.529 -6.244 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.641 0.761 -7.505 1.00 0.00 C ATOM 1264 C ASN A 81 -5.700 -0.310 -7.748 1.00 0.00 C ATOM 1265 O ASN A 81 -6.681 -0.079 -8.456 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.643 0.778 -8.665 1.00 0.00 C ATOM 1267 CG ASN A 81 -3.103 2.168 -8.943 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.364 2.748 -9.997 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -2.346 2.709 -7.995 1.00 0.00 N ATOM 0 H ASN A 81 -2.941 0.386 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.136 1.730 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.814 0.108 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.127 0.393 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.955 3.642 -8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.156 2.191 -7.137 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.496 -1.481 -7.154 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.434 -2.588 -7.304 1.00 0.00 C ATOM 1278 C LEU A 82 -7.787 -2.244 -6.689 1.00 0.00 C ATOM 1279 O LEU A 82 -7.881 -1.492 -5.718 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.871 -3.852 -6.651 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.593 -4.416 -7.274 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.056 -5.567 -6.438 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.850 -4.867 -8.704 1.00 0.00 C ATOM 0 H LEU A 82 -4.690 -1.688 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.576 -2.769 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.676 -3.638 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.638 -4.625 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.842 -3.626 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.147 -5.956 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.832 -5.213 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.803 -6.359 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.930 -5.265 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.617 -5.641 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.188 -4.018 -9.298 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.859 -2.807 -7.263 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.226 -2.577 -6.785 1.00 0.00 C ATOM 1297 C PRO A 83 -10.485 -3.230 -5.432 1.00 0.00 C ATOM 1298 O PRO A 83 -9.893 -4.259 -5.107 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.094 -3.224 -7.867 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.220 -4.262 -8.483 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.821 -3.714 -8.423 1.00 0.00 C ATOM 0 HA PRO A 83 -10.431 -1.517 -6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.994 -3.667 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.419 -2.491 -8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.293 -5.205 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.517 -4.462 -9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.084 -4.506 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.557 -3.185 -9.339 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.374 -2.627 -4.650 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.710 -3.152 -3.331 1.00 0.00 C ATOM 1311 C GLN A 84 -11.974 -4.652 -3.394 1.00 0.00 C ATOM 1312 O GLN A 84 -11.523 -5.409 -2.533 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.936 -2.430 -2.770 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.194 -2.721 -1.300 1.00 0.00 C ATOM 1315 CD GLN A 84 -12.027 -2.333 -0.414 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.082 -3.103 -0.240 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -12.086 -1.133 0.150 1.00 0.00 N ATOM 0 H GLN A 84 -11.874 -1.776 -4.906 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.860 -2.978 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.807 -1.356 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.814 -2.719 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.085 -2.182 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.402 -3.784 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.889 -0.528 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.329 -0.816 0.755 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.707 -5.078 -4.418 1.00 0.00 N ATOM 1327 CA HIS A 85 -13.030 -6.489 -4.593 1.00 0.00 C ATOM 1328 C HIS A 85 -11.762 -7.320 -4.764 1.00 0.00 C ATOM 1329 O HIS A 85 -11.733 -8.502 -4.423 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.944 -6.678 -5.804 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.203 -6.916 -7.083 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.958 -5.921 -8.007 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.650 -8.042 -7.590 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.288 -6.426 -9.027 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.088 -7.712 -8.798 1.00 0.00 N ATOM 0 H HIS A 85 -13.088 -4.466 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.549 -6.831 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.610 -7.520 -5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.572 -5.794 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.651 -9.019 -7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.960 -5.881 -9.900 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.596 -8.355 -9.418 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.716 -6.693 -5.293 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.446 -7.376 -5.510 1.00 0.00 C ATOM 1346 C GLU A 86 -8.634 -7.438 -4.220 1.00 0.00 C ATOM 1347 O GLU A 86 -8.420 -8.513 -3.660 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.639 -6.666 -6.600 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.909 -7.195 -7.999 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.977 -8.326 -8.385 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -7.988 -9.366 -7.692 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.236 -8.173 -9.378 1.00 0.00 O ATOM 0 H GLU A 86 -10.723 -5.714 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.661 -8.395 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.867 -5.600 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.577 -6.770 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.940 -7.543 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.804 -6.382 -8.717 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.185 -6.277 -3.754 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.396 -6.199 -2.531 1.00 0.00 C ATOM 1361 C ARG A 87 -7.995 -7.081 -1.439 1.00 0.00 C ATOM 1362 O ARG A 87 -7.278 -7.806 -0.749 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.313 -4.751 -2.044 1.00 0.00 C ATOM 1364 CG ARG A 87 -6.688 -3.803 -3.055 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.344 -2.464 -2.423 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.448 -1.513 -2.521 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.474 -1.488 -1.678 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.535 -2.357 -0.678 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -9.440 -0.592 -1.832 1.00 0.00 N ATOM 0 H ARG A 87 -8.354 -5.378 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.391 -6.559 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.316 -4.400 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.733 -4.719 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.786 -4.254 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.377 -3.649 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.086 -2.614 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.463 -2.048 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.430 -0.830 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.793 -3.046 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.324 -2.336 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.396 0.079 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.227 -0.574 -1.184 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.313 -7.012 -1.288 1.00 0.00 N ATOM 1384 CA ASP A 88 -10.010 -7.804 -0.281 1.00 0.00 C ATOM 1385 C ASP A 88 -9.741 -9.293 -0.479 1.00 0.00 C ATOM 1386 O ASP A 88 -9.607 -10.044 0.487 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.514 -7.533 -0.339 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.921 -6.348 0.515 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.131 -5.386 0.610 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.031 -6.383 1.088 1.00 0.00 O ATOM 0 H ASP A 88 -9.920 -6.416 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.634 -7.512 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.808 -7.351 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.053 -8.420 -0.006 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.664 -9.713 -1.738 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.411 -11.112 -2.063 1.00 0.00 C ATOM 1397 C VAL A 89 -8.018 -11.538 -1.612 1.00 0.00 C ATOM 1398 O VAL A 89 -7.849 -12.591 -0.997 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.551 -11.371 -3.575 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.239 -12.824 -3.899 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.946 -10.997 -4.052 1.00 0.00 C ATOM 0 H VAL A 89 -9.773 -9.105 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.158 -11.701 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.832 -10.744 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.343 -12.988 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.218 -13.054 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.932 -13.473 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.027 -11.186 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.685 -11.596 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.126 -9.940 -3.856 1.00 0.00 H new ATOM 1411 N ILE A 90 -7.024 -10.712 -1.921 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.646 -11.003 -1.546 1.00 0.00 C ATOM 1413 C ILE A 90 -5.520 -11.220 -0.042 1.00 0.00 C ATOM 1414 O ILE A 90 -4.987 -12.236 0.407 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.696 -9.867 -1.970 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.751 -9.667 -3.486 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.274 -10.171 -1.522 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.327 -8.284 -3.928 1.00 0.00 C ATOM 0 H ILE A 90 -7.147 -9.837 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.363 -11.917 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.019 -8.944 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.109 -10.406 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.767 -9.855 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.614 -9.359 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.248 -10.269 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.940 -11.102 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.391 -8.214 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.984 -7.540 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.300 -8.100 -3.612 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.015 -10.262 0.733 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.958 -10.348 2.187 1.00 0.00 C ATOM 1432 C TYR A 91 -6.634 -11.621 2.685 1.00 0.00 C ATOM 1433 O TYR A 91 -6.087 -12.343 3.518 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.623 -9.124 2.818 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.017 -7.810 2.378 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.653 -7.575 2.505 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.807 -6.805 1.834 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.095 -6.376 2.105 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.258 -5.604 1.430 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.901 -5.394 1.568 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.349 -4.199 1.166 1.00 0.00 O ATOM 0 H TYR A 91 -6.461 -9.416 0.378 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.909 -10.376 2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.684 -9.127 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.552 -9.202 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.019 -8.342 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.869 -6.966 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.033 -6.209 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.887 -4.834 1.009 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.826 -4.339 0.349 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.828 -11.891 2.166 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.580 -13.077 2.557 1.00 0.00 C ATOM 1453 C GLU A 92 -7.781 -14.346 2.274 1.00 0.00 C ATOM 1454 O GLU A 92 -7.640 -15.208 3.140 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.918 -13.128 1.816 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.903 -12.060 2.264 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.447 -12.316 3.656 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -11.727 -13.490 3.976 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -11.593 -11.343 4.425 1.00 0.00 O ATOM 0 H GLU A 92 -8.295 -11.305 1.474 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.769 -13.018 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.736 -13.017 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.368 -14.110 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.413 -11.087 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.731 -12.015 1.557 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.262 -14.451 1.055 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.478 -15.615 0.657 1.00 0.00 C ATOM 1468 C GLU A 93 -5.226 -15.748 1.519 1.00 0.00 C ATOM 1469 O GLU A 93 -4.895 -16.838 1.985 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.087 -15.513 -0.819 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.276 -15.501 -1.764 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.896 -16.874 -1.941 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.167 -17.808 -2.334 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -9.110 -17.013 -1.685 1.00 0.00 O ATOM 0 H GLU A 93 -7.370 -13.745 0.326 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.093 -16.503 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.505 -14.604 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.440 -16.352 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.030 -14.812 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.959 -15.122 -2.736 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.535 -14.632 1.724 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.318 -14.624 2.529 1.00 0.00 C ATOM 1483 C GLU A 94 -3.616 -15.029 3.969 1.00 0.00 C ATOM 1484 O GLU A 94 -3.170 -16.077 4.436 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.670 -13.239 2.500 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.464 -13.112 3.415 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.424 -14.186 3.162 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.418 -14.754 2.050 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.383 -14.459 4.075 1.00 0.00 O ATOM 0 H GLU A 94 -4.796 -13.722 1.345 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.626 -15.349 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.366 -13.011 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.412 -12.494 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.009 -12.131 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.793 -13.167 4.453 1.00 0.00 H new