USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=13 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 61 ASN : amide:sc= -0.394 K(o=0.25,f=-0.51!) USER MOD Set 1.2: A 63 SER OG : rot 32:sc= 0.645 USER MOD Set 2.1: A 37 GLN : amide:sc= -1.67 K(o=-1.7,f=-7.9!) USER MOD Set 2.2: A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.152 K(o=-0.15,f=-2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 27 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 148:sc= -2.63! (180deg=-3.82!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.024 USER MOD Single : A 42 LYS NZ :NH3+ 138:sc= 0.09 (180deg=-1.72!) USER MOD Single : A 46 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.17) 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= -0.0887 K(o=-0.089,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.21) USER MOD Single : A 66 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.03 X(o=-1,f=-0.86) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.321 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.66) USER MOD Single : A 84 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-5.7!) USER MOD Single : A 91 TYR OH : rot 64:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.176 5.599 -12.641 1.00 0.00 N ATOM 181 CA ILE A 16 4.417 5.738 -11.404 1.00 0.00 C ATOM 182 C ILE A 16 4.960 6.880 -10.552 1.00 0.00 C ATOM 183 O ILE A 16 6.155 6.942 -10.267 1.00 0.00 O ATOM 184 CB ILE A 16 4.445 4.438 -10.578 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.906 3.270 -11.407 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.635 4.606 -9.301 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.127 1.920 -10.762 1.00 0.00 C ATOM 0 HA ILE A 16 3.388 5.957 -11.688 1.00 0.00 H new ATOM 0 HB ILE A 16 5.477 4.219 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.838 3.414 -11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.384 3.279 -12.386 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.664 3.680 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.058 5.415 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.602 4.844 -9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.720 1.139 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.195 1.754 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.625 1.892 -9.795 1.00 0.00 H new ATOM 199 N ASN A 17 4.072 7.782 -10.145 1.00 0.00 N ATOM 200 CA ASN A 17 4.461 8.922 -9.324 1.00 0.00 C ATOM 201 C ASN A 17 4.149 8.665 -7.853 1.00 0.00 C ATOM 202 O ASN A 17 2.999 8.770 -7.425 1.00 0.00 O ATOM 203 CB ASN A 17 3.742 10.187 -9.796 1.00 0.00 C ATOM 204 CG ASN A 17 4.515 11.449 -9.466 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.683 11.392 -9.083 1.00 0.00 O ATOM 206 ND2 ASN A 17 3.864 12.597 -9.613 1.00 0.00 N ATOM 0 H ASN A 17 3.078 7.745 -10.371 1.00 0.00 H new ATOM 0 HA ASN A 17 5.537 9.063 -9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.585 10.132 -10.873 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.757 10.236 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.332 13.479 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.896 12.597 -9.933 1.00 0.00 H new ATOM 213 N ILE A 18 5.179 8.327 -7.085 1.00 0.00 N ATOM 214 CA ILE A 18 5.014 8.057 -5.662 1.00 0.00 C ATOM 215 C ILE A 18 5.029 9.348 -4.852 1.00 0.00 C ATOM 216 O ILE A 18 5.917 10.186 -5.013 1.00 0.00 O ATOM 217 CB ILE A 18 6.119 7.121 -5.135 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.325 5.949 -6.097 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.766 6.616 -3.744 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.163 4.981 -6.128 1.00 0.00 C ATOM 0 H ILE A 18 6.136 8.234 -7.424 1.00 0.00 H new ATOM 0 HA ILE A 18 4.047 7.568 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 18 7.051 7.682 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.490 6.339 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.229 5.410 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.556 5.956 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.664 7.462 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.825 6.067 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.378 4.176 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.011 4.563 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.261 5.506 -6.442 1.00 0.00 H new ATOM 232 N THR A 19 4.039 9.503 -3.977 1.00 0.00 N ATOM 233 CA THR A 19 3.938 10.692 -3.140 1.00 0.00 C ATOM 234 C THR A 19 3.819 10.319 -1.667 1.00 0.00 C ATOM 235 O THR A 19 3.404 9.211 -1.330 1.00 0.00 O ATOM 236 CB THR A 19 2.728 11.558 -3.538 1.00 0.00 C ATOM 237 OG1 THR A 19 1.530 10.774 -3.499 1.00 0.00 O ATOM 238 CG2 THR A 19 2.913 12.139 -4.932 1.00 0.00 C ATOM 0 H THR A 19 3.296 8.820 -3.830 1.00 0.00 H new ATOM 0 HA THR A 19 4.852 11.265 -3.294 1.00 0.00 H new ATOM 0 HB THR A 19 2.648 12.380 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.765 11.332 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.046 12.747 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.809 12.759 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.016 11.328 -5.653 1.00 0.00 H new ATOM 246 N ALA A 20 4.185 11.252 -0.794 1.00 0.00 N ATOM 247 CA ALA A 20 4.116 11.021 0.644 1.00 0.00 C ATOM 248 C ALA A 20 2.760 10.450 1.044 1.00 0.00 C ATOM 249 O ALA A 20 2.658 9.677 1.996 1.00 0.00 O ATOM 250 CB ALA A 20 4.391 12.313 1.399 1.00 0.00 C ATOM 0 H ALA A 20 4.532 12.174 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 20 4.880 10.289 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.336 12.126 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.386 12.678 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.648 13.061 1.123 1.00 0.00 H new ATOM 256 N ALA A 21 1.721 10.836 0.311 1.00 0.00 N ATOM 257 CA ALA A 21 0.371 10.361 0.589 1.00 0.00 C ATOM 258 C ALA A 21 0.330 8.839 0.667 1.00 0.00 C ATOM 259 O ALA A 21 -0.427 8.269 1.453 1.00 0.00 O ATOM 260 CB ALA A 21 -0.594 10.863 -0.474 1.00 0.00 C ATOM 0 H ALA A 21 1.788 11.476 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 21 0.065 10.757 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.598 10.501 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.594 11.953 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.282 10.495 -1.452 1.00 0.00 H new ATOM 266 N ILE A 22 1.148 8.186 -0.152 1.00 0.00 N ATOM 267 CA ILE A 22 1.205 6.730 -0.174 1.00 0.00 C ATOM 268 C ILE A 22 1.103 6.155 1.235 1.00 0.00 C ATOM 269 O ILE A 22 0.453 5.132 1.453 1.00 0.00 O ATOM 270 CB ILE A 22 2.505 6.227 -0.829 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.500 4.700 -0.916 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.715 6.715 -0.047 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.280 4.159 -2.094 1.00 0.00 C ATOM 0 H ILE A 22 1.780 8.643 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 22 0.355 6.390 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 22 2.564 6.629 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.917 4.290 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.469 4.351 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.626 6.351 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.723 7.805 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.664 6.339 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.233 3.070 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.850 4.539 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.320 4.477 -2.019 1.00 0.00 H new ATOM 285 N TYR A 23 1.748 6.818 2.187 1.00 0.00 N ATOM 286 CA TYR A 23 1.731 6.373 3.575 1.00 0.00 C ATOM 287 C TYR A 23 0.311 6.385 4.134 1.00 0.00 C ATOM 288 O TYR A 23 -0.156 5.393 4.693 1.00 0.00 O ATOM 289 CB TYR A 23 2.635 7.263 4.430 1.00 0.00 C ATOM 290 CG TYR A 23 4.096 7.185 4.050 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.795 5.988 4.142 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.778 8.308 3.598 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.130 5.912 3.797 1.00 0.00 C ATOM 294 CE2 TYR A 23 6.113 8.242 3.250 1.00 0.00 C ATOM 295 CZ TYR A 23 6.785 7.041 3.351 1.00 0.00 C ATOM 296 OH TYR A 23 8.115 6.970 3.005 1.00 0.00 O ATOM 0 H TYR A 23 2.290 7.666 2.023 1.00 0.00 H new ATOM 0 HA TYR A 23 2.106 5.350 3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.300 8.297 4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.525 6.979 5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.285 5.101 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.255 9.249 3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.658 4.973 3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.628 9.125 2.901 1.00 0.00 H new ATOM 0 HH TYR A 23 8.391 7.815 2.592 1.00 0.00 H new ATOM 306 N ASP A 24 -0.370 7.515 3.977 1.00 0.00 N ATOM 307 CA ASP A 24 -1.737 7.657 4.463 1.00 0.00 C ATOM 308 C ASP A 24 -2.647 6.600 3.845 1.00 0.00 C ATOM 309 O ASP A 24 -3.516 6.046 4.517 1.00 0.00 O ATOM 310 CB ASP A 24 -2.270 9.055 4.146 1.00 0.00 C ATOM 311 CG ASP A 24 -1.947 10.059 5.235 1.00 0.00 C ATOM 312 OD1 ASP A 24 -0.751 10.371 5.417 1.00 0.00 O ATOM 313 OD2 ASP A 24 -2.888 10.533 5.905 1.00 0.00 O ATOM 0 H ASP A 24 0.003 8.346 3.517 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.729 7.516 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.845 9.397 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.350 9.006 4.010 1.00 0.00 H new ATOM 318 N GLU A 25 -2.440 6.326 2.560 1.00 0.00 N ATOM 319 CA GLU A 25 -3.243 5.337 1.852 1.00 0.00 C ATOM 320 C GLU A 25 -3.103 3.960 2.496 1.00 0.00 C ATOM 321 O GLU A 25 -4.069 3.201 2.578 1.00 0.00 O ATOM 322 CB GLU A 25 -2.828 5.268 0.381 1.00 0.00 C ATOM 323 CG GLU A 25 -2.857 6.614 -0.323 1.00 0.00 C ATOM 324 CD GLU A 25 -3.130 6.489 -1.809 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.318 6.496 -2.196 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.158 6.384 -2.585 1.00 0.00 O ATOM 0 H GLU A 25 -1.724 6.775 1.989 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.287 5.644 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.822 4.855 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.491 4.579 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.624 7.241 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.902 7.118 -0.174 1.00 0.00 H new ATOM 333 N ILE A 26 -1.895 3.647 2.951 1.00 0.00 N ATOM 334 CA ILE A 26 -1.628 2.363 3.588 1.00 0.00 C ATOM 335 C ILE A 26 -2.384 2.236 4.906 1.00 0.00 C ATOM 336 O ILE A 26 -2.887 1.164 5.243 1.00 0.00 O ATOM 337 CB ILE A 26 -0.123 2.167 3.851 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.648 2.136 2.530 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.114 0.888 4.640 1.00 0.00 C ATOM 340 CD1 ILE A 26 2.088 2.579 2.661 1.00 0.00 C ATOM 0 H ILE A 26 -1.085 4.265 2.891 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.971 1.591 2.899 1.00 0.00 H new ATOM 0 HB ILE A 26 0.241 3.008 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.623 1.123 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.143 2.778 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.182 0.763 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.409 0.947 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.261 0.036 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.573 2.532 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.121 3.603 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.609 1.922 3.358 1.00 0.00 H new ATOM 352 N GLN A 27 -2.462 3.337 5.646 1.00 0.00 N ATOM 353 CA GLN A 27 -3.159 3.348 6.927 1.00 0.00 C ATOM 354 C GLN A 27 -4.646 3.065 6.740 1.00 0.00 C ATOM 355 O GLN A 27 -5.223 2.239 7.447 1.00 0.00 O ATOM 356 CB GLN A 27 -2.967 4.696 7.623 1.00 0.00 C ATOM 357 CG GLN A 27 -1.510 5.056 7.863 1.00 0.00 C ATOM 358 CD GLN A 27 -1.345 6.210 8.832 1.00 0.00 C ATOM 359 OE1 GLN A 27 -0.827 6.040 9.936 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.786 7.394 8.423 1.00 0.00 N ATOM 0 H GLN A 27 -2.052 4.232 5.381 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.735 2.561 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.430 5.476 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.491 4.680 8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.983 4.184 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.043 5.315 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.209 7.490 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.702 8.208 9.032 1.00 0.00 H new ATOM 369 N GLN A 28 -5.259 3.757 5.785 1.00 0.00 N ATOM 370 CA GLN A 28 -6.680 3.580 5.507 1.00 0.00 C ATOM 371 C GLN A 28 -6.940 2.235 4.837 1.00 0.00 C ATOM 372 O GLN A 28 -7.818 1.482 5.257 1.00 0.00 O ATOM 373 CB GLN A 28 -7.192 4.714 4.618 1.00 0.00 C ATOM 374 CG GLN A 28 -7.261 6.058 5.325 1.00 0.00 C ATOM 375 CD GLN A 28 -8.072 7.081 4.555 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.196 7.412 4.934 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.505 7.590 3.468 1.00 0.00 N ATOM 0 H GLN A 28 -4.795 4.445 5.191 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.216 3.602 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.542 4.804 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.185 4.455 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.699 5.922 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.250 6.438 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.571 7.287 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.003 8.284 2.910 1.00 0.00 H new ATOM 386 N GLU A 29 -6.171 1.941 3.794 1.00 0.00 N ATOM 387 CA GLU A 29 -6.321 0.686 3.065 1.00 0.00 C ATOM 388 C GLU A 29 -6.481 -0.487 4.028 1.00 0.00 C ATOM 389 O GLU A 29 -7.206 -1.440 3.746 1.00 0.00 O ATOM 390 CB GLU A 29 -5.113 0.452 2.155 1.00 0.00 C ATOM 391 CG GLU A 29 -5.332 -0.640 1.122 1.00 0.00 C ATOM 392 CD GLU A 29 -6.420 -0.291 0.126 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.607 -0.309 0.514 1.00 0.00 O ATOM 394 OE2 GLU A 29 -6.086 -0.001 -1.042 1.00 0.00 O ATOM 0 H GLU A 29 -5.439 2.553 3.435 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.220 0.756 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.870 1.382 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.251 0.192 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.400 -0.821 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.594 -1.568 1.630 1.00 0.00 H new ATOM 401 N MET A 30 -5.798 -0.408 5.165 1.00 0.00 N ATOM 402 CA MET A 30 -5.864 -1.463 6.171 1.00 0.00 C ATOM 403 C MET A 30 -7.266 -1.560 6.765 1.00 0.00 C ATOM 404 O MET A 30 -7.933 -2.587 6.643 1.00 0.00 O ATOM 405 CB MET A 30 -4.844 -1.203 7.281 1.00 0.00 C ATOM 406 CG MET A 30 -3.465 -1.770 6.984 1.00 0.00 C ATOM 407 SD MET A 30 -2.305 -1.520 8.341 1.00 0.00 S ATOM 408 CE MET A 30 -1.426 -0.067 7.771 1.00 0.00 C ATOM 0 H MET A 30 -5.193 0.375 5.413 1.00 0.00 H new ATOM 0 HA MET A 30 -5.628 -2.410 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.759 -0.128 7.441 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.213 -1.635 8.211 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.552 -2.837 6.777 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.070 -1.302 6.083 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.122 0.534 8.628 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.543 -0.373 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.078 0.523 7.127 1.00 0.00 H new ATOM 418 N LYS A 31 -7.707 -0.484 7.408 1.00 0.00 N ATOM 419 CA LYS A 31 -9.030 -0.447 8.020 1.00 0.00 C ATOM 420 C LYS A 31 -10.107 -0.834 7.012 1.00 0.00 C ATOM 421 O LYS A 31 -11.189 -1.285 7.388 1.00 0.00 O ATOM 422 CB LYS A 31 -9.317 0.949 8.578 1.00 0.00 C ATOM 423 CG LYS A 31 -9.931 1.896 7.563 1.00 0.00 C ATOM 424 CD LYS A 31 -11.449 1.812 7.568 1.00 0.00 C ATOM 425 CE LYS A 31 -12.069 2.862 6.659 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.551 2.906 6.793 1.00 0.00 N ATOM 0 H LYS A 31 -7.167 0.374 7.519 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.045 -1.169 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.989 0.859 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.387 1.381 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.622 2.918 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.556 1.657 6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.760 0.819 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.818 1.946 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.653 3.841 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.804 2.648 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.936 3.634 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.950 1.980 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.804 3.135 7.775 1.00 0.00 H new ATOM 440 N ARG A 32 -9.803 -0.655 5.730 1.00 0.00 N ATOM 441 CA ARG A 32 -10.746 -0.986 4.668 1.00 0.00 C ATOM 442 C ARG A 32 -10.853 -2.498 4.489 1.00 0.00 C ATOM 443 O ARG A 32 -11.924 -3.022 4.182 1.00 0.00 O ATOM 444 CB ARG A 32 -10.315 -0.335 3.353 1.00 0.00 C ATOM 445 CG ARG A 32 -11.474 -0.016 2.423 1.00 0.00 C ATOM 446 CD ARG A 32 -11.974 1.406 2.622 1.00 0.00 C ATOM 447 NE ARG A 32 -13.239 1.643 1.933 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.712 2.854 1.660 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.027 3.932 2.016 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.872 2.989 1.030 1.00 0.00 N ATOM 0 H ARG A 32 -8.912 -0.283 5.402 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.725 -0.600 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.773 0.585 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.620 -0.999 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.159 -0.150 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.289 -0.718 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.100 1.600 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.225 2.108 2.256 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.790 0.834 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.135 3.832 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.392 4.861 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.402 2.162 0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.234 3.920 0.821 1.00 0.00 H new ATOM 464 N ALA A 33 -9.737 -3.192 4.681 1.00 0.00 N ATOM 465 CA ALA A 33 -9.706 -4.643 4.541 1.00 0.00 C ATOM 466 C ALA A 33 -9.523 -5.321 5.895 1.00 0.00 C ATOM 467 O ALA A 33 -9.390 -6.542 5.977 1.00 0.00 O ATOM 468 CB ALA A 33 -8.596 -5.058 3.587 1.00 0.00 C ATOM 0 H ALA A 33 -8.842 -2.773 4.934 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.663 -4.964 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.585 -6.144 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.771 -4.610 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.636 -4.718 3.976 1.00 0.00 H new ATOM 474 N LYS A 34 -9.515 -4.521 6.956 1.00 0.00 N ATOM 475 CA LYS A 34 -9.349 -5.043 8.307 1.00 0.00 C ATOM 476 C LYS A 34 -8.089 -5.897 8.409 1.00 0.00 C ATOM 477 O LYS A 34 -8.120 -7.004 8.946 1.00 0.00 O ATOM 478 CB LYS A 34 -10.572 -5.869 8.711 1.00 0.00 C ATOM 479 CG LYS A 34 -11.894 -5.228 8.324 1.00 0.00 C ATOM 480 CD LYS A 34 -12.467 -5.851 7.062 1.00 0.00 C ATOM 481 CE LYS A 34 -13.409 -4.895 6.347 1.00 0.00 C ATOM 482 NZ LYS A 34 -14.328 -5.611 5.419 1.00 0.00 N ATOM 0 H LYS A 34 -9.622 -3.508 6.906 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.249 -4.197 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.505 -6.853 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.555 -6.024 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.606 -5.339 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.750 -4.159 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.654 -6.132 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.001 -6.767 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.994 -4.343 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.827 -4.162 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.954 -4.924 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.771 -6.117 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.902 -6.292 5.956 1.00 0.00 H new ATOM 496 N VAL A 35 -6.982 -5.375 7.891 1.00 0.00 N ATOM 497 CA VAL A 35 -5.711 -6.088 7.927 1.00 0.00 C ATOM 498 C VAL A 35 -4.721 -5.402 8.861 1.00 0.00 C ATOM 499 O VAL A 35 -4.971 -4.298 9.344 1.00 0.00 O ATOM 500 CB VAL A 35 -5.087 -6.193 6.523 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.034 -6.904 5.568 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.724 -4.812 5.997 1.00 0.00 C ATOM 0 H VAL A 35 -6.940 -4.460 7.441 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.921 -7.091 8.299 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.173 -6.782 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.575 -6.968 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.239 -7.908 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.967 -6.346 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.284 -4.905 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.622 -4.197 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.005 -4.344 6.670 1.00 0.00 H new ATOM 512 N SER A 36 -3.596 -6.064 9.112 1.00 0.00 N ATOM 513 CA SER A 36 -2.568 -5.519 9.991 1.00 0.00 C ATOM 514 C SER A 36 -1.358 -5.051 9.188 1.00 0.00 C ATOM 515 O SER A 36 -1.087 -5.561 8.102 1.00 0.00 O ATOM 516 CB SER A 36 -2.139 -6.567 11.019 1.00 0.00 C ATOM 517 OG SER A 36 -0.932 -6.190 11.659 1.00 0.00 O ATOM 0 H SER A 36 -3.373 -6.979 8.719 1.00 0.00 H new ATOM 0 HA SER A 36 -2.989 -4.660 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.925 -6.693 11.764 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.008 -7.531 10.527 1.00 0.00 H new ATOM 0 HG SER A 36 -0.680 -6.876 12.313 1.00 0.00 H new ATOM 523 N GLN A 37 -0.636 -4.077 9.733 1.00 0.00 N ATOM 524 CA GLN A 37 0.545 -3.539 9.067 1.00 0.00 C ATOM 525 C GLN A 37 1.427 -4.663 8.533 1.00 0.00 C ATOM 526 O GLN A 37 2.056 -4.525 7.484 1.00 0.00 O ATOM 527 CB GLN A 37 1.345 -2.662 10.032 1.00 0.00 C ATOM 528 CG GLN A 37 0.489 -1.988 11.093 1.00 0.00 C ATOM 529 CD GLN A 37 1.045 -0.645 11.524 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.976 -0.120 10.912 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.475 -0.080 12.582 1.00 0.00 N ATOM 0 H GLN A 37 -0.847 -3.645 10.632 1.00 0.00 H new ATOM 0 HA GLN A 37 0.212 -2.931 8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.103 -3.273 10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.872 -1.897 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.521 -1.852 10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.413 -2.641 11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.294 -0.551 13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.806 0.825 12.918 1.00 0.00 H new ATOM 540 N ALA A 38 1.469 -5.773 9.261 1.00 0.00 N ATOM 541 CA ALA A 38 2.273 -6.921 8.859 1.00 0.00 C ATOM 542 C ALA A 38 1.719 -7.562 7.592 1.00 0.00 C ATOM 543 O ALA A 38 2.471 -7.903 6.677 1.00 0.00 O ATOM 544 CB ALA A 38 2.336 -7.942 9.986 1.00 0.00 C ATOM 0 H ALA A 38 0.956 -5.902 10.133 1.00 0.00 H new ATOM 0 HA ALA A 38 3.282 -6.570 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.939 -8.794 9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.785 -7.484 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.328 -8.280 10.227 1.00 0.00 H new ATOM 550 N LEU A 39 0.402 -7.725 7.544 1.00 0.00 N ATOM 551 CA LEU A 39 -0.253 -8.326 6.387 1.00 0.00 C ATOM 552 C LEU A 39 -0.113 -7.435 5.157 1.00 0.00 C ATOM 553 O LEU A 39 0.524 -7.812 4.174 1.00 0.00 O ATOM 554 CB LEU A 39 -1.733 -8.575 6.686 1.00 0.00 C ATOM 555 CG LEU A 39 -2.543 -9.227 5.566 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.849 -10.485 5.068 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.952 -9.547 6.044 1.00 0.00 C ATOM 0 H LEU A 39 -0.234 -7.450 8.293 1.00 0.00 H new ATOM 0 HA LEU A 39 0.234 -9.279 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.803 -9.206 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.198 -7.621 6.936 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.613 -8.523 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.440 -10.935 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.861 -10.228 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.748 -11.194 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.515 -10.011 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.902 -10.233 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.450 -8.627 6.351 1.00 0.00 H new ATOM 569 N PHE A 40 -0.712 -6.250 5.221 1.00 0.00 N ATOM 570 CA PHE A 40 -0.653 -5.304 4.113 1.00 0.00 C ATOM 571 C PHE A 40 0.759 -5.222 3.542 1.00 0.00 C ATOM 572 O PHE A 40 0.945 -5.126 2.329 1.00 0.00 O ATOM 573 CB PHE A 40 -1.111 -3.918 4.573 1.00 0.00 C ATOM 574 CG PHE A 40 -0.901 -2.845 3.544 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.378 -2.451 3.186 1.00 0.00 C ATOM 576 CD2 PHE A 40 -1.982 -2.231 2.933 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.574 -1.463 2.239 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.793 -1.242 1.986 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.512 -0.859 1.638 1.00 0.00 C ATOM 0 H PHE A 40 -1.243 -5.923 6.028 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.322 -5.659 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.169 -3.961 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.572 -3.649 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.232 -2.921 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.985 -2.529 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.576 -1.164 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.645 -0.770 1.519 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.361 -0.088 0.897 1.00 0.00 H new ATOM 589 N ALA A 41 1.751 -5.260 4.425 1.00 0.00 N ATOM 590 CA ALA A 41 3.147 -5.191 4.010 1.00 0.00 C ATOM 591 C ALA A 41 3.636 -6.544 3.504 1.00 0.00 C ATOM 592 O ALA A 41 4.573 -6.619 2.708 1.00 0.00 O ATOM 593 CB ALA A 41 4.017 -4.710 5.162 1.00 0.00 C ATOM 0 H ALA A 41 1.614 -5.338 5.433 1.00 0.00 H new ATOM 0 HA ALA A 41 3.222 -4.477 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.057 -4.663 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.690 -3.719 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.929 -5.403 5.999 1.00 0.00 H new ATOM 599 N LYS A 42 2.997 -7.611 3.970 1.00 0.00 N ATOM 600 CA LYS A 42 3.366 -8.962 3.565 1.00 0.00 C ATOM 601 C LYS A 42 2.697 -9.337 2.247 1.00 0.00 C ATOM 602 O LYS A 42 3.171 -10.215 1.526 1.00 0.00 O ATOM 603 CB LYS A 42 2.975 -9.967 4.651 1.00 0.00 C ATOM 604 CG LYS A 42 3.338 -11.403 4.311 1.00 0.00 C ATOM 605 CD LYS A 42 2.229 -12.088 3.530 1.00 0.00 C ATOM 606 CE LYS A 42 2.782 -13.155 2.597 1.00 0.00 C ATOM 607 NZ LYS A 42 1.886 -13.389 1.431 1.00 0.00 N ATOM 0 H LYS A 42 2.220 -7.566 4.629 1.00 0.00 H new ATOM 0 HA LYS A 42 4.447 -8.990 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.464 -9.689 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.900 -9.904 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.258 -11.418 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.534 -11.957 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.520 -12.541 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.679 -11.346 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.768 -12.853 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.913 -14.087 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.458 -13.486 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.338 -14.260 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.235 -12.585 1.326 1.00 0.00 H new ATOM 621 N VAL A 43 1.593 -8.664 1.936 1.00 0.00 N ATOM 622 CA VAL A 43 0.860 -8.925 0.703 1.00 0.00 C ATOM 623 C VAL A 43 1.094 -7.818 -0.319 1.00 0.00 C ATOM 624 O VAL A 43 0.826 -7.991 -1.508 1.00 0.00 O ATOM 625 CB VAL A 43 -0.652 -9.055 0.966 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.954 -10.342 1.717 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.165 -7.846 1.733 1.00 0.00 C ATOM 0 H VAL A 43 1.187 -7.934 2.521 1.00 0.00 H new ATOM 0 HA VAL A 43 1.234 -9.868 0.305 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.169 -9.093 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.027 -10.417 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.624 -11.195 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.428 -10.338 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.235 -7.955 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.645 -7.773 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.983 -6.942 1.151 1.00 0.00 H new ATOM 637 N ALA A 44 1.597 -6.682 0.152 1.00 0.00 N ATOM 638 CA ALA A 44 1.870 -5.547 -0.722 1.00 0.00 C ATOM 639 C ALA A 44 3.348 -5.481 -1.090 1.00 0.00 C ATOM 640 O ALA A 44 3.703 -5.453 -2.268 1.00 0.00 O ATOM 641 CB ALA A 44 1.432 -4.251 -0.056 1.00 0.00 C ATOM 0 H ALA A 44 1.824 -6.523 1.134 1.00 0.00 H new ATOM 0 HA ALA A 44 1.299 -5.682 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.642 -3.412 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.363 -4.292 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.978 -4.120 0.878 1.00 0.00 H new ATOM 647 N ALA A 45 4.206 -5.457 -0.076 1.00 0.00 N ATOM 648 CA ALA A 45 5.646 -5.395 -0.294 1.00 0.00 C ATOM 649 C ALA A 45 6.324 -6.686 0.153 1.00 0.00 C ATOM 650 O ALA A 45 7.537 -6.839 0.019 1.00 0.00 O ATOM 651 CB ALA A 45 6.240 -4.203 0.441 1.00 0.00 C ATOM 0 H ALA A 45 3.929 -5.480 0.905 1.00 0.00 H new ATOM 0 HA ALA A 45 5.822 -5.273 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.316 -4.169 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.784 -3.284 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.046 -4.301 1.509 1.00 0.00 H new ATOM 657 N ASN A 46 5.532 -7.612 0.684 1.00 0.00 N ATOM 658 CA ASN A 46 6.058 -8.890 1.151 1.00 0.00 C ATOM 659 C ASN A 46 7.151 -8.680 2.194 1.00 0.00 C ATOM 660 O ASN A 46 8.031 -9.523 2.366 1.00 0.00 O ATOM 661 CB ASN A 46 6.608 -9.699 -0.025 1.00 0.00 C ATOM 662 CG ASN A 46 6.780 -11.168 0.314 1.00 0.00 C ATOM 663 OD1 ASN A 46 5.830 -11.838 0.719 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.997 -11.674 0.150 1.00 0.00 N ATOM 0 H ASN A 46 4.525 -7.502 0.802 1.00 0.00 H new ATOM 0 HA ASN A 46 5.241 -9.444 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.934 -9.602 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.569 -9.284 -0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.174 -12.656 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.755 -11.081 -0.188 1.00 0.00 H new ATOM 671 N LYS A 47 7.088 -7.550 2.890 1.00 0.00 N ATOM 672 CA LYS A 47 8.070 -7.228 3.919 1.00 0.00 C ATOM 673 C LYS A 47 7.532 -7.558 5.307 1.00 0.00 C ATOM 674 O LYS A 47 6.442 -8.114 5.445 1.00 0.00 O ATOM 675 CB LYS A 47 8.448 -5.747 3.846 1.00 0.00 C ATOM 676 CG LYS A 47 9.574 -5.454 2.870 1.00 0.00 C ATOM 677 CD LYS A 47 10.935 -5.583 3.533 1.00 0.00 C ATOM 678 CE LYS A 47 11.955 -4.649 2.901 1.00 0.00 C ATOM 679 NZ LYS A 47 13.270 -4.710 3.597 1.00 0.00 N ATOM 0 H LYS A 47 6.366 -6.841 2.760 1.00 0.00 H new ATOM 0 HA LYS A 47 8.959 -7.833 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.569 -5.170 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.741 -5.406 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.513 -6.141 2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.457 -4.447 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.845 -5.359 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.284 -6.612 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.087 -4.912 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.577 -3.627 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.937 -4.059 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.149 -4.434 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.643 -5.680 3.549 1.00 0.00 H new ATOM 693 N SER A 48 8.302 -7.211 6.333 1.00 0.00 N ATOM 694 CA SER A 48 7.903 -7.473 7.711 1.00 0.00 C ATOM 695 C SER A 48 7.236 -6.247 8.326 1.00 0.00 C ATOM 696 O SER A 48 7.573 -5.112 7.992 1.00 0.00 O ATOM 697 CB SER A 48 9.118 -7.880 8.547 1.00 0.00 C ATOM 698 OG SER A 48 9.596 -9.158 8.164 1.00 0.00 O ATOM 0 H SER A 48 9.206 -6.748 6.236 1.00 0.00 H new ATOM 0 HA SER A 48 7.184 -8.292 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.910 -7.141 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.850 -7.890 9.603 1.00 0.00 H new ATOM 0 HG SER A 48 10.373 -9.394 8.712 1.00 0.00 H new ATOM 704 N GLN A 49 6.288 -6.486 9.226 1.00 0.00 N ATOM 705 CA GLN A 49 5.572 -5.401 9.888 1.00 0.00 C ATOM 706 C GLN A 49 6.522 -4.266 10.253 1.00 0.00 C ATOM 707 O GLN A 49 6.249 -3.100 9.970 1.00 0.00 O ATOM 708 CB GLN A 49 4.869 -5.918 11.145 1.00 0.00 C ATOM 709 CG GLN A 49 3.699 -5.054 11.586 1.00 0.00 C ATOM 710 CD GLN A 49 3.107 -5.503 12.907 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.613 -6.426 13.545 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.029 -4.851 13.325 1.00 0.00 N ATOM 0 H GLN A 49 5.998 -7.421 9.514 1.00 0.00 H new ATOM 0 HA GLN A 49 4.824 -5.016 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.513 -6.932 10.961 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.593 -5.977 11.958 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.029 -4.019 11.673 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.925 -5.078 10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.643 -4.092 12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.587 -5.109 14.207 1.00 0.00 H new ATOM 721 N GLY A 50 7.640 -4.614 10.884 1.00 0.00 N ATOM 722 CA GLY A 50 8.613 -3.612 11.278 1.00 0.00 C ATOM 723 C GLY A 50 8.963 -2.668 10.145 1.00 0.00 C ATOM 724 O GLY A 50 9.172 -1.475 10.365 1.00 0.00 O ATOM 0 H GLY A 50 7.889 -5.572 11.129 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.220 -3.038 12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.519 -4.107 11.627 1.00 0.00 H new ATOM 728 N TRP A 51 9.030 -3.202 8.931 1.00 0.00 N ATOM 729 CA TRP A 51 9.360 -2.398 7.760 1.00 0.00 C ATOM 730 C TRP A 51 8.184 -1.516 7.356 1.00 0.00 C ATOM 731 O TRP A 51 8.368 -0.453 6.761 1.00 0.00 O ATOM 732 CB TRP A 51 9.759 -3.302 6.592 1.00 0.00 C ATOM 733 CG TRP A 51 10.043 -2.548 5.328 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.268 -2.182 4.849 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.080 -2.066 4.383 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.125 -1.502 3.663 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.793 -1.418 3.356 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.686 -2.121 4.305 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.157 -0.830 2.265 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.057 -1.536 3.222 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.792 -0.899 2.214 1.00 0.00 C ATOM 0 H TRP A 51 8.860 -4.188 8.732 1.00 0.00 H new ATOM 0 HA TRP A 51 10.201 -1.754 8.017 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.643 -3.875 6.871 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.959 -4.019 6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.211 -2.395 5.331 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.887 -1.122 3.102 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.111 -2.611 5.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.722 -0.337 1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.980 -1.571 3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.270 -0.453 1.380 1.00 0.00 H new ATOM 752 N LEU A 52 6.976 -1.961 7.684 1.00 0.00 N ATOM 753 CA LEU A 52 5.769 -1.210 7.356 1.00 0.00 C ATOM 754 C LEU A 52 5.489 -0.142 8.408 1.00 0.00 C ATOM 755 O LEU A 52 5.428 1.048 8.098 1.00 0.00 O ATOM 756 CB LEU A 52 4.572 -2.156 7.242 1.00 0.00 C ATOM 757 CG LEU A 52 3.301 -1.559 6.636 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.749 -0.460 7.530 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.576 -1.025 5.238 1.00 0.00 C ATOM 0 H LEU A 52 6.806 -2.838 8.177 1.00 0.00 H new ATOM 0 HA LEU A 52 5.927 -0.716 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.869 -3.015 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.335 -2.531 8.237 1.00 0.00 H new ATOM 0 HG LEU A 52 2.552 -2.348 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.845 -0.047 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.513 -0.873 8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.493 0.329 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.660 -0.604 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.341 -0.250 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.924 -1.838 4.600 1.00 0.00 H new ATOM 771 N CYS A 53 5.322 -0.575 9.653 1.00 0.00 N ATOM 772 CA CYS A 53 5.050 0.345 10.752 1.00 0.00 C ATOM 773 C CYS A 53 5.937 1.582 10.659 1.00 0.00 C ATOM 774 O CYS A 53 5.452 2.711 10.721 1.00 0.00 O ATOM 775 CB CYS A 53 5.268 -0.354 12.095 1.00 0.00 C ATOM 776 SG CYS A 53 4.221 0.270 13.430 1.00 0.00 S ATOM 0 H CYS A 53 5.370 -1.556 9.926 1.00 0.00 H new ATOM 0 HA CYS A 53 4.009 0.661 10.679 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.083 -1.421 11.971 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.313 -0.243 12.385 1.00 0.00 H new ATOM 0 HG CYS A 53 4.477 -0.384 14.524 1.00 0.00 H new ATOM 782 N GLU A 54 7.240 1.359 10.511 1.00 0.00 N ATOM 783 CA GLU A 54 8.195 2.457 10.411 1.00 0.00 C ATOM 784 C GLU A 54 7.774 3.448 9.330 1.00 0.00 C ATOM 785 O GLU A 54 7.655 4.647 9.583 1.00 0.00 O ATOM 786 CB GLU A 54 9.595 1.918 10.109 1.00 0.00 C ATOM 787 CG GLU A 54 10.147 1.013 11.197 1.00 0.00 C ATOM 788 CD GLU A 54 11.225 0.077 10.686 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.228 -0.217 9.473 1.00 0.00 O ATOM 790 OE2 GLU A 54 12.065 -0.361 11.500 1.00 0.00 O ATOM 0 H GLU A 54 7.657 0.430 10.458 1.00 0.00 H new ATOM 0 HA GLU A 54 8.213 2.978 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.568 1.367 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.275 2.758 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.554 1.625 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.334 0.426 11.623 1.00 0.00 H new ATOM 797 N LEU A 55 7.552 2.938 8.123 1.00 0.00 N ATOM 798 CA LEU A 55 7.145 3.777 7.001 1.00 0.00 C ATOM 799 C LEU A 55 6.071 4.772 7.427 1.00 0.00 C ATOM 800 O LEU A 55 6.104 5.942 7.041 1.00 0.00 O ATOM 801 CB LEU A 55 6.628 2.910 5.852 1.00 0.00 C ATOM 802 CG LEU A 55 7.669 2.466 4.824 1.00 0.00 C ATOM 803 CD1 LEU A 55 9.034 2.315 5.478 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.245 1.163 4.164 1.00 0.00 C ATOM 0 H LEU A 55 7.647 1.948 7.897 1.00 0.00 H new ATOM 0 HA LEU A 55 8.017 4.336 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.163 2.020 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.845 3.461 5.331 1.00 0.00 H new ATOM 0 HG LEU A 55 7.741 3.233 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.762 1.998 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.342 3.271 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.978 1.568 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.998 0.862 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.144 0.387 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.289 1.305 3.660 1.00 0.00 H new ATOM 816 N LEU A 56 5.119 4.302 8.226 1.00 0.00 N ATOM 817 CA LEU A 56 4.035 5.151 8.707 1.00 0.00 C ATOM 818 C LEU A 56 4.511 6.052 9.842 1.00 0.00 C ATOM 819 O LEU A 56 3.929 7.106 10.097 1.00 0.00 O ATOM 820 CB LEU A 56 2.861 4.293 9.181 1.00 0.00 C ATOM 821 CG LEU A 56 2.525 3.078 8.315 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.303 2.356 8.860 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.297 3.499 6.870 1.00 0.00 C ATOM 0 H LEU A 56 5.076 3.337 8.554 1.00 0.00 H new ATOM 0 HA LEU A 56 3.707 5.781 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.076 3.946 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.976 4.926 9.243 1.00 0.00 H new ATOM 0 HG LEU A 56 3.371 2.391 8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.079 1.494 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.502 2.020 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.450 3.035 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.059 2.622 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.469 4.206 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.200 3.971 6.482 1.00 0.00 H new ATOM 835 N ARG A 57 5.575 5.631 10.518 1.00 0.00 N ATOM 836 CA ARG A 57 6.131 6.401 11.625 1.00 0.00 C ATOM 837 C ARG A 57 6.982 7.557 11.109 1.00 0.00 C ATOM 838 O ARG A 57 6.715 8.720 11.411 1.00 0.00 O ATOM 839 CB ARG A 57 6.971 5.498 12.530 1.00 0.00 C ATOM 840 CG ARG A 57 7.841 6.264 13.514 1.00 0.00 C ATOM 841 CD ARG A 57 8.693 5.323 14.352 1.00 0.00 C ATOM 842 NE ARG A 57 8.971 5.871 15.677 1.00 0.00 N ATOM 843 CZ ARG A 57 9.267 5.123 16.734 1.00 0.00 C ATOM 844 NH1 ARG A 57 9.324 3.803 16.621 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.508 5.695 17.907 1.00 0.00 N ATOM 0 H ARG A 57 6.069 4.761 10.319 1.00 0.00 H new ATOM 0 HA ARG A 57 5.303 6.812 12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.307 4.835 13.084 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.607 4.867 11.910 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.486 6.954 12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.210 6.865 14.168 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.182 4.366 14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.633 5.128 13.836 1.00 0.00 H new ATOM 0 HE ARG A 57 8.936 6.883 15.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.140 3.360 15.721 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.552 3.231 17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.466 6.710 17.998 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.735 5.120 18.718 1.00 0.00 H new ATOM 859 N TRP A 58 8.007 7.229 10.331 1.00 0.00 N ATOM 860 CA TRP A 58 8.899 8.240 9.774 1.00 0.00 C ATOM 861 C TRP A 58 8.237 8.966 8.608 1.00 0.00 C ATOM 862 O TRP A 58 8.342 10.186 8.483 1.00 0.00 O ATOM 863 CB TRP A 58 10.208 7.598 9.314 1.00 0.00 C ATOM 864 CG TRP A 58 10.894 6.812 10.391 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.729 5.485 10.669 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.853 7.305 11.333 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.527 5.123 11.727 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.226 6.221 12.152 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.433 8.555 11.564 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.152 6.353 13.184 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.351 8.684 12.588 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.704 7.589 13.387 1.00 0.00 C ATOM 0 H TRP A 58 8.241 6.271 10.071 1.00 0.00 H new ATOM 0 HA TRP A 58 9.116 8.968 10.556 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.005 6.941 8.468 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.881 8.378 8.958 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.068 4.818 10.135 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.589 4.188 12.130 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.168 9.405 10.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.425 5.510 13.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.805 9.646 12.776 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.426 7.723 14.179 1.00 0.00 H new ATOM 883 N LYS A 59 7.555 8.208 7.755 1.00 0.00 N ATOM 884 CA LYS A 59 6.875 8.779 6.599 1.00 0.00 C ATOM 885 C LYS A 59 7.835 9.617 5.761 1.00 0.00 C ATOM 886 O LYS A 59 7.464 10.669 5.243 1.00 0.00 O ATOM 887 CB LYS A 59 5.692 9.639 7.051 1.00 0.00 C ATOM 888 CG LYS A 59 4.553 8.837 7.655 1.00 0.00 C ATOM 889 CD LYS A 59 3.254 9.626 7.655 1.00 0.00 C ATOM 890 CE LYS A 59 2.049 8.717 7.839 1.00 0.00 C ATOM 891 NZ LYS A 59 1.729 8.505 9.278 1.00 0.00 N ATOM 0 H LYS A 59 7.459 7.196 7.843 1.00 0.00 H new ATOM 0 HA LYS A 59 6.506 7.958 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.041 10.366 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.316 10.202 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.419 7.913 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.808 8.554 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.277 10.367 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.159 10.172 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.186 9.152 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.244 7.755 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.774 8.102 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.421 7.850 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.768 9.415 9.780 1.00 0.00 H new ATOM 905 N GLU A 60 9.070 9.142 5.633 1.00 0.00 N ATOM 906 CA GLU A 60 10.083 9.848 4.856 1.00 0.00 C ATOM 907 C GLU A 60 9.550 10.216 3.475 1.00 0.00 C ATOM 908 O GLU A 60 8.811 9.450 2.858 1.00 0.00 O ATOM 909 CB GLU A 60 11.342 8.989 4.718 1.00 0.00 C ATOM 910 CG GLU A 60 12.623 9.800 4.618 1.00 0.00 C ATOM 911 CD GLU A 60 12.852 10.361 3.228 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.454 9.699 2.248 1.00 0.00 O ATOM 913 OE2 GLU A 60 13.429 11.464 3.122 1.00 0.00 O ATOM 0 H GLU A 60 9.393 8.272 6.057 1.00 0.00 H new ATOM 0 HA GLU A 60 10.336 10.767 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.411 8.320 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.249 8.362 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.586 10.620 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.469 9.171 4.896 1.00 0.00 H new ATOM 920 N ASN A 61 9.932 11.396 2.995 1.00 0.00 N ATOM 921 CA ASN A 61 9.492 11.867 1.687 1.00 0.00 C ATOM 922 C ASN A 61 9.993 10.944 0.580 1.00 0.00 C ATOM 923 O ASN A 61 11.195 10.769 0.380 1.00 0.00 O ATOM 924 CB ASN A 61 9.990 13.293 1.441 1.00 0.00 C ATOM 925 CG ASN A 61 9.865 13.707 -0.012 1.00 0.00 C ATOM 926 OD1 ASN A 61 10.645 13.277 -0.861 1.00 0.00 O ATOM 927 ND2 ASN A 61 8.878 14.547 -0.304 1.00 0.00 N ATOM 0 H ASN A 61 10.545 12.042 3.492 1.00 0.00 H new ATOM 0 HA ASN A 61 8.402 11.863 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.423 13.985 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.033 13.369 1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.743 14.861 -1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.255 14.878 0.433 1.00 0.00 H new ATOM 934 N PRO A 62 9.050 10.340 -0.158 1.00 0.00 N ATOM 935 CA PRO A 62 9.371 9.426 -1.259 1.00 0.00 C ATOM 936 C PRO A 62 9.981 10.149 -2.454 1.00 0.00 C ATOM 937 O PRO A 62 9.605 11.278 -2.767 1.00 0.00 O ATOM 938 CB PRO A 62 8.011 8.829 -1.632 1.00 0.00 C ATOM 939 CG PRO A 62 7.017 9.852 -1.201 1.00 0.00 C ATOM 940 CD PRO A 62 7.598 10.503 0.024 1.00 0.00 C ATOM 0 HA PRO A 62 10.113 8.683 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.943 8.638 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.844 7.878 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.845 10.586 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.054 9.392 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.317 11.554 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.251 10.021 0.938 1.00 0.00 H new ATOM 948 N SER A 63 10.926 9.491 -3.119 1.00 0.00 N ATOM 949 CA SER A 63 11.591 10.073 -4.278 1.00 0.00 C ATOM 950 C SER A 63 12.229 8.988 -5.140 1.00 0.00 C ATOM 951 O SER A 63 12.561 7.900 -4.669 1.00 0.00 O ATOM 952 CB SER A 63 12.655 11.077 -3.831 1.00 0.00 C ATOM 953 OG SER A 63 12.098 12.369 -3.661 1.00 0.00 O ATOM 0 H SER A 63 11.248 8.555 -2.874 1.00 0.00 H new ATOM 0 HA SER A 63 10.840 10.592 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.103 10.744 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.455 11.117 -4.570 1.00 0.00 H new ATOM 0 HG SER A 63 11.166 12.288 -3.369 1.00 0.00 H new ATOM 959 N PRO A 64 12.406 9.290 -6.435 1.00 0.00 N ATOM 960 CA PRO A 64 13.005 8.355 -7.391 1.00 0.00 C ATOM 961 C PRO A 64 14.494 8.141 -7.137 1.00 0.00 C ATOM 962 O PRO A 64 15.151 7.384 -7.851 1.00 0.00 O ATOM 963 CB PRO A 64 12.787 9.040 -8.743 1.00 0.00 C ATOM 964 CG PRO A 64 12.683 10.491 -8.420 1.00 0.00 C ATOM 965 CD PRO A 64 12.034 10.568 -7.066 1.00 0.00 C ATOM 0 HA PRO A 64 12.559 7.363 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.615 8.844 -9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.882 8.677 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.667 10.960 -8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.089 11.016 -9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.400 11.420 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.952 10.677 -7.145 1.00 0.00 H new ATOM 973 N GLU A 65 15.017 8.812 -6.116 1.00 0.00 N ATOM 974 CA GLU A 65 16.429 8.694 -5.769 1.00 0.00 C ATOM 975 C GLU A 65 16.659 7.524 -4.817 1.00 0.00 C ATOM 976 O GLU A 65 17.671 6.829 -4.904 1.00 0.00 O ATOM 977 CB GLU A 65 16.930 9.991 -5.132 1.00 0.00 C ATOM 978 CG GLU A 65 17.285 11.069 -6.142 1.00 0.00 C ATOM 979 CD GLU A 65 18.688 10.909 -6.697 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.630 10.751 -5.893 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.843 10.942 -7.936 1.00 0.00 O ATOM 0 H GLU A 65 14.486 9.442 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 65 16.988 8.509 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.164 10.375 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.808 9.772 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.568 11.043 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.194 12.048 -5.671 1.00 0.00 H new ATOM 988 N ASN A 66 15.713 7.314 -3.907 1.00 0.00 N ATOM 989 CA ASN A 66 15.813 6.229 -2.937 1.00 0.00 C ATOM 990 C ASN A 66 15.333 4.913 -3.542 1.00 0.00 C ATOM 991 O ASN A 66 14.150 4.750 -3.840 1.00 0.00 O ATOM 992 CB ASN A 66 14.994 6.558 -1.688 1.00 0.00 C ATOM 993 CG ASN A 66 15.421 5.739 -0.485 1.00 0.00 C ATOM 994 OD1 ASN A 66 15.863 4.598 -0.622 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.290 6.320 0.703 1.00 0.00 N ATOM 0 H ASN A 66 14.869 7.880 -3.821 1.00 0.00 H new ATOM 0 HA ASN A 66 16.861 6.119 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.098 7.618 -1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.938 6.378 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.561 5.818 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.919 7.268 0.769 1.00 0.00 H new ATOM 1002 N ARG A 67 16.260 3.977 -3.718 1.00 0.00 N ATOM 1003 CA ARG A 67 15.932 2.675 -4.287 1.00 0.00 C ATOM 1004 C ARG A 67 15.152 1.826 -3.287 1.00 0.00 C ATOM 1005 O ARG A 67 13.982 1.510 -3.503 1.00 0.00 O ATOM 1006 CB ARG A 67 17.207 1.944 -4.710 1.00 0.00 C ATOM 1007 CG ARG A 67 17.793 2.447 -6.019 1.00 0.00 C ATOM 1008 CD ARG A 67 17.205 1.710 -7.212 1.00 0.00 C ATOM 1009 NE ARG A 67 18.129 1.674 -8.342 1.00 0.00 N ATOM 1010 CZ ARG A 67 17.741 1.528 -9.604 1.00 0.00 C ATOM 1011 NH1 ARG A 67 16.453 1.404 -9.895 1.00 0.00 N ATOM 1012 NH2 ARG A 67 18.642 1.505 -10.578 1.00 0.00 N ATOM 0 H ARG A 67 17.243 4.096 -3.475 1.00 0.00 H new ATOM 0 HA ARG A 67 15.307 2.837 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.954 2.050 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.991 0.880 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.600 3.515 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.875 2.318 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.950 0.691 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.278 2.195 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 67 19.127 1.766 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.758 1.421 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.158 1.292 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.633 1.599 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.343 1.393 -11.547 1.00 0.00 H new ATOM 1026 N THR A 68 15.810 1.457 -2.192 1.00 0.00 N ATOM 1027 CA THR A 68 15.181 0.643 -1.160 1.00 0.00 C ATOM 1028 C THR A 68 13.796 1.176 -0.808 1.00 0.00 C ATOM 1029 O THR A 68 12.896 0.411 -0.460 1.00 0.00 O ATOM 1030 CB THR A 68 16.039 0.593 0.117 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.352 0.113 -0.193 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.400 -0.306 1.164 1.00 0.00 C ATOM 0 H THR A 68 16.779 1.709 -1.997 1.00 0.00 H new ATOM 0 HA THR A 68 15.088 -0.365 -1.565 1.00 0.00 H new ATOM 0 HB THR A 68 16.108 1.603 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 68 17.892 0.086 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.025 -0.325 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.413 0.078 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.304 -1.316 0.766 1.00 0.00 H new ATOM 1040 N LEU A 69 13.633 2.491 -0.901 1.00 0.00 N ATOM 1041 CA LEU A 69 12.356 3.127 -0.592 1.00 0.00 C ATOM 1042 C LEU A 69 11.452 3.156 -1.820 1.00 0.00 C ATOM 1043 O LEU A 69 10.421 2.485 -1.860 1.00 0.00 O ATOM 1044 CB LEU A 69 12.584 4.549 -0.078 1.00 0.00 C ATOM 1045 CG LEU A 69 11.558 5.071 0.929 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.380 4.083 2.071 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.978 6.434 1.460 1.00 0.00 C ATOM 0 H LEU A 69 14.368 3.138 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 69 11.864 2.541 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.571 4.594 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.601 5.225 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 69 10.601 5.181 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.646 4.472 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.033 3.128 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.333 3.940 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.236 6.790 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.946 6.350 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.052 7.140 0.633 1.00 0.00 H new ATOM 1059 N TRP A 70 11.846 3.937 -2.820 1.00 0.00 N ATOM 1060 CA TRP A 70 11.072 4.052 -4.050 1.00 0.00 C ATOM 1061 C TRP A 70 10.626 2.680 -4.544 1.00 0.00 C ATOM 1062 O TRP A 70 9.453 2.472 -4.851 1.00 0.00 O ATOM 1063 CB TRP A 70 11.895 4.754 -5.131 1.00 0.00 C ATOM 1064 CG TRP A 70 11.092 5.129 -6.340 1.00 0.00 C ATOM 1065 CD1 TRP A 70 11.012 4.441 -7.517 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.257 6.282 -6.490 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.177 5.097 -8.389 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.701 6.229 -7.783 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.923 7.354 -5.657 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.832 7.206 -8.260 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 9.061 8.323 -6.132 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.522 8.244 -7.424 1.00 0.00 C ATOM 0 H TRP A 70 12.697 4.500 -2.803 1.00 0.00 H new ATOM 0 HA TRP A 70 10.184 4.646 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.344 5.653 -4.709 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.713 4.102 -5.435 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.529 3.517 -7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.949 4.790 -9.335 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.332 7.423 -4.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.417 7.147 -9.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.798 9.156 -5.497 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.850 9.017 -7.766 1.00 0.00 H new ATOM 1083 N GLU A 71 11.571 1.747 -4.617 1.00 0.00 N ATOM 1084 CA GLU A 71 11.273 0.394 -5.074 1.00 0.00 C ATOM 1085 C GLU A 71 10.022 -0.149 -4.389 1.00 0.00 C ATOM 1086 O GLU A 71 8.980 -0.315 -5.020 1.00 0.00 O ATOM 1087 CB GLU A 71 12.460 -0.532 -4.802 1.00 0.00 C ATOM 1088 CG GLU A 71 13.614 -0.345 -5.772 1.00 0.00 C ATOM 1089 CD GLU A 71 14.418 -1.614 -5.975 1.00 0.00 C ATOM 1090 OE1 GLU A 71 14.477 -2.435 -5.035 1.00 0.00 O ATOM 1091 OE2 GLU A 71 14.988 -1.787 -7.072 1.00 0.00 O ATOM 0 H GLU A 71 12.547 1.903 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 71 11.090 0.432 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.818 -0.360 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.121 -1.567 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.225 -0.009 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.271 0.441 -5.401 1.00 0.00 H new ATOM 1098 N ASN A 72 10.136 -0.424 -3.094 1.00 0.00 N ATOM 1099 CA ASN A 72 9.015 -0.949 -2.323 1.00 0.00 C ATOM 1100 C ASN A 72 7.779 -0.072 -2.494 1.00 0.00 C ATOM 1101 O ASN A 72 6.716 -0.549 -2.893 1.00 0.00 O ATOM 1102 CB ASN A 72 9.387 -1.043 -0.842 1.00 0.00 C ATOM 1103 CG ASN A 72 10.498 -2.044 -0.587 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.444 -3.180 -1.058 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.511 -1.625 0.162 1.00 0.00 N ATOM 0 H ASN A 72 10.993 -0.292 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 72 8.785 -1.947 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.698 -0.061 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.506 -1.327 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.287 -2.254 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.513 -0.674 0.531 1.00 0.00 H new ATOM 1112 N LEU A 73 7.925 1.213 -2.189 1.00 0.00 N ATOM 1113 CA LEU A 73 6.821 2.158 -2.310 1.00 0.00 C ATOM 1114 C LEU A 73 6.190 2.086 -3.696 1.00 0.00 C ATOM 1115 O LEU A 73 5.079 2.572 -3.910 1.00 0.00 O ATOM 1116 CB LEU A 73 7.309 3.581 -2.033 1.00 0.00 C ATOM 1117 CG LEU A 73 7.527 3.942 -0.563 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.622 5.450 -0.392 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.408 3.375 0.297 1.00 0.00 C ATOM 0 H LEU A 73 8.797 1.624 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 73 6.064 1.889 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.247 3.732 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.587 4.280 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 73 8.468 3.500 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.777 5.688 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.459 5.831 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.698 5.914 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.580 3.642 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.453 3.787 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.388 2.290 0.199 1.00 0.00 H new ATOM 1131 N CYS A 74 6.905 1.475 -4.634 1.00 0.00 N ATOM 1132 CA CYS A 74 6.415 1.337 -6.001 1.00 0.00 C ATOM 1133 C CYS A 74 5.429 0.178 -6.111 1.00 0.00 C ATOM 1134 O CYS A 74 4.349 0.319 -6.686 1.00 0.00 O ATOM 1135 CB CYS A 74 7.583 1.122 -6.965 1.00 0.00 C ATOM 1136 SG CYS A 74 7.200 1.514 -8.688 1.00 0.00 S ATOM 0 H CYS A 74 7.826 1.067 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 74 5.897 2.258 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.424 1.736 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.905 0.082 -6.903 1.00 0.00 H new ATOM 0 HG CYS A 74 8.250 1.302 -9.425 1.00 0.00 H new ATOM 1142 N THR A 75 5.809 -0.969 -5.557 1.00 0.00 N ATOM 1143 CA THR A 75 4.960 -2.154 -5.595 1.00 0.00 C ATOM 1144 C THR A 75 3.683 -1.941 -4.790 1.00 0.00 C ATOM 1145 O THR A 75 2.597 -2.331 -5.219 1.00 0.00 O ATOM 1146 CB THR A 75 5.698 -3.391 -5.049 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.183 -4.578 -5.662 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.548 -3.488 -3.538 1.00 0.00 C ATOM 0 H THR A 75 6.699 -1.103 -5.077 1.00 0.00 H new ATOM 0 HA THR A 75 4.703 -2.326 -6.640 1.00 0.00 H new ATOM 0 HB THR A 75 6.757 -3.290 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.658 -5.360 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.077 -4.369 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.967 -2.596 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.492 -3.569 -3.282 1.00 0.00 H new ATOM 1156 N ILE A 76 3.822 -1.322 -3.623 1.00 0.00 N ATOM 1157 CA ILE A 76 2.678 -1.057 -2.759 1.00 0.00 C ATOM 1158 C ILE A 76 1.705 -0.084 -3.418 1.00 0.00 C ATOM 1159 O ILE A 76 0.497 -0.151 -3.193 1.00 0.00 O ATOM 1160 CB ILE A 76 3.120 -0.481 -1.400 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.208 -1.360 -0.780 1.00 0.00 C ATOM 1162 CG2 ILE A 76 1.928 -0.363 -0.463 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.626 -0.916 0.605 1.00 0.00 C ATOM 0 H ILE A 76 4.715 -0.995 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 76 2.179 -2.012 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 76 3.532 0.516 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.849 -2.388 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.081 -1.358 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.256 0.045 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.183 0.299 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.490 -1.349 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.400 -1.584 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.015 0.101 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.764 -0.945 1.272 1.00 0.00 H new ATOM 1175 N ARG A 77 2.241 0.817 -4.235 1.00 0.00 N ATOM 1176 CA ARG A 77 1.420 1.803 -4.928 1.00 0.00 C ATOM 1177 C ARG A 77 0.487 1.127 -5.929 1.00 0.00 C ATOM 1178 O ARG A 77 -0.616 1.609 -6.187 1.00 0.00 O ATOM 1179 CB ARG A 77 2.307 2.820 -5.648 1.00 0.00 C ATOM 1180 CG ARG A 77 1.546 3.719 -6.609 1.00 0.00 C ATOM 1181 CD ARG A 77 0.817 4.832 -5.873 1.00 0.00 C ATOM 1182 NE ARG A 77 0.067 5.692 -6.785 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.581 6.785 -6.398 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -0.570 7.150 -5.124 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.241 7.515 -7.287 1.00 0.00 N ATOM 0 H ARG A 77 3.239 0.885 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 77 0.814 2.321 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.811 3.439 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.083 2.288 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.239 4.152 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.828 3.124 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.135 4.397 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.538 5.433 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 77 0.039 5.439 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.063 6.591 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.069 7.990 -4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.251 7.237 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.738 8.354 -6.989 1.00 0.00 H new ATOM 1199 N ARG A 78 0.938 0.010 -6.489 1.00 0.00 N ATOM 1200 CA ARG A 78 0.145 -0.731 -7.462 1.00 0.00 C ATOM 1201 C ARG A 78 -0.961 -1.524 -6.772 1.00 0.00 C ATOM 1202 O ARG A 78 -2.044 -1.711 -7.327 1.00 0.00 O ATOM 1203 CB ARG A 78 1.039 -1.677 -8.267 1.00 0.00 C ATOM 1204 CG ARG A 78 1.833 -0.981 -9.360 1.00 0.00 C ATOM 1205 CD ARG A 78 2.914 -1.889 -9.926 1.00 0.00 C ATOM 1206 NE ARG A 78 3.252 -1.543 -11.304 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.139 -2.211 -12.033 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.773 -3.256 -11.518 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.393 -1.836 -13.280 1.00 0.00 N ATOM 0 H ARG A 78 1.849 -0.402 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.316 -0.012 -8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.731 -2.175 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.420 -2.453 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.160 -0.672 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.289 -0.076 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.807 -1.820 -9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.576 -2.925 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 78 2.781 -0.745 -11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.580 -3.548 -10.560 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.454 -3.767 -12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.907 -1.034 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.074 -2.350 -13.838 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.681 -1.988 -5.559 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.651 -2.762 -4.793 1.00 0.00 C ATOM 1225 C PHE A 79 -2.902 -1.936 -4.508 1.00 0.00 C ATOM 1226 O PHE A 79 -4.025 -2.422 -4.646 1.00 0.00 O ATOM 1227 CB PHE A 79 -1.031 -3.239 -3.478 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.877 -4.240 -2.745 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -3.081 -3.863 -2.173 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.468 -5.559 -2.629 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.861 -4.782 -1.497 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -2.244 -6.483 -1.955 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.443 -6.094 -1.389 1.00 0.00 C ATOM 0 H PHE A 79 0.210 -1.842 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.937 -3.630 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.056 -3.681 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.860 -2.377 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.414 -2.839 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.532 -5.868 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.797 -4.475 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.914 -7.508 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.052 -6.814 -0.863 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.699 -0.685 -4.109 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.810 0.210 -3.803 1.00 0.00 C ATOM 1245 C LEU A 80 -4.651 0.479 -5.047 1.00 0.00 C ATOM 1246 O LEU A 80 -5.864 0.663 -4.960 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.286 1.529 -3.233 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.307 1.413 -2.064 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.627 2.748 -1.803 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -3.024 0.924 -0.814 1.00 0.00 C ATOM 0 H LEU A 80 -1.776 -0.268 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.441 -0.275 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.798 2.080 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.139 2.126 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.541 0.684 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.934 2.646 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.079 3.058 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.380 3.498 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.312 0.847 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.812 1.629 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.463 -0.055 -1.006 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.997 0.499 -6.204 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.685 0.743 -7.467 1.00 0.00 C ATOM 1264 C ASN A 81 -5.734 -0.332 -7.732 1.00 0.00 C ATOM 1265 O ASN A 81 -6.711 -0.099 -8.446 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.679 0.786 -8.619 1.00 0.00 C ATOM 1267 CG ASN A 81 -3.115 2.176 -8.844 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.841 3.168 -8.789 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.815 2.252 -9.099 1.00 0.00 N ATOM 0 H ASN A 81 -2.992 0.349 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.189 1.707 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.862 0.095 -8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.163 0.441 -9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.379 3.160 -9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.252 1.402 -9.135 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.526 -1.509 -7.152 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.455 -2.621 -7.325 1.00 0.00 C ATOM 1278 C LEU A 82 -7.817 -2.292 -6.723 1.00 0.00 C ATOM 1279 O LEU A 82 -7.931 -1.529 -5.763 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.891 -3.887 -6.677 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.552 -4.383 -7.225 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.001 -5.501 -6.355 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.707 -4.851 -8.665 1.00 0.00 C ATOM 0 H LEU A 82 -4.723 -1.718 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.583 -2.792 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.778 -3.705 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.624 -4.686 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.844 -3.555 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.048 -5.841 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.853 -5.133 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.706 -6.332 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.745 -5.201 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.430 -5.665 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.057 -4.023 -9.281 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.876 -2.880 -7.299 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.250 -2.666 -6.834 1.00 0.00 C ATOM 1297 C PRO A 83 -10.508 -3.307 -5.475 1.00 0.00 C ATOM 1298 O PRO A 83 -9.863 -4.289 -5.109 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.099 -3.342 -7.914 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.203 -4.372 -8.510 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.814 -3.800 -8.447 1.00 0.00 C ATOM 0 HA PRO A 83 -10.474 -1.608 -6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.994 -3.795 -7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.431 -2.624 -8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.264 -5.309 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.489 -4.590 -9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.065 -4.578 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.552 -3.277 -9.367 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.456 -2.745 -4.731 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.799 -3.263 -3.412 1.00 0.00 C ATOM 1311 C GLN A 84 -12.052 -4.766 -3.466 1.00 0.00 C ATOM 1312 O GLN A 84 -11.634 -5.509 -2.577 1.00 0.00 O ATOM 1313 CB GLN A 84 -13.033 -2.545 -2.864 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.066 -2.464 -1.347 1.00 0.00 C ATOM 1315 CD GLN A 84 -13.805 -1.239 -0.844 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -15.036 -1.206 -0.827 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -13.057 -0.224 -0.429 1.00 0.00 N ATOM 0 H GLN A 84 -12.000 -1.932 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.955 -3.079 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.068 -1.536 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.928 -3.061 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.543 -3.360 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.045 -2.450 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.040 -0.294 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.499 0.626 -0.079 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.740 -5.208 -4.515 1.00 0.00 N ATOM 1327 CA HIS A 85 -13.049 -6.623 -4.685 1.00 0.00 C ATOM 1328 C HIS A 85 -11.771 -7.444 -4.833 1.00 0.00 C ATOM 1329 O HIS A 85 -11.753 -8.639 -4.538 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.945 -6.828 -5.906 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.185 -7.036 -7.179 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.950 -6.027 -8.089 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.603 -8.146 -7.692 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.258 -6.507 -9.107 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.035 -7.791 -8.890 1.00 0.00 N ATOM 0 H HIS A 85 -13.094 -4.607 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.578 -6.964 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.590 -7.690 -5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.596 -5.961 -6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.589 -9.128 -7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.930 -5.945 -9.969 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.524 -8.417 -9.512 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.706 -6.795 -5.293 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.426 -7.466 -5.482 1.00 0.00 C ATOM 1346 C GLU A 86 -8.629 -7.495 -4.181 1.00 0.00 C ATOM 1347 O GLU A 86 -8.402 -8.557 -3.602 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.614 -6.767 -6.575 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.874 -7.313 -7.969 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.967 -8.477 -8.318 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -6.778 -8.234 -8.614 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -8.446 -9.630 -8.296 1.00 0.00 O ATOM 0 H GLU A 86 -10.705 -5.806 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.626 -8.493 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.845 -5.702 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.553 -6.866 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.914 -7.633 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.734 -6.516 -8.699 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.206 -6.319 -3.727 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.433 -6.208 -2.496 1.00 0.00 C ATOM 1361 C ARG A 87 -8.039 -7.073 -1.394 1.00 0.00 C ATOM 1362 O ARG A 87 -7.320 -7.740 -0.650 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.369 -4.750 -2.039 1.00 0.00 C ATOM 1364 CG ARG A 87 -6.722 -3.821 -3.053 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.479 -2.439 -2.466 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.618 -1.548 -2.674 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.673 -1.504 -1.868 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.734 -2.296 -0.807 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -9.670 -0.666 -2.124 1.00 0.00 N ATOM 0 H ARG A 87 -8.386 -5.430 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.422 -6.563 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.380 -4.399 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.813 -4.696 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.776 -4.247 -3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.362 -3.737 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.279 -2.529 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.590 -2.003 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.602 -0.926 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.970 -2.941 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.545 -2.260 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.626 -0.055 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.480 -0.633 -1.505 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.363 -7.054 -1.296 1.00 0.00 N ATOM 1384 CA ASP A 88 -10.066 -7.836 -0.286 1.00 0.00 C ATOM 1385 C ASP A 88 -9.788 -9.326 -0.461 1.00 0.00 C ATOM 1386 O ASP A 88 -9.716 -10.074 0.514 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.571 -7.573 -0.362 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.992 -6.378 0.471 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.271 -5.359 0.452 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.043 -6.462 1.141 1.00 0.00 O ATOM 0 H ASP A 88 -9.972 -6.506 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.701 -7.529 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.856 -7.407 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.109 -8.458 -0.021 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.634 -9.751 -1.711 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.364 -11.151 -2.015 1.00 0.00 C ATOM 1397 C VAL A 89 -7.966 -11.553 -1.557 1.00 0.00 C ATOM 1398 O VAL A 89 -7.786 -12.591 -0.921 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.499 -11.434 -3.523 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.173 -12.889 -3.825 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.898 -11.082 -4.007 1.00 0.00 C ATOM 0 H VAL A 89 -9.692 -9.145 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.104 -11.741 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.785 -10.808 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.274 -13.070 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.150 -13.105 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.861 -13.536 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.976 -11.288 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.631 -11.681 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.090 -10.024 -3.827 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.981 -10.724 -1.886 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.599 -10.993 -1.507 1.00 0.00 C ATOM 1413 C ILE A 90 -5.473 -11.199 -0.001 1.00 0.00 C ATOM 1414 O ILE A 90 -4.886 -12.182 0.455 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.664 -9.847 -1.937 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.724 -9.654 -3.454 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.238 -10.131 -1.489 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.362 -8.254 -3.899 1.00 0.00 C ATOM 0 H ILE A 90 -7.114 -9.861 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.302 -11.906 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.997 -8.926 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.048 -10.364 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.730 -9.889 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.589 -9.312 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.209 -10.224 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.892 -11.060 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.426 -8.190 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.054 -7.540 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.345 -8.023 -3.581 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.027 -10.268 0.767 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.976 -10.347 2.222 1.00 0.00 C ATOM 1432 C TYR A 91 -6.634 -11.629 2.721 1.00 0.00 C ATOM 1433 O TYR A 91 -6.111 -12.303 3.608 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.665 -9.131 2.844 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.067 -7.810 2.414 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.707 -7.563 2.550 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.863 -6.810 1.869 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.157 -6.358 2.159 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.322 -5.602 1.473 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.968 -5.381 1.621 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.424 -4.179 1.229 1.00 0.00 O ATOM 0 H TYR A 91 -6.517 -9.449 0.406 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.929 -10.357 2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.722 -9.146 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.610 -9.209 3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.068 -8.327 2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.923 -6.980 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.098 -6.182 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.955 -4.836 1.050 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.791 -4.330 0.497 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.786 -11.959 2.144 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.516 -13.161 2.531 1.00 0.00 C ATOM 1453 C GLU A 92 -7.680 -14.411 2.277 1.00 0.00 C ATOM 1454 O GLU A 92 -7.435 -15.202 3.187 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.836 -13.252 1.762 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.976 -12.492 2.418 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.728 -13.330 3.433 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -12.247 -14.400 3.051 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -11.797 -12.917 4.610 1.00 0.00 O ATOM 0 H GLU A 92 -8.233 -11.412 1.408 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.729 -13.098 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.686 -12.867 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.118 -14.300 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.580 -11.603 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.669 -12.150 1.650 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.244 -14.583 1.032 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.437 -15.738 0.658 1.00 0.00 C ATOM 1468 C GLU A 93 -5.199 -15.846 1.545 1.00 0.00 C ATOM 1469 O GLU A 93 -4.880 -16.921 2.053 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.019 -15.642 -0.810 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.191 -15.573 -1.774 1.00 0.00 C ATOM 1472 CD GLU A 93 -6.871 -16.178 -3.127 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -6.181 -17.218 -3.163 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.309 -15.611 -4.150 1.00 0.00 O ATOM 0 H GLU A 93 -7.436 -13.937 0.266 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.043 -16.633 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.396 -14.757 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.404 -16.506 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.044 -16.094 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.487 -14.532 -1.906 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.507 -14.726 1.724 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.304 -14.695 2.548 1.00 0.00 C ATOM 1483 C GLU A 94 -3.620 -15.090 3.988 1.00 0.00 C ATOM 1484 O GLU A 94 -3.244 -16.170 4.444 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.673 -13.302 2.517 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.495 -13.146 3.464 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.446 -14.224 3.274 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.448 -14.871 2.205 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.376 -14.422 4.193 1.00 0.00 O ATOM 0 H GLU A 94 -4.758 -13.828 1.310 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.596 -15.416 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.343 -13.084 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.433 -12.563 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.038 -12.169 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.855 -13.172 4.493 1.00 0.00 H new