USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 525 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 49 THR OG1 : rot 180:sc= 0.945 USER MOD Set 1.2: A 62 SER OG : rot -112:sc= 0.715 USER MOD Set 2.1: A 19 MET CE :methyl 172:sc= -1.59 (180deg=-0.742) USER MOD Set 2.2: A 20 ASN : amide:sc= -1.19 K(o=-2.8,f=-4.5) USER MOD Single : A 23 MET CE :methyl 180:sc= -0.193 (180deg=-0.193) USER MOD Single : A 26 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.13) USER MOD Single : A 27 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -0.529 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-2.7) USER MOD Single : A 50 MET CE :methyl -128:sc= -3.49! (180deg=-3.86!) USER MOD Single : A 51 SER OG : rot -52:sc= 0.0278 USER MOD Single : A 57 THR OG1 : rot 111:sc= 1.23 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot 6:sc= 0.776 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-4.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.774 K(o=-0.77,f=-2!) USER MOD Single : A 81 MET CE :methyl -125:sc= -3.7! (180deg=-6.51!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.500 -13.002 -0.864 1.00 0.00 N ATOM 237 CA LEU A 18 -9.301 -11.837 -0.008 1.00 0.00 C ATOM 238 C LEU A 18 -7.983 -11.141 -0.334 1.00 0.00 C ATOM 239 O LEU A 18 -7.938 -9.923 -0.501 1.00 0.00 O ATOM 240 CB LEU A 18 -9.322 -12.251 1.464 1.00 0.00 C ATOM 241 CG LEU A 18 -8.409 -13.416 1.847 1.00 0.00 C ATOM 242 CD1 LEU A 18 -7.019 -12.911 2.200 1.00 0.00 C ATOM 243 CD2 LEU A 18 -9.004 -14.201 3.007 1.00 0.00 C ATOM 0 HA LEU A 18 -10.116 -11.137 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.047 -11.386 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.345 -12.514 1.732 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.324 -14.083 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.383 -13.754 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.591 -12.394 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.085 -12.222 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.341 -15.026 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.120 -13.544 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.978 -14.595 2.718 1.00 0.00 H new ATOM 255 N MET A 19 -6.913 -11.925 -0.424 1.00 0.00 N ATOM 256 CA MET A 19 -5.595 -11.384 -0.734 1.00 0.00 C ATOM 257 C MET A 19 -5.636 -10.547 -2.008 1.00 0.00 C ATOM 258 O MET A 19 -4.857 -9.609 -2.171 1.00 0.00 O ATOM 259 CB MET A 19 -4.578 -12.517 -0.887 1.00 0.00 C ATOM 260 CG MET A 19 -5.036 -13.621 -1.826 1.00 0.00 C ATOM 261 SD MET A 19 -4.699 -13.245 -3.557 1.00 0.00 S ATOM 262 CE MET A 19 -6.236 -13.759 -4.320 1.00 0.00 C ATOM 0 H MET A 19 -6.933 -12.936 -0.287 1.00 0.00 H new ATOM 0 HA MET A 19 -5.291 -10.741 0.092 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.639 -12.104 -1.255 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.374 -12.947 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.537 -14.552 -1.557 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.106 -13.783 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.240 -13.460 -5.368 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.332 -14.843 -4.252 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.073 -13.288 -3.805 1.00 0.00 H new ATOM 272 N ASN A 20 -6.550 -10.893 -2.909 1.00 0.00 N ATOM 273 CA ASN A 20 -6.691 -10.173 -4.170 1.00 0.00 C ATOM 274 C ASN A 20 -6.444 -8.680 -3.975 1.00 0.00 C ATOM 275 O ASN A 20 -5.709 -8.057 -4.740 1.00 0.00 O ATOM 276 CB ASN A 20 -8.086 -10.398 -4.756 1.00 0.00 C ATOM 277 CG ASN A 20 -8.141 -11.607 -5.671 1.00 0.00 C ATOM 278 OD1 ASN A 20 -8.846 -12.577 -5.394 1.00 0.00 O ATOM 279 ND2 ASN A 20 -7.394 -11.552 -6.768 1.00 0.00 N ATOM 0 H ASN A 20 -7.204 -11.667 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.945 -10.559 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.802 -10.527 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.391 -9.511 -5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.389 -12.335 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.825 -10.727 -6.957 1.00 0.00 H new ATOM 286 N ALA A 21 -7.064 -8.113 -2.945 1.00 0.00 N ATOM 287 CA ALA A 21 -6.909 -6.695 -2.647 1.00 0.00 C ATOM 288 C ALA A 21 -5.437 -6.308 -2.568 1.00 0.00 C ATOM 289 O ALA A 21 -4.976 -5.427 -3.296 1.00 0.00 O ATOM 290 CB ALA A 21 -7.618 -6.349 -1.346 1.00 0.00 C ATOM 0 H ALA A 21 -7.678 -8.614 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.364 -6.127 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.494 -5.287 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.679 -6.579 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.189 -6.933 -0.531 1.00 0.00 H new ATOM 296 N LEU A 22 -4.702 -6.970 -1.681 1.00 0.00 N ATOM 297 CA LEU A 22 -3.280 -6.694 -1.507 1.00 0.00 C ATOM 298 C LEU A 22 -2.570 -6.623 -2.855 1.00 0.00 C ATOM 299 O LEU A 22 -2.101 -5.562 -3.265 1.00 0.00 O ATOM 300 CB LEU A 22 -2.635 -7.772 -0.634 1.00 0.00 C ATOM 301 CG LEU A 22 -2.657 -7.517 0.873 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.208 -8.756 1.631 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.776 -6.327 1.225 1.00 0.00 C ATOM 0 H LEU A 22 -5.067 -7.702 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.180 -5.727 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.139 -8.719 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.598 -7.892 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.681 -7.287 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.230 -8.555 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.878 -9.585 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.193 -9.018 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.804 -6.160 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.751 -6.529 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.142 -5.439 0.710 1.00 0.00 H new ATOM 315 N MET A 23 -2.497 -7.760 -3.540 1.00 0.00 N ATOM 316 CA MET A 23 -1.847 -7.825 -4.844 1.00 0.00 C ATOM 317 C MET A 23 -2.374 -6.732 -5.769 1.00 0.00 C ATOM 318 O MET A 23 -1.603 -6.070 -6.464 1.00 0.00 O ATOM 319 CB MET A 23 -2.069 -9.198 -5.480 1.00 0.00 C ATOM 320 CG MET A 23 -1.153 -10.279 -4.928 1.00 0.00 C ATOM 321 SD MET A 23 -1.906 -11.917 -4.971 1.00 0.00 S ATOM 322 CE MET A 23 -1.390 -12.568 -3.385 1.00 0.00 C ATOM 0 H MET A 23 -2.879 -8.648 -3.214 1.00 0.00 H new ATOM 0 HA MET A 23 -0.778 -7.669 -4.698 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.106 -9.498 -5.325 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.917 -9.119 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.227 -10.294 -5.503 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.886 -10.033 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.779 -13.579 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.301 -12.590 -3.337 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.775 -11.932 -2.588 1.00 0.00 H new ATOM 332 N ARG A 24 -3.690 -6.550 -5.773 1.00 0.00 N ATOM 333 CA ARG A 24 -4.319 -5.538 -6.614 1.00 0.00 C ATOM 334 C ARG A 24 -3.681 -4.171 -6.389 1.00 0.00 C ATOM 335 O ARG A 24 -3.304 -3.485 -7.340 1.00 0.00 O ATOM 336 CB ARG A 24 -5.820 -5.466 -6.326 1.00 0.00 C ATOM 337 CG ARG A 24 -6.599 -6.658 -6.858 1.00 0.00 C ATOM 338 CD ARG A 24 -7.092 -6.414 -8.275 1.00 0.00 C ATOM 339 NE ARG A 24 -7.192 -7.653 -9.041 1.00 0.00 N ATOM 340 CZ ARG A 24 -7.986 -7.804 -10.095 1.00 0.00 C ATOM 341 NH1 ARG A 24 -8.745 -6.798 -10.507 1.00 0.00 N ATOM 342 NH2 ARG A 24 -8.022 -8.963 -10.741 1.00 0.00 N ATOM 0 H ARG A 24 -4.342 -7.090 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.169 -5.823 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.972 -5.395 -5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.223 -4.554 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.966 -7.545 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.449 -6.859 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.068 -5.929 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.413 -5.728 -8.782 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.621 -8.446 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.720 -5.905 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.354 -6.917 -11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.439 -9.740 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.632 -9.077 -11.550 1.00 0.00 H new ATOM 356 N LEU A 25 -3.563 -3.779 -5.125 1.00 0.00 N ATOM 357 CA LEU A 25 -2.971 -2.493 -4.774 1.00 0.00 C ATOM 358 C LEU A 25 -1.608 -2.322 -5.436 1.00 0.00 C ATOM 359 O LEU A 25 -1.350 -1.317 -6.098 1.00 0.00 O ATOM 360 CB LEU A 25 -2.831 -2.371 -3.255 1.00 0.00 C ATOM 361 CG LEU A 25 -2.760 -0.948 -2.700 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.089 -0.233 -2.893 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.372 -0.969 -1.229 1.00 0.00 C ATOM 0 H LEU A 25 -3.870 -4.334 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.632 -1.706 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.676 -2.879 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.931 -2.904 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.994 -0.401 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.020 0.778 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.326 -0.186 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.875 -0.778 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.326 0.052 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.115 -1.532 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.396 -1.442 -1.117 1.00 0.00 H new ATOM 375 N ASN A 26 -0.740 -3.312 -5.256 1.00 0.00 N ATOM 376 CA ASN A 26 0.597 -3.272 -5.838 1.00 0.00 C ATOM 377 C ASN A 26 0.526 -3.230 -7.362 1.00 0.00 C ATOM 378 O ASN A 26 1.166 -2.394 -7.999 1.00 0.00 O ATOM 379 CB ASN A 26 1.409 -4.488 -5.388 1.00 0.00 C ATOM 380 CG ASN A 26 1.504 -4.593 -3.878 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.404 -4.022 -3.261 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.574 -5.325 -3.276 1.00 0.00 N ATOM 0 H ASN A 26 -0.938 -4.152 -4.712 1.00 0.00 H new ATOM 0 HA ASN A 26 1.090 -2.365 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.951 -5.394 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.413 -4.427 -5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.587 -5.432 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.153 -5.780 -3.828 1.00 0.00 H new ATOM 389 N GLN A 27 -0.257 -4.136 -7.937 1.00 0.00 N ATOM 390 CA GLN A 27 -0.412 -4.202 -9.386 1.00 0.00 C ATOM 391 C GLN A 27 -0.575 -2.807 -9.980 1.00 0.00 C ATOM 392 O GLN A 27 0.171 -2.413 -10.876 1.00 0.00 O ATOM 393 CB GLN A 27 -1.617 -5.070 -9.752 1.00 0.00 C ATOM 394 CG GLN A 27 -1.400 -6.552 -9.493 1.00 0.00 C ATOM 395 CD GLN A 27 -2.684 -7.354 -9.581 1.00 0.00 C ATOM 396 OE1 GLN A 27 -3.327 -7.632 -8.568 1.00 0.00 O ATOM 397 NE2 GLN A 27 -3.066 -7.730 -10.796 1.00 0.00 N ATOM 0 H GLN A 27 -0.794 -4.834 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 27 0.490 -4.651 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.483 -4.733 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.852 -4.924 -10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.682 -6.942 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.961 -6.684 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.503 -7.478 -11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.922 -8.271 -10.917 1.00 0.00 H new ATOM 406 N ILE A 28 -1.556 -2.066 -9.475 1.00 0.00 N ATOM 407 CA ILE A 28 -1.816 -0.715 -9.956 1.00 0.00 C ATOM 408 C ILE A 28 -0.683 0.232 -9.574 1.00 0.00 C ATOM 409 O ILE A 28 -0.291 1.095 -10.360 1.00 0.00 O ATOM 410 CB ILE A 28 -3.141 -0.164 -9.397 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.153 -0.256 -7.870 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.321 -0.922 -9.988 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.294 0.501 -7.228 1.00 0.00 C ATOM 0 H ILE A 28 -2.183 -2.378 -8.734 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.886 -0.775 -11.042 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.229 0.885 -9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.213 -1.304 -7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.209 0.129 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.250 -0.521 -9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.319 -0.810 -11.072 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.240 -1.978 -9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.239 0.392 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.223 1.557 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.243 0.101 -7.586 1.00 0.00 H new ATOM 425 N ARG A 29 -0.161 0.064 -8.364 1.00 0.00 N ATOM 426 CA ARG A 29 0.927 0.903 -7.878 1.00 0.00 C ATOM 427 C ARG A 29 2.006 0.059 -7.205 1.00 0.00 C ATOM 428 O ARG A 29 1.946 -0.234 -6.011 1.00 0.00 O ATOM 429 CB ARG A 29 0.395 1.947 -6.895 1.00 0.00 C ATOM 430 CG ARG A 29 -0.803 2.722 -7.419 1.00 0.00 C ATOM 431 CD ARG A 29 -1.346 3.683 -6.373 1.00 0.00 C ATOM 432 NE ARG A 29 -0.728 5.003 -6.469 1.00 0.00 N ATOM 433 CZ ARG A 29 0.422 5.320 -5.884 1.00 0.00 C ATOM 434 NH1 ARG A 29 1.075 4.418 -5.165 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.920 6.543 -6.018 1.00 0.00 N ATOM 0 H ARG A 29 -0.474 -0.646 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 29 1.369 1.412 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.117 1.450 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.194 2.648 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.516 3.278 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.587 2.025 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.425 3.778 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.172 3.273 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.205 5.720 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.695 3.477 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.958 4.665 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.420 7.240 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.803 6.786 -5.569 1.00 0.00 H new ATOM 449 N PRO A 30 3.018 -0.343 -7.989 1.00 0.00 N ATOM 450 CA PRO A 30 4.129 -1.159 -7.491 1.00 0.00 C ATOM 451 C PRO A 30 5.040 -0.382 -6.546 1.00 0.00 C ATOM 452 O PRO A 30 5.178 0.835 -6.661 1.00 0.00 O ATOM 453 CB PRO A 30 4.885 -1.545 -8.765 1.00 0.00 C ATOM 454 CG PRO A 30 4.558 -0.467 -9.741 1.00 0.00 C ATOM 455 CD PRO A 30 3.155 -0.031 -9.422 1.00 0.00 C ATOM 0 HA PRO A 30 3.779 -2.013 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.959 -1.604 -8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.569 -2.521 -9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.255 0.366 -9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.630 -0.833 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.010 1.031 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.421 -0.569 -10.022 1.00 0.00 H new ATOM 463 N GLY A 31 5.662 -1.095 -5.612 1.00 0.00 N ATOM 464 CA GLY A 31 6.552 -0.456 -4.661 1.00 0.00 C ATOM 465 C GLY A 31 5.802 0.275 -3.565 1.00 0.00 C ATOM 466 O GLY A 31 5.953 1.486 -3.401 1.00 0.00 O ATOM 0 H GLY A 31 5.565 -2.104 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.201 -1.209 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.196 0.248 -5.188 1.00 0.00 H new ATOM 470 N LEU A 32 4.990 -0.461 -2.814 1.00 0.00 N ATOM 471 CA LEU A 32 4.211 0.125 -1.728 1.00 0.00 C ATOM 472 C LEU A 32 4.743 -0.325 -0.372 1.00 0.00 C ATOM 473 O LEU A 32 5.257 -1.435 -0.234 1.00 0.00 O ATOM 474 CB LEU A 32 2.738 -0.261 -1.865 1.00 0.00 C ATOM 475 CG LEU A 32 2.029 0.229 -3.128 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.769 -0.583 -3.383 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.697 1.710 -3.012 1.00 0.00 C ATOM 0 H LEU A 32 4.854 -1.464 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 32 4.303 1.209 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.663 -1.348 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.200 0.124 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 32 2.701 0.092 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.278 -0.219 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.032 -1.633 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.092 -0.480 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.193 2.042 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.044 1.870 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.617 2.280 -2.879 1.00 0.00 H new ATOM 489 N GLN A 33 4.615 0.543 0.627 1.00 0.00 N ATOM 490 CA GLN A 33 5.082 0.233 1.973 1.00 0.00 C ATOM 491 C GLN A 33 3.958 0.400 2.990 1.00 0.00 C ATOM 492 O GLN A 33 3.187 1.358 2.927 1.00 0.00 O ATOM 493 CB GLN A 33 6.262 1.132 2.346 1.00 0.00 C ATOM 494 CG GLN A 33 5.869 2.580 2.594 1.00 0.00 C ATOM 495 CD GLN A 33 7.043 3.438 3.021 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.446 4.358 2.309 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.600 3.141 4.189 1.00 0.00 N ATOM 0 H GLN A 33 4.192 1.466 0.529 1.00 0.00 H new ATOM 0 HA GLN A 33 5.409 -0.807 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.741 0.736 3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.002 1.097 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.432 2.995 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.098 2.617 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.234 2.370 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.394 3.684 4.528 1.00 0.00 H new ATOM 506 N TYR A 34 3.872 -0.537 3.928 1.00 0.00 N ATOM 507 CA TYR A 34 2.840 -0.495 4.958 1.00 0.00 C ATOM 508 C TYR A 34 3.460 -0.324 6.342 1.00 0.00 C ATOM 509 O TYR A 34 4.425 -1.004 6.691 1.00 0.00 O ATOM 510 CB TYR A 34 1.998 -1.771 4.917 1.00 0.00 C ATOM 511 CG TYR A 34 1.480 -2.111 3.538 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.301 -2.719 2.597 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.170 -1.823 3.176 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.833 -3.031 1.335 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.308 -2.133 1.917 1.00 0.00 C ATOM 516 CZ TYR A 34 0.528 -2.737 1.000 1.00 0.00 C ATOM 517 OH TYR A 34 0.056 -3.045 -0.255 1.00 0.00 O ATOM 0 H TYR A 34 4.504 -1.335 3.996 1.00 0.00 H new ATOM 0 HA TYR A 34 2.197 0.362 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.597 -2.603 5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.153 -1.660 5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.323 -2.952 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.486 -1.349 3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.485 -3.502 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.330 -1.904 1.652 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.790 -3.533 -0.176 1.00 0.00 H new ATOM 527 N LYS A 35 2.896 0.588 7.127 1.00 0.00 N ATOM 528 CA LYS A 35 3.389 0.848 8.474 1.00 0.00 C ATOM 529 C LYS A 35 2.286 0.637 9.507 1.00 0.00 C ATOM 530 O LYS A 35 1.113 0.902 9.241 1.00 0.00 O ATOM 531 CB LYS A 35 3.929 2.277 8.574 1.00 0.00 C ATOM 532 CG LYS A 35 5.096 2.552 7.641 1.00 0.00 C ATOM 533 CD LYS A 35 5.731 3.903 7.927 1.00 0.00 C ATOM 534 CE LYS A 35 6.656 3.841 9.132 1.00 0.00 C ATOM 535 NZ LYS A 35 8.004 3.322 8.770 1.00 0.00 N ATOM 0 H LYS A 35 2.097 1.159 6.853 1.00 0.00 H new ATOM 0 HA LYS A 35 4.196 0.145 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.124 2.977 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.242 2.467 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.844 1.767 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.752 2.522 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.292 4.235 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.950 4.643 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.754 4.836 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.214 3.202 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.605 3.295 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.913 2.362 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.437 3.946 8.059 1.00 0.00 H new ATOM 549 N LEU A 36 2.670 0.160 10.686 1.00 0.00 N ATOM 550 CA LEU A 36 1.714 -0.085 11.760 1.00 0.00 C ATOM 551 C LEU A 36 1.636 1.112 12.703 1.00 0.00 C ATOM 552 O LEU A 36 2.460 1.257 13.608 1.00 0.00 O ATOM 553 CB LEU A 36 2.106 -1.340 12.541 1.00 0.00 C ATOM 554 CG LEU A 36 0.991 -2.002 13.351 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.020 -2.664 12.427 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.570 -3.017 14.326 1.00 0.00 C ATOM 0 H LEU A 36 3.636 -0.065 10.922 1.00 0.00 H new ATOM 0 HA LEU A 36 0.732 -0.235 11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.501 -2.073 11.837 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.918 -1.082 13.221 1.00 0.00 H new ATOM 0 HG LEU A 36 0.477 -1.230 13.924 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.806 -3.130 13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.459 -1.913 11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.479 -3.424 11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.762 -3.478 14.894 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.110 -3.786 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.254 -2.515 15.010 1.00 0.00 H new ATOM 568 N LEU A 37 0.641 1.964 12.488 1.00 0.00 N ATOM 569 CA LEU A 37 0.453 3.148 13.320 1.00 0.00 C ATOM 570 C LEU A 37 0.651 2.813 14.795 1.00 0.00 C ATOM 571 O LEU A 37 1.433 3.461 15.490 1.00 0.00 O ATOM 572 CB LEU A 37 -0.943 3.733 13.101 1.00 0.00 C ATOM 573 CG LEU A 37 -1.244 4.240 11.690 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.720 4.576 11.547 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.385 5.453 11.364 1.00 0.00 C ATOM 0 H LEU A 37 -0.049 1.858 11.744 1.00 0.00 H new ATOM 0 HA LEU A 37 1.199 3.888 13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.679 2.970 13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.083 4.558 13.800 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.002 3.448 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.915 4.935 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.316 3.683 11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.988 5.351 12.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.613 5.800 10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.594 6.250 12.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.668 5.180 11.424 1.00 0.00 H new ATOM 587 N SER A 38 -0.063 1.795 15.266 1.00 0.00 N ATOM 588 CA SER A 38 0.033 1.374 16.659 1.00 0.00 C ATOM 589 C SER A 38 -0.788 0.111 16.903 1.00 0.00 C ATOM 590 O SER A 38 -1.723 -0.186 16.160 1.00 0.00 O ATOM 591 CB SER A 38 -0.445 2.494 17.586 1.00 0.00 C ATOM 592 OG SER A 38 -0.076 2.236 18.929 1.00 0.00 O ATOM 0 H SER A 38 -0.714 1.247 14.704 1.00 0.00 H new ATOM 0 HA SER A 38 1.078 1.154 16.875 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.018 3.444 17.264 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.528 2.591 17.515 1.00 0.00 H new ATOM 0 HG SER A 38 -0.391 2.967 19.501 1.00 0.00 H new ATOM 598 N GLN A 39 -0.430 -0.627 17.948 1.00 0.00 N ATOM 599 CA GLN A 39 -1.132 -1.858 18.290 1.00 0.00 C ATOM 600 C GLN A 39 -1.827 -1.731 19.642 1.00 0.00 C ATOM 601 O GLN A 39 -1.217 -1.320 20.628 1.00 0.00 O ATOM 602 CB GLN A 39 -0.157 -3.037 18.314 1.00 0.00 C ATOM 603 CG GLN A 39 -0.835 -4.383 18.506 1.00 0.00 C ATOM 604 CD GLN A 39 -1.034 -4.733 19.967 1.00 0.00 C ATOM 605 OE1 GLN A 39 -2.107 -4.513 20.530 1.00 0.00 O ATOM 606 NE2 GLN A 39 0.001 -5.282 20.591 1.00 0.00 N ATOM 0 H GLN A 39 0.342 -0.394 18.573 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.890 -2.038 17.527 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.405 -3.052 17.380 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.564 -2.885 19.117 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.802 -4.373 18.004 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.236 -5.159 18.029 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.872 -5.447 20.086 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.075 -5.539 21.575 1.00 0.00 H new ATOM 615 N SER A 40 -3.108 -2.086 19.678 1.00 0.00 N ATOM 616 CA SER A 40 -3.887 -2.008 20.908 1.00 0.00 C ATOM 617 C SER A 40 -4.733 -3.264 21.096 1.00 0.00 C ATOM 618 O SER A 40 -5.058 -3.957 20.133 1.00 0.00 O ATOM 619 CB SER A 40 -4.788 -0.771 20.888 1.00 0.00 C ATOM 620 OG SER A 40 -4.020 0.419 20.917 1.00 0.00 O ATOM 0 H SER A 40 -3.627 -2.430 18.870 1.00 0.00 H new ATOM 0 HA SER A 40 -3.193 -1.930 21.745 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.410 -0.785 19.993 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.462 -0.794 21.745 1.00 0.00 H new ATOM 0 HG SER A 40 -4.618 1.195 20.902 1.00 0.00 H new ATOM 626 N GLY A 41 -5.087 -3.550 22.345 1.00 0.00 N ATOM 627 CA GLY A 41 -5.891 -4.722 22.638 1.00 0.00 C ATOM 628 C GLY A 41 -5.114 -5.788 23.385 1.00 0.00 C ATOM 629 O GLY A 41 -3.955 -5.596 23.755 1.00 0.00 O ATOM 0 H GLY A 41 -4.831 -2.991 23.159 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.757 -4.426 23.231 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.271 -5.140 21.706 1.00 0.00 H new ATOM 633 N PRO A 42 -5.757 -6.941 23.618 1.00 0.00 N ATOM 634 CA PRO A 42 -5.137 -8.064 24.328 1.00 0.00 C ATOM 635 C PRO A 42 -4.036 -8.730 23.510 1.00 0.00 C ATOM 636 O PRO A 42 -3.667 -8.249 22.439 1.00 0.00 O ATOM 637 CB PRO A 42 -6.302 -9.033 24.545 1.00 0.00 C ATOM 638 CG PRO A 42 -7.267 -8.716 23.455 1.00 0.00 C ATOM 639 CD PRO A 42 -7.139 -7.239 23.205 1.00 0.00 C ATOM 0 HA PRO A 42 -4.652 -7.745 25.251 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.970 -10.070 24.490 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.754 -8.894 25.527 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.039 -9.285 22.554 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.285 -8.976 23.747 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.307 -6.993 22.156 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.864 -6.669 23.786 1.00 0.00 H new ATOM 647 N VAL A 43 -3.514 -9.840 24.022 1.00 0.00 N ATOM 648 CA VAL A 43 -2.455 -10.573 23.339 1.00 0.00 C ATOM 649 C VAL A 43 -3.034 -11.590 22.362 1.00 0.00 C ATOM 650 O VAL A 43 -2.412 -11.920 21.351 1.00 0.00 O ATOM 651 CB VAL A 43 -1.540 -11.303 24.340 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.331 -12.331 25.135 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.374 -11.959 23.616 1.00 0.00 C ATOM 0 H VAL A 43 -3.808 -10.251 24.908 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.866 -9.839 22.790 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.137 -10.570 25.039 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.668 -12.837 25.837 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.128 -11.831 25.685 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.764 -13.063 24.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.262 -12.470 24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.754 -12.681 22.893 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.207 -11.197 23.097 1.00 0.00 H new ATOM 663 N HIS A 44 -4.229 -12.085 22.669 1.00 0.00 N ATOM 664 CA HIS A 44 -4.893 -13.065 21.817 1.00 0.00 C ATOM 665 C HIS A 44 -5.648 -12.377 20.684 1.00 0.00 C ATOM 666 O HIS A 44 -5.733 -12.901 19.574 1.00 0.00 O ATOM 667 CB HIS A 44 -5.856 -13.919 22.642 1.00 0.00 C ATOM 668 CG HIS A 44 -7.242 -13.356 22.718 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.540 -12.178 23.369 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.413 -13.815 22.218 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.835 -11.937 23.268 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.388 -12.916 22.574 1.00 0.00 N ATOM 0 H HIS A 44 -4.757 -11.823 23.501 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.129 -13.709 21.382 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.902 -14.919 22.211 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.460 -14.025 23.652 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.554 -14.720 21.646 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.353 -11.085 23.682 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.378 -12.992 22.341 1.00 0.00 H new ATOM 681 N ALA A 45 -6.194 -11.200 20.972 1.00 0.00 N ATOM 682 CA ALA A 45 -6.940 -10.440 19.977 1.00 0.00 C ATOM 683 C ALA A 45 -6.327 -9.060 19.767 1.00 0.00 C ATOM 684 O ALA A 45 -6.995 -8.033 19.883 1.00 0.00 O ATOM 685 CB ALA A 45 -8.398 -10.314 20.393 1.00 0.00 C ATOM 0 H ALA A 45 -6.134 -10.752 21.886 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.889 -10.979 19.031 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.943 -9.744 19.641 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.837 -11.307 20.485 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.460 -9.800 21.352 1.00 0.00 H new ATOM 691 N PRO A 46 -5.023 -9.032 19.452 1.00 0.00 N ATOM 692 CA PRO A 46 -4.291 -7.783 19.220 1.00 0.00 C ATOM 693 C PRO A 46 -4.718 -7.092 17.930 1.00 0.00 C ATOM 694 O PRO A 46 -4.798 -7.721 16.874 1.00 0.00 O ATOM 695 CB PRO A 46 -2.833 -8.240 19.125 1.00 0.00 C ATOM 696 CG PRO A 46 -2.908 -9.661 18.685 1.00 0.00 C ATOM 697 CD PRO A 46 -4.164 -10.218 19.298 1.00 0.00 C ATOM 0 HA PRO A 46 -4.473 -7.051 20.007 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.274 -7.634 18.412 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.327 -8.150 20.086 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.940 -9.732 17.598 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.032 -10.219 19.015 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.626 -10.968 18.656 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.965 -10.697 20.257 1.00 0.00 H new ATOM 705 N VAL A 47 -4.992 -5.795 18.021 1.00 0.00 N ATOM 706 CA VAL A 47 -5.409 -5.018 16.860 1.00 0.00 C ATOM 707 C VAL A 47 -4.212 -4.369 16.174 1.00 0.00 C ATOM 708 O VAL A 47 -3.514 -3.546 16.766 1.00 0.00 O ATOM 709 CB VAL A 47 -6.418 -3.922 17.252 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.824 -3.109 16.032 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.637 -4.536 17.923 1.00 0.00 C ATOM 0 H VAL A 47 -4.933 -5.260 18.887 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.887 -5.712 16.169 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.940 -3.250 17.964 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.537 -2.340 16.328 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.942 -2.638 15.598 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.285 -3.766 15.294 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.339 -3.747 18.193 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.119 -5.231 17.236 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.327 -5.070 18.822 1.00 0.00 H new ATOM 721 N PHE A 48 -3.980 -4.746 14.921 1.00 0.00 N ATOM 722 CA PHE A 48 -2.867 -4.202 14.152 1.00 0.00 C ATOM 723 C PHE A 48 -3.348 -3.120 13.189 1.00 0.00 C ATOM 724 O PHE A 48 -3.941 -3.416 12.151 1.00 0.00 O ATOM 725 CB PHE A 48 -2.163 -5.316 13.375 1.00 0.00 C ATOM 726 CG PHE A 48 -1.308 -6.200 14.237 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.860 -7.282 14.904 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.047 -5.951 14.381 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.076 -8.097 15.699 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.836 -6.762 15.174 1.00 0.00 C ATOM 731 CZ PHE A 48 0.273 -7.838 15.833 1.00 0.00 C ATOM 0 H PHE A 48 -4.548 -5.426 14.416 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.161 -3.754 14.851 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.913 -5.927 12.873 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.542 -4.870 12.598 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.915 -7.491 14.802 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.492 -5.112 13.867 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.519 -8.936 16.215 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.891 -6.555 15.279 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.887 -8.475 16.452 1.00 0.00 H new ATOM 741 N THR A 49 -3.089 -1.865 13.541 1.00 0.00 N ATOM 742 CA THR A 49 -3.496 -0.739 12.711 1.00 0.00 C ATOM 743 C THR A 49 -2.451 -0.436 11.643 1.00 0.00 C ATOM 744 O THR A 49 -1.349 0.016 11.951 1.00 0.00 O ATOM 745 CB THR A 49 -3.731 0.527 13.557 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.596 0.228 14.657 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.340 1.637 12.713 1.00 0.00 C ATOM 0 H THR A 49 -2.599 -1.603 14.396 1.00 0.00 H new ATOM 0 HA THR A 49 -4.431 -1.024 12.229 1.00 0.00 H new ATOM 0 HB THR A 49 -2.767 0.868 13.936 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.739 1.038 15.190 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.497 2.520 13.332 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.665 1.883 11.894 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.295 1.304 12.308 1.00 0.00 H new ATOM 755 N MET A 50 -2.805 -0.689 10.387 1.00 0.00 N ATOM 756 CA MET A 50 -1.897 -0.441 9.273 1.00 0.00 C ATOM 757 C MET A 50 -2.239 0.870 8.574 1.00 0.00 C ATOM 758 O MET A 50 -3.285 1.466 8.829 1.00 0.00 O ATOM 759 CB MET A 50 -1.956 -1.597 8.273 1.00 0.00 C ATOM 760 CG MET A 50 -0.954 -2.703 8.563 1.00 0.00 C ATOM 761 SD MET A 50 0.724 -2.268 8.068 1.00 0.00 S ATOM 762 CE MET A 50 1.682 -3.326 9.150 1.00 0.00 C ATOM 0 H MET A 50 -3.713 -1.065 10.115 1.00 0.00 H new ATOM 0 HA MET A 50 -0.885 -0.366 9.671 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.961 -2.019 8.276 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.776 -1.209 7.270 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.967 -2.929 9.629 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.259 -3.610 8.041 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.424 -2.729 9.679 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.019 -3.804 9.872 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.186 -4.090 8.559 1.00 0.00 H new ATOM 772 N SER A 51 -1.351 1.314 7.690 1.00 0.00 N ATOM 773 CA SER A 51 -1.557 2.557 6.957 1.00 0.00 C ATOM 774 C SER A 51 -0.628 2.637 5.750 1.00 0.00 C ATOM 775 O SER A 51 0.529 2.221 5.814 1.00 0.00 O ATOM 776 CB SER A 51 -1.325 3.760 7.874 1.00 0.00 C ATOM 777 OG SER A 51 0.033 3.843 8.271 1.00 0.00 O ATOM 0 H SER A 51 -0.482 0.831 7.464 1.00 0.00 H new ATOM 0 HA SER A 51 -2.587 2.573 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.613 4.676 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.961 3.677 8.756 1.00 0.00 H new ATOM 0 HG SER A 51 0.321 2.980 8.634 1.00 0.00 H new ATOM 783 N VAL A 52 -1.143 3.174 4.648 1.00 0.00 N ATOM 784 CA VAL A 52 -0.361 3.310 3.426 1.00 0.00 C ATOM 785 C VAL A 52 -0.547 4.690 2.805 1.00 0.00 C ATOM 786 O VAL A 52 -1.588 5.324 2.977 1.00 0.00 O ATOM 787 CB VAL A 52 -0.747 2.237 2.390 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.140 2.501 1.841 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.278 2.188 1.267 1.00 0.00 C ATOM 0 H VAL A 52 -2.099 3.522 4.577 1.00 0.00 H new ATOM 0 HA VAL A 52 0.685 3.177 3.703 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.756 1.266 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.395 1.733 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.863 2.480 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.163 3.479 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.010 1.425 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.322 3.158 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.258 1.946 1.679 1.00 0.00 H new ATOM 799 N ASP A 53 0.469 5.149 2.082 1.00 0.00 N ATOM 800 CA ASP A 53 0.417 6.454 1.433 1.00 0.00 C ATOM 801 C ASP A 53 0.244 6.304 -0.076 1.00 0.00 C ATOM 802 O ASP A 53 1.208 6.054 -0.800 1.00 0.00 O ATOM 803 CB ASP A 53 1.688 7.248 1.736 1.00 0.00 C ATOM 804 CG ASP A 53 2.945 6.518 1.305 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.490 5.745 2.120 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.383 6.720 0.153 1.00 0.00 O ATOM 0 H ASP A 53 1.338 4.637 1.931 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.443 6.995 1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.640 8.212 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.739 7.452 2.806 1.00 0.00 H new ATOM 811 N VAL A 54 -0.991 6.458 -0.543 1.00 0.00 N ATOM 812 CA VAL A 54 -1.291 6.340 -1.965 1.00 0.00 C ATOM 813 C VAL A 54 -2.026 7.574 -2.475 1.00 0.00 C ATOM 814 O VAL A 54 -2.883 8.128 -1.787 1.00 0.00 O ATOM 815 CB VAL A 54 -2.142 5.090 -2.257 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.460 4.996 -3.742 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.429 3.836 -1.776 1.00 0.00 C ATOM 0 H VAL A 54 -1.800 6.665 0.043 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.337 6.249 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.082 5.177 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.062 4.107 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.015 5.882 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.532 4.932 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.045 2.962 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.473 3.741 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.258 3.904 -0.702 1.00 0.00 H new ATOM 827 N ASP A 55 -1.686 7.999 -3.687 1.00 0.00 N ATOM 828 CA ASP A 55 -2.316 9.167 -4.292 1.00 0.00 C ATOM 829 C ASP A 55 -2.432 10.305 -3.283 1.00 0.00 C ATOM 830 O ASP A 55 -3.466 10.966 -3.194 1.00 0.00 O ATOM 831 CB ASP A 55 -3.700 8.805 -4.833 1.00 0.00 C ATOM 832 CG ASP A 55 -4.583 8.164 -3.780 1.00 0.00 C ATOM 833 OD1 ASP A 55 -4.958 8.862 -2.815 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.899 6.964 -3.922 1.00 0.00 O ATOM 0 H ASP A 55 -0.978 7.552 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.688 9.500 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.186 9.704 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.591 8.123 -5.676 1.00 0.00 H new ATOM 839 N GLY A 56 -1.363 10.528 -2.524 1.00 0.00 N ATOM 840 CA GLY A 56 -1.366 11.586 -1.531 1.00 0.00 C ATOM 841 C GLY A 56 -2.484 11.428 -0.520 1.00 0.00 C ATOM 842 O GLY A 56 -3.019 12.416 -0.014 1.00 0.00 O ATOM 0 H GLY A 56 -0.495 9.995 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.408 11.595 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.466 12.549 -2.031 1.00 0.00 H new ATOM 846 N THR A 57 -2.842 10.182 -0.224 1.00 0.00 N ATOM 847 CA THR A 57 -3.905 9.899 0.731 1.00 0.00 C ATOM 848 C THR A 57 -3.488 8.808 1.711 1.00 0.00 C ATOM 849 O THR A 57 -3.366 7.640 1.342 1.00 0.00 O ATOM 850 CB THR A 57 -5.200 9.464 0.017 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.630 10.490 -0.884 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.301 9.172 1.025 1.00 0.00 C ATOM 0 H THR A 57 -2.411 9.353 -0.633 1.00 0.00 H new ATOM 0 HA THR A 57 -4.093 10.823 1.278 1.00 0.00 H new ATOM 0 HB THR A 57 -4.992 8.553 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.520 10.181 -1.808 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.205 8.867 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.981 8.371 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.507 10.069 1.609 1.00 0.00 H new ATOM 860 N THR A 58 -3.270 9.196 2.964 1.00 0.00 N ATOM 861 CA THR A 58 -2.866 8.252 3.997 1.00 0.00 C ATOM 862 C THR A 58 -4.054 7.432 4.488 1.00 0.00 C ATOM 863 O THR A 58 -4.930 7.946 5.184 1.00 0.00 O ATOM 864 CB THR A 58 -2.224 8.973 5.197 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.138 9.793 4.752 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.721 7.971 6.226 1.00 0.00 C ATOM 0 H THR A 58 -3.367 10.159 3.287 1.00 0.00 H new ATOM 0 HA THR A 58 -2.130 7.586 3.546 1.00 0.00 H new ATOM 0 HB THR A 58 -2.984 9.599 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.736 10.249 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.272 8.504 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.555 7.368 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.975 7.322 5.767 1.00 0.00 H new ATOM 874 N TYR A 59 -4.077 6.155 4.122 1.00 0.00 N ATOM 875 CA TYR A 59 -5.159 5.264 4.524 1.00 0.00 C ATOM 876 C TYR A 59 -4.832 4.569 5.842 1.00 0.00 C ATOM 877 O TYR A 59 -3.666 4.445 6.217 1.00 0.00 O ATOM 878 CB TYR A 59 -5.420 4.222 3.436 1.00 0.00 C ATOM 879 CG TYR A 59 -5.947 4.810 2.146 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.083 5.353 1.203 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.309 4.824 1.871 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.560 5.892 0.024 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.795 5.360 0.695 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.916 5.893 -0.225 1.00 0.00 C ATOM 885 OH TYR A 59 -7.395 6.429 -1.399 1.00 0.00 O ATOM 0 H TYR A 59 -3.359 5.714 3.548 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.057 5.865 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.494 3.686 3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.135 3.490 3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.020 5.354 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.000 4.408 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.875 6.310 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.857 5.362 0.497 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.724 6.322 -2.105 1.00 0.00 H new ATOM 895 N GLU A 60 -5.869 4.118 6.539 1.00 0.00 N ATOM 896 CA GLU A 60 -5.692 3.435 7.816 1.00 0.00 C ATOM 897 C GLU A 60 -6.751 2.353 8.005 1.00 0.00 C ATOM 898 O GLU A 60 -7.950 2.623 7.937 1.00 0.00 O ATOM 899 CB GLU A 60 -5.761 4.438 8.969 1.00 0.00 C ATOM 900 CG GLU A 60 -4.656 5.481 8.936 1.00 0.00 C ATOM 901 CD GLU A 60 -4.875 6.595 9.941 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.017 6.289 11.143 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.904 7.772 9.525 1.00 0.00 O ATOM 0 H GLU A 60 -6.840 4.213 6.242 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.710 2.962 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.727 4.943 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.710 3.897 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.700 4.998 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.594 5.907 7.935 1.00 0.00 H new ATOM 910 N ALA A 61 -6.298 1.126 8.242 1.00 0.00 N ATOM 911 CA ALA A 61 -7.205 0.002 8.442 1.00 0.00 C ATOM 912 C ALA A 61 -6.637 -0.988 9.453 1.00 0.00 C ATOM 913 O ALA A 61 -5.512 -1.465 9.304 1.00 0.00 O ATOM 914 CB ALA A 61 -7.484 -0.694 7.118 1.00 0.00 C ATOM 0 H ALA A 61 -5.309 0.885 8.300 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.143 0.390 8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.162 -1.531 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.941 0.012 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.549 -1.063 6.697 1.00 0.00 H new ATOM 920 N SER A 62 -7.422 -1.292 10.482 1.00 0.00 N ATOM 921 CA SER A 62 -6.994 -2.223 11.520 1.00 0.00 C ATOM 922 C SER A 62 -7.646 -3.589 11.327 1.00 0.00 C ATOM 923 O SER A 62 -8.778 -3.688 10.856 1.00 0.00 O ATOM 924 CB SER A 62 -7.342 -1.670 12.904 1.00 0.00 C ATOM 925 OG SER A 62 -6.698 -0.429 13.134 1.00 0.00 O ATOM 0 H SER A 62 -8.357 -0.908 10.619 1.00 0.00 H new ATOM 0 HA SER A 62 -5.913 -2.342 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.421 -1.544 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.044 -2.385 13.670 1.00 0.00 H new ATOM 0 HG SER A 62 -6.027 -0.535 13.840 1.00 0.00 H new ATOM 931 N GLY A 63 -6.921 -4.641 11.696 1.00 0.00 N ATOM 932 CA GLY A 63 -7.444 -5.987 11.556 1.00 0.00 C ATOM 933 C GLY A 63 -7.010 -6.898 12.687 1.00 0.00 C ATOM 934 O GLY A 63 -6.255 -6.503 13.576 1.00 0.00 O ATOM 0 H GLY A 63 -5.981 -4.585 12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.533 -5.949 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.110 -6.406 10.607 1.00 0.00 H new ATOM 938 N PRO A 64 -7.495 -8.148 12.664 1.00 0.00 N ATOM 939 CA PRO A 64 -7.167 -9.143 13.690 1.00 0.00 C ATOM 940 C PRO A 64 -5.715 -9.600 13.611 1.00 0.00 C ATOM 941 O PRO A 64 -5.204 -10.241 14.530 1.00 0.00 O ATOM 942 CB PRO A 64 -8.111 -10.305 13.372 1.00 0.00 C ATOM 943 CG PRO A 64 -8.409 -10.164 11.919 1.00 0.00 C ATOM 944 CD PRO A 64 -8.400 -8.688 11.636 1.00 0.00 C ATOM 0 HA PRO A 64 -7.285 -8.743 14.697 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.644 -11.266 13.589 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.021 -10.251 13.970 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.663 -10.682 11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.377 -10.602 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.038 -8.474 10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.399 -8.258 11.714 1.00 0.00 H new ATOM 952 N SER A 65 -5.053 -9.266 12.507 1.00 0.00 N ATOM 953 CA SER A 65 -3.660 -9.646 12.307 1.00 0.00 C ATOM 954 C SER A 65 -2.984 -8.721 11.299 1.00 0.00 C ATOM 955 O SER A 65 -3.651 -8.003 10.554 1.00 0.00 O ATOM 956 CB SER A 65 -3.567 -11.096 11.827 1.00 0.00 C ATOM 957 OG SER A 65 -3.985 -11.995 12.840 1.00 0.00 O ATOM 0 H SER A 65 -5.459 -8.733 11.738 1.00 0.00 H new ATOM 0 HA SER A 65 -3.144 -9.554 13.263 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.186 -11.229 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.541 -11.321 11.537 1.00 0.00 H new ATOM 0 HG SER A 65 -4.338 -11.489 13.601 1.00 0.00 H new ATOM 963 N LYS A 66 -1.656 -8.744 11.282 1.00 0.00 N ATOM 964 CA LYS A 66 -0.887 -7.909 10.366 1.00 0.00 C ATOM 965 C LYS A 66 -1.257 -8.209 8.917 1.00 0.00 C ATOM 966 O LYS A 66 -1.375 -7.301 8.095 1.00 0.00 O ATOM 967 CB LYS A 66 0.612 -8.131 10.578 1.00 0.00 C ATOM 968 CG LYS A 66 1.467 -6.948 10.158 1.00 0.00 C ATOM 969 CD LYS A 66 1.592 -5.926 11.276 1.00 0.00 C ATOM 970 CE LYS A 66 2.517 -6.417 12.379 1.00 0.00 C ATOM 971 NZ LYS A 66 3.947 -6.137 12.069 1.00 0.00 N ATOM 0 H LYS A 66 -1.089 -9.332 11.893 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.126 -6.866 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.794 -8.344 11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.924 -9.012 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.459 -7.298 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.029 -6.475 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.972 -4.988 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.606 -5.718 11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.248 -5.936 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.379 -7.489 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.545 -6.487 12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.211 -6.617 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.084 -5.112 11.961 1.00 0.00 H new ATOM 985 N LYS A 67 -1.440 -9.489 8.611 1.00 0.00 N ATOM 986 CA LYS A 67 -1.799 -9.910 7.262 1.00 0.00 C ATOM 987 C LYS A 67 -3.109 -9.264 6.821 1.00 0.00 C ATOM 988 O LYS A 67 -3.192 -8.679 5.740 1.00 0.00 O ATOM 989 CB LYS A 67 -1.922 -11.434 7.196 1.00 0.00 C ATOM 990 CG LYS A 67 -2.938 -12.004 8.170 1.00 0.00 C ATOM 991 CD LYS A 67 -2.905 -13.523 8.183 1.00 0.00 C ATOM 992 CE LYS A 67 -3.729 -14.109 7.047 1.00 0.00 C ATOM 993 NZ LYS A 67 -3.480 -15.567 6.875 1.00 0.00 N ATOM 0 H LYS A 67 -1.345 -10.253 9.280 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.008 -9.586 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.200 -11.724 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.947 -11.878 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.735 -11.626 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.937 -11.663 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.874 -13.866 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.287 -13.888 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.788 -13.942 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.491 -13.588 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.060 -15.928 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.474 -15.725 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.731 -16.068 7.751 1.00 0.00 H new ATOM 1007 N THR A 68 -4.130 -9.373 7.665 1.00 0.00 N ATOM 1008 CA THR A 68 -5.436 -8.799 7.363 1.00 0.00 C ATOM 1009 C THR A 68 -5.372 -7.277 7.325 1.00 0.00 C ATOM 1010 O THR A 68 -5.863 -6.649 6.387 1.00 0.00 O ATOM 1011 CB THR A 68 -6.492 -9.232 8.397 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.495 -10.658 8.526 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.877 -8.752 7.989 1.00 0.00 C ATOM 0 H THR A 68 -4.078 -9.853 8.563 1.00 0.00 H new ATOM 0 HA THR A 68 -5.726 -9.172 6.381 1.00 0.00 H new ATOM 0 HB THR A 68 -6.236 -8.781 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.168 -10.925 9.186 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.606 -9.070 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.879 -7.664 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.139 -9.178 7.020 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.763 -6.689 8.349 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.633 -5.239 8.431 1.00 0.00 C ATOM 1023 C ALA A 69 -4.239 -4.647 7.082 1.00 0.00 C ATOM 1024 O ALA A 69 -4.978 -3.853 6.501 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.614 -4.860 9.495 1.00 0.00 C ATOM 0 H ALA A 69 -4.352 -7.194 9.134 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.603 -4.826 8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.527 -3.775 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.938 -5.243 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.645 -5.290 9.241 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.068 -5.036 6.590 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.574 -4.545 5.309 1.00 0.00 C ATOM 1033 C LYS A 70 -3.630 -4.706 4.221 1.00 0.00 C ATOM 1034 O LYS A 70 -3.838 -3.806 3.406 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.298 -5.290 4.911 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.026 -4.631 5.417 1.00 0.00 C ATOM 1037 CD LYS A 70 1.121 -5.625 5.501 1.00 0.00 C ATOM 1038 CE LYS A 70 1.680 -5.950 4.125 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.116 -6.336 4.186 1.00 0.00 N ATOM 0 H LYS A 70 -2.443 -5.691 7.060 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.348 -3.484 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.347 -6.309 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.253 -5.361 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.249 -3.811 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.206 -4.198 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.913 -5.216 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.775 -6.541 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.104 -6.763 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.564 -5.085 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.459 -6.550 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.670 -5.551 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.224 -7.177 4.788 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.295 -5.856 4.213 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.331 -6.134 3.225 1.00 0.00 C ATOM 1055 C LEU A 71 -6.461 -5.114 3.319 1.00 0.00 C ATOM 1056 O LEU A 71 -6.856 -4.516 2.318 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.886 -7.546 3.423 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.041 -7.948 2.505 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.512 -8.447 1.170 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.905 -9.010 3.169 1.00 0.00 C ATOM 0 H LEU A 71 -4.135 -6.611 4.880 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.882 -6.062 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.072 -8.258 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.219 -7.642 4.456 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.658 -7.068 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.348 -8.729 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.936 -7.657 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.872 -9.314 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.722 -9.284 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.299 -9.891 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.314 -8.617 4.100 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.976 -4.918 4.529 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.058 -3.967 4.754 1.00 0.00 C ATOM 1074 C HIS A 72 -7.744 -2.622 4.106 1.00 0.00 C ATOM 1075 O HIS A 72 -8.528 -2.106 3.309 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.298 -3.780 6.253 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.090 -4.889 6.875 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.967 -4.692 7.921 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.134 -6.212 6.592 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.515 -5.847 8.255 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.027 -6.785 7.464 1.00 0.00 N ATOM 0 H HIS A 72 -6.661 -5.405 5.368 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.962 -4.369 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.336 -3.703 6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.820 -2.837 6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -10.162 -3.796 8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.572 -6.722 5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.239 -5.998 9.042 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.592 -2.057 4.454 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.173 -0.773 3.906 1.00 0.00 C ATOM 1092 C VAL A 73 -6.340 -0.741 2.391 1.00 0.00 C ATOM 1093 O VAL A 73 -7.052 0.106 1.853 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.705 -0.464 4.257 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.240 0.797 3.545 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.535 -0.330 5.763 1.00 0.00 C ATOM 0 H VAL A 73 -5.932 -2.469 5.114 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.813 -0.014 4.355 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.085 -1.294 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.201 0.999 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.324 0.658 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.861 1.638 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.492 -0.112 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.165 0.481 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.826 -1.263 6.246 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.677 -1.669 1.709 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.754 -1.749 0.256 1.00 0.00 C ATOM 1108 C ALA A 74 -7.196 -1.632 -0.225 1.00 0.00 C ATOM 1109 O ALA A 74 -7.494 -0.873 -1.148 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.136 -3.051 -0.234 1.00 0.00 C ATOM 0 H ALA A 74 -5.081 -2.376 2.140 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.191 -0.913 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.200 -3.098 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.090 -3.094 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.675 -3.895 0.198 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.089 -2.389 0.405 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.501 -2.370 0.041 1.00 0.00 C ATOM 1118 C VAL A 75 -10.027 -0.942 -0.042 1.00 0.00 C ATOM 1119 O VAL A 75 -10.702 -0.571 -1.003 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.352 -3.161 1.052 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.820 -3.123 0.660 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.856 -4.596 1.158 1.00 0.00 C ATOM 0 H VAL A 75 -7.859 -3.023 1.170 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.582 -2.842 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.251 -2.693 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.405 -3.687 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.165 -2.089 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.944 -3.565 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.469 -5.141 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.926 -5.078 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.818 -4.599 1.491 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.715 -0.142 0.973 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.154 1.248 1.015 1.00 0.00 C ATOM 1134 C LYS A 76 -9.658 2.013 -0.207 1.00 0.00 C ATOM 1135 O LYS A 76 -10.445 2.616 -0.937 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.651 1.924 2.293 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.519 1.649 3.508 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.877 2.172 4.782 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.924 2.582 5.807 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.441 3.955 5.552 1.00 0.00 N ATOM 0 H LYS A 76 -9.160 -0.433 1.778 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.244 1.259 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.636 1.585 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.601 3.000 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.494 2.116 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.689 0.576 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.232 1.403 5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.243 3.027 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.751 1.872 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.491 2.537 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.152 4.197 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.656 4.636 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.877 3.992 4.608 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.347 1.984 -0.426 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.746 2.673 -1.561 1.00 0.00 C ATOM 1156 C VAL A 77 -8.513 2.386 -2.847 1.00 0.00 C ATOM 1157 O VAL A 77 -8.864 3.302 -3.592 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.274 2.262 -1.752 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.641 3.052 -2.887 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.495 2.454 -0.459 1.00 0.00 C ATOM 0 H VAL A 77 -7.681 1.490 0.168 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.792 3.740 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.242 1.205 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.601 2.748 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.184 2.859 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.683 4.117 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.457 2.159 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.534 3.502 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.935 1.839 0.326 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.771 1.108 -3.103 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.498 0.698 -4.299 1.00 0.00 C ATOM 1172 C LEU A 78 -10.882 1.339 -4.342 1.00 0.00 C ATOM 1173 O LEU A 78 -11.262 1.951 -5.339 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.627 -0.825 -4.345 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.321 -1.613 -4.232 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.602 -3.107 -4.184 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.396 -1.280 -5.393 1.00 0.00 C ATOM 0 H LEU A 78 -8.487 0.338 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.935 1.035 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.288 -1.138 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.114 -1.100 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.825 -1.327 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.661 -3.652 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.227 -3.332 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.120 -3.409 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.472 -1.849 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.884 -1.537 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.168 -0.214 -5.383 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.628 1.194 -3.252 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.969 1.761 -3.165 1.00 0.00 C ATOM 1191 C GLN A 79 -12.942 3.265 -3.411 1.00 0.00 C ATOM 1192 O GLN A 79 -13.801 3.806 -4.106 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.582 1.467 -1.794 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.780 -0.015 -1.521 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.374 -0.282 -0.152 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -13.654 -0.384 0.841 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.696 -0.396 -0.092 1.00 0.00 N ATOM 0 H GLN A 79 -11.328 0.690 -2.418 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.583 1.297 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.940 1.888 -1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.544 1.973 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.433 -0.437 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.821 -0.527 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.255 -0.304 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.152 -0.575 0.802 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.949 3.936 -2.835 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.809 5.378 -2.994 1.00 0.00 C ATOM 1208 C ALA A 80 -11.653 5.757 -4.463 1.00 0.00 C ATOM 1209 O ALA A 80 -12.287 6.696 -4.942 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.623 5.885 -2.187 1.00 0.00 C ATOM 0 H ALA A 80 -11.230 3.504 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.718 5.849 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.530 6.963 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.776 5.657 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.712 5.399 -2.535 1.00 0.00 H new ATOM 1216 N MET A 81 -10.804 5.019 -5.172 1.00 0.00 N ATOM 1217 CA MET A 81 -10.565 5.278 -6.587 1.00 0.00 C ATOM 1218 C MET A 81 -11.780 4.890 -7.423 1.00 0.00 C ATOM 1219 O MET A 81 -12.072 5.518 -8.440 1.00 0.00 O ATOM 1220 CB MET A 81 -9.334 4.508 -7.067 1.00 0.00 C ATOM 1221 CG MET A 81 -8.069 4.839 -6.293 1.00 0.00 C ATOM 1222 SD MET A 81 -6.577 4.663 -7.290 1.00 0.00 S ATOM 1223 CE MET A 81 -5.948 3.099 -6.684 1.00 0.00 C ATOM 0 H MET A 81 -10.271 4.238 -4.790 1.00 0.00 H new ATOM 0 HA MET A 81 -10.387 6.346 -6.711 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.530 3.439 -6.986 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.170 4.723 -8.123 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.133 5.861 -5.920 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.999 4.186 -5.423 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.921 3.228 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.567 2.754 -5.855 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.973 2.362 -7.486 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.486 3.851 -6.987 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.662 3.398 -7.708 1.00 0.00 C ATOM 1235 C GLY A 82 -13.452 2.050 -8.369 1.00 0.00 C ATOM 1236 O GLY A 82 -13.918 1.819 -9.485 1.00 0.00 O ATOM 0 H GLY A 82 -12.265 3.315 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.505 3.334 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.925 4.135 -8.467 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.748 1.159 -7.680 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.475 -0.172 -8.209 1.00 0.00 C ATOM 1242 C TYR A 83 -13.317 -1.226 -7.496 1.00 0.00 C ATOM 1243 O TYR A 83 -13.762 -1.039 -6.363 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.989 -0.506 -8.063 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.122 0.105 -9.140 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.089 -0.433 -10.421 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.335 1.219 -8.877 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.298 0.121 -11.408 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.542 1.781 -9.858 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.526 1.228 -11.122 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.737 1.784 -12.102 1.00 0.00 O ATOM 0 H TYR A 83 -12.356 1.334 -6.755 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.740 -0.176 -9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.642 -0.160 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.865 -1.589 -8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.692 -1.299 -10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.343 1.653 -7.888 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.284 -0.310 -12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.938 2.648 -9.637 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.258 2.557 -11.737 1.00 0.00 H new