USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 664 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 50 TYR OH : rot 180:sc= -0.227 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 164:sc= -0.0166 (180deg=-0.202) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.194 K(o=-0.19,f=-5.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2 X(o=-2,f=-2.3) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.064 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0643) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.24 USER MOD Single : A 76 ASN : amide:sc= -0.0207 X(o=-0.021,f=0.093) USER MOD Single : A 78 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 85 HIS : no HD1:sc=-0.00277 X(o=-0.0028,f=-0.25) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.3) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -3.49! C(o=-3.5!,f=-5!) USER MOD Single : A 105 HIS : no HE2:sc= 0.0159 X(o=0.016,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -6.875 1.563 2.249 1.00 0.00 N ATOM 197 CA VAL A 16 -5.556 0.949 2.157 1.00 0.00 C ATOM 198 C VAL A 16 -5.601 -0.514 2.582 1.00 0.00 C ATOM 199 O VAL A 16 -6.236 -0.865 3.577 1.00 0.00 O ATOM 200 CB VAL A 16 -4.528 1.694 3.029 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.422 0.750 3.476 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.953 2.883 2.274 1.00 0.00 C ATOM 0 HA VAL A 16 -5.249 1.012 1.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.035 2.068 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.705 1.294 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.853 -0.066 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.914 0.344 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.228 3.398 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.461 2.534 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.757 3.570 2.010 1.00 0.00 H new ATOM 212 N THR A 17 -4.921 -1.367 1.822 1.00 0.00 N ATOM 213 CA THR A 17 -4.883 -2.793 2.119 1.00 0.00 C ATOM 214 C THR A 17 -3.500 -3.375 1.846 1.00 0.00 C ATOM 215 O THR A 17 -2.899 -3.107 0.807 1.00 0.00 O ATOM 216 CB THR A 17 -5.925 -3.567 1.291 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.583 -3.517 -0.099 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.317 -2.989 1.496 1.00 0.00 C ATOM 0 H THR A 17 -4.389 -1.094 0.996 1.00 0.00 H new ATOM 0 HA THR A 17 -5.118 -2.901 3.178 1.00 0.00 H new ATOM 0 HB THR A 17 -5.925 -4.604 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.250 -4.013 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.036 -3.552 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.587 -3.055 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.327 -1.945 1.184 1.00 0.00 H new ATOM 226 N GLU A 18 -3.003 -4.173 2.786 1.00 0.00 N ATOM 227 CA GLU A 18 -1.690 -4.792 2.645 1.00 0.00 C ATOM 228 C GLU A 18 -1.821 -6.278 2.322 1.00 0.00 C ATOM 229 O GLU A 18 -2.787 -6.927 2.723 1.00 0.00 O ATOM 230 CB GLU A 18 -0.875 -4.608 3.926 1.00 0.00 C ATOM 231 CG GLU A 18 -0.253 -3.228 4.058 1.00 0.00 C ATOM 232 CD GLU A 18 -1.161 -2.244 4.770 1.00 0.00 C ATOM 233 OE1 GLU A 18 -2.396 -2.367 4.629 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.636 -1.351 5.468 1.00 0.00 O ATOM 0 H GLU A 18 -3.489 -4.406 3.652 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.173 -4.302 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.519 -4.791 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.085 -5.358 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.688 -3.308 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.015 -2.845 3.066 1.00 0.00 H new ATOM 241 N GLU A 19 -0.843 -6.808 1.595 1.00 0.00 N ATOM 242 CA GLU A 19 -0.850 -8.217 1.217 1.00 0.00 C ATOM 243 C GLU A 19 0.567 -8.717 0.957 1.00 0.00 C ATOM 244 O GLU A 19 1.423 -7.970 0.484 1.00 0.00 O ATOM 245 CB GLU A 19 -1.715 -8.430 -0.027 1.00 0.00 C ATOM 246 CG GLU A 19 -1.669 -9.850 -0.565 1.00 0.00 C ATOM 247 CD GLU A 19 -2.368 -10.841 0.345 1.00 0.00 C ATOM 248 OE1 GLU A 19 -1.708 -11.370 1.264 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.575 -11.087 0.139 1.00 0.00 O ATOM 0 H GLU A 19 -0.036 -6.284 1.256 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.271 -8.787 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.747 -8.174 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.388 -7.744 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.134 -9.877 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.630 -10.152 -0.695 1.00 0.00 H new ATOM 256 N GLU A 20 0.807 -9.987 1.270 1.00 0.00 N ATOM 257 CA GLU A 20 2.121 -10.587 1.071 1.00 0.00 C ATOM 258 C GLU A 20 2.205 -11.277 -0.287 1.00 0.00 C ATOM 259 O GLU A 20 1.511 -12.263 -0.538 1.00 0.00 O ATOM 260 CB GLU A 20 2.422 -11.592 2.185 1.00 0.00 C ATOM 261 CG GLU A 20 3.902 -11.731 2.496 1.00 0.00 C ATOM 262 CD GLU A 20 4.182 -12.797 3.538 1.00 0.00 C ATOM 263 OE1 GLU A 20 3.346 -13.713 3.690 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.237 -12.715 4.202 1.00 0.00 O ATOM 0 H GLU A 20 0.109 -10.619 1.662 1.00 0.00 H new ATOM 0 HA GLU A 20 2.863 -9.789 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.896 -11.287 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.026 -12.567 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.441 -11.973 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.287 -10.774 2.848 1.00 0.00 H new ATOM 271 N ILE A 21 3.058 -10.752 -1.160 1.00 0.00 N ATOM 272 CA ILE A 21 3.232 -11.317 -2.492 1.00 0.00 C ATOM 273 C ILE A 21 4.428 -12.262 -2.536 1.00 0.00 C ATOM 274 O ILE A 21 5.577 -11.825 -2.576 1.00 0.00 O ATOM 275 CB ILE A 21 3.424 -10.215 -3.551 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.271 -9.211 -3.488 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.526 -10.827 -4.940 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.960 -9.765 -3.998 1.00 0.00 C ATOM 0 H ILE A 21 3.639 -9.936 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 21 2.323 -11.874 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 21 4.353 -9.686 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.141 -8.883 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.535 -8.329 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.661 -10.036 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.377 -11.507 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.612 -11.378 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.188 -8.999 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.073 -10.067 -5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.673 -10.629 -3.399 1.00 0.00 H new ATOM 290 N ASN A 22 4.149 -13.562 -2.530 1.00 0.00 N ATOM 291 CA ASN A 22 5.202 -14.570 -2.570 1.00 0.00 C ATOM 292 C ASN A 22 5.562 -14.923 -4.010 1.00 0.00 C ATOM 293 O ASN A 22 4.797 -15.592 -4.707 1.00 0.00 O ATOM 294 CB ASN A 22 4.761 -15.828 -1.819 1.00 0.00 C ATOM 295 CG ASN A 22 5.077 -15.759 -0.338 1.00 0.00 C ATOM 296 OD1 ASN A 22 5.985 -16.436 0.146 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.329 -14.938 0.389 1.00 0.00 N ATOM 0 H ASN A 22 3.203 -13.942 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 22 6.086 -14.156 -2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.689 -15.970 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.254 -16.698 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.496 -14.849 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.587 -14.396 -0.055 1.00 0.00 H new ATOM 304 N LEU A 23 6.731 -14.470 -4.450 1.00 0.00 N ATOM 305 CA LEU A 23 7.194 -14.739 -5.807 1.00 0.00 C ATOM 306 C LEU A 23 8.519 -15.494 -5.791 1.00 0.00 C ATOM 307 O LEU A 23 9.341 -15.309 -4.893 1.00 0.00 O ATOM 308 CB LEU A 23 7.350 -13.429 -6.582 1.00 0.00 C ATOM 309 CG LEU A 23 6.069 -12.847 -7.181 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.332 -11.469 -7.768 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.504 -13.781 -8.241 1.00 0.00 C ATOM 0 H LEU A 23 7.375 -13.915 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 23 6.449 -15.361 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.786 -12.685 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.064 -13.591 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 23 5.332 -12.745 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.409 -11.071 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.690 -10.802 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.086 -11.545 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.593 -13.351 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.237 -13.915 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.277 -14.747 -7.791 1.00 0.00 H new ATOM 323 N THR A 24 8.720 -16.347 -6.791 1.00 0.00 N ATOM 324 CA THR A 24 9.945 -17.130 -6.893 1.00 0.00 C ATOM 325 C THR A 24 10.864 -16.574 -7.975 1.00 0.00 C ATOM 326 O THR A 24 10.402 -16.108 -9.016 1.00 0.00 O ATOM 327 CB THR A 24 9.643 -18.608 -7.201 1.00 0.00 C ATOM 328 OG1 THR A 24 8.731 -19.134 -6.231 1.00 0.00 O ATOM 329 CG2 THR A 24 10.921 -19.433 -7.202 1.00 0.00 C ATOM 0 H THR A 24 8.050 -16.513 -7.542 1.00 0.00 H new ATOM 0 HA THR A 24 10.444 -17.063 -5.926 1.00 0.00 H new ATOM 0 HB THR A 24 9.192 -18.665 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.543 -20.074 -6.435 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.682 -20.474 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.602 -19.049 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.396 -19.369 -6.223 1.00 0.00 H new ATOM 337 N ARG A 25 12.168 -16.628 -7.722 1.00 0.00 N ATOM 338 CA ARG A 25 13.152 -16.130 -8.675 1.00 0.00 C ATOM 339 C ARG A 25 13.002 -16.825 -10.026 1.00 0.00 C ATOM 340 O ARG A 25 12.832 -18.042 -10.094 1.00 0.00 O ATOM 341 CB ARG A 25 14.568 -16.341 -8.136 1.00 0.00 C ATOM 342 CG ARG A 25 15.658 -16.015 -9.144 1.00 0.00 C ATOM 343 CD ARG A 25 16.938 -16.782 -8.848 1.00 0.00 C ATOM 344 NE ARG A 25 18.120 -16.092 -9.357 1.00 0.00 N ATOM 345 CZ ARG A 25 19.363 -16.420 -9.024 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.585 -17.423 -8.185 1.00 0.00 N ATOM 347 NH2 ARG A 25 20.387 -15.744 -9.530 1.00 0.00 N ATOM 0 H ARG A 25 12.567 -17.012 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 25 12.978 -15.063 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.707 -15.721 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.676 -17.378 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.311 -16.258 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.862 -14.944 -9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.036 -16.922 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.877 -17.774 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 25 17.983 -15.315 -10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.800 -17.944 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.541 -17.673 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.220 -14.972 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.341 -15.997 -9.274 1.00 0.00 H new ATOM 400 N LEU A 30 13.948 -11.471 -10.938 1.00 0.00 N ATOM 401 CA LEU A 30 12.508 -11.244 -10.984 1.00 0.00 C ATOM 402 C LEU A 30 12.065 -10.838 -12.386 1.00 0.00 C ATOM 403 O LEU A 30 12.876 -10.765 -13.308 1.00 0.00 O ATOM 404 CB LEU A 30 12.110 -10.162 -9.978 1.00 0.00 C ATOM 405 CG LEU A 30 12.407 -10.468 -8.510 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.179 -9.235 -7.650 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.547 -11.626 -8.023 1.00 0.00 C ATOM 0 HA LEU A 30 12.010 -12.177 -10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.623 -9.238 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.041 -9.975 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 30 13.455 -10.757 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.396 -9.473 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.837 -8.432 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.141 -8.915 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.771 -11.831 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.494 -11.365 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.760 -12.513 -8.620 1.00 0.00 H new ATOM 419 N GLY A 31 10.771 -10.574 -12.539 1.00 0.00 N ATOM 420 CA GLY A 31 10.242 -10.177 -13.831 1.00 0.00 C ATOM 421 C GLY A 31 9.470 -8.874 -13.766 1.00 0.00 C ATOM 422 O GLY A 31 8.334 -8.793 -14.233 1.00 0.00 O ATOM 0 H GLY A 31 10.079 -10.628 -11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.063 -10.074 -14.540 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.590 -10.964 -14.210 1.00 0.00 H new ATOM 426 N PHE A 32 10.087 -7.851 -13.185 1.00 0.00 N ATOM 427 CA PHE A 32 9.450 -6.545 -13.058 1.00 0.00 C ATOM 428 C PHE A 32 10.435 -5.508 -12.526 1.00 0.00 C ATOM 429 O PHE A 32 11.309 -5.823 -11.720 1.00 0.00 O ATOM 430 CB PHE A 32 8.236 -6.635 -12.130 1.00 0.00 C ATOM 431 CG PHE A 32 8.593 -6.950 -10.706 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.693 -8.264 -10.277 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.827 -5.933 -9.795 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.021 -8.558 -8.967 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.156 -6.220 -8.484 1.00 0.00 C ATOM 436 CZ PHE A 32 9.252 -7.534 -8.069 1.00 0.00 C ATOM 0 H PHE A 32 11.028 -7.901 -12.794 1.00 0.00 H new ATOM 0 HA PHE A 32 9.120 -6.232 -14.048 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.695 -5.689 -12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.558 -7.402 -12.505 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.512 -9.068 -10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.751 -4.904 -10.113 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.097 -9.586 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.338 -5.418 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.507 -7.760 -7.044 1.00 0.00 H new ATOM 446 N ASN A 33 10.286 -4.270 -12.986 1.00 0.00 N ATOM 447 CA ASN A 33 11.163 -3.186 -12.558 1.00 0.00 C ATOM 448 C ASN A 33 10.572 -2.448 -11.361 1.00 0.00 C ATOM 449 O ASN A 33 9.353 -2.373 -11.206 1.00 0.00 O ATOM 450 CB ASN A 33 11.397 -2.207 -13.710 1.00 0.00 C ATOM 451 CG ASN A 33 12.740 -1.509 -13.613 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.123 -1.023 -12.548 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.462 -1.456 -14.726 1.00 0.00 N ATOM 0 H ASN A 33 9.567 -3.993 -13.654 1.00 0.00 H new ATOM 0 HA ASN A 33 12.117 -3.620 -12.259 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.337 -2.744 -14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.603 -1.461 -13.716 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.374 -0.999 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.105 -1.872 -15.586 1.00 0.00 H new ATOM 460 N ILE A 34 11.444 -1.905 -10.518 1.00 0.00 N ATOM 461 CA ILE A 34 11.008 -1.171 -9.336 1.00 0.00 C ATOM 462 C ILE A 34 11.603 0.232 -9.310 1.00 0.00 C ATOM 463 O ILE A 34 12.610 0.504 -9.964 1.00 0.00 O ATOM 464 CB ILE A 34 11.399 -1.907 -8.041 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.887 -2.263 -8.060 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.551 -3.159 -7.867 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.458 -2.544 -6.688 1.00 0.00 C ATOM 0 H ILE A 34 12.456 -1.959 -10.631 1.00 0.00 H new ATOM 0 HA ILE A 34 9.922 -1.101 -9.390 1.00 0.00 H new ATOM 0 HB ILE A 34 11.214 -1.246 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.035 -3.138 -8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.443 -1.443 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.839 -3.669 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.498 -2.881 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.708 -3.825 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.516 -2.789 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.342 -1.662 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.928 -3.383 -6.238 1.00 0.00 H new ATOM 479 N VAL A 35 10.975 1.121 -8.547 1.00 0.00 N ATOM 480 CA VAL A 35 11.444 2.497 -8.432 1.00 0.00 C ATOM 481 C VAL A 35 11.451 2.955 -6.977 1.00 0.00 C ATOM 482 O VAL A 35 10.416 2.964 -6.313 1.00 0.00 O ATOM 483 CB VAL A 35 10.570 3.459 -9.257 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.616 3.091 -10.732 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.138 3.452 -8.743 1.00 0.00 C ATOM 0 H VAL A 35 10.140 0.913 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 35 12.462 2.518 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 35 10.967 4.468 -9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.992 3.782 -11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.644 3.152 -11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.245 2.075 -10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.535 4.138 -9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.728 2.445 -8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.124 3.768 -7.700 1.00 0.00 H new ATOM 495 N GLY A 36 12.627 3.337 -6.488 1.00 0.00 N ATOM 496 CA GLY A 36 12.748 3.792 -5.116 1.00 0.00 C ATOM 497 C GLY A 36 14.111 4.383 -4.818 1.00 0.00 C ATOM 498 O GLY A 36 14.991 4.397 -5.679 1.00 0.00 O ATOM 0 H GLY A 36 13.498 3.339 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.980 4.539 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.563 2.956 -4.442 1.00 0.00 H new ATOM 502 N GLY A 37 14.288 4.874 -3.595 1.00 0.00 N ATOM 503 CA GLY A 37 15.556 5.465 -3.209 1.00 0.00 C ATOM 504 C GLY A 37 15.428 6.932 -2.852 1.00 0.00 C ATOM 505 O GLY A 37 14.948 7.735 -3.654 1.00 0.00 O ATOM 0 H GLY A 37 13.576 4.873 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.962 4.921 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.269 5.354 -4.026 1.00 0.00 H new ATOM 509 N THR A 38 15.856 7.286 -1.644 1.00 0.00 N ATOM 510 CA THR A 38 15.784 8.666 -1.181 1.00 0.00 C ATOM 511 C THR A 38 16.167 9.638 -2.290 1.00 0.00 C ATOM 512 O THR A 38 15.697 10.776 -2.321 1.00 0.00 O ATOM 513 CB THR A 38 16.703 8.900 0.032 1.00 0.00 C ATOM 514 OG1 THR A 38 18.020 8.414 -0.251 1.00 0.00 O ATOM 515 CG2 THR A 38 16.155 8.204 1.269 1.00 0.00 C ATOM 0 H THR A 38 16.256 6.635 -0.968 1.00 0.00 H new ATOM 0 HA THR A 38 14.751 8.847 -0.884 1.00 0.00 H new ATOM 0 HB THR A 38 16.745 9.972 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.599 8.568 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.821 8.384 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.164 8.597 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.086 7.132 1.083 1.00 0.00 H new ATOM 523 N ASP A 39 17.022 9.184 -3.200 1.00 0.00 N ATOM 524 CA ASP A 39 17.467 10.014 -4.313 1.00 0.00 C ATOM 525 C ASP A 39 16.571 9.815 -5.532 1.00 0.00 C ATOM 526 O ASP A 39 16.285 10.762 -6.264 1.00 0.00 O ATOM 527 CB ASP A 39 18.917 9.688 -4.672 1.00 0.00 C ATOM 528 CG ASP A 39 19.434 10.535 -5.818 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.028 11.712 -5.916 1.00 0.00 O ATOM 530 OD2 ASP A 39 20.245 10.021 -6.618 1.00 0.00 O ATOM 0 H ASP A 39 17.421 8.245 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 39 17.403 11.057 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.548 9.842 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.994 8.634 -4.939 1.00 0.00 H new ATOM 535 N GLN A 40 16.133 8.578 -5.742 1.00 0.00 N ATOM 536 CA GLN A 40 15.271 8.256 -6.873 1.00 0.00 C ATOM 537 C GLN A 40 13.826 8.069 -6.421 1.00 0.00 C ATOM 538 O GLN A 40 13.067 7.319 -7.033 1.00 0.00 O ATOM 539 CB GLN A 40 15.766 6.989 -7.573 1.00 0.00 C ATOM 540 CG GLN A 40 17.147 7.136 -8.192 1.00 0.00 C ATOM 541 CD GLN A 40 17.115 7.855 -9.526 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.396 9.051 -9.607 1.00 0.00 O ATOM 543 NE2 GLN A 40 16.772 7.127 -10.583 1.00 0.00 N ATOM 0 H GLN A 40 16.360 7.783 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 40 15.308 9.089 -7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.785 6.170 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.055 6.713 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.793 7.682 -7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.588 6.148 -8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.547 6.139 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.734 7.556 -11.507 1.00 0.00 H new ATOM 552 N GLN A 41 13.454 8.757 -5.346 1.00 0.00 N ATOM 553 CA GLN A 41 12.100 8.666 -4.812 1.00 0.00 C ATOM 554 C GLN A 41 11.067 8.932 -5.901 1.00 0.00 C ATOM 555 O GLN A 41 11.145 9.934 -6.614 1.00 0.00 O ATOM 556 CB GLN A 41 11.915 9.658 -3.663 1.00 0.00 C ATOM 557 CG GLN A 41 12.775 9.349 -2.448 1.00 0.00 C ATOM 558 CD GLN A 41 12.534 10.313 -1.302 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.477 10.808 -0.684 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.267 10.584 -1.013 1.00 0.00 N ATOM 0 H GLN A 41 14.071 9.383 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 41 11.952 7.654 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.150 10.661 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.867 9.663 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.571 8.332 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.826 9.385 -2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.517 10.151 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.043 11.225 -0.252 1.00 0.00 H new ATOM 569 N TYR A 42 10.099 8.030 -6.025 1.00 0.00 N ATOM 570 CA TYR A 42 9.051 8.167 -7.029 1.00 0.00 C ATOM 571 C TYR A 42 8.158 9.366 -6.726 1.00 0.00 C ATOM 572 O TYR A 42 7.407 9.829 -7.584 1.00 0.00 O ATOM 573 CB TYR A 42 8.208 6.892 -7.093 1.00 0.00 C ATOM 574 CG TYR A 42 7.338 6.802 -8.326 1.00 0.00 C ATOM 575 CD1 TYR A 42 7.832 6.275 -9.513 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.021 7.245 -8.304 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.040 6.193 -10.642 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.221 7.164 -9.428 1.00 0.00 C ATOM 579 CZ TYR A 42 5.736 6.638 -10.595 1.00 0.00 C ATOM 580 OH TYR A 42 4.944 6.556 -11.717 1.00 0.00 O ATOM 0 H TYR A 42 10.019 7.196 -5.443 1.00 0.00 H new ATOM 0 HA TYR A 42 9.528 8.329 -7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.870 6.027 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.575 6.840 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.852 5.924 -9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.616 7.660 -7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.440 5.782 -11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.199 7.510 -9.393 1.00 0.00 H new ATOM 0 HH TYR A 42 4.053 6.911 -11.515 1.00 0.00 H new ATOM 590 N VAL A 43 8.246 9.864 -5.497 1.00 0.00 N ATOM 591 CA VAL A 43 7.448 11.011 -5.078 1.00 0.00 C ATOM 592 C VAL A 43 8.093 11.728 -3.898 1.00 0.00 C ATOM 593 O VAL A 43 8.718 11.100 -3.043 1.00 0.00 O ATOM 594 CB VAL A 43 6.019 10.588 -4.689 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.055 11.754 -4.847 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.570 9.398 -5.523 1.00 0.00 C ATOM 0 H VAL A 43 8.862 9.492 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 43 7.399 11.690 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 43 6.020 10.288 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.051 11.436 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.368 12.575 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.054 12.088 -5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.558 9.113 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.584 9.668 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.246 8.559 -5.354 1.00 0.00 H new ATOM 606 N SER A 44 7.937 13.047 -3.856 1.00 0.00 N ATOM 607 CA SER A 44 8.508 13.851 -2.782 1.00 0.00 C ATOM 608 C SER A 44 8.025 13.360 -1.421 1.00 0.00 C ATOM 609 O SER A 44 8.723 13.495 -0.417 1.00 0.00 O ATOM 610 CB SER A 44 8.137 15.324 -2.966 1.00 0.00 C ATOM 611 OG SER A 44 9.124 16.173 -2.407 1.00 0.00 O ATOM 0 H SER A 44 7.420 13.582 -4.554 1.00 0.00 H new ATOM 0 HA SER A 44 9.592 13.749 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.023 15.544 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.174 15.521 -2.495 1.00 0.00 H new ATOM 0 HG SER A 44 8.864 17.109 -2.539 1.00 0.00 H new ATOM 617 N ASN A 45 6.825 12.789 -1.396 1.00 0.00 N ATOM 618 CA ASN A 45 6.247 12.278 -0.159 1.00 0.00 C ATOM 619 C ASN A 45 6.335 10.756 -0.105 1.00 0.00 C ATOM 620 O ASN A 45 5.845 10.128 0.833 1.00 0.00 O ATOM 621 CB ASN A 45 4.787 12.720 -0.032 1.00 0.00 C ATOM 622 CG ASN A 45 4.654 14.110 0.559 1.00 0.00 C ATOM 623 OD1 ASN A 45 4.207 14.274 1.695 1.00 0.00 O ATOM 624 ND2 ASN A 45 5.042 15.120 -0.211 1.00 0.00 N ATOM 0 H ASN A 45 6.234 12.669 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 45 6.818 12.687 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.317 12.700 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.248 12.009 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.976 16.078 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.406 14.938 -1.146 1.00 0.00 H new ATOM 631 N ASP A 46 6.963 10.170 -1.118 1.00 0.00 N ATOM 632 CA ASP A 46 7.118 8.721 -1.187 1.00 0.00 C ATOM 633 C ASP A 46 8.590 8.336 -1.294 1.00 0.00 C ATOM 634 O ASP A 46 9.243 8.615 -2.300 1.00 0.00 O ATOM 635 CB ASP A 46 6.343 8.160 -2.380 1.00 0.00 C ATOM 636 CG ASP A 46 4.896 8.613 -2.395 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.562 9.558 -1.650 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.098 8.024 -3.154 1.00 0.00 O ATOM 0 H ASP A 46 7.373 10.676 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 46 6.715 8.293 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.828 8.473 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.380 7.071 -2.354 1.00 0.00 H new ATOM 643 N SER A 47 9.107 7.695 -0.251 1.00 0.00 N ATOM 644 CA SER A 47 10.503 7.276 -0.226 1.00 0.00 C ATOM 645 C SER A 47 10.613 5.760 -0.103 1.00 0.00 C ATOM 646 O SER A 47 11.524 5.242 0.542 1.00 0.00 O ATOM 647 CB SER A 47 11.238 7.948 0.936 1.00 0.00 C ATOM 648 OG SER A 47 10.591 7.684 2.169 1.00 0.00 O ATOM 0 H SER A 47 8.580 7.454 0.588 1.00 0.00 H new ATOM 0 HA SER A 47 10.965 7.581 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.266 7.588 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.283 9.024 0.768 1.00 0.00 H new ATOM 0 HG SER A 47 11.081 8.123 2.896 1.00 0.00 H new ATOM 654 N GLY A 48 9.678 5.052 -0.730 1.00 0.00 N ATOM 655 CA GLY A 48 9.687 3.602 -0.680 1.00 0.00 C ATOM 656 C GLY A 48 9.927 2.976 -2.039 1.00 0.00 C ATOM 657 O GLY A 48 10.329 3.659 -2.982 1.00 0.00 O ATOM 0 H GLY A 48 8.915 5.457 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.462 3.270 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.735 3.249 -0.284 1.00 0.00 H new ATOM 661 N ILE A 49 9.682 1.674 -2.141 1.00 0.00 N ATOM 662 CA ILE A 49 9.875 0.957 -3.395 1.00 0.00 C ATOM 663 C ILE A 49 8.538 0.617 -4.045 1.00 0.00 C ATOM 664 O ILE A 49 7.624 0.120 -3.386 1.00 0.00 O ATOM 665 CB ILE A 49 10.676 -0.341 -3.184 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.735 -0.142 -2.097 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.324 -0.782 -4.488 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.612 1.069 -2.324 1.00 0.00 C ATOM 0 H ILE A 49 9.350 1.094 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 49 10.438 1.618 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 49 9.991 -1.124 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.239 -0.046 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.363 -1.031 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.887 -1.701 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.552 -0.959 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.999 -0.002 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.339 1.148 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.136 0.966 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.994 1.967 -2.346 1.00 0.00 H new ATOM 680 N TYR A 50 8.432 0.885 -5.342 1.00 0.00 N ATOM 681 CA TYR A 50 7.206 0.608 -6.082 1.00 0.00 C ATOM 682 C TYR A 50 7.507 -0.158 -7.366 1.00 0.00 C ATOM 683 O TYR A 50 8.657 -0.493 -7.648 1.00 0.00 O ATOM 684 CB TYR A 50 6.478 1.912 -6.411 1.00 0.00 C ATOM 685 CG TYR A 50 6.134 2.738 -5.192 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.128 3.355 -4.443 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.814 2.901 -4.790 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.818 4.110 -3.328 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.494 3.655 -3.677 1.00 0.00 C ATOM 690 CZ TYR A 50 5.500 4.257 -2.949 1.00 0.00 C ATOM 691 OH TYR A 50 5.187 5.009 -1.840 1.00 0.00 O ATOM 0 H TYR A 50 9.180 1.294 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 50 6.564 -0.009 -5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.101 2.507 -7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.561 1.680 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.161 3.243 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.025 2.430 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.603 4.582 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.463 3.772 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 50 4.216 5.013 -1.711 1.00 0.00 H new ATOM 701 N VAL A 51 6.463 -0.431 -8.143 1.00 0.00 N ATOM 702 CA VAL A 51 6.614 -1.156 -9.399 1.00 0.00 C ATOM 703 C VAL A 51 6.244 -0.277 -10.588 1.00 0.00 C ATOM 704 O VAL A 51 5.073 0.038 -10.800 1.00 0.00 O ATOM 705 CB VAL A 51 5.742 -2.426 -9.422 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.998 -3.226 -10.690 1.00 0.00 C ATOM 707 CG2 VAL A 51 6.002 -3.273 -8.186 1.00 0.00 C ATOM 0 H VAL A 51 5.504 -0.161 -7.925 1.00 0.00 H new ATOM 0 HA VAL A 51 7.663 -1.443 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 51 4.694 -2.127 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.374 -4.119 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.757 -2.616 -11.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.048 -3.517 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.378 -4.166 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.052 -3.565 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.763 -2.696 -7.293 1.00 0.00 H new ATOM 717 N SER A 52 7.250 0.116 -11.362 1.00 0.00 N ATOM 718 CA SER A 52 7.032 0.962 -12.530 1.00 0.00 C ATOM 719 C SER A 52 6.477 0.148 -13.695 1.00 0.00 C ATOM 720 O SER A 52 5.541 0.572 -14.373 1.00 0.00 O ATOM 721 CB SER A 52 8.338 1.642 -12.945 1.00 0.00 C ATOM 722 OG SER A 52 9.285 0.692 -13.402 1.00 0.00 O ATOM 0 H SER A 52 8.225 -0.138 -11.202 1.00 0.00 H new ATOM 0 HA SER A 52 6.302 1.726 -12.263 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.139 2.369 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.750 2.193 -12.099 1.00 0.00 H new ATOM 0 HG SER A 52 10.110 1.152 -13.663 1.00 0.00 H new ATOM 728 N ARG A 53 7.061 -1.025 -13.920 1.00 0.00 N ATOM 729 CA ARG A 53 6.627 -1.899 -15.003 1.00 0.00 C ATOM 730 C ARG A 53 6.859 -3.364 -14.646 1.00 0.00 C ATOM 731 O ARG A 53 7.735 -3.685 -13.842 1.00 0.00 O ATOM 732 CB ARG A 53 7.370 -1.554 -16.295 1.00 0.00 C ATOM 733 CG ARG A 53 6.566 -1.833 -17.554 1.00 0.00 C ATOM 734 CD ARG A 53 5.496 -0.777 -17.777 1.00 0.00 C ATOM 735 NE ARG A 53 5.091 -0.695 -19.178 1.00 0.00 N ATOM 736 CZ ARG A 53 4.001 -0.059 -19.592 1.00 0.00 C ATOM 737 NH1 ARG A 53 3.211 0.548 -18.717 1.00 0.00 N ATOM 738 NH2 ARG A 53 3.699 -0.028 -20.884 1.00 0.00 N ATOM 0 H ARG A 53 7.836 -1.392 -13.367 1.00 0.00 H new ATOM 0 HA ARG A 53 5.559 -1.745 -15.154 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.644 -0.499 -16.276 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.298 -2.124 -16.333 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.234 -1.863 -18.415 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.099 -2.815 -17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.626 -1.006 -17.161 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.871 0.193 -17.451 1.00 0.00 H new ATOM 0 HE ARG A 53 5.677 -1.151 -19.877 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.440 0.527 -17.723 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.375 1.036 -19.038 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.304 -0.493 -21.561 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.862 0.461 -21.200 1.00 0.00 H new ATOM 752 N ILE A 54 6.069 -4.247 -15.247 1.00 0.00 N ATOM 753 CA ILE A 54 6.189 -5.677 -14.993 1.00 0.00 C ATOM 754 C ILE A 54 6.287 -6.461 -16.297 1.00 0.00 C ATOM 755 O ILE A 54 5.460 -6.301 -17.195 1.00 0.00 O ATOM 756 CB ILE A 54 4.994 -6.206 -14.178 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.941 -5.525 -12.809 1.00 0.00 C ATOM 758 CG2 ILE A 54 5.087 -7.716 -14.021 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.623 -5.712 -12.091 1.00 0.00 C ATOM 0 H ILE A 54 5.339 -3.997 -15.914 1.00 0.00 H new ATOM 0 HA ILE A 54 7.103 -5.819 -14.417 1.00 0.00 H new ATOM 0 HB ILE A 54 4.075 -5.972 -14.715 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.744 -5.918 -12.185 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.128 -4.459 -12.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.236 -8.075 -13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.081 -8.185 -15.005 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.011 -7.972 -13.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.658 -5.203 -11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.817 -5.293 -12.694 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.443 -6.775 -11.933 1.00 0.00 H new ATOM 771 N LYS A 55 7.304 -7.311 -16.394 1.00 0.00 N ATOM 772 CA LYS A 55 7.510 -8.124 -17.587 1.00 0.00 C ATOM 773 C LYS A 55 6.359 -9.105 -17.782 1.00 0.00 C ATOM 774 O LYS A 55 6.187 -10.038 -16.998 1.00 0.00 O ATOM 775 CB LYS A 55 8.833 -8.887 -17.486 1.00 0.00 C ATOM 776 CG LYS A 55 10.056 -8.020 -17.732 1.00 0.00 C ATOM 777 CD LYS A 55 11.330 -8.711 -17.278 1.00 0.00 C ATOM 778 CE LYS A 55 11.785 -9.757 -18.283 1.00 0.00 C ATOM 779 NZ LYS A 55 12.383 -9.136 -19.498 1.00 0.00 N ATOM 0 H LYS A 55 7.998 -7.455 -15.661 1.00 0.00 H new ATOM 0 HA LYS A 55 7.546 -7.458 -18.449 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.909 -9.335 -16.495 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.827 -9.705 -18.207 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.128 -7.784 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.945 -7.074 -17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.118 -7.970 -17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.164 -9.183 -16.310 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.516 -10.416 -17.815 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.936 -10.376 -18.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.846 -9.870 -20.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.635 -8.680 -20.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.086 -8.424 -19.214 1.00 0.00 H new ATOM 793 N GLU A 56 5.575 -8.889 -18.834 1.00 0.00 N ATOM 794 CA GLU A 56 4.441 -9.756 -19.132 1.00 0.00 C ATOM 795 C GLU A 56 4.861 -11.223 -19.127 1.00 0.00 C ATOM 796 O GLU A 56 4.039 -12.114 -18.921 1.00 0.00 O ATOM 797 CB GLU A 56 3.835 -9.392 -20.489 1.00 0.00 C ATOM 798 CG GLU A 56 4.818 -9.496 -21.642 1.00 0.00 C ATOM 799 CD GLU A 56 5.761 -8.309 -21.714 1.00 0.00 C ATOM 800 OE1 GLU A 56 5.310 -7.217 -22.117 1.00 0.00 O ATOM 801 OE2 GLU A 56 6.949 -8.475 -21.366 1.00 0.00 O ATOM 0 H GLU A 56 5.704 -8.122 -19.493 1.00 0.00 H new ATOM 0 HA GLU A 56 3.690 -9.609 -18.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.986 -10.047 -20.686 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.448 -8.374 -20.443 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.400 -10.412 -21.537 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.266 -9.574 -22.579 1.00 0.00 H new ATOM 808 N ASN A 57 6.148 -11.464 -19.356 1.00 0.00 N ATOM 809 CA ASN A 57 6.678 -12.823 -19.380 1.00 0.00 C ATOM 810 C ASN A 57 7.590 -13.071 -18.182 1.00 0.00 C ATOM 811 O ASN A 57 8.649 -13.684 -18.311 1.00 0.00 O ATOM 812 CB ASN A 57 7.447 -13.070 -20.680 1.00 0.00 C ATOM 813 CG ASN A 57 6.527 -13.213 -21.877 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.621 -14.046 -21.882 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.757 -12.398 -22.900 1.00 0.00 N ATOM 0 H ASN A 57 6.843 -10.737 -19.527 1.00 0.00 H new ATOM 0 HA ASN A 57 5.838 -13.516 -19.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.138 -12.245 -20.853 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.048 -13.973 -20.577 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.171 -12.448 -23.733 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.520 -11.722 -22.852 1.00 0.00 H new ATOM 822 N GLY A 58 7.169 -12.592 -17.015 1.00 0.00 N ATOM 823 CA GLY A 58 7.958 -12.773 -15.811 1.00 0.00 C ATOM 824 C GLY A 58 7.171 -13.431 -14.695 1.00 0.00 C ATOM 825 O GLY A 58 5.958 -13.608 -14.803 1.00 0.00 O ATOM 0 H GLY A 58 6.296 -12.082 -16.882 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.833 -13.381 -16.042 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.324 -11.804 -15.471 1.00 0.00 H new ATOM 829 N ALA A 59 7.862 -13.795 -13.620 1.00 0.00 N ATOM 830 CA ALA A 59 7.220 -14.437 -12.480 1.00 0.00 C ATOM 831 C ALA A 59 6.065 -13.592 -11.953 1.00 0.00 C ATOM 832 O ALA A 59 4.961 -14.094 -11.746 1.00 0.00 O ATOM 833 CB ALA A 59 8.236 -14.693 -11.377 1.00 0.00 C ATOM 0 H ALA A 59 8.867 -13.656 -13.515 1.00 0.00 H new ATOM 0 HA ALA A 59 6.814 -15.392 -12.813 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.742 -15.173 -10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.025 -15.344 -11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.669 -13.746 -11.054 1.00 0.00 H new ATOM 839 N ALA A 60 6.328 -12.308 -11.738 1.00 0.00 N ATOM 840 CA ALA A 60 5.310 -11.393 -11.237 1.00 0.00 C ATOM 841 C ALA A 60 4.079 -11.394 -12.137 1.00 0.00 C ATOM 842 O ALA A 60 2.955 -11.569 -11.669 1.00 0.00 O ATOM 843 CB ALA A 60 5.877 -9.987 -11.116 1.00 0.00 C ATOM 0 H ALA A 60 7.238 -11.877 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 60 5.005 -11.736 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.106 -9.315 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.720 -9.993 -10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.212 -9.644 -12.095 1.00 0.00 H new ATOM 849 N ALA A 61 4.300 -11.196 -13.433 1.00 0.00 N ATOM 850 CA ALA A 61 3.209 -11.176 -14.399 1.00 0.00 C ATOM 851 C ALA A 61 2.480 -12.514 -14.432 1.00 0.00 C ATOM 852 O ALA A 61 1.286 -12.590 -14.137 1.00 0.00 O ATOM 853 CB ALA A 61 3.737 -10.826 -15.783 1.00 0.00 C ATOM 0 H ALA A 61 5.225 -11.047 -13.837 1.00 0.00 H new ATOM 0 HA ALA A 61 2.496 -10.412 -14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.912 -10.815 -16.495 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.206 -9.843 -15.755 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.472 -11.570 -16.091 1.00 0.00 H new ATOM 859 N LEU A 62 3.203 -13.568 -14.794 1.00 0.00 N ATOM 860 CA LEU A 62 2.624 -14.905 -14.866 1.00 0.00 C ATOM 861 C LEU A 62 1.740 -15.182 -13.654 1.00 0.00 C ATOM 862 O LEU A 62 0.553 -15.477 -13.793 1.00 0.00 O ATOM 863 CB LEU A 62 3.730 -15.958 -14.956 1.00 0.00 C ATOM 864 CG LEU A 62 4.578 -15.934 -16.228 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.717 -16.937 -16.130 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.716 -16.221 -17.449 1.00 0.00 C ATOM 0 H LEU A 62 4.191 -13.523 -15.042 1.00 0.00 H new ATOM 0 HA LEU A 62 2.007 -14.958 -15.763 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.392 -15.834 -14.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.274 -16.944 -14.866 1.00 0.00 H new ATOM 0 HG LEU A 62 5.007 -14.938 -16.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.309 -16.905 -17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.350 -16.687 -15.279 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.309 -17.939 -15.996 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.336 -16.200 -18.345 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.258 -17.205 -17.348 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.936 -15.464 -17.530 1.00 0.00 H new ATOM 878 N ASP A 63 2.326 -15.083 -12.466 1.00 0.00 N ATOM 879 CA ASP A 63 1.592 -15.320 -11.229 1.00 0.00 C ATOM 880 C ASP A 63 0.358 -14.425 -11.150 1.00 0.00 C ATOM 881 O ASP A 63 -0.730 -14.881 -10.802 1.00 0.00 O ATOM 882 CB ASP A 63 2.494 -15.072 -10.019 1.00 0.00 C ATOM 883 CG ASP A 63 2.113 -15.927 -8.827 1.00 0.00 C ATOM 884 OD1 ASP A 63 2.124 -17.169 -8.959 1.00 0.00 O ATOM 885 OD2 ASP A 63 1.804 -15.355 -7.761 1.00 0.00 O ATOM 0 H ASP A 63 3.308 -14.840 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 63 1.267 -16.360 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.529 -15.277 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.441 -14.020 -9.739 1.00 0.00 H new ATOM 890 N GLY A 64 0.537 -13.148 -11.474 1.00 0.00 N ATOM 891 CA GLY A 64 -0.569 -12.210 -11.432 1.00 0.00 C ATOM 892 C GLY A 64 -0.738 -11.573 -10.067 1.00 0.00 C ATOM 893 O GLY A 64 -1.310 -10.489 -9.947 1.00 0.00 O ATOM 0 H GLY A 64 1.428 -12.747 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.408 -11.430 -12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.489 -12.726 -11.705 1.00 0.00 H new ATOM 897 N ARG A 65 -0.240 -12.247 -9.036 1.00 0.00 N ATOM 898 CA ARG A 65 -0.341 -11.741 -7.672 1.00 0.00 C ATOM 899 C ARG A 65 0.129 -10.291 -7.594 1.00 0.00 C ATOM 900 O ARG A 65 -0.524 -9.448 -6.977 1.00 0.00 O ATOM 901 CB ARG A 65 0.486 -12.608 -6.721 1.00 0.00 C ATOM 902 CG ARG A 65 -0.302 -13.748 -6.097 1.00 0.00 C ATOM 903 CD ARG A 65 -0.866 -13.358 -4.739 1.00 0.00 C ATOM 904 NE ARG A 65 -1.631 -12.115 -4.802 1.00 0.00 N ATOM 905 CZ ARG A 65 -2.597 -11.803 -3.945 1.00 0.00 C ATOM 906 NH1 ARG A 65 -2.913 -12.638 -2.965 1.00 0.00 N ATOM 907 NH2 ARG A 65 -3.248 -10.654 -4.067 1.00 0.00 N ATOM 0 H ARG A 65 0.237 -13.145 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.388 -11.782 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.336 -13.020 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.890 -11.979 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.117 -14.035 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.343 -14.620 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.505 -14.159 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.049 -13.246 -4.026 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.412 -11.451 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.414 -13.522 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.655 -12.396 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.007 -10.009 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.990 -10.416 -3.408 1.00 0.00 H new ATOM 921 N LEU A 66 1.264 -10.008 -8.223 1.00 0.00 N ATOM 922 CA LEU A 66 1.822 -8.660 -8.225 1.00 0.00 C ATOM 923 C LEU A 66 1.221 -7.824 -9.350 1.00 0.00 C ATOM 924 O LEU A 66 0.700 -8.362 -10.326 1.00 0.00 O ATOM 925 CB LEU A 66 3.343 -8.717 -8.373 1.00 0.00 C ATOM 926 CG LEU A 66 4.066 -7.370 -8.405 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.888 -6.637 -7.085 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.543 -7.564 -8.715 1.00 0.00 C ATOM 0 H LEU A 66 1.816 -10.694 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 66 1.573 -8.189 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.746 -9.304 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.579 -9.255 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 66 3.626 -6.763 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.409 -5.681 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.827 -6.464 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.300 -7.240 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.041 -6.595 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.997 -8.190 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.651 -8.046 -9.687 1.00 0.00 H new ATOM 940 N GLN A 67 1.300 -6.505 -9.207 1.00 0.00 N ATOM 941 CA GLN A 67 0.765 -5.594 -10.212 1.00 0.00 C ATOM 942 C GLN A 67 1.471 -4.243 -10.154 1.00 0.00 C ATOM 943 O GLN A 67 2.065 -3.886 -9.136 1.00 0.00 O ATOM 944 CB GLN A 67 -0.739 -5.406 -10.011 1.00 0.00 C ATOM 945 CG GLN A 67 -1.096 -4.706 -8.710 1.00 0.00 C ATOM 946 CD GLN A 67 -2.516 -4.175 -8.703 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.389 -4.711 -8.020 1.00 0.00 O ATOM 948 NE2 GLN A 67 -2.755 -3.114 -9.466 1.00 0.00 N ATOM 0 H GLN A 67 1.729 -6.043 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 67 0.941 -6.033 -11.194 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.139 -4.830 -10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.225 -6.381 -10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.968 -5.402 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.403 -3.881 -8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.002 -2.701 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.692 -2.712 -9.502 1.00 0.00 H new ATOM 957 N GLU A 68 1.403 -3.497 -11.252 1.00 0.00 N ATOM 958 CA GLU A 68 2.037 -2.186 -11.325 1.00 0.00 C ATOM 959 C GLU A 68 1.405 -1.220 -10.328 1.00 0.00 C ATOM 960 O GLU A 68 0.237 -1.359 -9.967 1.00 0.00 O ATOM 961 CB GLU A 68 1.926 -1.620 -12.742 1.00 0.00 C ATOM 962 CG GLU A 68 2.952 -2.189 -13.707 1.00 0.00 C ATOM 963 CD GLU A 68 2.717 -1.744 -15.138 1.00 0.00 C ATOM 964 OE1 GLU A 68 2.110 -0.670 -15.334 1.00 0.00 O ATOM 965 OE2 GLU A 68 3.139 -2.471 -16.061 1.00 0.00 O ATOM 0 H GLU A 68 0.915 -3.778 -12.103 1.00 0.00 H new ATOM 0 HA GLU A 68 3.090 -2.305 -11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.926 -1.821 -13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.040 -0.537 -12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.950 -1.881 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.925 -3.278 -13.660 1.00 0.00 H new ATOM 972 N GLY A 69 2.187 -0.239 -9.885 1.00 0.00 N ATOM 973 CA GLY A 69 1.687 0.736 -8.934 1.00 0.00 C ATOM 974 C GLY A 69 1.820 0.266 -7.498 1.00 0.00 C ATOM 975 O GLY A 69 1.707 1.061 -6.565 1.00 0.00 O ATOM 0 H GLY A 69 3.157 -0.103 -10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.231 1.672 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.639 0.945 -9.149 1.00 0.00 H new ATOM 979 N ASP A 70 2.061 -1.028 -7.321 1.00 0.00 N ATOM 980 CA ASP A 70 2.209 -1.603 -5.989 1.00 0.00 C ATOM 981 C ASP A 70 3.363 -0.945 -5.239 1.00 0.00 C ATOM 982 O ASP A 70 4.361 -0.546 -5.840 1.00 0.00 O ATOM 983 CB ASP A 70 2.440 -3.112 -6.084 1.00 0.00 C ATOM 984 CG ASP A 70 1.152 -3.882 -6.300 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.074 -3.331 -5.997 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.223 -5.037 -6.770 1.00 0.00 O ATOM 0 H ASP A 70 2.158 -1.699 -8.083 1.00 0.00 H new ATOM 0 HA ASP A 70 1.288 -1.419 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.127 -3.321 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.920 -3.461 -5.170 1.00 0.00 H new ATOM 991 N LYS A 71 3.220 -0.835 -3.923 1.00 0.00 N ATOM 992 CA LYS A 71 4.250 -0.226 -3.089 1.00 0.00 C ATOM 993 C LYS A 71 4.841 -1.247 -2.123 1.00 0.00 C ATOM 994 O LYS A 71 4.299 -1.479 -1.042 1.00 0.00 O ATOM 995 CB LYS A 71 3.670 0.956 -2.308 1.00 0.00 C ATOM 996 CG LYS A 71 4.718 1.773 -1.574 1.00 0.00 C ATOM 997 CD LYS A 71 5.060 1.160 -0.226 1.00 0.00 C ATOM 998 CE LYS A 71 5.741 2.168 0.688 1.00 0.00 C ATOM 999 NZ LYS A 71 4.793 3.210 1.169 1.00 0.00 N ATOM 0 H LYS A 71 2.400 -1.160 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 71 5.046 0.133 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.131 1.607 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.942 0.583 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.620 1.841 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.353 2.790 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.150 0.793 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.713 0.300 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.174 1.648 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.564 2.644 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.207 3.707 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.608 3.891 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.900 2.761 1.456 1.00 0.00 H new ATOM 1013 N ILE A 72 5.956 -1.852 -2.518 1.00 0.00 N ATOM 1014 CA ILE A 72 6.622 -2.845 -1.685 1.00 0.00 C ATOM 1015 C ILE A 72 7.089 -2.235 -0.368 1.00 0.00 C ATOM 1016 O ILE A 72 8.132 -1.581 -0.310 1.00 0.00 O ATOM 1017 CB ILE A 72 7.832 -3.466 -2.408 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.399 -4.073 -3.744 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.490 -4.520 -1.530 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.486 -4.056 -4.796 1.00 0.00 C ATOM 0 H ILE A 72 6.417 -1.672 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 72 5.890 -3.627 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 72 8.561 -2.680 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.080 -5.102 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.533 -3.527 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.343 -4.950 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.829 -4.060 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.770 -5.306 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.109 -4.502 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.790 -3.027 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.344 -4.627 -4.442 1.00 0.00 H new ATOM 1032 N LEU A 73 6.313 -2.454 0.687 1.00 0.00 N ATOM 1033 CA LEU A 73 6.648 -1.927 2.006 1.00 0.00 C ATOM 1034 C LEU A 73 7.922 -2.571 2.542 1.00 0.00 C ATOM 1035 O LEU A 73 8.911 -1.887 2.809 1.00 0.00 O ATOM 1036 CB LEU A 73 5.493 -2.165 2.980 1.00 0.00 C ATOM 1037 CG LEU A 73 4.094 -1.841 2.455 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.053 -2.717 3.134 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.774 -0.368 2.665 1.00 0.00 C ATOM 0 H LEU A 73 5.447 -2.993 0.656 1.00 0.00 H new ATOM 0 HA LEU A 73 6.818 -0.855 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.511 -3.211 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.670 -1.569 3.875 1.00 0.00 H new ATOM 0 HG LEU A 73 4.071 -2.048 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.064 -2.472 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.272 -3.765 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.076 -2.542 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.775 -0.155 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.816 -0.135 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.502 0.242 2.131 1.00 0.00 H new ATOM 1051 N SER A 74 7.893 -3.891 2.695 1.00 0.00 N ATOM 1052 CA SER A 74 9.045 -4.628 3.201 1.00 0.00 C ATOM 1053 C SER A 74 9.372 -5.813 2.297 1.00 0.00 C ATOM 1054 O SER A 74 8.524 -6.280 1.536 1.00 0.00 O ATOM 1055 CB SER A 74 8.778 -5.117 4.626 1.00 0.00 C ATOM 1056 OG SER A 74 8.467 -4.036 5.487 1.00 0.00 O ATOM 0 H SER A 74 7.084 -4.472 2.476 1.00 0.00 H new ATOM 0 HA SER A 74 9.901 -3.954 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.954 -5.830 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.654 -5.645 5.002 1.00 0.00 H new ATOM 0 HG SER A 74 8.299 -4.376 6.391 1.00 0.00 H new ATOM 1062 N VAL A 75 10.607 -6.294 2.387 1.00 0.00 N ATOM 1063 CA VAL A 75 11.048 -7.425 1.579 1.00 0.00 C ATOM 1064 C VAL A 75 11.690 -8.503 2.445 1.00 0.00 C ATOM 1065 O VAL A 75 12.512 -8.208 3.312 1.00 0.00 O ATOM 1066 CB VAL A 75 12.052 -6.985 0.497 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.568 -8.190 -0.274 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.412 -5.974 -0.443 1.00 0.00 C ATOM 0 H VAL A 75 11.321 -5.918 3.011 1.00 0.00 H new ATOM 0 HA VAL A 75 10.160 -7.833 1.096 1.00 0.00 H new ATOM 0 HB VAL A 75 12.901 -6.506 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.276 -7.860 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.066 -8.875 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.733 -8.700 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.135 -5.674 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.545 -6.425 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.097 -5.098 0.124 1.00 0.00 H new ATOM 1078 N ASN A 76 11.310 -9.753 2.204 1.00 0.00 N ATOM 1079 CA ASN A 76 11.850 -10.876 2.963 1.00 0.00 C ATOM 1080 C ASN A 76 11.842 -10.575 4.458 1.00 0.00 C ATOM 1081 O ASN A 76 12.708 -11.039 5.200 1.00 0.00 O ATOM 1082 CB ASN A 76 13.274 -11.192 2.502 1.00 0.00 C ATOM 1083 CG ASN A 76 13.660 -12.635 2.766 1.00 0.00 C ATOM 1084 OD1 ASN A 76 14.142 -12.971 3.848 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.451 -13.494 1.776 1.00 0.00 N ATOM 0 H ASN A 76 10.631 -10.014 1.490 1.00 0.00 H new ATOM 0 HA ASN A 76 11.216 -11.744 2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.362 -10.984 1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.974 -10.532 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.692 -14.478 1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.049 -13.170 0.896 1.00 0.00 H new ATOM 1092 N GLY A 77 10.858 -9.796 4.895 1.00 0.00 N ATOM 1093 CA GLY A 77 10.755 -9.447 6.300 1.00 0.00 C ATOM 1094 C GLY A 77 11.688 -8.317 6.686 1.00 0.00 C ATOM 1095 O GLY A 77 12.174 -8.264 7.816 1.00 0.00 O ATOM 0 H GLY A 77 10.130 -9.400 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.728 -9.159 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.981 -10.324 6.907 1.00 0.00 H new ATOM 1099 N GLN A 78 11.939 -7.411 5.746 1.00 0.00 N ATOM 1100 CA GLN A 78 12.822 -6.278 5.994 1.00 0.00 C ATOM 1101 C GLN A 78 12.151 -4.968 5.594 1.00 0.00 C ATOM 1102 O GLN A 78 11.647 -4.832 4.479 1.00 0.00 O ATOM 1103 CB GLN A 78 14.133 -6.448 5.225 1.00 0.00 C ATOM 1104 CG GLN A 78 14.909 -7.697 5.614 1.00 0.00 C ATOM 1105 CD GLN A 78 16.347 -7.663 5.135 1.00 0.00 C ATOM 1106 OE1 GLN A 78 17.081 -6.712 5.405 1.00 0.00 O ATOM 1107 NE2 GLN A 78 16.758 -8.704 4.421 1.00 0.00 N ATOM 0 H GLN A 78 11.543 -7.440 4.806 1.00 0.00 H new ATOM 0 HA GLN A 78 13.037 -6.244 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.916 -6.483 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.760 -5.573 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.894 -7.807 6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.412 -8.573 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.116 -9.471 4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.716 -8.737 4.073 1.00 0.00 H new ATOM 1116 N ASP A 79 12.148 -4.007 6.512 1.00 0.00 N ATOM 1117 CA ASP A 79 11.539 -2.707 6.255 1.00 0.00 C ATOM 1118 C ASP A 79 12.363 -1.911 5.247 1.00 0.00 C ATOM 1119 O ASP A 79 13.580 -1.788 5.383 1.00 0.00 O ATOM 1120 CB ASP A 79 11.403 -1.917 7.558 1.00 0.00 C ATOM 1121 CG ASP A 79 10.268 -2.423 8.426 1.00 0.00 C ATOM 1122 OD1 ASP A 79 9.149 -2.593 7.898 1.00 0.00 O ATOM 1123 OD2 ASP A 79 10.498 -2.648 9.632 1.00 0.00 O ATOM 0 H ASP A 79 12.560 -4.104 7.440 1.00 0.00 H new ATOM 0 HA ASP A 79 10.547 -2.874 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.338 -1.978 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.238 -0.865 7.326 1.00 0.00 H new ATOM 1128 N LEU A 80 11.691 -1.374 4.235 1.00 0.00 N ATOM 1129 CA LEU A 80 12.360 -0.590 3.202 1.00 0.00 C ATOM 1130 C LEU A 80 12.112 0.901 3.404 1.00 0.00 C ATOM 1131 O LEU A 80 11.057 1.422 3.040 1.00 0.00 O ATOM 1132 CB LEU A 80 11.874 -1.016 1.816 1.00 0.00 C ATOM 1133 CG LEU A 80 11.827 -2.522 1.554 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.850 -2.839 0.433 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.215 -3.049 1.220 1.00 0.00 C ATOM 0 H LEU A 80 10.683 -1.467 4.107 1.00 0.00 H new ATOM 0 HA LEU A 80 13.432 -0.775 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.874 -0.610 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.522 -0.558 1.069 1.00 0.00 H new ATOM 0 HG LEU A 80 11.480 -3.018 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.830 -3.915 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.853 -2.498 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.165 -2.332 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.162 -4.122 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.590 -2.547 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.888 -2.856 2.055 1.00 0.00 H new ATOM 1147 N LYS A 81 13.092 1.585 3.984 1.00 0.00 N ATOM 1148 CA LYS A 81 12.984 3.018 4.232 1.00 0.00 C ATOM 1149 C LYS A 81 14.361 3.639 4.444 1.00 0.00 C ATOM 1150 O LYS A 81 15.287 2.976 4.908 1.00 0.00 O ATOM 1151 CB LYS A 81 12.101 3.280 5.454 1.00 0.00 C ATOM 1152 CG LYS A 81 12.670 2.721 6.747 1.00 0.00 C ATOM 1153 CD LYS A 81 11.763 3.016 7.930 1.00 0.00 C ATOM 1154 CE LYS A 81 11.892 1.953 9.010 1.00 0.00 C ATOM 1155 NZ LYS A 81 11.366 2.427 10.320 1.00 0.00 N ATOM 0 H LYS A 81 13.971 1.170 4.292 1.00 0.00 H new ATOM 0 HA LYS A 81 12.528 3.479 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.958 4.355 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.117 2.844 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.804 1.644 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.656 3.150 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.013 3.992 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.728 3.069 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.352 1.057 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.939 1.672 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.472 1.674 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.898 3.267 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.360 2.671 10.222 1.00 0.00 H new ATOM 1169 N ASN A 82 14.487 4.918 4.102 1.00 0.00 N ATOM 1170 CA ASN A 82 15.751 5.629 4.256 1.00 0.00 C ATOM 1171 C ASN A 82 16.865 4.932 3.480 1.00 0.00 C ATOM 1172 O ASN A 82 18.040 5.031 3.836 1.00 0.00 O ATOM 1173 CB ASN A 82 16.129 5.726 5.735 1.00 0.00 C ATOM 1174 CG ASN A 82 15.030 6.352 6.573 1.00 0.00 C ATOM 1175 OD1 ASN A 82 14.664 7.509 6.371 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.499 5.586 7.519 1.00 0.00 N ATOM 0 H ASN A 82 13.730 5.482 3.717 1.00 0.00 H new ATOM 0 HA ASN A 82 15.625 6.634 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.350 4.729 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.040 6.316 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.756 5.952 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.834 4.632 7.650 1.00 0.00 H new ATOM 1183 N LEU A 83 16.488 4.229 2.418 1.00 0.00 N ATOM 1184 CA LEU A 83 17.454 3.516 1.589 1.00 0.00 C ATOM 1185 C LEU A 83 17.481 4.083 0.173 1.00 0.00 C ATOM 1186 O LEU A 83 16.562 4.791 -0.241 1.00 0.00 O ATOM 1187 CB LEU A 83 17.118 2.025 1.548 1.00 0.00 C ATOM 1188 CG LEU A 83 15.693 1.669 1.123 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.461 2.043 -0.332 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.424 0.188 1.345 1.00 0.00 C ATOM 0 H LEU A 83 15.520 4.137 2.110 1.00 0.00 H new ATOM 0 HA LEU A 83 18.442 3.647 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.812 1.535 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.296 1.606 2.538 1.00 0.00 H new ATOM 0 HG LEU A 83 14.998 2.240 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.442 1.782 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.611 3.115 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.164 1.500 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.405 -0.047 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.126 -0.402 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.548 -0.050 2.402 1.00 0.00 H new ATOM 1202 N LEU A 84 18.537 3.765 -0.566 1.00 0.00 N ATOM 1203 CA LEU A 84 18.683 4.240 -1.937 1.00 0.00 C ATOM 1204 C LEU A 84 18.168 3.203 -2.930 1.00 0.00 C ATOM 1205 O LEU A 84 17.813 2.086 -2.550 1.00 0.00 O ATOM 1206 CB LEU A 84 20.148 4.562 -2.234 1.00 0.00 C ATOM 1207 CG LEU A 84 20.825 5.548 -1.281 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.336 5.493 -1.439 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.313 6.961 -1.524 1.00 0.00 C ATOM 0 H LEU A 84 19.306 3.180 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 84 18.089 5.148 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.713 3.630 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.213 4.962 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 84 20.577 5.263 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.800 6.202 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.689 4.486 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.604 5.752 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.805 7.650 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.530 7.255 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.236 6.991 -1.358 1.00 0.00 H new ATOM 1221 N HIS A 85 18.131 3.578 -4.205 1.00 0.00 N ATOM 1222 CA HIS A 85 17.662 2.680 -5.254 1.00 0.00 C ATOM 1223 C HIS A 85 18.463 1.381 -5.255 1.00 0.00 C ATOM 1224 O HIS A 85 17.899 0.294 -5.375 1.00 0.00 O ATOM 1225 CB HIS A 85 17.766 3.358 -6.620 1.00 0.00 C ATOM 1226 CG HIS A 85 17.264 2.511 -7.749 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.927 2.236 -7.947 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.928 1.878 -8.744 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.791 1.470 -9.014 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.990 1.238 -9.517 1.00 0.00 N ATOM 0 H HIS A 85 18.420 4.498 -4.536 1.00 0.00 H new ATOM 0 HA HIS A 85 16.617 2.442 -5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.202 4.290 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.807 3.620 -6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.997 1.876 -8.901 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.858 1.097 -9.408 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.187 0.675 -10.345 1.00 0.00 H new ATOM 1238 N GLN A 86 19.779 1.503 -5.121 1.00 0.00 N ATOM 1239 CA GLN A 86 20.657 0.339 -5.108 1.00 0.00 C ATOM 1240 C GLN A 86 20.349 -0.562 -3.916 1.00 0.00 C ATOM 1241 O GLN A 86 20.143 -1.765 -4.072 1.00 0.00 O ATOM 1242 CB GLN A 86 22.121 0.778 -5.066 1.00 0.00 C ATOM 1243 CG GLN A 86 23.100 -0.378 -4.937 1.00 0.00 C ATOM 1244 CD GLN A 86 23.489 -0.966 -6.279 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.293 -0.390 -7.012 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.919 -2.119 -6.609 1.00 0.00 N ATOM 0 H GLN A 86 20.261 2.396 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 86 20.481 -0.227 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.350 1.337 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.263 1.459 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 86 23.997 -0.034 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.656 -1.158 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 86 22.258 -2.562 -5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 86 23.142 -2.562 -7.500 1.00 0.00 H new ATOM 1255 N ASP A 87 20.321 0.029 -2.727 1.00 0.00 N ATOM 1256 CA ASP A 87 20.038 -0.719 -1.508 1.00 0.00 C ATOM 1257 C ASP A 87 18.827 -1.628 -1.697 1.00 0.00 C ATOM 1258 O ASP A 87 18.829 -2.780 -1.264 1.00 0.00 O ATOM 1259 CB ASP A 87 19.795 0.238 -0.340 1.00 0.00 C ATOM 1260 CG ASP A 87 21.071 0.580 0.403 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.933 1.268 -0.183 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.207 0.161 1.572 1.00 0.00 O ATOM 0 H ASP A 87 20.491 1.024 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 87 20.905 -1.340 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.339 1.155 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.084 -0.212 0.353 1.00 0.00 H new ATOM 1267 N ALA A 88 17.793 -1.101 -2.345 1.00 0.00 N ATOM 1268 CA ALA A 88 16.576 -1.864 -2.592 1.00 0.00 C ATOM 1269 C ALA A 88 16.828 -2.991 -3.588 1.00 0.00 C ATOM 1270 O ALA A 88 16.523 -4.153 -3.316 1.00 0.00 O ATOM 1271 CB ALA A 88 15.472 -0.948 -3.097 1.00 0.00 C ATOM 0 H ALA A 88 17.774 -0.148 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 88 16.259 -2.311 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.569 -1.531 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.266 -0.181 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.789 -0.474 -4.026 1.00 0.00 H new ATOM 1277 N VAL A 89 17.386 -2.641 -4.742 1.00 0.00 N ATOM 1278 CA VAL A 89 17.679 -3.623 -5.779 1.00 0.00 C ATOM 1279 C VAL A 89 18.485 -4.789 -5.219 1.00 0.00 C ATOM 1280 O VAL A 89 18.171 -5.953 -5.471 1.00 0.00 O ATOM 1281 CB VAL A 89 18.457 -2.990 -6.948 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.895 -4.059 -7.938 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.612 -1.928 -7.636 1.00 0.00 C ATOM 0 H VAL A 89 17.644 -1.684 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 89 16.721 -3.990 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 89 19.351 -2.509 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.443 -3.594 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.539 -4.780 -7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.017 -4.570 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.177 -1.491 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.700 -2.383 -8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.353 -1.148 -6.919 1.00 0.00 H new ATOM 1293 N ASP A 90 19.526 -4.470 -4.457 1.00 0.00 N ATOM 1294 CA ASP A 90 20.377 -5.492 -3.858 1.00 0.00 C ATOM 1295 C ASP A 90 19.564 -6.421 -2.963 1.00 0.00 C ATOM 1296 O ASP A 90 19.527 -7.633 -3.178 1.00 0.00 O ATOM 1297 CB ASP A 90 21.501 -4.840 -3.052 1.00 0.00 C ATOM 1298 CG ASP A 90 22.768 -5.674 -3.045 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.764 -6.753 -2.418 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.763 -5.246 -3.668 1.00 0.00 O ATOM 0 H ASP A 90 19.801 -3.512 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 90 20.813 -6.084 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.719 -3.857 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 90 21.166 -4.685 -2.026 1.00 0.00 H new ATOM 1305 N LEU A 91 18.915 -5.845 -1.956 1.00 0.00 N ATOM 1306 CA LEU A 91 18.103 -6.622 -1.026 1.00 0.00 C ATOM 1307 C LEU A 91 17.259 -7.652 -1.770 1.00 0.00 C ATOM 1308 O LEU A 91 17.165 -8.808 -1.356 1.00 0.00 O ATOM 1309 CB LEU A 91 17.197 -5.695 -0.213 1.00 0.00 C ATOM 1310 CG LEU A 91 16.363 -6.363 0.881 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.238 -6.738 2.066 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.230 -5.447 1.321 1.00 0.00 C ATOM 0 H LEU A 91 18.935 -4.844 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 91 18.774 -7.150 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.817 -4.927 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.520 -5.188 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 91 15.929 -7.276 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.627 -7.212 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 91 18.014 -7.431 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.702 -5.840 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.647 -5.938 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.644 -4.517 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.586 -5.229 0.469 1.00 0.00 H new ATOM 1324 N PHE A 92 16.648 -7.226 -2.870 1.00 0.00 N ATOM 1325 CA PHE A 92 15.812 -8.112 -3.672 1.00 0.00 C ATOM 1326 C PHE A 92 16.571 -9.381 -4.050 1.00 0.00 C ATOM 1327 O PHE A 92 16.031 -10.485 -3.978 1.00 0.00 O ATOM 1328 CB PHE A 92 15.337 -7.393 -4.936 1.00 0.00 C ATOM 1329 CG PHE A 92 14.189 -6.454 -4.696 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.162 -5.646 -3.571 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.138 -6.380 -5.595 1.00 0.00 C ATOM 1332 CE1 PHE A 92 13.108 -4.780 -3.347 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.081 -5.516 -5.377 1.00 0.00 C ATOM 1334 CZ PHE A 92 12.066 -4.716 -4.251 1.00 0.00 C ATOM 0 H PHE A 92 16.716 -6.273 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 92 14.945 -8.393 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.170 -6.834 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.040 -8.135 -5.677 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.974 -5.693 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.144 -7.004 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.099 -4.155 -2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.268 -5.467 -6.086 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.241 -4.041 -4.078 1.00 0.00 H new ATOM 1344 N ARG A 93 17.826 -9.214 -4.454 1.00 0.00 N ATOM 1345 CA ARG A 93 18.660 -10.344 -4.846 1.00 0.00 C ATOM 1346 C ARG A 93 18.929 -11.259 -3.655 1.00 0.00 C ATOM 1347 O ARG A 93 18.874 -12.482 -3.774 1.00 0.00 O ATOM 1348 CB ARG A 93 19.983 -9.851 -5.433 1.00 0.00 C ATOM 1349 CG ARG A 93 19.825 -9.100 -6.745 1.00 0.00 C ATOM 1350 CD ARG A 93 21.138 -8.476 -7.191 1.00 0.00 C ATOM 1351 NE ARG A 93 22.075 -9.474 -7.700 1.00 0.00 N ATOM 1352 CZ ARG A 93 23.368 -9.239 -7.890 1.00 0.00 C ATOM 1353 NH1 ARG A 93 23.875 -8.045 -7.616 1.00 0.00 N ATOM 1354 NH2 ARG A 93 24.157 -10.199 -8.356 1.00 0.00 N ATOM 0 H ARG A 93 18.288 -8.307 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 93 18.124 -10.912 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.472 -9.200 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.642 -10.705 -5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.465 -9.782 -7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.071 -8.321 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.942 -7.735 -7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.591 -7.948 -6.352 1.00 0.00 H new ATOM 0 HE ARG A 93 21.716 -10.403 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.272 -7.305 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.869 -7.867 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.770 -11.119 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.150 -10.017 -8.502 1.00 0.00 H new ATOM 1368 N ASN A 94 19.220 -10.657 -2.506 1.00 0.00 N ATOM 1369 CA ASN A 94 19.500 -11.418 -1.294 1.00 0.00 C ATOM 1370 C ASN A 94 18.368 -12.396 -0.993 1.00 0.00 C ATOM 1371 O ASN A 94 18.609 -13.545 -0.623 1.00 0.00 O ATOM 1372 CB ASN A 94 19.700 -10.472 -0.108 1.00 0.00 C ATOM 1373 CG ASN A 94 20.001 -11.214 1.179 1.00 0.00 C ATOM 1374 OD1 ASN A 94 20.384 -12.384 1.159 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.829 -10.535 2.308 1.00 0.00 N ATOM 0 H ASN A 94 19.268 -9.645 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 94 20.416 -11.987 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.518 -9.786 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.803 -9.867 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.016 -10.982 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.510 -9.567 2.277 1.00 0.00 H new ATOM 1382 N ALA A 95 17.133 -11.932 -1.154 1.00 0.00 N ATOM 1383 CA ALA A 95 15.965 -12.766 -0.903 1.00 0.00 C ATOM 1384 C ALA A 95 16.234 -14.218 -1.285 1.00 0.00 C ATOM 1385 O ALA A 95 16.165 -15.114 -0.445 1.00 0.00 O ATOM 1386 CB ALA A 95 14.761 -12.232 -1.665 1.00 0.00 C ATOM 0 H ALA A 95 16.916 -10.983 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 95 15.749 -12.733 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.896 -12.865 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.547 -11.214 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.976 -12.234 -2.734 1.00 0.00 H new ATOM 1392 N GLY A 96 16.539 -14.442 -2.560 1.00 0.00 N ATOM 1393 CA GLY A 96 16.813 -15.787 -3.031 1.00 0.00 C ATOM 1394 C GLY A 96 15.618 -16.415 -3.719 1.00 0.00 C ATOM 1395 O GLY A 96 14.718 -15.712 -4.180 1.00 0.00 O ATOM 0 H GLY A 96 16.601 -13.717 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.655 -15.762 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.112 -16.410 -2.188 1.00 0.00 H new ATOM 1399 N TYR A 97 15.608 -17.741 -3.792 1.00 0.00 N ATOM 1400 CA TYR A 97 14.516 -18.464 -4.433 1.00 0.00 C ATOM 1401 C TYR A 97 13.170 -17.832 -4.091 1.00 0.00 C ATOM 1402 O TYR A 97 12.512 -17.244 -4.949 1.00 0.00 O ATOM 1403 CB TYR A 97 14.526 -19.932 -4.005 1.00 0.00 C ATOM 1404 CG TYR A 97 13.762 -20.841 -4.940 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.145 -20.985 -6.268 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.656 -21.556 -4.497 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.449 -21.814 -7.127 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.955 -22.388 -5.348 1.00 0.00 C ATOM 1409 CZ TYR A 97 12.356 -22.514 -6.662 1.00 0.00 C ATOM 1410 OH TYR A 97 11.660 -23.341 -7.513 1.00 0.00 O ATOM 0 H TYR A 97 16.344 -18.338 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 97 14.661 -18.407 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.558 -20.276 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.100 -20.013 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.002 -20.439 -6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.339 -21.459 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.759 -21.913 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.098 -22.937 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 97 10.919 -23.761 -7.028 1.00 0.00 H new ATOM 1420 N ALA A 98 12.768 -17.958 -2.831 1.00 0.00 N ATOM 1421 CA ALA A 98 11.502 -17.398 -2.373 1.00 0.00 C ATOM 1422 C ALA A 98 11.659 -15.931 -1.985 1.00 0.00 C ATOM 1423 O ALA A 98 12.354 -15.604 -1.023 1.00 0.00 O ATOM 1424 CB ALA A 98 10.963 -18.202 -1.199 1.00 0.00 C ATOM 0 H ALA A 98 13.301 -18.443 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 98 10.789 -17.455 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.018 -17.773 -0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.804 -19.235 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.681 -18.175 -0.379 1.00 0.00 H new ATOM 1430 N VAL A 99 11.010 -15.051 -2.741 1.00 0.00 N ATOM 1431 CA VAL A 99 11.077 -13.619 -2.476 1.00 0.00 C ATOM 1432 C VAL A 99 9.727 -13.082 -2.014 1.00 0.00 C ATOM 1433 O VAL A 99 8.793 -12.958 -2.806 1.00 0.00 O ATOM 1434 CB VAL A 99 11.529 -12.838 -3.724 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.521 -11.342 -3.449 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.908 -13.299 -4.170 1.00 0.00 C ATOM 0 H VAL A 99 10.432 -15.305 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 99 11.811 -13.478 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 99 10.825 -13.039 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.843 -10.806 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.513 -11.027 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.201 -11.120 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.212 -12.737 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.626 -13.129 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.876 -14.362 -4.410 1.00 0.00 H new ATOM 1446 N SER A 100 9.632 -12.764 -0.727 1.00 0.00 N ATOM 1447 CA SER A 100 8.395 -12.242 -0.158 1.00 0.00 C ATOM 1448 C SER A 100 8.357 -10.719 -0.245 1.00 0.00 C ATOM 1449 O SER A 100 9.200 -10.032 0.333 1.00 0.00 O ATOM 1450 CB SER A 100 8.252 -12.685 1.299 1.00 0.00 C ATOM 1451 OG SER A 100 7.674 -13.976 1.386 1.00 0.00 O ATOM 0 H SER A 100 10.397 -12.859 -0.059 1.00 0.00 H new ATOM 0 HA SER A 100 7.561 -12.642 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.231 -12.688 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.634 -11.969 1.841 1.00 0.00 H new ATOM 0 HG SER A 100 7.595 -14.236 2.327 1.00 0.00 H new ATOM 1457 N LEU A 101 7.373 -10.199 -0.969 1.00 0.00 N ATOM 1458 CA LEU A 101 7.223 -8.757 -1.133 1.00 0.00 C ATOM 1459 C LEU A 101 5.876 -8.285 -0.593 1.00 0.00 C ATOM 1460 O LEU A 101 4.828 -8.580 -1.167 1.00 0.00 O ATOM 1461 CB LEU A 101 7.356 -8.374 -2.608 1.00 0.00 C ATOM 1462 CG LEU A 101 8.516 -9.020 -3.366 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.372 -8.785 -4.862 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.848 -8.481 -2.865 1.00 0.00 C ATOM 0 H LEU A 101 6.667 -10.754 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 101 8.014 -8.268 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.427 -8.634 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.463 -7.291 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 101 8.491 -10.094 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.206 -9.252 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.436 -9.221 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.371 -7.714 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.662 -8.952 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.884 -7.402 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.954 -8.702 -1.803 1.00 0.00 H new ATOM 1476 N ARG A 102 5.913 -7.548 0.513 1.00 0.00 N ATOM 1477 CA ARG A 102 4.696 -7.034 1.129 1.00 0.00 C ATOM 1478 C ARG A 102 4.310 -5.685 0.528 1.00 0.00 C ATOM 1479 O ARG A 102 4.890 -4.654 0.868 1.00 0.00 O ATOM 1480 CB ARG A 102 4.885 -6.895 2.641 1.00 0.00 C ATOM 1481 CG ARG A 102 3.578 -6.803 3.412 1.00 0.00 C ATOM 1482 CD ARG A 102 3.777 -6.153 4.772 1.00 0.00 C ATOM 1483 NE ARG A 102 4.119 -7.132 5.801 1.00 0.00 N ATOM 1484 CZ ARG A 102 3.227 -7.917 6.393 1.00 0.00 C ATOM 1485 NH1 ARG A 102 1.946 -7.840 6.060 1.00 0.00 N ATOM 1486 NH2 ARG A 102 3.615 -8.783 7.321 1.00 0.00 N ATOM 0 H ARG A 102 6.772 -7.294 1.000 1.00 0.00 H new ATOM 0 HA ARG A 102 3.892 -7.743 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.454 -7.749 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.480 -6.005 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.854 -6.228 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.160 -7.801 3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.568 -5.406 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.866 -5.628 5.060 1.00 0.00 H new ATOM 0 HE ARG A 102 5.096 -7.217 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.643 -7.176 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.263 -8.445 6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.600 -8.846 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.929 -9.386 7.775 1.00 0.00 H new ATOM 1500 N VAL A 103 3.328 -5.702 -0.367 1.00 0.00 N ATOM 1501 CA VAL A 103 2.864 -4.481 -1.015 1.00 0.00 C ATOM 1502 C VAL A 103 1.533 -4.021 -0.431 1.00 0.00 C ATOM 1503 O VAL A 103 0.828 -4.794 0.216 1.00 0.00 O ATOM 1504 CB VAL A 103 2.704 -4.678 -2.534 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.032 -5.072 -3.164 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.636 -5.720 -2.827 1.00 0.00 C ATOM 0 H VAL A 103 2.838 -6.547 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 103 3.621 -3.718 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 103 2.386 -3.733 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.900 -5.207 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.767 -4.287 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.382 -6.005 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.537 -5.846 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.921 -6.670 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.684 -5.392 -2.411 1.00 0.00 H new ATOM 1516 N GLN A 104 1.196 -2.756 -0.664 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.050 -2.193 -0.161 1.00 0.00 C ATOM 1518 C GLN A 104 -0.885 -1.613 -1.298 1.00 0.00 C ATOM 1519 O GLN A 104 -0.453 -0.693 -1.992 1.00 0.00 O ATOM 1520 CB GLN A 104 0.239 -1.109 0.879 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.014 -0.455 1.441 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.717 0.833 2.182 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.171 1.908 1.788 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.048 0.733 3.263 1.00 0.00 N ATOM 0 H GLN A 104 1.769 -2.103 -1.198 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.618 -2.996 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.809 -1.546 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.868 -0.342 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.708 -0.249 0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.511 -1.152 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.403 -0.178 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.280 1.567 3.802 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.083 -2.159 -1.484 1.00 0.00 N ATOM 1534 CA HIS A 105 -2.978 -1.696 -2.539 1.00 0.00 C ATOM 1535 C HIS A 105 -3.772 -0.477 -2.080 1.00 0.00 C ATOM 1536 O HIS A 105 -4.540 -0.549 -1.120 1.00 0.00 O ATOM 1537 CB HIS A 105 -3.934 -2.815 -2.953 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.258 -4.137 -3.149 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.174 -4.313 -3.982 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.518 -5.352 -2.612 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.797 -5.578 -3.950 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.596 -6.231 -3.126 1.00 0.00 N ATOM 0 H HIS A 105 -2.456 -2.922 -0.919 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.371 -1.411 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.708 -2.921 -2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.434 -2.531 -3.879 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -1.732 -3.580 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.304 -5.587 -1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.975 -6.006 -4.504 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.582 0.642 -2.771 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.279 1.877 -2.433 1.00 0.00 C ATOM 1552 C ARG A 106 -5.581 1.999 -3.219 1.00 0.00 C ATOM 1553 O ARG A 106 -5.591 2.475 -4.355 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.385 3.086 -2.716 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.213 3.215 -1.757 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.437 4.501 -1.995 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.463 4.756 -0.936 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.563 5.589 -1.068 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.749 6.244 -2.206 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.406 5.769 -0.059 1.00 0.00 N ATOM 0 H ARG A 106 -2.951 0.719 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.518 1.851 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.004 3.015 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.988 3.993 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.578 3.194 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.548 2.360 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.923 4.442 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.132 5.338 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.577 4.268 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.103 6.109 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.538 6.883 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.266 5.268 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.194 6.409 -0.161 1.00 0.00 H new