USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 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 59 ASN : amide:sc= -1.29 K(o=-1.4,f=-6.5!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.1 K(o=-1.4,f=-4) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 SER OG : rot -107:sc= 0.141 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -1.51 K(o=-1.4,f=-0.87) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -146:sc= 0.499 (180deg=-0.119) USER MOD Set 3.2: A 40 TYR OH : rot -150:sc= 0.989 USER MOD Set 4.1: A 25 THR OG1 : rot -26:sc= 1.63 USER MOD Set 4.2: A 50 LYS NZ :NH3+ 151:sc= 0.777 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 6 THR OG1 : rot 140:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.8!) USER MOD Single : A 16 SER OG : rot 32:sc= -0.434 USER MOD Single : A 22 ASN : amide:sc= 0.957 K(o=0.96,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.815 X(o=-0.81,f=-0.67) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.14) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 27:sc= -0.839 USER MOD Single : A 56 GLN : amide:sc= 0.635 K(o=0.64,f=-4.3!) USER MOD Single : A 57 TYR OH : rot -26:sc= -0.554 USER MOD Single : A 74 MET CE :methyl -174:sc= -0.543 (180deg=-0.587) USER MOD Single : A 78 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.13) USER MOD Single : A 83 ASN : amide:sc= 0.455 K(o=0.45,f=-0.051) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0153 (180deg=-0.298) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.852 10.239 0.202 1.00 0.00 N ATOM 25 CA ASN A 4 9.859 9.368 1.370 1.00 0.00 C ATOM 26 C ASN A 4 8.620 9.593 2.237 1.00 0.00 C ATOM 27 O ASN A 4 8.478 8.956 3.280 1.00 0.00 O ATOM 28 CB ASN A 4 11.154 9.590 2.156 1.00 0.00 C ATOM 29 CG ASN A 4 11.303 11.034 2.619 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.916 11.851 1.938 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.747 11.362 3.782 1.00 0.00 N ATOM 0 HA ASN A 4 9.823 8.328 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.170 8.929 3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.007 9.320 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.823 12.317 4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.244 10.659 4.323 1.00 0.00 H new ATOM 38 N VAL A 5 7.724 10.490 1.815 1.00 0.00 N ATOM 39 CA VAL A 5 6.531 10.832 2.574 1.00 0.00 C ATOM 40 C VAL A 5 5.332 10.019 2.095 1.00 0.00 C ATOM 41 O VAL A 5 5.089 9.912 0.897 1.00 0.00 O ATOM 42 CB VAL A 5 6.281 12.339 2.471 1.00 0.00 C ATOM 43 CG1 VAL A 5 5.019 12.749 3.228 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.465 13.099 3.074 1.00 0.00 C ATOM 0 H VAL A 5 7.811 10.997 0.934 1.00 0.00 H new ATOM 0 HA VAL A 5 6.681 10.580 3.624 1.00 0.00 H new ATOM 0 HB VAL A 5 6.159 12.581 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.872 13.825 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.158 12.227 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.125 12.488 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.285 14.171 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.579 12.822 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.375 12.845 2.530 1.00 0.00 H new ATOM 54 N THR A 6 4.587 9.450 3.048 1.00 0.00 N ATOM 55 CA THR A 6 3.403 8.642 2.770 1.00 0.00 C ATOM 56 C THR A 6 2.335 8.790 3.856 1.00 0.00 C ATOM 57 O THR A 6 1.376 8.022 3.857 1.00 0.00 O ATOM 58 CB THR A 6 3.768 7.159 2.624 1.00 0.00 C ATOM 59 OG1 THR A 6 4.425 6.702 3.785 1.00 0.00 O ATOM 60 CG2 THR A 6 4.687 6.906 1.435 1.00 0.00 C ATOM 0 H THR A 6 4.794 9.540 4.043 1.00 0.00 H new ATOM 0 HA THR A 6 2.993 9.012 1.830 1.00 0.00 H new ATOM 0 HB THR A 6 2.832 6.622 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.111 5.800 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.917 5.842 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.191 7.224 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.611 7.470 1.563 1.00 0.00 H new ATOM 68 N ASN A 7 2.470 9.750 4.777 1.00 0.00 N ATOM 69 CA ASN A 7 1.494 9.921 5.844 1.00 0.00 C ATOM 70 C ASN A 7 0.855 11.311 5.812 1.00 0.00 C ATOM 71 O ASN A 7 1.492 12.305 6.157 1.00 0.00 O ATOM 72 CB ASN A 7 2.144 9.630 7.199 1.00 0.00 C ATOM 73 CG ASN A 7 1.126 9.625 8.333 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.051 9.920 8.140 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.573 9.283 9.537 1.00 0.00 N ATOM 0 H ASN A 7 3.244 10.414 4.800 1.00 0.00 H new ATOM 0 HA ASN A 7 0.687 9.205 5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.647 8.664 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.909 10.379 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.933 9.260 10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.556 9.043 9.667 1.00 0.00 H new ATOM 210 N SER A 16 -5.657 7.963 -2.003 1.00 0.00 N ATOM 211 CA SER A 16 -4.729 7.721 -3.099 1.00 0.00 C ATOM 212 C SER A 16 -3.503 6.947 -2.608 1.00 0.00 C ATOM 213 O SER A 16 -2.489 6.887 -3.300 1.00 0.00 O ATOM 214 CB SER A 16 -4.332 9.053 -3.733 1.00 0.00 C ATOM 215 OG SER A 16 -5.489 9.795 -4.059 1.00 0.00 O ATOM 0 HA SER A 16 -5.217 7.108 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.707 9.621 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.738 8.876 -4.630 1.00 0.00 H new ATOM 0 HG SER A 16 -6.196 9.600 -3.410 1.00 0.00 H new ATOM 221 N ARG A 17 -3.598 6.360 -1.412 1.00 0.00 N ATOM 222 CA ARG A 17 -2.509 5.657 -0.743 1.00 0.00 C ATOM 223 C ARG A 17 -2.827 4.171 -0.645 1.00 0.00 C ATOM 224 O ARG A 17 -3.994 3.786 -0.682 1.00 0.00 O ATOM 225 CB ARG A 17 -2.357 6.264 0.647 1.00 0.00 C ATOM 226 CG ARG A 17 -1.104 5.776 1.377 1.00 0.00 C ATOM 227 CD ARG A 17 -1.034 6.471 2.733 1.00 0.00 C ATOM 228 NE ARG A 17 -1.115 7.922 2.548 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.760 8.762 3.354 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.299 8.353 4.497 1.00 0.00 N ATOM 231 NH2 ARG A 17 -1.867 10.037 3.003 1.00 0.00 N ATOM 0 H ARG A 17 -4.462 6.363 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.581 5.761 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.322 7.350 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.237 6.020 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.138 4.694 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.213 5.999 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.850 6.130 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.104 6.210 3.239 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.640 8.320 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.224 7.375 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.788 9.017 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.458 10.361 2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.358 10.693 3.610 1.00 0.00 H new ATOM 245 N VAL A 18 -1.795 3.338 -0.515 1.00 0.00 N ATOM 246 CA VAL A 18 -1.972 1.903 -0.348 1.00 0.00 C ATOM 247 C VAL A 18 -1.153 1.404 0.832 1.00 0.00 C ATOM 248 O VAL A 18 0.018 1.752 0.978 1.00 0.00 O ATOM 249 CB VAL A 18 -1.601 1.168 -1.637 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.781 -0.338 -1.463 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.510 1.640 -2.767 1.00 0.00 C ATOM 0 H VAL A 18 -0.821 3.640 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.021 1.697 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.558 1.382 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.513 -0.846 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.138 -0.691 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.821 -0.554 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.248 1.118 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.548 1.427 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.385 2.713 -2.911 1.00 0.00 H new ATOM 261 N PHE A 19 -1.788 0.582 1.665 1.00 0.00 N ATOM 262 CA PHE A 19 -1.153 -0.078 2.791 1.00 0.00 C ATOM 263 C PHE A 19 -0.691 -1.465 2.355 1.00 0.00 C ATOM 264 O PHE A 19 -1.458 -2.211 1.748 1.00 0.00 O ATOM 265 CB PHE A 19 -2.163 -0.160 3.939 1.00 0.00 C ATOM 266 CG PHE A 19 -1.689 -0.934 5.147 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.443 -0.658 5.723 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.503 -1.935 5.694 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.010 -1.387 6.839 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.068 -2.666 6.807 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.820 -2.393 7.382 1.00 0.00 C ATOM 0 H PHE A 19 -2.778 0.355 1.569 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.281 0.480 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.419 0.852 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.078 -0.620 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.184 0.117 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.468 -2.143 5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.951 -1.173 7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.695 -3.441 7.222 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.484 -2.956 8.240 1.00 0.00 H new ATOM 281 N ILE A 20 0.561 -1.811 2.665 1.00 0.00 N ATOM 282 CA ILE A 20 1.143 -3.100 2.306 1.00 0.00 C ATOM 283 C ILE A 20 1.552 -3.805 3.590 1.00 0.00 C ATOM 284 O ILE A 20 2.705 -3.732 4.014 1.00 0.00 O ATOM 285 CB ILE A 20 2.333 -2.893 1.358 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.880 -2.185 0.076 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.998 -4.233 1.004 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.065 -1.571 -0.664 1.00 0.00 C ATOM 0 H ILE A 20 1.200 -1.200 3.174 1.00 0.00 H new ATOM 0 HA ILE A 20 0.421 -3.721 1.776 1.00 0.00 H new ATOM 0 HB ILE A 20 3.064 -2.269 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.371 -2.896 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.159 -1.406 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.837 -4.056 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.357 -4.713 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.271 -4.882 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.712 -1.076 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.558 -0.842 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.773 -2.356 -0.932 1.00 0.00 H new ATOM 300 N GLY A 21 0.593 -4.488 4.213 1.00 0.00 N ATOM 301 CA GLY A 21 0.833 -5.233 5.432 1.00 0.00 C ATOM 302 C GLY A 21 1.417 -6.608 5.129 1.00 0.00 C ATOM 303 O GLY A 21 1.490 -7.018 3.969 1.00 0.00 O ATOM 0 H GLY A 21 -0.370 -4.536 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.517 -4.677 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.101 -5.344 5.983 1.00 0.00 H new ATOM 307 N ASN A 22 1.831 -7.318 6.180 1.00 0.00 N ATOM 308 CA ASN A 22 2.420 -8.645 6.064 1.00 0.00 C ATOM 309 C ASN A 22 3.534 -8.668 5.011 1.00 0.00 C ATOM 310 O ASN A 22 3.553 -9.534 4.143 1.00 0.00 O ATOM 311 CB ASN A 22 1.326 -9.677 5.778 1.00 0.00 C ATOM 312 CG ASN A 22 1.837 -11.104 5.923 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.877 -11.353 6.526 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.103 -12.062 5.366 1.00 0.00 N ATOM 0 H ASN A 22 1.765 -6.982 7.141 1.00 0.00 H new ATOM 0 HA ASN A 22 2.888 -8.910 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.491 -9.520 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.943 -9.530 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.399 -13.036 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.243 -11.823 4.871 1.00 0.00 H new ATOM 321 N LEU A 23 4.466 -7.714 5.084 1.00 0.00 N ATOM 322 CA LEU A 23 5.584 -7.622 4.157 1.00 0.00 C ATOM 323 C LEU A 23 6.837 -8.240 4.779 1.00 0.00 C ATOM 324 O LEU A 23 7.045 -8.133 5.988 1.00 0.00 O ATOM 325 CB LEU A 23 5.771 -6.148 3.775 1.00 0.00 C ATOM 326 CG LEU A 23 6.877 -5.907 2.745 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.606 -6.641 1.433 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.972 -4.416 2.448 1.00 0.00 C ATOM 0 H LEU A 23 4.461 -6.982 5.794 1.00 0.00 H new ATOM 0 HA LEU A 23 5.386 -8.187 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.831 -5.764 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.996 -5.576 4.675 1.00 0.00 H new ATOM 0 HG LEU A 23 7.807 -6.286 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.416 -6.442 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.544 -7.713 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.664 -6.293 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.759 -4.241 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.020 -4.063 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.205 -3.876 3.366 1.00 0.00 H new ATOM 340 N ASN A 24 7.679 -8.888 3.966 1.00 0.00 N ATOM 341 CA ASN A 24 8.876 -9.547 4.471 1.00 0.00 C ATOM 342 C ASN A 24 9.917 -8.532 4.936 1.00 0.00 C ATOM 343 O ASN A 24 10.573 -8.738 5.953 1.00 0.00 O ATOM 344 CB ASN A 24 9.474 -10.429 3.372 1.00 0.00 C ATOM 345 CG ASN A 24 10.554 -11.344 3.935 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.410 -11.898 5.019 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.647 -11.509 3.199 1.00 0.00 N ATOM 0 H ASN A 24 7.549 -8.967 2.957 1.00 0.00 H new ATOM 0 HA ASN A 24 8.593 -10.158 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.687 -11.028 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.896 -9.802 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.399 -12.112 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.734 -11.033 2.301 1.00 0.00 H new ATOM 354 N THR A 25 10.059 -7.438 4.179 1.00 0.00 N ATOM 355 CA THR A 25 10.982 -6.326 4.407 1.00 0.00 C ATOM 356 C THR A 25 12.461 -6.711 4.512 1.00 0.00 C ATOM 357 O THR A 25 13.312 -5.836 4.670 1.00 0.00 O ATOM 358 CB THR A 25 10.541 -5.473 5.601 1.00 0.00 C ATOM 359 OG1 THR A 25 10.799 -6.133 6.821 1.00 0.00 O ATOM 360 CG2 THR A 25 9.052 -5.145 5.523 1.00 0.00 C ATOM 0 H THR A 25 9.497 -7.299 3.339 1.00 0.00 H new ATOM 0 HA THR A 25 10.921 -5.728 3.498 1.00 0.00 H new ATOM 0 HB THR A 25 11.117 -4.549 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.801 -7.102 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.767 -4.539 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.849 -4.592 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.475 -6.070 5.524 1.00 0.00 H new ATOM 368 N LEU A 26 12.785 -8.005 4.427 1.00 0.00 N ATOM 369 CA LEU A 26 14.161 -8.483 4.463 1.00 0.00 C ATOM 370 C LEU A 26 14.755 -8.571 3.056 1.00 0.00 C ATOM 371 O LEU A 26 15.974 -8.652 2.912 1.00 0.00 O ATOM 372 CB LEU A 26 14.199 -9.856 5.138 1.00 0.00 C ATOM 373 CG LEU A 26 14.521 -9.761 6.635 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.453 -8.985 7.402 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.611 -11.168 7.216 1.00 0.00 C ATOM 0 H LEU A 26 12.094 -8.749 4.331 1.00 0.00 H new ATOM 0 HA LEU A 26 14.762 -7.774 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.236 -10.350 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.946 -10.479 4.647 1.00 0.00 H new ATOM 0 HG LEU A 26 15.468 -9.231 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.722 -8.943 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.383 -7.973 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.491 -9.485 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.840 -11.108 8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.659 -11.680 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.399 -11.722 6.706 1.00 0.00 H new ATOM 387 N VAL A 27 13.902 -8.556 2.026 1.00 0.00 N ATOM 388 CA VAL A 27 14.341 -8.630 0.636 1.00 0.00 C ATOM 389 C VAL A 27 13.745 -7.481 -0.180 1.00 0.00 C ATOM 390 O VAL A 27 14.238 -7.176 -1.263 1.00 0.00 O ATOM 391 CB VAL A 27 13.952 -10.000 0.062 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.423 -10.170 -1.383 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.581 -11.118 0.889 1.00 0.00 C ATOM 0 H VAL A 27 12.890 -8.492 2.137 1.00 0.00 H new ATOM 0 HA VAL A 27 15.425 -8.526 0.584 1.00 0.00 H new ATOM 0 HB VAL A 27 12.864 -10.054 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.127 -11.153 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.970 -9.399 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.508 -10.079 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.297 -12.084 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.666 -11.019 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.230 -11.051 1.919 1.00 0.00 H new ATOM 403 N VAL A 28 12.684 -6.839 0.330 1.00 0.00 N ATOM 404 CA VAL A 28 12.061 -5.713 -0.352 1.00 0.00 C ATOM 405 C VAL A 28 12.217 -4.434 0.460 1.00 0.00 C ATOM 406 O VAL A 28 11.947 -4.426 1.660 1.00 0.00 O ATOM 407 CB VAL A 28 10.585 -6.014 -0.630 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.930 -4.861 -1.391 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.455 -7.279 -1.478 1.00 0.00 C ATOM 0 H VAL A 28 12.244 -7.087 1.216 1.00 0.00 H new ATOM 0 HA VAL A 28 12.565 -5.562 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 28 10.089 -6.150 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.882 -5.097 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.997 -3.949 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.443 -4.714 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.401 -7.482 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.975 -7.137 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.896 -8.121 -0.945 1.00 0.00 H new ATOM 419 N LYS A 29 12.657 -3.361 -0.206 1.00 0.00 N ATOM 420 CA LYS A 29 12.916 -2.067 0.415 1.00 0.00 C ATOM 421 C LYS A 29 12.092 -0.975 -0.253 1.00 0.00 C ATOM 422 O LYS A 29 11.366 -1.216 -1.214 1.00 0.00 O ATOM 423 CB LYS A 29 14.407 -1.718 0.297 1.00 0.00 C ATOM 424 CG LYS A 29 15.346 -2.803 0.828 1.00 0.00 C ATOM 425 CD LYS A 29 15.018 -3.181 2.269 1.00 0.00 C ATOM 426 CE LYS A 29 16.066 -4.160 2.796 1.00 0.00 C ATOM 427 NZ LYS A 29 15.787 -4.530 4.197 1.00 0.00 N ATOM 0 H LYS A 29 12.845 -3.372 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 29 12.635 -2.131 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.643 -1.529 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.596 -0.791 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.274 -3.687 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.376 -2.452 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.995 -2.288 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.027 -3.632 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.077 -5.056 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.057 -3.711 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.522 -5.182 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.783 -3.674 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.858 -4.995 4.255 1.00 0.00 H new ATOM 441 N LYS A 30 12.222 0.243 0.274 1.00 0.00 N ATOM 442 CA LYS A 30 11.515 1.422 -0.219 1.00 0.00 C ATOM 443 C LYS A 30 12.046 1.883 -1.575 1.00 0.00 C ATOM 444 O LYS A 30 11.495 2.800 -2.183 1.00 0.00 O ATOM 445 CB LYS A 30 11.589 2.522 0.836 1.00 0.00 C ATOM 446 CG LYS A 30 13.033 2.873 1.203 1.00 0.00 C ATOM 447 CD LYS A 30 13.099 3.258 2.681 1.00 0.00 C ATOM 448 CE LYS A 30 12.232 4.483 2.972 1.00 0.00 C ATOM 449 NZ LYS A 30 12.260 4.825 4.407 1.00 0.00 N ATOM 0 H LYS A 30 12.832 0.440 1.068 1.00 0.00 H new ATOM 0 HA LYS A 30 10.469 1.166 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.083 3.413 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.056 2.202 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.687 2.023 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.388 3.697 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.766 2.420 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.132 3.466 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.587 5.331 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.206 4.288 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.663 5.660 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.899 4.023 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.237 5.034 4.695 1.00 0.00 H new ATOM 463 N SER A 31 13.117 1.243 -2.043 1.00 0.00 N ATOM 464 CA SER A 31 13.679 1.459 -3.369 1.00 0.00 C ATOM 465 C SER A 31 13.248 0.344 -4.321 1.00 0.00 C ATOM 466 O SER A 31 13.638 0.348 -5.488 1.00 0.00 O ATOM 467 CB SER A 31 15.204 1.540 -3.280 1.00 0.00 C ATOM 468 OG SER A 31 15.580 2.580 -2.397 1.00 0.00 O ATOM 0 H SER A 31 13.626 0.547 -1.498 1.00 0.00 H new ATOM 0 HA SER A 31 13.303 2.403 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.608 0.590 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.626 1.720 -4.269 1.00 0.00 H new ATOM 0 HG SER A 31 16.557 2.626 -2.343 1.00 0.00 H new ATOM 474 N ASP A 32 12.446 -0.609 -3.830 1.00 0.00 N ATOM 475 CA ASP A 32 11.947 -1.728 -4.610 1.00 0.00 C ATOM 476 C ASP A 32 10.425 -1.667 -4.727 1.00 0.00 C ATOM 477 O ASP A 32 9.869 -2.067 -5.749 1.00 0.00 O ATOM 478 CB ASP A 32 12.385 -3.019 -3.917 1.00 0.00 C ATOM 479 CG ASP A 32 13.891 -3.233 -4.032 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.344 -3.536 -5.160 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.574 -3.098 -2.993 1.00 0.00 O ATOM 0 H ASP A 32 12.125 -0.616 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 32 12.352 -1.691 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.101 -2.983 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.861 -3.866 -4.360 1.00 0.00 H new ATOM 486 N VAL A 33 9.739 -1.169 -3.694 1.00 0.00 N ATOM 487 CA VAL A 33 8.290 -1.032 -3.735 1.00 0.00 C ATOM 488 C VAL A 33 7.918 -0.018 -4.815 1.00 0.00 C ATOM 489 O VAL A 33 6.864 -0.124 -5.438 1.00 0.00 O ATOM 490 CB VAL A 33 7.791 -0.597 -2.356 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.301 -0.266 -2.374 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.003 -1.712 -1.333 1.00 0.00 C ATOM 0 H VAL A 33 10.168 -0.856 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 33 7.817 -1.982 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 33 8.361 0.292 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.984 0.039 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.117 0.546 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.736 -1.146 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.642 -1.385 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.453 -2.600 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.065 -1.948 -1.266 1.00 0.00 H new ATOM 502 N GLU A 34 8.787 0.973 -5.049 1.00 0.00 N ATOM 503 CA GLU A 34 8.561 1.978 -6.080 1.00 0.00 C ATOM 504 C GLU A 34 8.922 1.455 -7.474 1.00 0.00 C ATOM 505 O GLU A 34 8.929 2.221 -8.435 1.00 0.00 O ATOM 506 CB GLU A 34 9.304 3.275 -5.745 1.00 0.00 C ATOM 507 CG GLU A 34 10.818 3.053 -5.700 1.00 0.00 C ATOM 508 CD GLU A 34 11.577 4.362 -5.460 1.00 0.00 C ATOM 509 OE1 GLU A 34 10.926 5.363 -5.089 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.814 4.352 -5.653 1.00 0.00 O ATOM 0 H GLU A 34 9.657 1.095 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 34 7.495 2.202 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.068 4.035 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.961 3.655 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.058 2.343 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.148 2.608 -6.639 1.00 0.00 H new ATOM 517 N ALA A 35 9.217 0.157 -7.583 1.00 0.00 N ATOM 518 CA ALA A 35 9.502 -0.496 -8.851 1.00 0.00 C ATOM 519 C ALA A 35 8.603 -1.716 -9.054 1.00 0.00 C ATOM 520 O ALA A 35 8.605 -2.309 -10.131 1.00 0.00 O ATOM 521 CB ALA A 35 10.981 -0.874 -8.895 1.00 0.00 C ATOM 0 H ALA A 35 9.264 -0.472 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 35 9.289 0.192 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.203 -1.364 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.589 0.025 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.208 -1.553 -8.073 1.00 0.00 H new ATOM 527 N ILE A 36 7.838 -2.094 -8.023 1.00 0.00 N ATOM 528 CA ILE A 36 6.913 -3.221 -8.089 1.00 0.00 C ATOM 529 C ILE A 36 5.468 -2.727 -8.104 1.00 0.00 C ATOM 530 O ILE A 36 4.592 -3.393 -8.649 1.00 0.00 O ATOM 531 CB ILE A 36 7.170 -4.141 -6.891 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.593 -4.711 -6.969 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.157 -5.286 -6.865 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.032 -5.310 -5.631 1.00 0.00 C ATOM 0 H ILE A 36 7.846 -1.622 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 36 7.076 -3.779 -9.011 1.00 0.00 H new ATOM 0 HB ILE A 36 7.061 -3.558 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.637 -5.477 -7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.286 -3.922 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.356 -5.928 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.149 -4.878 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.243 -5.869 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.044 -5.704 -5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.012 -4.537 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.353 -6.116 -5.353 1.00 0.00 H new ATOM 546 N PHE A 37 5.211 -1.560 -7.509 1.00 0.00 N ATOM 547 CA PHE A 37 3.878 -0.984 -7.453 1.00 0.00 C ATOM 548 C PHE A 37 3.725 0.139 -8.478 1.00 0.00 C ATOM 549 O PHE A 37 2.622 0.640 -8.688 1.00 0.00 O ATOM 550 CB PHE A 37 3.604 -0.507 -6.028 1.00 0.00 C ATOM 551 CG PHE A 37 3.394 -1.629 -5.039 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.494 -2.333 -4.527 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.099 -1.971 -4.633 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.298 -3.385 -3.621 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.900 -3.021 -3.724 1.00 0.00 C ATOM 556 CZ PHE A 37 3.003 -3.729 -3.217 1.00 0.00 C ATOM 0 H PHE A 37 5.926 -0.992 -7.054 1.00 0.00 H new ATOM 0 HA PHE A 37 3.137 -1.740 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.440 0.108 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.720 0.131 -6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.495 -2.064 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.251 -1.426 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.147 -3.930 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.900 -3.285 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.852 -4.537 -2.517 1.00 0.00 H new ATOM 566 N SER A 38 4.825 0.535 -9.124 1.00 0.00 N ATOM 567 CA SER A 38 4.810 1.615 -10.105 1.00 0.00 C ATOM 568 C SER A 38 4.124 1.184 -11.397 1.00 0.00 C ATOM 569 O SER A 38 3.777 2.022 -12.228 1.00 0.00 O ATOM 570 CB SER A 38 6.245 2.039 -10.396 1.00 0.00 C ATOM 571 OG SER A 38 6.991 0.928 -10.847 1.00 0.00 O ATOM 0 H SER A 38 5.744 0.117 -8.981 1.00 0.00 H new ATOM 0 HA SER A 38 4.246 2.452 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.255 2.826 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.701 2.454 -9.497 1.00 0.00 H new ATOM 0 HG SER A 38 7.912 1.206 -11.034 1.00 0.00 H new ATOM 577 N LYS A 39 3.927 -0.124 -11.572 1.00 0.00 N ATOM 578 CA LYS A 39 3.273 -0.682 -12.746 1.00 0.00 C ATOM 579 C LYS A 39 1.750 -0.610 -12.647 1.00 0.00 C ATOM 580 O LYS A 39 1.065 -0.864 -13.640 1.00 0.00 O ATOM 581 CB LYS A 39 3.762 -2.119 -12.928 1.00 0.00 C ATOM 582 CG LYS A 39 3.287 -2.985 -11.763 1.00 0.00 C ATOM 583 CD LYS A 39 4.112 -4.271 -11.678 1.00 0.00 C ATOM 584 CE LYS A 39 3.964 -5.126 -12.937 1.00 0.00 C ATOM 585 NZ LYS A 39 2.575 -5.590 -13.117 1.00 0.00 N ATOM 0 H LYS A 39 4.221 -0.827 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 39 3.538 -0.089 -13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.387 -2.523 -13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.850 -2.137 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.374 -2.428 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.233 -3.230 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.162 -4.020 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.797 -4.848 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.271 -4.548 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.631 -5.986 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.578 -6.537 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.100 -5.631 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.066 -4.929 -13.738 1.00 0.00 H new ATOM 599 N TYR A 40 1.212 -0.269 -11.472 1.00 0.00 N ATOM 600 CA TYR A 40 -0.226 -0.126 -11.275 1.00 0.00 C ATOM 601 C TYR A 40 -0.627 1.339 -11.142 1.00 0.00 C ATOM 602 O TYR A 40 -1.807 1.681 -11.242 1.00 0.00 O ATOM 603 CB TYR A 40 -0.651 -0.927 -10.046 1.00 0.00 C ATOM 604 CG TYR A 40 -0.244 -2.379 -10.150 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.950 -3.251 -10.994 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.850 -2.849 -9.414 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.551 -4.587 -11.118 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.260 -4.182 -9.538 1.00 0.00 C ATOM 609 CZ TYR A 40 0.562 -5.057 -10.395 1.00 0.00 C ATOM 610 OH TYR A 40 0.964 -6.352 -10.524 1.00 0.00 O ATOM 0 H TYR A 40 1.764 -0.085 -10.634 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.741 -0.518 -12.152 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.204 -0.488 -9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.732 -0.861 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.803 -2.890 -11.549 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.379 -2.182 -8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.096 -5.256 -11.767 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.111 -4.540 -8.977 1.00 0.00 H new ATOM 0 HH TYR A 40 1.375 -6.652 -9.686 1.00 0.00 H new ATOM 620 N GLY A 41 0.352 2.219 -10.918 1.00 0.00 N ATOM 621 CA GLY A 41 0.102 3.650 -10.899 1.00 0.00 C ATOM 622 C GLY A 41 1.383 4.451 -10.713 1.00 0.00 C ATOM 623 O GLY A 41 2.396 3.921 -10.262 1.00 0.00 O ATOM 0 H GLY A 41 1.323 1.959 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.379 3.946 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.593 3.886 -10.093 1.00 0.00 H new ATOM 627 N LYS A 42 1.333 5.738 -11.063 1.00 0.00 N ATOM 628 CA LYS A 42 2.454 6.642 -10.892 1.00 0.00 C ATOM 629 C LYS A 42 2.630 6.934 -9.407 1.00 0.00 C ATOM 630 O LYS A 42 1.764 7.551 -8.790 1.00 0.00 O ATOM 631 CB LYS A 42 2.173 7.914 -11.697 1.00 0.00 C ATOM 632 CG LYS A 42 3.165 9.027 -11.375 1.00 0.00 C ATOM 633 CD LYS A 42 2.872 10.229 -12.266 1.00 0.00 C ATOM 634 CE LYS A 42 3.655 11.437 -11.760 1.00 0.00 C ATOM 635 NZ LYS A 42 3.445 12.609 -12.633 1.00 0.00 N ATOM 0 H LYS A 42 0.508 6.176 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 42 3.382 6.202 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.218 7.686 -12.762 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.161 8.259 -11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.086 9.309 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.185 8.679 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.149 10.008 -13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.804 10.446 -12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.344 11.676 -10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.717 11.195 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.988 13.417 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.765 12.385 -13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.434 12.852 -12.651 1.00 0.00 H new ATOM 649 N ILE A 43 3.751 6.487 -8.837 1.00 0.00 N ATOM 650 CA ILE A 43 4.025 6.664 -7.422 1.00 0.00 C ATOM 651 C ILE A 43 4.613 8.049 -7.183 1.00 0.00 C ATOM 652 O ILE A 43 5.559 8.453 -7.856 1.00 0.00 O ATOM 653 CB ILE A 43 4.939 5.533 -6.927 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.183 4.208 -7.064 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.336 5.752 -5.466 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.014 2.999 -6.640 1.00 0.00 C ATOM 0 H ILE A 43 4.486 5.996 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 43 3.102 6.605 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 43 5.851 5.517 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.277 4.249 -6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.869 4.081 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.983 4.938 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.868 6.699 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.440 5.775 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.423 2.091 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.907 2.935 -7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.306 3.106 -5.595 1.00 0.00 H new ATOM 668 N VAL A 44 4.044 8.773 -6.216 1.00 0.00 N ATOM 669 CA VAL A 44 4.501 10.105 -5.842 1.00 0.00 C ATOM 670 C VAL A 44 5.168 10.080 -4.470 1.00 0.00 C ATOM 671 O VAL A 44 5.731 11.080 -4.029 1.00 0.00 O ATOM 672 CB VAL A 44 3.339 11.103 -5.888 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.763 11.170 -7.304 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.224 10.703 -4.918 1.00 0.00 C ATOM 0 H VAL A 44 3.248 8.445 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 44 5.249 10.434 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 44 3.728 12.078 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.938 11.882 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.540 11.492 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.401 10.184 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.414 11.431 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.845 9.717 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.618 10.676 -3.902 1.00 0.00 H new ATOM 684 N GLY A 45 5.108 8.931 -3.788 1.00 0.00 N ATOM 685 CA GLY A 45 5.751 8.737 -2.500 1.00 0.00 C ATOM 686 C GLY A 45 5.744 7.260 -2.132 1.00 0.00 C ATOM 687 O GLY A 45 4.800 6.542 -2.459 1.00 0.00 O ATOM 0 H GLY A 45 4.606 8.109 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.776 9.106 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.232 9.313 -1.734 1.00 0.00 H new ATOM 691 N CYS A 46 6.794 6.801 -1.452 1.00 0.00 N ATOM 692 CA CYS A 46 6.920 5.412 -1.046 1.00 0.00 C ATOM 693 C CYS A 46 7.733 5.320 0.241 1.00 0.00 C ATOM 694 O CYS A 46 8.670 6.091 0.447 1.00 0.00 O ATOM 695 CB CYS A 46 7.601 4.623 -2.165 1.00 0.00 C ATOM 696 SG CYS A 46 7.698 2.879 -1.696 1.00 0.00 S ATOM 0 H CYS A 46 7.580 7.387 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 46 5.932 4.991 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.041 4.731 -3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.600 5.018 -2.348 1.00 0.00 H new ATOM 0 HG CYS A 46 6.737 2.598 -0.867 1.00 0.00 H new ATOM 702 N SER A 47 7.374 4.377 1.109 1.00 0.00 N ATOM 703 CA SER A 47 8.102 4.144 2.345 1.00 0.00 C ATOM 704 C SER A 47 7.917 2.700 2.794 1.00 0.00 C ATOM 705 O SER A 47 6.872 2.100 2.554 1.00 0.00 O ATOM 706 CB SER A 47 7.619 5.111 3.429 1.00 0.00 C ATOM 707 OG SER A 47 8.437 4.979 4.573 1.00 0.00 O ATOM 0 H SER A 47 6.574 3.758 0.973 1.00 0.00 H new ATOM 0 HA SER A 47 9.164 4.320 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.654 6.136 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.581 4.899 3.684 1.00 0.00 H new ATOM 0 HG SER A 47 7.941 4.512 5.278 1.00 0.00 H new ATOM 713 N VAL A 48 8.938 2.148 3.447 1.00 0.00 N ATOM 714 CA VAL A 48 8.895 0.801 3.992 1.00 0.00 C ATOM 715 C VAL A 48 9.241 0.849 5.473 1.00 0.00 C ATOM 716 O VAL A 48 10.038 1.676 5.913 1.00 0.00 O ATOM 717 CB VAL A 48 9.844 -0.120 3.216 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.915 -1.511 3.848 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.338 -0.278 1.786 1.00 0.00 C ATOM 0 H VAL A 48 9.822 2.630 3.612 1.00 0.00 H new ATOM 0 HA VAL A 48 7.891 0.391 3.886 1.00 0.00 H new ATOM 0 HB VAL A 48 10.836 0.332 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.596 -2.138 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.277 -1.427 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.922 -1.961 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.011 -0.932 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.339 -0.713 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.302 0.698 1.303 1.00 0.00 H new ATOM 729 N HIS A 49 8.625 -0.057 6.231 1.00 0.00 N ATOM 730 CA HIS A 49 8.767 -0.154 7.671 1.00 0.00 C ATOM 731 C HIS A 49 9.001 -1.617 8.021 1.00 0.00 C ATOM 732 O HIS A 49 9.278 -2.420 7.134 1.00 0.00 O ATOM 733 CB HIS A 49 7.487 0.382 8.316 1.00 0.00 C ATOM 734 CG HIS A 49 7.121 1.767 7.848 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.353 2.952 8.550 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.506 2.064 6.664 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.870 3.930 7.772 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.356 3.429 6.634 1.00 0.00 N ATOM 0 H HIS A 49 7.997 -0.761 5.843 1.00 0.00 H new ATOM 0 HA HIS A 49 9.609 0.432 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.664 -0.298 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.610 0.392 9.399 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.198 1.363 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.891 4.980 8.025 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.930 3.969 5.881 1.00 0.00 H new ATOM 746 N LYS A 50 8.897 -1.989 9.301 1.00 0.00 N ATOM 747 CA LYS A 50 9.034 -3.389 9.680 1.00 0.00 C ATOM 748 C LYS A 50 7.674 -4.077 9.643 1.00 0.00 C ATOM 749 O LYS A 50 6.756 -3.689 10.360 1.00 0.00 O ATOM 750 CB LYS A 50 9.700 -3.512 11.055 1.00 0.00 C ATOM 751 CG LYS A 50 11.133 -2.962 11.045 1.00 0.00 C ATOM 752 CD LYS A 50 12.003 -3.608 9.960 1.00 0.00 C ATOM 753 CE LYS A 50 12.009 -5.131 10.099 1.00 0.00 C ATOM 754 NZ LYS A 50 12.756 -5.757 8.990 1.00 0.00 N ATOM 0 H LYS A 50 8.722 -1.349 10.076 1.00 0.00 H new ATOM 0 HA LYS A 50 9.681 -3.893 8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.109 -2.973 11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.714 -4.558 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.104 -1.884 10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.590 -3.130 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.628 -3.330 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.022 -3.228 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.460 -5.412 11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.985 -5.504 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.170 -6.655 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.110 -5.940 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.515 -5.118 8.678 1.00 0.00 H new ATOM 768 N GLY A 51 7.556 -5.100 8.797 1.00 0.00 N ATOM 769 CA GLY A 51 6.340 -5.885 8.643 1.00 0.00 C ATOM 770 C GLY A 51 5.323 -5.238 7.701 1.00 0.00 C ATOM 771 O GLY A 51 4.369 -5.901 7.294 1.00 0.00 O ATOM 0 H GLY A 51 8.317 -5.408 8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.599 -6.874 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.881 -6.028 9.621 1.00 0.00 H new ATOM 775 N PHE A 52 5.505 -3.963 7.343 1.00 0.00 N ATOM 776 CA PHE A 52 4.579 -3.287 6.443 1.00 0.00 C ATOM 777 C PHE A 52 5.282 -2.213 5.616 1.00 0.00 C ATOM 778 O PHE A 52 6.428 -1.858 5.882 1.00 0.00 O ATOM 779 CB PHE A 52 3.424 -2.666 7.237 1.00 0.00 C ATOM 780 CG PHE A 52 3.843 -1.600 8.214 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.248 -1.956 9.509 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.828 -0.251 7.829 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.649 -0.964 10.415 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.232 0.739 8.736 1.00 0.00 C ATOM 785 CZ PHE A 52 4.642 0.382 10.027 1.00 0.00 C ATOM 0 H PHE A 52 6.282 -3.385 7.663 1.00 0.00 H new ATOM 0 HA PHE A 52 4.182 -4.034 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.707 -2.238 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.906 -3.457 7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.251 -2.994 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.506 0.024 6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.963 -1.237 11.411 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.227 1.777 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.953 1.146 10.724 1.00 0.00 H new ATOM 795 N ALA A 53 4.578 -1.695 4.607 1.00 0.00 N ATOM 796 CA ALA A 53 5.051 -0.612 3.757 1.00 0.00 C ATOM 797 C ALA A 53 3.872 0.239 3.297 1.00 0.00 C ATOM 798 O ALA A 53 2.713 -0.121 3.509 1.00 0.00 O ATOM 799 CB ALA A 53 5.805 -1.198 2.563 1.00 0.00 C ATOM 0 H ALA A 53 3.646 -2.026 4.357 1.00 0.00 H new ATOM 0 HA ALA A 53 5.732 0.028 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.160 -0.389 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.655 -1.779 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.137 -1.844 1.993 1.00 0.00 H new ATOM 805 N PHE A 54 4.174 1.375 2.663 1.00 0.00 N ATOM 806 CA PHE A 54 3.174 2.304 2.170 1.00 0.00 C ATOM 807 C PHE A 54 3.575 2.851 0.803 1.00 0.00 C ATOM 808 O PHE A 54 4.758 3.030 0.515 1.00 0.00 O ATOM 809 CB PHE A 54 2.995 3.448 3.171 1.00 0.00 C ATOM 810 CG PHE A 54 1.957 3.159 4.232 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.599 3.249 3.905 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.345 2.806 5.533 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.375 2.988 4.874 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.369 2.535 6.501 1.00 0.00 C ATOM 815 CZ PHE A 54 0.010 2.629 6.171 1.00 0.00 C ATOM 0 H PHE A 54 5.132 1.672 2.479 1.00 0.00 H new ATOM 0 HA PHE A 54 2.227 1.776 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.951 3.652 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.711 4.352 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.303 3.521 2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.393 2.743 5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.422 3.063 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.664 2.254 7.501 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.742 2.424 6.919 1.00 0.00 H new ATOM 825 N VAL A 55 2.566 3.116 -0.032 1.00 0.00 N ATOM 826 CA VAL A 55 2.745 3.680 -1.363 1.00 0.00 C ATOM 827 C VAL A 55 1.716 4.776 -1.571 1.00 0.00 C ATOM 828 O VAL A 55 0.605 4.688 -1.057 1.00 0.00 O ATOM 829 CB VAL A 55 2.602 2.586 -2.426 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.703 3.168 -3.837 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.719 1.560 -2.262 1.00 0.00 C ATOM 0 H VAL A 55 1.590 2.940 0.206 1.00 0.00 H new ATOM 0 HA VAL A 55 3.745 4.104 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 55 1.624 2.123 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.598 2.367 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.911 3.902 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.672 3.650 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.614 0.784 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.685 2.052 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.657 1.110 -1.271 1.00 0.00 H new ATOM 841 N GLN A 56 2.090 5.809 -2.325 1.00 0.00 N ATOM 842 CA GLN A 56 1.226 6.942 -2.591 1.00 0.00 C ATOM 843 C GLN A 56 1.127 7.149 -4.098 1.00 0.00 C ATOM 844 O GLN A 56 2.141 7.155 -4.793 1.00 0.00 O ATOM 845 CB GLN A 56 1.818 8.167 -1.887 1.00 0.00 C ATOM 846 CG GLN A 56 0.914 9.396 -1.989 1.00 0.00 C ATOM 847 CD GLN A 56 -0.327 9.253 -1.122 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.226 9.015 0.079 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.503 9.398 -1.721 1.00 0.00 N ATOM 0 H GLN A 56 3.007 5.877 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 56 0.218 6.773 -2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.988 7.931 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.790 8.398 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.470 10.283 -1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.618 9.545 -3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.545 9.595 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.364 9.312 -1.181 1.00 0.00 H new ATOM 858 N TYR A 57 -0.097 7.316 -4.599 1.00 0.00 N ATOM 859 CA TYR A 57 -0.366 7.521 -6.013 1.00 0.00 C ATOM 860 C TYR A 57 -0.937 8.914 -6.250 1.00 0.00 C ATOM 861 O TYR A 57 -1.197 9.663 -5.309 1.00 0.00 O ATOM 862 CB TYR A 57 -1.353 6.463 -6.502 1.00 0.00 C ATOM 863 CG TYR A 57 -0.809 5.055 -6.491 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.356 4.760 -7.212 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.472 4.050 -5.769 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.872 3.456 -7.205 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.951 2.750 -5.752 1.00 0.00 C ATOM 868 CZ TYR A 57 0.225 2.452 -6.466 1.00 0.00 C ATOM 869 OH TYR A 57 0.730 1.192 -6.440 1.00 0.00 O ATOM 0 H TYR A 57 -0.938 7.312 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 57 0.568 7.431 -6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.246 6.500 -5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.662 6.713 -7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.856 5.536 -7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.379 4.278 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.765 3.224 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.452 1.975 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 57 1.250 1.031 -7.255 1.00 0.00 H new ATOM 879 N VAL A 58 -1.136 9.252 -7.525 1.00 0.00 N ATOM 880 CA VAL A 58 -1.703 10.530 -7.912 1.00 0.00 C ATOM 881 C VAL A 58 -3.185 10.583 -7.554 1.00 0.00 C ATOM 882 O VAL A 58 -3.706 11.663 -7.271 1.00 0.00 O ATOM 883 CB VAL A 58 -1.485 10.738 -9.418 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.250 11.958 -9.925 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.000 10.934 -9.707 1.00 0.00 C ATOM 0 H VAL A 58 -0.907 8.644 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.206 11.335 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.855 9.851 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.075 12.078 -10.994 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.316 11.820 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.905 12.848 -9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.146 11.081 -10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.363 11.809 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.553 10.053 -9.383 1.00 0.00 H new ATOM 895 N ASN A 59 -3.875 9.435 -7.559 1.00 0.00 N ATOM 896 CA ASN A 59 -5.281 9.389 -7.190 1.00 0.00 C ATOM 897 C ASN A 59 -5.713 8.004 -6.713 1.00 0.00 C ATOM 898 O ASN A 59 -4.998 7.021 -6.908 1.00 0.00 O ATOM 899 CB ASN A 59 -6.147 9.882 -8.350 1.00 0.00 C ATOM 900 CG ASN A 59 -6.600 8.780 -9.291 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.797 8.550 -9.424 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.667 8.098 -9.943 1.00 0.00 N ATOM 0 H ASN A 59 -3.476 8.532 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.423 10.059 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.025 10.386 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.587 10.625 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.935 7.351 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.681 8.321 -9.804 1.00 0.00 H new ATOM 909 N GLU A 60 -6.887 7.926 -6.084 1.00 0.00 N ATOM 910 CA GLU A 60 -7.448 6.687 -5.558 1.00 0.00 C ATOM 911 C GLU A 60 -7.605 5.608 -6.629 1.00 0.00 C ATOM 912 O GLU A 60 -7.519 4.424 -6.302 1.00 0.00 O ATOM 913 CB GLU A 60 -8.799 7.016 -4.921 1.00 0.00 C ATOM 914 CG GLU A 60 -9.512 5.753 -4.424 1.00 0.00 C ATOM 915 CD GLU A 60 -10.817 6.062 -3.690 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.221 7.248 -3.676 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.401 5.100 -3.144 1.00 0.00 O ATOM 0 H GLU A 60 -7.483 8.738 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.759 6.276 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.651 7.703 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.429 7.528 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.723 5.102 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.847 5.203 -3.758 1.00 0.00 H new ATOM 924 N ARG A 61 -7.828 5.969 -7.896 1.00 0.00 N ATOM 925 CA ARG A 61 -7.978 4.961 -8.941 1.00 0.00 C ATOM 926 C ARG A 61 -6.708 4.115 -9.034 1.00 0.00 C ATOM 927 O ARG A 61 -6.774 2.906 -9.249 1.00 0.00 O ATOM 928 CB ARG A 61 -8.281 5.657 -10.271 1.00 0.00 C ATOM 929 CG ARG A 61 -8.176 4.714 -11.471 1.00 0.00 C ATOM 930 CD ARG A 61 -9.050 3.475 -11.307 1.00 0.00 C ATOM 931 NE ARG A 61 -10.476 3.825 -11.254 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.449 2.955 -10.959 1.00 0.00 C ATOM 933 NH1 ARG A 61 -11.168 1.685 -10.681 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.715 3.359 -10.944 1.00 0.00 N ATOM 0 H ARG A 61 -7.907 6.934 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.806 4.295 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.285 6.080 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.589 6.489 -10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.469 5.246 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.138 4.410 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.873 2.791 -12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.769 2.949 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.740 4.790 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.200 1.363 -10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.920 1.033 -10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.943 4.330 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.459 2.698 -10.719 1.00 0.00 H new ATOM 948 N ASN A 62 -5.547 4.745 -8.864 1.00 0.00 N ATOM 949 CA ASN A 62 -4.294 4.017 -8.917 1.00 0.00 C ATOM 950 C ASN A 62 -4.113 3.149 -7.672 1.00 0.00 C ATOM 951 O ASN A 62 -3.396 2.151 -7.719 1.00 0.00 O ATOM 952 CB ASN A 62 -3.160 5.024 -9.062 1.00 0.00 C ATOM 953 CG ASN A 62 -3.089 5.559 -10.484 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.202 6.759 -10.712 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.899 4.663 -11.449 1.00 0.00 N ATOM 0 H ASN A 62 -5.454 5.746 -8.691 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.293 3.343 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.310 5.849 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.213 4.552 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.842 4.965 -12.422 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.810 3.674 -11.216 1.00 0.00 H new ATOM 962 N ALA A 63 -4.758 3.518 -6.562 1.00 0.00 N ATOM 963 CA ALA A 63 -4.685 2.737 -5.337 1.00 0.00 C ATOM 964 C ALA A 63 -5.541 1.483 -5.462 1.00 0.00 C ATOM 965 O ALA A 63 -5.151 0.413 -4.999 1.00 0.00 O ATOM 966 CB ALA A 63 -5.138 3.583 -4.150 1.00 0.00 C ATOM 0 H ALA A 63 -5.336 4.355 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.652 2.432 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.080 2.990 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.492 4.456 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.166 3.908 -4.307 1.00 0.00 H new ATOM 972 N ARG A 64 -6.711 1.603 -6.094 1.00 0.00 N ATOM 973 CA ARG A 64 -7.595 0.462 -6.302 1.00 0.00 C ATOM 974 C ARG A 64 -6.956 -0.535 -7.262 1.00 0.00 C ATOM 975 O ARG A 64 -7.242 -1.729 -7.189 1.00 0.00 O ATOM 976 CB ARG A 64 -8.935 0.941 -6.874 1.00 0.00 C ATOM 977 CG ARG A 64 -9.680 1.889 -5.930 1.00 0.00 C ATOM 978 CD ARG A 64 -10.124 1.197 -4.643 1.00 0.00 C ATOM 979 NE ARG A 64 -10.887 2.126 -3.800 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.837 1.766 -2.936 1.00 0.00 C ATOM 981 NH1 ARG A 64 -12.165 0.487 -2.765 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.466 2.701 -2.231 1.00 0.00 N ATOM 0 H ARG A 64 -7.066 2.482 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.764 -0.029 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.759 1.446 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.565 0.076 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.035 2.732 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.553 2.295 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.736 0.327 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.252 0.834 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.675 3.120 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.687 -0.238 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.894 0.232 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.221 3.683 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.194 2.436 -1.568 1.00 0.00 H new ATOM 996 N ALA A 65 -6.093 -0.055 -8.163 1.00 0.00 N ATOM 997 CA ALA A 65 -5.444 -0.921 -9.131 1.00 0.00 C ATOM 998 C ALA A 65 -4.302 -1.709 -8.486 1.00 0.00 C ATOM 999 O ALA A 65 -4.052 -2.851 -8.863 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.934 -0.068 -10.290 1.00 0.00 C ATOM 0 H ALA A 65 -5.833 0.929 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.164 -1.649 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.444 -0.707 -11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.772 0.447 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.221 0.666 -9.915 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.607 -1.111 -7.513 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.508 -1.779 -6.839 1.00 0.00 C ATOM 1008 C ALA A 66 -3.006 -2.690 -5.715 1.00 0.00 C ATOM 1009 O ALA A 66 -2.417 -3.741 -5.472 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.562 -0.710 -6.311 1.00 0.00 C ATOM 0 H ALA A 66 -3.792 -0.165 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.983 -2.425 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.725 -1.185 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.187 -0.113 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.095 -0.065 -5.613 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.086 -2.304 -5.032 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.685 -3.152 -4.008 1.00 0.00 C ATOM 1018 C VAL A 67 -5.233 -4.429 -4.639 1.00 0.00 C ATOM 1019 O VAL A 67 -5.198 -5.489 -4.016 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.804 -2.377 -3.301 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.648 -3.295 -2.414 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.204 -1.294 -2.408 1.00 0.00 C ATOM 0 H VAL A 67 -4.560 -1.412 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.927 -3.432 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.433 -1.941 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.431 -2.713 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.102 -4.075 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.013 -3.752 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.005 -0.748 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.559 -1.755 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.619 -0.604 -3.016 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.738 -4.345 -5.872 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.245 -5.516 -6.571 1.00 0.00 C ATOM 1034 C ALA A 68 -5.178 -6.171 -7.450 1.00 0.00 C ATOM 1035 O ALA A 68 -5.397 -7.270 -7.959 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.466 -5.112 -7.395 1.00 0.00 C ATOM 0 H ALA A 68 -5.804 -3.476 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.533 -6.264 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.853 -5.983 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.237 -4.716 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.181 -4.347 -8.118 1.00 0.00 H new ATOM 1042 N GLY A 69 -4.028 -5.509 -7.636 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.964 -6.013 -8.496 1.00 0.00 C ATOM 1044 C GLY A 69 -1.812 -6.666 -7.732 1.00 0.00 C ATOM 1045 O GLY A 69 -1.008 -7.363 -8.344 1.00 0.00 O ATOM 0 H GLY A 69 -3.816 -4.614 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.385 -6.739 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.572 -5.190 -9.093 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.717 -6.463 -6.413 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.585 -6.965 -5.634 1.00 0.00 C ATOM 1051 C GLU A 70 -1.020 -7.694 -4.366 1.00 0.00 C ATOM 1052 O GLU A 70 -0.226 -8.424 -3.784 1.00 0.00 O ATOM 1053 CB GLU A 70 0.337 -5.801 -5.267 1.00 0.00 C ATOM 1054 CG GLU A 70 1.148 -5.328 -6.474 1.00 0.00 C ATOM 1055 CD GLU A 70 2.222 -6.350 -6.861 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.156 -6.538 -6.052 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.107 -6.943 -7.957 1.00 0.00 O ATOM 0 H GLU A 70 -2.411 -5.955 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.058 -7.689 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.257 -4.973 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.014 -6.109 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.481 -5.161 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.619 -4.372 -6.246 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.261 -7.528 -3.912 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.710 -8.256 -2.737 1.00 0.00 C ATOM 1066 C ASP A 71 -2.634 -9.762 -2.994 1.00 0.00 C ATOM 1067 O ASP A 71 -3.282 -10.276 -3.903 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.133 -7.825 -2.394 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.674 -8.622 -1.210 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -3.999 -8.609 -0.158 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.752 -9.237 -1.367 1.00 0.00 O ATOM 0 H ASP A 71 -2.956 -6.910 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.063 -8.029 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.148 -6.761 -2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.779 -7.969 -3.260 1.00 0.00 H new ATOM 1076 N GLY A 72 -1.839 -10.473 -2.186 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.709 -11.921 -2.290 1.00 0.00 C ATOM 1078 C GLY A 72 -0.791 -12.356 -3.433 1.00 0.00 C ATOM 1079 O GLY A 72 -0.857 -13.506 -3.871 1.00 0.00 O ATOM 0 H GLY A 72 -1.272 -10.058 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.322 -12.314 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.696 -12.360 -2.437 1.00 0.00 H new ATOM 1083 N ARG A 73 0.065 -11.452 -3.923 1.00 0.00 N ATOM 1084 CA ARG A 73 0.927 -11.701 -5.083 1.00 0.00 C ATOM 1085 C ARG A 73 2.176 -12.508 -4.750 1.00 0.00 C ATOM 1086 O ARG A 73 2.795 -13.103 -5.632 1.00 0.00 O ATOM 1087 CB ARG A 73 1.287 -10.353 -5.712 1.00 0.00 C ATOM 1088 CG ARG A 73 2.118 -9.503 -4.744 1.00 0.00 C ATOM 1089 CD ARG A 73 3.613 -9.729 -4.923 1.00 0.00 C ATOM 1090 NE ARG A 73 4.033 -9.204 -6.213 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.961 -9.725 -7.019 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.608 -10.842 -6.697 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.243 -9.119 -8.166 1.00 0.00 N ATOM 0 H ARG A 73 0.179 -10.521 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 73 0.374 -12.318 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.847 -10.515 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.376 -9.818 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.890 -8.449 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.836 -9.742 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.164 -9.237 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.841 -10.793 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 73 3.572 -8.352 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.399 -11.318 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.313 -11.223 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.752 -8.263 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.950 -9.509 -8.789 1.00 0.00 H new ATOM 1107 N MET A 74 2.519 -12.505 -3.468 1.00 0.00 N ATOM 1108 CA MET A 74 3.632 -13.221 -2.854 1.00 0.00 C ATOM 1109 C MET A 74 4.968 -12.583 -3.197 1.00 0.00 C ATOM 1110 O MET A 74 5.340 -12.455 -4.363 1.00 0.00 O ATOM 1111 CB MET A 74 3.597 -14.712 -3.185 1.00 0.00 C ATOM 1112 CG MET A 74 4.688 -15.438 -2.398 1.00 0.00 C ATOM 1113 SD MET A 74 4.698 -17.235 -2.627 1.00 0.00 S ATOM 1114 CE MET A 74 3.140 -17.620 -1.795 1.00 0.00 C ATOM 0 H MET A 74 1.991 -11.965 -2.782 1.00 0.00 H new ATOM 0 HA MET A 74 3.515 -13.139 -1.773 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.620 -15.127 -2.938 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.746 -14.861 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.659 -15.040 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.562 -15.219 -1.338 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.017 -18.701 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.151 -17.200 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.311 -17.191 -2.358 1.00 0.00 H new ATOM 1124 N ILE A 75 5.689 -12.184 -2.150 1.00 0.00 N ATOM 1125 CA ILE A 75 6.954 -11.496 -2.280 1.00 0.00 C ATOM 1126 C ILE A 75 7.949 -12.070 -1.278 1.00 0.00 C ATOM 1127 O ILE A 75 7.589 -12.363 -0.139 1.00 0.00 O ATOM 1128 CB ILE A 75 6.700 -9.992 -2.110 1.00 0.00 C ATOM 1129 CG1 ILE A 75 6.820 -9.354 -3.499 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.637 -9.351 -1.087 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.532 -7.851 -3.504 1.00 0.00 C ATOM 0 H ILE A 75 5.401 -12.335 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 75 7.399 -11.642 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 75 5.702 -9.824 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.825 -9.525 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.129 -9.851 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.414 -8.287 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.496 -9.826 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.670 -9.482 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.635 -7.464 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.517 -7.674 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.239 -7.343 -2.848 1.00 0.00 H new ATOM 1143 N ALA A 76 9.205 -12.233 -1.707 1.00 0.00 N ATOM 1144 CA ALA A 76 10.242 -12.860 -0.901 1.00 0.00 C ATOM 1145 C ALA A 76 9.842 -14.260 -0.420 1.00 0.00 C ATOM 1146 O ALA A 76 10.468 -14.801 0.493 1.00 0.00 O ATOM 1147 CB ALA A 76 10.633 -11.935 0.250 1.00 0.00 C ATOM 0 H ALA A 76 9.526 -11.931 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 76 11.120 -13.011 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.410 -12.409 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.009 -10.994 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.760 -11.741 0.874 1.00 0.00 H new ATOM 1153 N GLY A 77 8.804 -14.847 -1.026 1.00 0.00 N ATOM 1154 CA GLY A 77 8.315 -16.164 -0.660 1.00 0.00 C ATOM 1155 C GLY A 77 7.212 -16.089 0.395 1.00 0.00 C ATOM 1156 O GLY A 77 6.752 -17.126 0.870 1.00 0.00 O ATOM 0 H GLY A 77 8.283 -14.412 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.935 -16.670 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.141 -16.765 -0.280 1.00 0.00 H new ATOM 1160 N GLN A 78 6.786 -14.876 0.766 1.00 0.00 N ATOM 1161 CA GLN A 78 5.754 -14.663 1.767 1.00 0.00 C ATOM 1162 C GLN A 78 4.630 -13.803 1.181 1.00 0.00 C ATOM 1163 O GLN A 78 4.880 -12.766 0.571 1.00 0.00 O ATOM 1164 CB GLN A 78 6.439 -14.046 2.992 1.00 0.00 C ATOM 1165 CG GLN A 78 5.455 -13.583 4.066 1.00 0.00 C ATOM 1166 CD GLN A 78 5.581 -12.080 4.261 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.865 -11.603 5.356 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.371 -11.321 3.188 1.00 0.00 N ATOM 0 H GLN A 78 7.156 -14.011 0.371 1.00 0.00 H new ATOM 0 HA GLN A 78 5.274 -15.591 2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.121 -14.778 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.043 -13.197 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.436 -13.838 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.656 -14.100 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.137 -11.754 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.444 -10.306 3.259 1.00 0.00 H new ATOM 1177 N VAL A 79 3.381 -14.239 1.367 1.00 0.00 N ATOM 1178 CA VAL A 79 2.201 -13.577 0.819 1.00 0.00 C ATOM 1179 C VAL A 79 2.026 -12.199 1.443 1.00 0.00 C ATOM 1180 O VAL A 79 2.228 -12.034 2.645 1.00 0.00 O ATOM 1181 CB VAL A 79 0.968 -14.452 1.073 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.257 -13.847 0.395 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.169 -15.855 0.504 1.00 0.00 C ATOM 0 H VAL A 79 3.161 -15.074 1.911 1.00 0.00 H new ATOM 0 HA VAL A 79 2.326 -13.442 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 79 0.822 -14.506 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.126 -14.478 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.439 -12.850 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.083 -13.780 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.281 -16.457 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.338 -15.791 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.032 -16.320 0.980 1.00 0.00 H new ATOM 1193 N LEU A 80 1.651 -11.210 0.627 1.00 0.00 N ATOM 1194 CA LEU A 80 1.383 -9.864 1.114 1.00 0.00 C ATOM 1195 C LEU A 80 -0.103 -9.681 1.393 1.00 0.00 C ATOM 1196 O LEU A 80 -0.940 -10.379 0.827 1.00 0.00 O ATOM 1197 CB LEU A 80 1.861 -8.811 0.111 1.00 0.00 C ATOM 1198 CG LEU A 80 3.336 -8.961 -0.263 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.769 -7.728 -1.049 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.219 -9.073 0.974 1.00 0.00 C ATOM 0 H LEU A 80 1.527 -11.323 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 80 1.936 -9.730 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.255 -8.878 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.698 -7.818 0.531 1.00 0.00 H new ATOM 0 HG LEU A 80 3.447 -9.871 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.820 -7.821 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.165 -7.642 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.632 -6.838 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.260 -9.178 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.108 -8.176 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.921 -9.945 1.556 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.419 -8.727 2.268 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.787 -8.374 2.607 1.00 0.00 C ATOM 1214 C ASP A 81 -1.949 -6.878 2.371 1.00 0.00 C ATOM 1215 O ASP A 81 -1.615 -6.062 3.228 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.085 -8.778 4.051 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.283 -10.287 4.164 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.439 -10.730 3.974 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.284 -10.990 4.436 1.00 0.00 O ATOM 0 H ASP A 81 0.280 -8.174 2.764 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.505 -8.907 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.265 -8.465 4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.980 -8.263 4.400 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.460 -6.522 1.192 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.500 -5.145 0.722 1.00 0.00 C ATOM 1226 C ILE A 82 -3.940 -4.641 0.713 1.00 0.00 C ATOM 1227 O ILE A 82 -4.856 -5.370 0.333 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.827 -5.078 -0.650 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.342 -5.413 -0.455 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.971 -3.689 -1.284 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.321 -5.831 -1.758 1.00 0.00 C ATOM 0 H ILE A 82 -2.860 -7.190 0.534 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.950 -4.484 1.392 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.306 -5.788 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.175 -4.545 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.244 -6.216 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.480 -3.681 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.028 -3.454 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.507 -2.944 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.371 -6.059 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.179 -6.715 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.247 -5.019 -2.481 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.137 -3.391 1.136 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.463 -2.806 1.266 1.00 0.00 C ATOM 1245 C ASN A 83 -5.373 -1.284 1.133 1.00 0.00 C ATOM 1246 O ASN A 83 -4.312 -0.704 1.350 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.032 -3.207 2.628 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.518 -2.904 2.732 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.349 -3.731 2.376 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.865 -1.719 3.218 1.00 0.00 N ATOM 0 H ASN A 83 -3.379 -2.760 1.397 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.123 -3.170 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.866 -4.272 2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.497 -2.676 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.851 -1.472 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.146 -1.055 3.505 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.482 -0.627 0.782 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.546 0.821 0.741 1.00 0.00 C ATOM 1259 C LEU A 84 -6.258 1.376 2.136 1.00 0.00 C ATOM 1260 O LEU A 84 -6.723 0.824 3.130 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.943 1.221 0.261 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.002 2.692 -0.143 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.220 2.906 -1.434 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.451 3.104 -0.369 1.00 0.00 C ATOM 0 H LEU A 84 -7.353 -1.089 0.521 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.803 1.230 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.228 0.599 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.668 1.032 1.053 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.566 3.295 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.266 3.958 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.180 2.616 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.654 2.297 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.490 4.154 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.883 2.494 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.018 2.959 0.550 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.496 2.469 2.223 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.071 3.028 3.501 1.00 0.00 C ATOM 1278 C ALA A 85 -6.205 3.697 4.282 1.00 0.00 C ATOM 1279 O ALA A 85 -5.954 4.230 5.360 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.940 4.028 3.255 1.00 0.00 C ATOM 0 H ALA A 85 -5.159 2.987 1.411 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.728 2.198 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.616 4.451 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.102 3.519 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.296 4.827 2.605 1.00 0.00 H new ATOM 1463 N LYS A 98 -4.842 -15.948 15.548 1.00 0.00 N ATOM 1464 CA LYS A 98 -5.562 -14.817 16.119 1.00 0.00 C ATOM 1465 C LYS A 98 -5.611 -14.895 17.645 1.00 0.00 C ATOM 1466 O LYS A 98 -6.561 -14.418 18.264 1.00 0.00 O ATOM 1467 CB LYS A 98 -6.958 -14.690 15.492 1.00 0.00 C ATOM 1468 CG LYS A 98 -6.880 -14.460 13.976 1.00 0.00 C ATOM 1469 CD LYS A 98 -6.860 -15.773 13.185 1.00 0.00 C ATOM 1470 CE LYS A 98 -6.686 -15.469 11.694 1.00 0.00 C ATOM 1471 NZ LYS A 98 -6.708 -16.708 10.893 1.00 0.00 N ATOM 0 HA LYS A 98 -5.015 -13.906 15.877 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.531 -15.595 15.694 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.493 -13.863 15.959 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.733 -13.861 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.983 -13.886 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.046 -16.408 13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.787 -16.323 13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.481 -14.802 11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.743 -14.946 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.588 -16.473 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.934 -17.332 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.618 -17.193 11.029 1.00 0.00 H new ATOM 1485 N ARG A 99 -4.584 -15.501 18.248 1.00 0.00 N ATOM 1486 CA ARG A 99 -4.462 -15.649 19.694 1.00 0.00 C ATOM 1487 C ARG A 99 -3.027 -15.327 20.111 1.00 0.00 C ATOM 1488 O ARG A 99 -2.154 -15.180 19.257 1.00 0.00 O ATOM 1489 CB ARG A 99 -4.871 -17.073 20.085 1.00 0.00 C ATOM 1490 CG ARG A 99 -5.267 -17.218 21.558 1.00 0.00 C ATOM 1491 CD ARG A 99 -6.479 -16.352 21.905 1.00 0.00 C ATOM 1492 NE ARG A 99 -6.917 -16.596 23.283 1.00 0.00 N ATOM 1493 CZ ARG A 99 -7.903 -15.934 23.891 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -8.579 -14.975 23.260 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -8.214 -16.238 25.146 1.00 0.00 N ATOM 0 H ARG A 99 -3.803 -15.908 17.733 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.123 -14.956 20.214 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.708 -17.385 19.461 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.044 -17.750 19.872 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.492 -18.263 21.773 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.425 -16.936 22.191 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.227 -15.299 21.780 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.295 -16.568 21.216 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.435 -17.322 23.813 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.346 -14.736 22.296 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.330 -14.479 23.741 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.701 -16.971 25.635 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.966 -15.738 25.620 1.00 0.00 H new ATOM 1509 N SER A 100 -2.780 -15.221 21.417 1.00 0.00 N ATOM 1510 CA SER A 100 -1.457 -14.933 21.955 1.00 0.00 C ATOM 1511 C SER A 100 -0.436 -16.014 21.606 1.00 0.00 C ATOM 1512 O SER A 100 0.765 -15.780 21.746 1.00 0.00 O ATOM 1513 CB SER A 100 -1.568 -14.825 23.475 1.00 0.00 C ATOM 1514 OG SER A 100 -2.395 -13.734 23.823 1.00 0.00 O ATOM 0 H SER A 100 -3.498 -15.334 22.132 1.00 0.00 H new ATOM 0 HA SER A 100 -1.108 -14.000 21.511 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.978 -15.748 23.884 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.578 -14.695 23.912 1.00 0.00 H new ATOM 0 HG SER A 100 -2.462 -13.673 24.799 1.00 0.00 H new ATOM 1520 N ALA A 101 -0.900 -17.187 21.157 1.00 0.00 N ATOM 1521 CA ALA A 101 -0.054 -18.337 20.854 1.00 0.00 C ATOM 1522 C ALA A 101 0.860 -18.709 22.027 1.00 0.00 C ATOM 1523 O ALA A 101 1.843 -19.429 21.850 1.00 0.00 O ATOM 1524 CB ALA A 101 0.713 -18.095 19.554 1.00 0.00 C ATOM 0 H ALA A 101 -1.891 -17.361 20.993 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.694 -19.206 20.703 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.342 -18.959 19.336 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.007 -17.945 18.737 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.338 -17.209 19.660 1.00 0.00 H new ATOM 1530 N ALA A 102 0.537 -18.214 23.224 1.00 0.00 N ATOM 1531 CA ALA A 102 1.316 -18.447 24.429 1.00 0.00 C ATOM 1532 C ALA A 102 0.416 -18.464 25.668 1.00 0.00 C ATOM 1533 O ALA A 102 0.908 -18.386 26.792 1.00 0.00 O ATOM 1534 CB ALA A 102 2.394 -17.367 24.545 1.00 0.00 C ATOM 0 H ALA A 102 -0.286 -17.632 23.379 1.00 0.00 H new ATOM 0 HA ALA A 102 1.795 -19.424 24.365 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.982 -17.536 25.447 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.047 -17.409 23.673 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.922 -16.386 24.598 1.00 0.00 H new ATOM 1540 N GLU A 103 -0.902 -18.566 25.465 1.00 0.00 N ATOM 1541 CA GLU A 103 -1.874 -18.508 26.550 1.00 0.00 C ATOM 1542 C GLU A 103 -1.797 -19.729 27.470 1.00 0.00 C ATOM 1543 O GLU A 103 -2.491 -19.778 28.485 1.00 0.00 O ATOM 1544 CB GLU A 103 -3.280 -18.359 25.965 1.00 0.00 C ATOM 1545 CG GLU A 103 -3.616 -19.496 24.995 1.00 0.00 C ATOM 1546 CD GLU A 103 -5.085 -19.473 24.571 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -5.790 -18.504 24.937 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -5.499 -20.431 23.879 1.00 0.00 O ATOM 0 H GLU A 103 -1.320 -18.691 24.543 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.637 -17.640 27.166 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.010 -18.344 26.774 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.359 -17.404 25.446 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.983 -19.418 24.111 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.390 -20.453 25.466 1.00 0.00 H new ATOM 1555 N MET A 104 -0.959 -20.708 27.124 1.00 0.00 N ATOM 1556 CA MET A 104 -0.765 -21.918 27.916 1.00 0.00 C ATOM 1557 C MET A 104 0.577 -21.895 28.656 1.00 0.00 C ATOM 1558 O MET A 104 0.953 -22.890 29.271 1.00 0.00 O ATOM 1559 CB MET A 104 -0.875 -23.150 27.014 1.00 0.00 C ATOM 1560 CG MET A 104 -2.282 -23.248 26.424 1.00 0.00 C ATOM 1561 SD MET A 104 -2.524 -24.641 25.289 1.00 0.00 S ATOM 1562 CE MET A 104 -1.462 -24.097 23.927 1.00 0.00 C ATOM 0 H MET A 104 -0.391 -20.680 26.277 1.00 0.00 H new ATOM 0 HA MET A 104 -1.548 -21.964 28.673 1.00 0.00 H new ATOM 0 HB2 MET A 104 -0.140 -23.089 26.212 1.00 0.00 H new ATOM 0 HB3 MET A 104 -0.649 -24.050 27.586 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.000 -23.331 27.240 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.506 -22.321 25.895 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.685 -24.683 23.035 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.644 -23.042 23.723 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.417 -24.238 24.202 1.00 0.00 H new ATOM 1572 N TYR A 105 1.298 -20.770 28.598 1.00 0.00 N ATOM 1573 CA TYR A 105 2.611 -20.641 29.216 1.00 0.00 C ATOM 1574 C TYR A 105 2.742 -19.340 30.010 1.00 0.00 C ATOM 1575 O TYR A 105 3.779 -19.103 30.629 1.00 0.00 O ATOM 1576 CB TYR A 105 3.686 -20.724 28.129 1.00 0.00 C ATOM 1577 CG TYR A 105 3.569 -21.952 27.253 1.00 0.00 C ATOM 1578 CD1 TYR A 105 4.145 -23.164 27.658 1.00 0.00 C ATOM 1579 CD2 TYR A 105 2.878 -21.875 26.035 1.00 0.00 C ATOM 1580 CE1 TYR A 105 4.030 -24.304 26.847 1.00 0.00 C ATOM 1581 CE2 TYR A 105 2.758 -23.007 25.219 1.00 0.00 C ATOM 1582 CZ TYR A 105 3.332 -24.228 25.624 1.00 0.00 C ATOM 1583 OH TYR A 105 3.219 -25.334 24.835 1.00 0.00 O ATOM 0 H TYR A 105 0.983 -19.926 28.120 1.00 0.00 H new ATOM 0 HA TYR A 105 2.742 -21.458 29.926 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.626 -19.834 27.502 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.669 -20.717 28.600 1.00 0.00 H new ATOM 0 HD1 TYR A 105 4.678 -23.221 28.596 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.437 -20.939 25.725 1.00 0.00 H new ATOM 0 HE1 TYR A 105 4.475 -25.237 27.159 1.00 0.00 H new ATOM 0 HE2 TYR A 105 2.226 -22.944 24.281 1.00 0.00 H new ATOM 0 HH TYR A 105 2.707 -25.110 24.030 1.00 0.00 H new ATOM 1593 N GLY A 106 1.699 -18.500 30.002 1.00 0.00 N ATOM 1594 CA GLY A 106 1.689 -17.239 30.733 1.00 0.00 C ATOM 1595 C GLY A 106 2.701 -16.253 30.158 1.00 0.00 C ATOM 1596 O GLY A 106 3.398 -16.572 29.197 1.00 0.00 O ATOM 1597 OXT GLY A 106 2.839 -15.138 30.631 1.00 0.00 O ATOM 0 H GLY A 106 0.839 -18.682 29.485 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.691 -16.802 30.694 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.915 -17.424 31.783 1.00 0.00 H new