USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 802 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 70 ASN : amide:sc= -0.262 K(o=-1.9,f=-5.4!) USER MOD Set 1.2: B 501 MET CE :methyl 149:sc= -1.63 (180deg=-2.98!) USER MOD Set 1.3: B 502 THR OG1 : rot 33:sc= 0.0154 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0252 K(o=-6.2,f=-7.2!) USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= -6.19! C(o=-9.4!,f=-6.2!) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= -0.0387 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-12!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -170:sc= 0.871 (180deg=0.806) USER MOD Set 4.2: A 48 TYR OH : rot 48:sc= 1.2 USER MOD Single : A 19 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.063) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.508) USER MOD Single : A 25 ASN : amide:sc= 0.868 K(o=0.87,f=0.17!) USER MOD Single : A 31 ASN : amide:sc= -0.0416 K(o=-0.042,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 164:sc= -10.3! (180deg=-13.1!) USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.34 USER MOD Single : A 49 THR OG1 : rot -89:sc= -1.81! USER MOD Single : A 51 LYS NZ :NH3+ 137:sc= 0.781 (180deg=-1.13) USER MOD Single : A 54 SER OG : rot -54:sc= 0.47 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.332 (180deg=-1.46!) USER MOD Single : A 59 TYR OH : rot 81:sc= -2.09! USER MOD Single : A 61 CYS SG : rot 180:sc= -2.36! USER MOD Single : A 65 TYR OH : rot -83:sc= 0.94 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.33! USER MOD Single : A 76 SER OG : rot 19:sc= 0.159 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.0124 (180deg=-0.952!) USER MOD Single : A 91 CYS SG : rot 68:sc= -5.32! USER MOD Single : A 100 MET CE :methyl 176:sc= -5.75! (180deg=-6.16!) USER MOD Single : A 105 MET CE :methyl -121:sc= -4.44! (180deg=-8.97!) USER MOD Single : A 106 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 107 ASN : amide:sc= 0.915 K(o=0.91,f=-0.3) USER MOD Single : A 108 ASN : amide:sc= -1.94! C(o=-1.9!,f=-1.5!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -1.2 K(o=-1.2,f=-7.7!) USER MOD Single : B 511 GLN :FLIP amide:sc= -2.93 F(o=-4.6!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.710 12.202 -0.383 1.00 0.00 N ATOM 174 CA ASN A 19 -1.253 10.989 0.262 1.00 0.00 C ATOM 175 C ASN A 19 -2.279 10.398 1.242 1.00 0.00 C ATOM 176 O ASN A 19 -2.313 9.187 1.447 1.00 0.00 O ATOM 177 CB ASN A 19 0.059 11.283 0.965 1.00 0.00 C ATOM 178 CG ASN A 19 1.234 11.466 0.016 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.082 11.958 -1.104 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.414 11.067 0.459 1.00 0.00 N ATOM 0 HA ASN A 19 -1.114 10.229 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.055 12.185 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.283 10.468 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.239 11.162 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.499 10.665 1.392 1.00 0.00 H new ATOM 187 N LYS A 20 -3.118 11.235 1.838 1.00 0.00 N ATOM 188 CA LYS A 20 -4.150 10.743 2.755 1.00 0.00 C ATOM 189 C LYS A 20 -5.421 10.442 1.972 1.00 0.00 C ATOM 190 O LYS A 20 -6.167 11.353 1.606 1.00 0.00 O ATOM 191 CB LYS A 20 -4.435 11.810 3.816 1.00 0.00 C ATOM 192 CG LYS A 20 -5.440 11.389 4.875 1.00 0.00 C ATOM 193 CD LYS A 20 -4.936 10.234 5.694 1.00 0.00 C ATOM 194 CE LYS A 20 -5.424 10.291 7.131 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.831 11.423 7.883 1.00 0.00 N ATOM 0 H LYS A 20 -3.109 12.247 1.709 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.804 9.832 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.499 12.077 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.802 12.709 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.653 12.234 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.379 11.112 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.262 9.299 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.846 10.231 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.510 10.381 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.178 9.355 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.057 11.325 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.799 11.421 7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.221 12.319 7.527 1.00 0.00 H new ATOM 209 N PHE A 21 -5.681 9.163 1.741 1.00 0.00 N ATOM 210 CA PHE A 21 -6.884 8.752 1.029 1.00 0.00 C ATOM 211 C PHE A 21 -7.793 7.929 1.916 1.00 0.00 C ATOM 212 O PHE A 21 -7.352 6.992 2.563 1.00 0.00 O ATOM 213 CB PHE A 21 -6.508 7.947 -0.218 1.00 0.00 C ATOM 214 CG PHE A 21 -6.001 8.790 -1.350 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.420 10.103 -1.521 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.080 8.272 -2.236 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.923 10.868 -2.557 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.581 9.022 -3.252 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.995 10.321 -3.423 1.00 0.00 C ATOM 0 H PHE A 21 -5.078 8.394 2.035 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.422 9.652 0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.745 7.216 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.381 7.388 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.140 10.529 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.749 7.250 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.257 11.886 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.855 8.596 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.596 10.914 -4.233 1.00 0.00 H new ATOM 229 N LYS A 22 -9.061 8.293 1.961 1.00 0.00 N ATOM 230 CA LYS A 22 -10.043 7.481 2.654 1.00 0.00 C ATOM 231 C LYS A 22 -10.440 6.302 1.781 1.00 0.00 C ATOM 232 O LYS A 22 -11.089 6.467 0.745 1.00 0.00 O ATOM 233 CB LYS A 22 -11.272 8.299 3.032 1.00 0.00 C ATOM 234 CG LYS A 22 -11.340 8.676 4.496 1.00 0.00 C ATOM 235 CD LYS A 22 -11.446 7.456 5.404 1.00 0.00 C ATOM 236 CE LYS A 22 -12.826 6.824 5.364 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.883 7.767 5.814 1.00 0.00 N ATOM 0 H LYS A 22 -9.433 9.139 1.529 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.595 7.113 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.287 9.209 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.166 7.732 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.452 9.249 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.200 9.325 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.702 6.718 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.212 7.747 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.044 6.493 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.837 5.937 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.729 7.232 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.535 8.317 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.126 8.413 5.036 1.00 0.00 H new ATOM 251 N VAL A 23 -10.018 5.127 2.198 1.00 0.00 N ATOM 252 CA VAL A 23 -10.330 3.901 1.503 1.00 0.00 C ATOM 253 C VAL A 23 -11.479 3.198 2.215 1.00 0.00 C ATOM 254 O VAL A 23 -12.113 3.751 3.110 1.00 0.00 O ATOM 255 CB VAL A 23 -9.091 2.966 1.466 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.916 3.677 0.825 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.723 2.501 2.865 1.00 0.00 C ATOM 0 H VAL A 23 -9.446 4.997 3.033 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.618 4.138 0.479 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.342 2.090 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.054 3.010 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.176 3.964 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.672 4.569 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.852 1.847 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.491 3.366 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.561 1.956 3.299 1.00 0.00 H new ATOM 267 N ILE A 24 -11.766 1.999 1.797 1.00 0.00 N ATOM 268 CA ILE A 24 -12.689 1.155 2.511 1.00 0.00 C ATOM 269 C ILE A 24 -12.059 -0.196 2.735 1.00 0.00 C ATOM 270 O ILE A 24 -11.784 -0.896 1.781 1.00 0.00 O ATOM 271 CB ILE A 24 -13.964 0.908 1.723 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.855 2.141 1.628 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.698 -0.220 2.368 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.695 2.152 0.369 1.00 0.00 C ATOM 0 H ILE A 24 -11.371 1.577 0.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.926 1.665 3.445 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.690 0.659 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.510 2.180 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.235 3.037 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.619 -0.416 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.073 -1.113 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.939 0.044 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.311 3.051 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.042 2.141 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.337 1.272 0.352 1.00 0.00 H new ATOM 286 N ASN A 25 -11.845 -0.602 3.956 1.00 0.00 N ATOM 287 CA ASN A 25 -11.347 -1.946 4.148 1.00 0.00 C ATOM 288 C ASN A 25 -12.461 -2.940 3.809 1.00 0.00 C ATOM 289 O ASN A 25 -13.515 -2.969 4.460 1.00 0.00 O ATOM 290 CB ASN A 25 -10.769 -2.149 5.559 1.00 0.00 C ATOM 291 CG ASN A 25 -11.310 -3.373 6.286 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.845 -4.493 6.088 1.00 0.00 O ATOM 293 ND2 ASN A 25 -12.277 -3.157 7.158 1.00 0.00 N ATOM 0 H ASN A 25 -11.997 -0.054 4.803 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.511 -2.124 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.685 -2.233 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.980 -1.262 6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.663 -3.934 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.638 -2.213 7.296 1.00 0.00 H new ATOM 300 N VAL A 26 -12.241 -3.694 2.735 1.00 0.00 N ATOM 301 CA VAL A 26 -13.242 -4.609 2.200 1.00 0.00 C ATOM 302 C VAL A 26 -12.654 -6.008 2.108 1.00 0.00 C ATOM 303 O VAL A 26 -11.551 -6.180 1.593 1.00 0.00 O ATOM 304 CB VAL A 26 -13.713 -4.157 0.803 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.553 -2.915 0.930 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.550 -3.878 -0.118 1.00 0.00 C ATOM 0 H VAL A 26 -11.365 -3.687 2.213 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.101 -4.610 2.871 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.299 -4.969 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.885 -2.597 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.422 -3.125 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.962 -2.121 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.925 -3.562 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.931 -3.087 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.953 -4.783 -0.235 1.00 0.00 H new ATOM 316 N ASP A 27 -13.354 -7.018 2.594 1.00 0.00 N ATOM 317 CA ASP A 27 -12.752 -8.341 2.618 1.00 0.00 C ATOM 318 C ASP A 27 -13.568 -9.382 1.863 1.00 0.00 C ATOM 319 O ASP A 27 -14.758 -9.560 2.121 1.00 0.00 O ATOM 320 CB ASP A 27 -12.515 -8.792 4.061 1.00 0.00 C ATOM 321 CG ASP A 27 -11.818 -10.132 4.154 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.971 -10.430 3.283 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.111 -10.893 5.107 1.00 0.00 O ATOM 0 H ASP A 27 -14.302 -6.956 2.964 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.796 -8.259 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.917 -8.041 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.472 -8.849 4.580 1.00 0.00 H new ATOM 328 N ASP A 28 -12.881 -10.047 0.923 1.00 0.00 N ATOM 329 CA ASP A 28 -13.387 -11.200 0.147 1.00 0.00 C ATOM 330 C ASP A 28 -14.750 -10.988 -0.514 1.00 0.00 C ATOM 331 O ASP A 28 -15.296 -11.910 -1.114 1.00 0.00 O ATOM 332 CB ASP A 28 -13.447 -12.452 1.019 1.00 0.00 C ATOM 333 CG ASP A 28 -12.077 -13.007 1.345 1.00 0.00 C ATOM 334 OD1 ASP A 28 -11.228 -13.093 0.428 1.00 0.00 O ATOM 335 OD2 ASP A 28 -11.837 -13.361 2.516 1.00 0.00 O ATOM 0 H ASP A 28 -11.926 -9.793 0.670 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.668 -11.320 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.969 -12.218 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.032 -13.217 0.508 1.00 0.00 H new ATOM 340 N ASP A 29 -15.290 -9.790 -0.434 1.00 0.00 N ATOM 341 CA ASP A 29 -16.583 -9.504 -1.037 1.00 0.00 C ATOM 342 C ASP A 29 -16.595 -8.082 -1.578 1.00 0.00 C ATOM 343 O ASP A 29 -17.544 -7.647 -2.221 1.00 0.00 O ATOM 344 CB ASP A 29 -17.703 -9.695 -0.005 1.00 0.00 C ATOM 345 CG ASP A 29 -19.092 -9.647 -0.617 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.501 -10.641 -1.261 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.789 -8.619 -0.464 1.00 0.00 O ATOM 0 H ASP A 29 -14.858 -8.997 0.041 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.753 -10.196 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.567 -10.653 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.622 -8.921 0.758 1.00 0.00 H new ATOM 352 N GLY A 30 -15.494 -7.372 -1.337 1.00 0.00 N ATOM 353 CA GLY A 30 -15.440 -5.947 -1.617 1.00 0.00 C ATOM 354 C GLY A 30 -16.419 -5.217 -0.735 1.00 0.00 C ATOM 355 O GLY A 30 -16.862 -4.116 -1.046 1.00 0.00 O ATOM 0 H GLY A 30 -14.634 -7.762 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.431 -5.571 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.674 -5.764 -2.666 1.00 0.00 H new ATOM 359 N ASN A 31 -16.741 -5.854 0.381 1.00 0.00 N ATOM 360 CA ASN A 31 -17.711 -5.332 1.319 1.00 0.00 C ATOM 361 C ASN A 31 -17.023 -4.427 2.303 1.00 0.00 C ATOM 362 O ASN A 31 -16.049 -4.838 2.927 1.00 0.00 O ATOM 363 CB ASN A 31 -18.388 -6.478 2.071 1.00 0.00 C ATOM 364 CG ASN A 31 -19.697 -6.070 2.719 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.914 -4.904 3.039 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.574 -7.036 2.935 1.00 0.00 N ATOM 0 H ASN A 31 -16.334 -6.748 0.658 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.467 -4.771 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.572 -7.300 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.710 -6.852 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.466 -6.824 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.358 -7.993 2.655 1.00 0.00 H new ATOM 373 N GLU A 32 -17.488 -3.183 2.394 1.00 0.00 N ATOM 374 CA GLU A 32 -16.959 -2.233 3.356 1.00 0.00 C ATOM 375 C GLU A 32 -17.074 -2.772 4.788 1.00 0.00 C ATOM 376 O GLU A 32 -18.001 -2.424 5.516 1.00 0.00 O ATOM 377 CB GLU A 32 -17.720 -0.906 3.261 1.00 0.00 C ATOM 378 CG GLU A 32 -17.774 -0.337 1.857 1.00 0.00 C ATOM 379 CD GLU A 32 -19.130 0.206 1.485 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.539 1.241 2.039 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.783 -0.400 0.613 1.00 0.00 O ATOM 0 H GLU A 32 -18.235 -2.812 1.807 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.906 -2.076 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.737 -1.053 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.248 -0.178 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.034 0.459 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.494 -1.115 1.146 1.00 0.00 H new ATOM 388 N LEU A 33 -16.129 -3.608 5.188 1.00 0.00 N ATOM 389 CA LEU A 33 -16.130 -4.210 6.516 1.00 0.00 C ATOM 390 C LEU A 33 -15.458 -3.280 7.509 1.00 0.00 C ATOM 391 O LEU A 33 -14.780 -3.707 8.443 1.00 0.00 O ATOM 392 CB LEU A 33 -15.417 -5.561 6.472 1.00 0.00 C ATOM 393 CG LEU A 33 -16.310 -6.775 6.180 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.501 -6.374 5.348 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.532 -7.838 5.435 1.00 0.00 C ATOM 0 H LEU A 33 -15.341 -3.889 4.605 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.159 -4.370 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.637 -5.515 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.920 -5.720 7.429 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.652 -7.172 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.120 -7.250 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.086 -5.628 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.159 -5.953 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.180 -8.691 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.170 -7.430 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.684 -8.160 6.040 1.00 0.00 H new ATOM 407 N GLY A 34 -15.658 -2.002 7.281 1.00 0.00 N ATOM 408 CA GLY A 34 -15.039 -0.982 8.089 1.00 0.00 C ATOM 409 C GLY A 34 -14.148 -0.118 7.241 1.00 0.00 C ATOM 410 O GLY A 34 -12.977 -0.442 7.034 1.00 0.00 O ATOM 0 H GLY A 34 -16.252 -1.644 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.805 -0.370 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.458 -1.443 8.887 1.00 0.00 H new ATOM 414 N SER A 35 -14.699 0.962 6.715 1.00 0.00 N ATOM 415 CA SER A 35 -13.951 1.795 5.799 1.00 0.00 C ATOM 416 C SER A 35 -12.797 2.479 6.528 1.00 0.00 C ATOM 417 O SER A 35 -12.934 2.915 7.671 1.00 0.00 O ATOM 418 CB SER A 35 -14.873 2.799 5.096 1.00 0.00 C ATOM 419 OG SER A 35 -15.626 3.559 6.022 1.00 0.00 O ATOM 0 H SER A 35 -15.650 1.277 6.905 1.00 0.00 H new ATOM 0 HA SER A 35 -13.519 1.166 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.276 3.468 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.550 2.265 4.428 1.00 0.00 H new ATOM 0 HG SER A 35 -16.200 4.189 5.538 1.00 0.00 H new ATOM 425 N GLY A 36 -11.660 2.550 5.859 1.00 0.00 N ATOM 426 CA GLY A 36 -10.441 2.992 6.496 1.00 0.00 C ATOM 427 C GLY A 36 -9.811 4.148 5.753 1.00 0.00 C ATOM 428 O GLY A 36 -10.328 4.595 4.748 1.00 0.00 O ATOM 0 H GLY A 36 -11.559 2.306 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.654 3.291 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.735 2.163 6.546 1.00 0.00 H new ATOM 432 N ILE A 37 -8.720 4.653 6.261 1.00 0.00 N ATOM 433 CA ILE A 37 -7.863 5.529 5.492 1.00 0.00 C ATOM 434 C ILE A 37 -6.765 4.695 4.870 1.00 0.00 C ATOM 435 O ILE A 37 -6.561 3.574 5.255 1.00 0.00 O ATOM 436 CB ILE A 37 -7.188 6.592 6.387 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.195 7.605 6.933 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.102 7.326 5.613 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.427 8.790 6.014 1.00 0.00 C ATOM 0 H ILE A 37 -8.397 4.474 7.212 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.474 6.031 4.742 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.746 6.064 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.145 7.101 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.844 7.969 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.636 8.071 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.348 6.613 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.543 7.820 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.153 9.465 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.487 9.319 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.808 8.438 5.056 1.00 0.00 H new ATOM 451 N MET A 38 -6.064 5.252 3.933 1.00 0.00 N ATOM 452 CA MET A 38 -4.825 4.703 3.495 1.00 0.00 C ATOM 453 C MET A 38 -3.873 5.864 3.276 1.00 0.00 C ATOM 454 O MET A 38 -3.816 6.468 2.204 1.00 0.00 O ATOM 455 CB MET A 38 -5.023 3.842 2.271 1.00 0.00 C ATOM 456 CG MET A 38 -3.819 3.031 1.923 1.00 0.00 C ATOM 457 SD MET A 38 -3.419 1.856 3.209 1.00 0.00 S ATOM 458 CE MET A 38 -5.020 1.081 3.346 1.00 0.00 C ATOM 0 H MET A 38 -6.340 6.106 3.449 1.00 0.00 H new ATOM 0 HA MET A 38 -4.395 4.035 4.241 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.868 3.174 2.437 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.282 4.478 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.996 2.500 0.987 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.969 3.693 1.758 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.923 0.138 3.884 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.698 1.740 3.888 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.418 0.890 2.349 1.00 0.00 H new ATOM 468 N GLU A 39 -3.193 6.203 4.360 1.00 0.00 N ATOM 469 CA GLU A 39 -2.291 7.325 4.431 1.00 0.00 C ATOM 470 C GLU A 39 -0.963 6.914 3.816 1.00 0.00 C ATOM 471 O GLU A 39 -0.126 6.291 4.474 1.00 0.00 O ATOM 472 CB GLU A 39 -2.097 7.645 5.903 1.00 0.00 C ATOM 473 CG GLU A 39 -1.108 8.747 6.222 1.00 0.00 C ATOM 474 CD GLU A 39 -1.750 10.112 6.364 1.00 0.00 C ATOM 475 OE1 GLU A 39 -2.279 10.421 7.458 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.724 10.895 5.393 1.00 0.00 O ATOM 0 H GLU A 39 -3.261 5.685 5.236 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.680 8.192 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.064 7.920 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.774 6.737 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.588 8.501 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.355 8.788 5.435 1.00 0.00 H new ATOM 483 N LEU A 40 -0.791 7.225 2.558 1.00 0.00 N ATOM 484 CA LEU A 40 0.394 6.826 1.840 1.00 0.00 C ATOM 485 C LEU A 40 1.583 7.696 2.216 1.00 0.00 C ATOM 486 O LEU A 40 1.538 8.916 2.083 1.00 0.00 O ATOM 487 CB LEU A 40 0.126 6.910 0.346 1.00 0.00 C ATOM 488 CG LEU A 40 -0.213 5.591 -0.342 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.482 5.830 -1.807 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.938 4.616 -0.186 1.00 0.00 C ATOM 0 H LEU A 40 -1.462 7.758 2.004 1.00 0.00 H new ATOM 0 HA LEU A 40 0.640 5.799 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.697 7.606 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.005 7.336 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.105 5.169 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.723 4.884 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.321 6.518 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.403 6.261 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.689 3.677 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.835 5.037 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.118 4.432 0.873 1.00 0.00 H new ATOM 502 N THR A 41 2.641 7.073 2.709 1.00 0.00 N ATOM 503 CA THR A 41 3.850 7.805 3.028 1.00 0.00 C ATOM 504 C THR A 41 5.065 7.169 2.361 1.00 0.00 C ATOM 505 O THR A 41 4.922 6.388 1.428 1.00 0.00 O ATOM 506 CB THR A 41 4.095 7.898 4.534 1.00 0.00 C ATOM 507 OG1 THR A 41 4.362 6.604 5.087 1.00 0.00 O ATOM 508 CG2 THR A 41 2.908 8.531 5.245 1.00 0.00 C ATOM 0 H THR A 41 2.685 6.071 2.895 1.00 0.00 H new ATOM 0 HA THR A 41 3.706 8.815 2.644 1.00 0.00 H new ATOM 0 HB THR A 41 4.968 8.533 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.538 6.073 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.111 8.584 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.745 9.536 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.017 7.927 5.074 1.00 0.00 H new ATOM 516 N ASP A 42 6.254 7.524 2.842 1.00 0.00 N ATOM 517 CA ASP A 42 7.513 7.013 2.300 1.00 0.00 C ATOM 518 C ASP A 42 7.574 5.517 2.345 1.00 0.00 C ATOM 519 O ASP A 42 7.865 4.870 1.344 1.00 0.00 O ATOM 520 CB ASP A 42 8.695 7.557 3.098 1.00 0.00 C ATOM 521 CG ASP A 42 8.820 9.067 3.044 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.889 9.765 3.494 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.865 9.573 2.583 1.00 0.00 O ATOM 0 H ASP A 42 6.373 8.174 3.619 1.00 0.00 H new ATOM 0 HA ASP A 42 7.564 7.342 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.595 7.246 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.615 7.111 2.719 1.00 0.00 H new ATOM 528 N THR A 43 7.326 4.950 3.497 1.00 0.00 N ATOM 529 CA THR A 43 7.509 3.537 3.624 1.00 0.00 C ATOM 530 C THR A 43 6.352 2.871 4.325 1.00 0.00 C ATOM 531 O THR A 43 6.345 1.661 4.458 1.00 0.00 O ATOM 532 CB THR A 43 8.783 3.192 4.402 1.00 0.00 C ATOM 533 OG1 THR A 43 8.622 3.471 5.799 1.00 0.00 O ATOM 534 CG2 THR A 43 9.979 3.969 3.887 1.00 0.00 C ATOM 0 H THR A 43 7.006 5.433 4.337 1.00 0.00 H new ATOM 0 HA THR A 43 7.583 3.166 2.602 1.00 0.00 H new ATOM 0 HB THR A 43 8.960 2.126 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.447 3.241 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.864 3.698 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.143 3.731 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.791 5.038 3.992 1.00 0.00 H new ATOM 542 N GLU A 44 5.392 3.632 4.799 1.00 0.00 N ATOM 543 CA GLU A 44 4.293 3.037 5.528 1.00 0.00 C ATOM 544 C GLU A 44 2.952 3.500 5.012 1.00 0.00 C ATOM 545 O GLU A 44 2.651 4.690 4.941 1.00 0.00 O ATOM 546 CB GLU A 44 4.417 3.304 7.022 1.00 0.00 C ATOM 547 CG GLU A 44 5.307 2.313 7.749 1.00 0.00 C ATOM 548 CD GLU A 44 6.154 2.958 8.824 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.360 4.188 8.770 1.00 0.00 O ATOM 550 OE2 GLU A 44 6.629 2.237 9.730 1.00 0.00 O ATOM 0 H GLU A 44 5.348 4.646 4.696 1.00 0.00 H new ATOM 0 HA GLU A 44 4.350 1.961 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.811 4.309 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.423 3.282 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.687 1.538 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.959 1.821 7.027 1.00 0.00 H new ATOM 557 N LEU A 45 2.167 2.528 4.640 1.00 0.00 N ATOM 558 CA LEU A 45 0.804 2.730 4.246 1.00 0.00 C ATOM 559 C LEU A 45 -0.073 2.723 5.472 1.00 0.00 C ATOM 560 O LEU A 45 -0.519 1.678 5.938 1.00 0.00 O ATOM 561 CB LEU A 45 0.420 1.622 3.279 1.00 0.00 C ATOM 562 CG LEU A 45 0.567 1.953 1.828 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.965 0.724 1.052 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.735 2.465 1.314 1.00 0.00 C ATOM 0 H LEU A 45 2.465 1.553 4.602 1.00 0.00 H new ATOM 0 HA LEU A 45 0.676 3.692 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.030 0.746 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.617 1.343 3.467 1.00 0.00 H new ATOM 0 HG LEU A 45 1.341 2.711 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.069 0.978 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.915 0.347 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.199 -0.043 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.638 2.709 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.502 1.701 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.019 3.360 1.868 1.00 0.00 H new ATOM 576 N ILE A 46 -0.292 3.904 6.005 1.00 0.00 N ATOM 577 CA ILE A 46 -0.979 4.045 7.262 1.00 0.00 C ATOM 578 C ILE A 46 -2.510 4.047 7.029 1.00 0.00 C ATOM 579 O ILE A 46 -3.119 5.084 6.795 1.00 0.00 O ATOM 580 CB ILE A 46 -0.510 5.336 8.001 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.003 5.352 8.180 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.193 5.446 9.326 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.575 3.996 8.424 1.00 0.00 C ATOM 0 H ILE A 46 -0.000 4.785 5.581 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.734 3.196 7.901 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.782 6.195 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.464 5.780 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.258 6.004 9.016 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.859 6.351 9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.272 5.491 9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.947 4.576 9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.656 4.073 8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.139 3.575 9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.349 3.348 7.577 1.00 0.00 H new ATOM 595 N LEU A 47 -3.117 2.867 7.099 1.00 0.00 N ATOM 596 CA LEU A 47 -4.567 2.709 6.939 1.00 0.00 C ATOM 597 C LEU A 47 -5.263 3.119 8.233 1.00 0.00 C ATOM 598 O LEU A 47 -4.997 2.540 9.274 1.00 0.00 O ATOM 599 CB LEU A 47 -4.910 1.238 6.718 1.00 0.00 C ATOM 600 CG LEU A 47 -6.376 0.835 6.968 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.250 0.954 5.729 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.399 -0.579 7.429 1.00 0.00 C ATOM 0 H LEU A 47 -2.623 1.991 7.268 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.886 3.319 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.654 0.977 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.274 0.637 7.368 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.780 1.519 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.270 0.656 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.248 1.987 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.860 0.305 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.429 -0.885 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.961 -1.219 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.824 -0.671 8.350 1.00 0.00 H new ATOM 614 N TYR A 48 -6.158 4.075 8.203 1.00 0.00 N ATOM 615 CA TYR A 48 -6.876 4.408 9.428 1.00 0.00 C ATOM 616 C TYR A 48 -8.176 3.631 9.455 1.00 0.00 C ATOM 617 O TYR A 48 -9.141 4.046 8.828 1.00 0.00 O ATOM 618 CB TYR A 48 -7.201 5.896 9.538 1.00 0.00 C ATOM 619 CG TYR A 48 -6.007 6.774 9.687 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.976 6.614 8.826 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.922 7.767 10.654 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.876 7.388 8.881 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.800 8.570 10.733 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.773 8.375 9.833 1.00 0.00 C ATOM 625 OH TYR A 48 -2.651 9.169 9.881 1.00 0.00 O ATOM 0 H TYR A 48 -6.408 4.624 7.381 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.229 4.148 10.266 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.754 6.202 8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.860 6.050 10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.037 5.843 8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.737 7.912 11.348 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.073 7.233 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.728 9.339 11.488 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.443 9.496 8.981 1.00 0.00 H new ATOM 635 N THR A 49 -8.222 2.522 10.173 1.00 0.00 N ATOM 636 CA THR A 49 -9.427 1.700 10.190 1.00 0.00 C ATOM 637 C THR A 49 -10.568 2.402 10.918 1.00 0.00 C ATOM 638 O THR A 49 -10.488 3.593 11.232 1.00 0.00 O ATOM 639 CB THR A 49 -9.192 0.356 10.867 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.500 0.561 12.085 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.422 -0.580 9.968 1.00 0.00 C ATOM 0 H THR A 49 -7.454 2.171 10.745 1.00 0.00 H new ATOM 0 HA THR A 49 -9.693 1.538 9.146 1.00 0.00 H new ATOM 0 HB THR A 49 -10.156 -0.109 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.534 0.539 11.920 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.269 -1.531 10.478 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.985 -0.747 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.455 -0.139 9.726 1.00 0.00 H new ATOM 649 N ARG A 50 -11.621 1.664 11.212 1.00 0.00 N ATOM 650 CA ARG A 50 -12.705 2.210 11.988 1.00 0.00 C ATOM 651 C ARG A 50 -12.370 2.166 13.468 1.00 0.00 C ATOM 652 O ARG A 50 -12.168 3.196 14.104 1.00 0.00 O ATOM 653 CB ARG A 50 -13.985 1.445 11.718 1.00 0.00 C ATOM 654 CG ARG A 50 -15.054 2.313 11.104 1.00 0.00 C ATOM 655 CD ARG A 50 -15.504 3.389 12.072 1.00 0.00 C ATOM 656 NE ARG A 50 -16.625 4.158 11.537 1.00 0.00 N ATOM 657 CZ ARG A 50 -16.493 5.302 10.862 1.00 0.00 C ATOM 658 NH1 ARG A 50 -15.289 5.822 10.647 1.00 0.00 N ATOM 659 NH2 ARG A 50 -17.568 5.926 10.400 1.00 0.00 N ATOM 0 H ARG A 50 -11.744 0.693 10.926 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.851 3.249 11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.772 0.609 11.051 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.356 1.022 12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.673 2.775 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.907 1.698 10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.795 2.931 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.671 4.059 12.285 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.567 3.798 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.458 5.347 10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.196 6.697 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.495 5.532 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.468 6.800 9.884 1.00 0.00 H new ATOM 673 N LYS A 51 -12.318 0.965 14.011 1.00 0.00 N ATOM 674 CA LYS A 51 -12.072 0.773 15.432 1.00 0.00 C ATOM 675 C LYS A 51 -10.777 0.007 15.693 1.00 0.00 C ATOM 676 O LYS A 51 -10.454 -0.338 16.829 1.00 0.00 O ATOM 677 CB LYS A 51 -13.280 0.100 16.040 1.00 0.00 C ATOM 678 CG LYS A 51 -14.496 1.014 16.042 1.00 0.00 C ATOM 679 CD LYS A 51 -14.441 1.994 17.201 1.00 0.00 C ATOM 680 CE LYS A 51 -13.787 3.317 16.845 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.375 3.952 15.639 1.00 0.00 N ATOM 0 H LYS A 51 -12.444 0.099 13.487 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.929 1.741 15.911 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.509 -0.808 15.482 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.051 -0.203 17.062 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.545 1.561 15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.405 0.416 16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.454 2.182 17.555 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.894 1.538 18.026 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.880 4.000 17.689 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.722 3.156 16.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.497 4.971 15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.741 3.809 14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.300 3.521 15.436 1.00 0.00 H new ATOM 695 N ARG A 52 -10.030 -0.244 14.631 1.00 0.00 N ATOM 696 CA ARG A 52 -8.790 -1.003 14.722 1.00 0.00 C ATOM 697 C ARG A 52 -7.581 -0.055 14.777 1.00 0.00 C ATOM 698 O ARG A 52 -6.442 -0.488 14.961 1.00 0.00 O ATOM 699 CB ARG A 52 -8.717 -1.957 13.521 1.00 0.00 C ATOM 700 CG ARG A 52 -7.471 -2.822 13.449 1.00 0.00 C ATOM 701 CD ARG A 52 -7.249 -3.584 14.735 1.00 0.00 C ATOM 702 NE ARG A 52 -6.542 -4.847 14.526 1.00 0.00 N ATOM 703 CZ ARG A 52 -5.600 -5.323 15.341 1.00 0.00 C ATOM 704 NH1 ARG A 52 -5.152 -4.589 16.353 1.00 0.00 N ATOM 705 NH2 ARG A 52 -5.090 -6.529 15.124 1.00 0.00 N ATOM 0 H ARG A 52 -10.262 0.069 13.688 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.770 -1.589 15.641 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.590 -2.609 13.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.783 -1.368 12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.562 -3.524 12.620 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.604 -2.195 13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.680 -2.963 15.427 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.212 -3.784 15.205 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.785 -5.399 13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.529 -3.654 16.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.431 -4.960 16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.419 -7.088 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.369 -6.897 15.745 1.00 0.00 H new ATOM 719 N ASP A 53 -7.867 1.245 14.647 1.00 0.00 N ATOM 720 CA ASP A 53 -6.860 2.300 14.644 1.00 0.00 C ATOM 721 C ASP A 53 -5.975 2.249 13.398 1.00 0.00 C ATOM 722 O ASP A 53 -6.072 1.330 12.585 1.00 0.00 O ATOM 723 CB ASP A 53 -6.065 2.238 15.950 1.00 0.00 C ATOM 724 CG ASP A 53 -4.681 2.864 15.906 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.583 4.096 15.710 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.689 2.129 16.095 1.00 0.00 O ATOM 0 H ASP A 53 -8.819 1.594 14.540 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.356 3.269 14.594 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.643 2.733 16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.963 1.193 16.243 1.00 0.00 H new ATOM 731 N SER A 54 -5.186 3.294 13.227 1.00 0.00 N ATOM 732 CA SER A 54 -4.245 3.409 12.127 1.00 0.00 C ATOM 733 C SER A 54 -3.361 2.173 12.041 1.00 0.00 C ATOM 734 O SER A 54 -2.413 1.998 12.806 1.00 0.00 O ATOM 735 CB SER A 54 -3.390 4.666 12.286 1.00 0.00 C ATOM 736 OG SER A 54 -2.802 4.731 13.576 1.00 0.00 O ATOM 0 H SER A 54 -5.180 4.097 13.856 1.00 0.00 H new ATOM 0 HA SER A 54 -4.812 3.488 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.608 4.675 11.527 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.005 5.550 12.120 1.00 0.00 H new ATOM 0 HG SER A 54 -3.500 4.645 14.258 1.00 0.00 H new ATOM 742 N VAL A 55 -3.731 1.304 11.130 1.00 0.00 N ATOM 743 CA VAL A 55 -2.920 0.165 10.759 1.00 0.00 C ATOM 744 C VAL A 55 -1.853 0.639 9.808 1.00 0.00 C ATOM 745 O VAL A 55 -2.022 1.658 9.150 1.00 0.00 O ATOM 746 CB VAL A 55 -3.732 -0.907 10.047 1.00 0.00 C ATOM 747 CG1 VAL A 55 -2.945 -2.177 9.924 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.036 -1.174 10.749 1.00 0.00 C ATOM 0 H VAL A 55 -4.612 1.367 10.620 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.503 -0.265 11.670 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.957 -0.532 9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.545 -2.929 9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.036 -1.988 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.681 -2.539 10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.588 -1.945 10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.839 -1.512 11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.627 -0.259 10.779 1.00 0.00 H new ATOM 758 N LYS A 56 -0.759 -0.074 9.718 1.00 0.00 N ATOM 759 CA LYS A 56 0.346 0.420 8.907 1.00 0.00 C ATOM 760 C LYS A 56 0.846 -0.666 7.966 1.00 0.00 C ATOM 761 O LYS A 56 0.958 -1.830 8.359 1.00 0.00 O ATOM 762 CB LYS A 56 1.544 0.912 9.737 1.00 0.00 C ATOM 763 CG LYS A 56 1.263 1.539 11.100 1.00 0.00 C ATOM 764 CD LYS A 56 0.069 2.465 11.144 1.00 0.00 C ATOM 765 CE LYS A 56 0.455 3.836 11.634 1.00 0.00 C ATOM 766 NZ LYS A 56 1.318 3.784 12.843 1.00 0.00 N ATOM 0 H LYS A 56 -0.602 -0.971 10.177 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.058 1.268 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.214 0.066 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.087 1.644 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.111 0.740 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.146 2.094 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.370 2.543 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.695 2.045 11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.979 4.368 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.447 4.406 11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.128 4.613 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.113 2.917 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.318 3.785 12.556 1.00 0.00 H new ATOM 780 N TRP A 57 1.151 -0.288 6.731 1.00 0.00 N ATOM 781 CA TRP A 57 1.763 -1.211 5.790 1.00 0.00 C ATOM 782 C TRP A 57 3.068 -0.696 5.246 1.00 0.00 C ATOM 783 O TRP A 57 3.104 0.114 4.325 1.00 0.00 O ATOM 784 CB TRP A 57 0.815 -1.587 4.667 1.00 0.00 C ATOM 785 CG TRP A 57 -0.054 -2.694 5.124 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.242 -4.016 5.083 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.326 -2.582 5.745 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.784 -4.745 5.627 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.761 -3.885 6.041 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.144 -1.506 6.069 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.979 -4.135 6.650 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.348 -1.762 6.670 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.756 -3.059 6.957 1.00 0.00 C ATOM 0 H TRP A 57 0.985 0.648 6.361 1.00 0.00 H new ATOM 0 HA TRP A 57 1.985 -2.117 6.354 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.210 -0.727 4.380 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.378 -1.889 3.784 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.153 -4.434 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.813 -5.761 5.709 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.838 -0.493 5.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.300 -5.142 6.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.995 -0.937 6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.712 -3.218 7.435 1.00 0.00 H new ATOM 804 N HIS A 58 4.148 -1.186 5.818 1.00 0.00 N ATOM 805 CA HIS A 58 5.459 -0.789 5.378 1.00 0.00 C ATOM 806 C HIS A 58 5.721 -1.366 3.981 1.00 0.00 C ATOM 807 O HIS A 58 5.335 -2.488 3.668 1.00 0.00 O ATOM 808 CB HIS A 58 6.537 -1.237 6.371 1.00 0.00 C ATOM 809 CG HIS A 58 7.882 -0.657 6.062 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.763 -1.242 5.182 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.451 0.504 6.443 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.807 -0.451 5.012 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.643 0.608 5.773 1.00 0.00 N ATOM 0 H HIS A 58 4.139 -1.857 6.586 1.00 0.00 H new ATOM 0 HA HIS A 58 5.502 0.299 5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.242 -0.944 7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.604 -2.325 6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.045 1.218 7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.648 -0.641 4.362 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.299 1.385 5.853 1.00 0.00 H new ATOM 822 N TYR A 59 6.366 -0.564 3.154 1.00 0.00 N ATOM 823 CA TYR A 59 6.594 -0.857 1.741 1.00 0.00 C ATOM 824 C TYR A 59 7.432 -2.110 1.523 1.00 0.00 C ATOM 825 O TYR A 59 7.362 -2.741 0.473 1.00 0.00 O ATOM 826 CB TYR A 59 7.293 0.340 1.121 1.00 0.00 C ATOM 827 CG TYR A 59 6.363 1.435 0.707 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.253 1.727 1.464 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.584 2.155 -0.445 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.376 2.714 1.094 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.724 3.151 -0.827 1.00 0.00 C ATOM 832 CZ TYR A 59 4.620 3.430 -0.059 1.00 0.00 C ATOM 833 OH TYR A 59 3.774 4.429 -0.444 1.00 0.00 O ATOM 0 H TYR A 59 6.757 0.331 3.448 1.00 0.00 H new ATOM 0 HA TYR A 59 5.629 -1.045 1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.013 0.739 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.858 0.008 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.068 1.167 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.446 1.932 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.506 2.928 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.914 3.715 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 59 3.980 5.244 0.059 1.00 0.00 H new ATOM 843 N LEU A 60 8.210 -2.467 2.530 1.00 0.00 N ATOM 844 CA LEU A 60 9.047 -3.663 2.490 1.00 0.00 C ATOM 845 C LEU A 60 8.226 -4.873 2.869 1.00 0.00 C ATOM 846 O LEU A 60 8.746 -5.920 3.264 1.00 0.00 O ATOM 847 CB LEU A 60 10.250 -3.519 3.418 1.00 0.00 C ATOM 848 CG LEU A 60 11.573 -3.258 2.712 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.024 -4.483 1.934 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.438 -2.070 1.797 1.00 0.00 C ATOM 0 H LEU A 60 8.282 -1.939 3.400 1.00 0.00 H new ATOM 0 HA LEU A 60 9.423 -3.792 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.058 -2.702 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.344 -4.428 4.012 1.00 0.00 H new ATOM 0 HG LEU A 60 12.332 -3.042 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.971 -4.271 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.152 -5.322 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.272 -4.736 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.388 -1.888 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.666 -2.269 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.162 -1.191 2.380 1.00 0.00 H new ATOM 862 N CYS A 61 6.930 -4.695 2.802 1.00 0.00 N ATOM 863 CA CYS A 61 6.007 -5.736 3.135 1.00 0.00 C ATOM 864 C CYS A 61 5.005 -5.948 2.007 1.00 0.00 C ATOM 865 O CYS A 61 4.457 -7.039 1.861 1.00 0.00 O ATOM 866 CB CYS A 61 5.304 -5.369 4.439 1.00 0.00 C ATOM 867 SG CYS A 61 4.050 -6.545 4.981 1.00 0.00 S ATOM 0 H CYS A 61 6.491 -3.821 2.514 1.00 0.00 H new ATOM 0 HA CYS A 61 6.543 -6.675 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.054 -5.272 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.837 -4.391 4.321 1.00 0.00 H new ATOM 0 HG CYS A 61 3.522 -6.134 6.096 1.00 0.00 H new ATOM 873 N LEU A 62 4.785 -4.907 1.202 1.00 0.00 N ATOM 874 CA LEU A 62 3.854 -4.978 0.078 1.00 0.00 C ATOM 875 C LEU A 62 4.382 -5.891 -1.031 1.00 0.00 C ATOM 876 O LEU A 62 4.932 -5.402 -2.009 1.00 0.00 O ATOM 877 CB LEU A 62 3.637 -3.590 -0.539 1.00 0.00 C ATOM 878 CG LEU A 62 2.864 -2.529 0.268 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.837 -1.868 -0.621 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.172 -3.092 1.492 1.00 0.00 C ATOM 0 H LEU A 62 5.242 -4.001 1.310 1.00 0.00 H new ATOM 0 HA LEU A 62 2.920 -5.374 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.618 -3.176 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.115 -3.728 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 62 3.600 -1.807 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.290 -1.118 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.338 -1.390 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.140 -2.619 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.647 -2.292 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.457 -3.856 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.913 -3.534 2.158 1.00 0.00 H new ATOM 892 N ARG A 63 4.202 -7.205 -0.889 1.00 0.00 N ATOM 893 CA ARG A 63 4.574 -8.152 -1.942 1.00 0.00 C ATOM 894 C ARG A 63 3.939 -7.726 -3.254 1.00 0.00 C ATOM 895 O ARG A 63 4.618 -7.596 -4.274 1.00 0.00 O ATOM 896 CB ARG A 63 4.113 -9.574 -1.624 1.00 0.00 C ATOM 897 CG ARG A 63 4.769 -10.217 -0.417 1.00 0.00 C ATOM 898 CD ARG A 63 4.334 -11.670 -0.302 1.00 0.00 C ATOM 899 NE ARG A 63 4.858 -12.331 0.890 1.00 0.00 N ATOM 900 CZ ARG A 63 4.214 -13.307 1.532 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.040 -13.740 1.087 1.00 0.00 N ATOM 902 NH2 ARG A 63 4.742 -13.859 2.617 1.00 0.00 N ATOM 0 H ARG A 63 3.802 -7.638 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 63 5.662 -8.148 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.035 -9.561 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.300 -10.202 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.854 -10.160 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.496 -9.674 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.245 -11.717 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.665 -12.213 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 63 5.764 -12.031 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.627 -13.326 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.551 -14.487 1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.645 -13.537 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.244 -14.605 3.103 1.00 0.00 H new ATOM 916 N ARG A 64 2.633 -7.503 -3.215 1.00 0.00 N ATOM 917 CA ARG A 64 1.929 -6.970 -4.368 1.00 0.00 C ATOM 918 C ARG A 64 1.040 -5.822 -3.939 1.00 0.00 C ATOM 919 O ARG A 64 0.885 -5.589 -2.753 1.00 0.00 O ATOM 920 CB ARG A 64 1.160 -8.064 -5.133 1.00 0.00 C ATOM 921 CG ARG A 64 0.027 -8.763 -4.442 1.00 0.00 C ATOM 922 CD ARG A 64 -0.312 -10.021 -5.238 1.00 0.00 C ATOM 923 NE ARG A 64 0.742 -11.039 -5.108 1.00 0.00 N ATOM 924 CZ ARG A 64 1.347 -11.656 -6.133 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.051 -11.339 -7.386 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.273 -12.577 -5.903 1.00 0.00 N ATOM 0 H ARG A 64 2.044 -7.682 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 64 2.662 -6.582 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.765 -7.615 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.880 -8.823 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.306 -9.023 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.842 -8.108 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.260 -10.430 -4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.444 -9.764 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 64 1.035 -11.295 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.356 -10.618 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.519 -11.816 -8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.526 -12.817 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.732 -13.045 -6.684 1.00 0.00 H new ATOM 940 N TYR A 65 0.532 -5.063 -4.899 1.00 0.00 N ATOM 941 CA TYR A 65 -0.301 -3.897 -4.609 1.00 0.00 C ATOM 942 C TYR A 65 -0.924 -3.370 -5.875 1.00 0.00 C ATOM 943 O TYR A 65 -0.285 -3.347 -6.918 1.00 0.00 O ATOM 944 CB TYR A 65 0.505 -2.807 -3.901 1.00 0.00 C ATOM 945 CG TYR A 65 1.788 -2.411 -4.594 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.885 -3.260 -4.610 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.912 -1.179 -5.206 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.057 -2.893 -5.227 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.074 -0.804 -5.814 1.00 0.00 C ATOM 950 CZ TYR A 65 4.149 -1.661 -5.830 1.00 0.00 C ATOM 951 OH TYR A 65 5.319 -1.284 -6.448 1.00 0.00 O ATOM 0 H TYR A 65 0.682 -5.233 -5.894 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.100 -4.207 -3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.122 -1.922 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.744 -3.149 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.817 -4.225 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.073 -0.499 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.900 -3.568 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.150 0.166 -6.283 1.00 0.00 H new ATOM 0 HH TYR A 65 5.940 -0.923 -5.781 1.00 0.00 H new ATOM 961 N GLY A 66 -2.179 -2.962 -5.792 1.00 0.00 N ATOM 962 CA GLY A 66 -2.926 -2.717 -6.995 1.00 0.00 C ATOM 963 C GLY A 66 -4.013 -1.701 -6.873 1.00 0.00 C ATOM 964 O GLY A 66 -4.143 -0.990 -5.878 1.00 0.00 O ATOM 0 H GLY A 66 -2.685 -2.799 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.235 -2.394 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.365 -3.657 -7.329 1.00 0.00 H new ATOM 968 N TYR A 67 -4.837 -1.742 -7.889 1.00 0.00 N ATOM 969 CA TYR A 67 -5.889 -0.785 -8.126 1.00 0.00 C ATOM 970 C TYR A 67 -6.860 -1.377 -9.135 1.00 0.00 C ATOM 971 O TYR A 67 -6.455 -1.834 -10.202 1.00 0.00 O ATOM 972 CB TYR A 67 -5.311 0.519 -8.695 1.00 0.00 C ATOM 973 CG TYR A 67 -6.199 1.151 -9.746 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.474 1.573 -9.421 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.775 1.299 -11.059 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.312 2.121 -10.358 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.606 1.854 -12.014 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.875 2.262 -11.662 1.00 0.00 C ATOM 979 OH TYR A 67 -8.707 2.796 -12.618 1.00 0.00 O ATOM 0 H TYR A 67 -4.792 -2.471 -8.601 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.394 -0.564 -7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.159 1.228 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.332 0.317 -9.129 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.819 1.469 -8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.783 0.976 -11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.306 2.440 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.263 1.968 -13.032 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.240 2.824 -13.479 1.00 0.00 H new ATOM 989 N ASP A 68 -8.119 -1.401 -8.781 1.00 0.00 N ATOM 990 CA ASP A 68 -9.173 -1.580 -9.740 1.00 0.00 C ATOM 991 C ASP A 68 -10.304 -0.651 -9.341 1.00 0.00 C ATOM 992 O ASP A 68 -10.149 0.013 -8.332 1.00 0.00 O ATOM 993 CB ASP A 68 -9.594 -3.030 -9.861 1.00 0.00 C ATOM 994 CG ASP A 68 -10.556 -3.238 -11.033 1.00 0.00 C ATOM 995 OD1 ASP A 68 -10.075 -3.337 -12.178 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.790 -3.265 -10.841 1.00 0.00 O ATOM 0 H ASP A 68 -8.440 -1.297 -7.819 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.832 -1.321 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.712 -3.656 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.072 -3.350 -8.935 1.00 0.00 H new ATOM 1001 N SER A 69 -11.344 -0.502 -10.164 1.00 0.00 N ATOM 1002 CA SER A 69 -12.475 0.377 -9.874 1.00 0.00 C ATOM 1003 C SER A 69 -12.731 0.565 -8.368 1.00 0.00 C ATOM 1004 O SER A 69 -13.324 -0.296 -7.713 1.00 0.00 O ATOM 1005 CB SER A 69 -13.727 -0.164 -10.559 1.00 0.00 C ATOM 1006 OG SER A 69 -13.533 -0.242 -11.966 1.00 0.00 O ATOM 0 H SER A 69 -11.424 -0.991 -11.055 1.00 0.00 H new ATOM 0 HA SER A 69 -12.223 1.363 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.966 -1.151 -10.164 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.577 0.482 -10.339 1.00 0.00 H new ATOM 0 HG SER A 69 -14.345 -0.592 -12.389 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.270 1.716 -7.855 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.258 2.051 -6.419 1.00 0.00 C ATOM 1014 C ASN A 70 -11.878 0.882 -5.506 1.00 0.00 C ATOM 1015 O ASN A 70 -12.421 0.728 -4.425 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.561 2.693 -5.940 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.820 1.910 -6.256 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.239 1.022 -5.509 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.461 2.279 -7.346 1.00 0.00 N ATOM 0 H ASN A 70 -11.886 2.458 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.463 2.792 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.502 2.835 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.646 3.683 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.339 1.826 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.080 3.018 -7.936 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.917 0.091 -5.927 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.370 -0.976 -5.106 1.00 0.00 C ATOM 1028 C LEU A 71 -8.833 -0.888 -5.151 1.00 0.00 C ATOM 1029 O LEU A 71 -8.240 -1.141 -6.191 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.825 -2.343 -5.673 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.674 -3.261 -4.763 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.368 -4.744 -4.942 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.529 -2.918 -3.304 1.00 0.00 C ATOM 0 H LEU A 71 -10.489 0.166 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.721 -0.878 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.396 -2.154 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.933 -2.896 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.700 -3.078 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.999 -5.329 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.565 -5.034 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.320 -4.930 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.145 -3.592 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.485 -3.023 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.851 -1.890 -3.138 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.183 -0.531 -4.048 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.716 -0.541 -3.997 1.00 0.00 C ATOM 1047 C PHE A 72 -6.279 -1.682 -3.103 1.00 0.00 C ATOM 1048 O PHE A 72 -6.873 -1.917 -2.060 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.125 0.806 -3.514 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.092 0.709 -2.428 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.477 0.708 -1.106 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.731 0.635 -2.717 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.536 0.638 -0.114 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.805 0.571 -1.726 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.202 0.575 -0.435 1.00 0.00 C ATOM 0 H PHE A 72 -8.637 -0.234 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.333 -0.684 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.680 1.315 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.942 1.434 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.525 0.763 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.407 0.628 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.843 0.632 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.754 0.517 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.464 0.528 0.352 1.00 0.00 H new ATOM 1065 N SER A 73 -5.262 -2.400 -3.509 1.00 0.00 N ATOM 1066 CA SER A 73 -4.870 -3.587 -2.782 1.00 0.00 C ATOM 1067 C SER A 73 -3.370 -3.639 -2.559 1.00 0.00 C ATOM 1068 O SER A 73 -2.623 -2.871 -3.159 1.00 0.00 O ATOM 1069 CB SER A 73 -5.330 -4.816 -3.548 1.00 0.00 C ATOM 1070 OG SER A 73 -4.904 -6.016 -2.930 1.00 0.00 O ATOM 0 H SER A 73 -4.694 -2.189 -4.330 1.00 0.00 H new ATOM 0 HA SER A 73 -5.343 -3.562 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.418 -4.812 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.942 -4.775 -4.566 1.00 0.00 H new ATOM 0 HG SER A 73 -5.271 -6.065 -2.022 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.954 -4.527 -1.669 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.558 -4.875 -1.496 1.00 0.00 C ATOM 1078 C PHE A 74 -1.445 -6.213 -0.759 1.00 0.00 C ATOM 1079 O PHE A 74 -2.289 -6.544 0.074 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.783 -3.765 -0.779 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.398 -3.244 0.480 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.650 -4.095 1.539 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.695 -1.894 0.618 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.191 -3.623 2.705 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.230 -1.421 1.795 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.478 -2.285 2.833 1.00 0.00 C ATOM 0 H PHE A 74 -3.584 -5.029 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.103 -4.983 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.214 -4.138 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.658 -2.932 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.417 -5.146 1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.506 -1.214 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.392 -4.300 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.455 -0.370 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.900 -1.912 3.754 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.439 -7.003 -1.107 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.165 -8.237 -0.397 1.00 0.00 C ATOM 1098 C GLU A 75 0.896 -7.990 0.637 1.00 0.00 C ATOM 1099 O GLU A 75 2.065 -7.883 0.296 1.00 0.00 O ATOM 1100 CB GLU A 75 0.319 -9.350 -1.308 1.00 0.00 C ATOM 1101 CG GLU A 75 0.667 -10.630 -0.563 1.00 0.00 C ATOM 1102 CD GLU A 75 1.071 -11.753 -1.490 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.572 -11.464 -2.593 1.00 0.00 O ATOM 1104 OE2 GLU A 75 0.902 -12.929 -1.111 1.00 0.00 O ATOM 0 H GLU A 75 0.200 -6.808 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.105 -8.554 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.453 -9.566 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.197 -9.006 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.480 -10.430 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.191 -10.945 0.030 1.00 0.00 H new ATOM 1111 N SER A 76 0.511 -7.890 1.881 1.00 0.00 N ATOM 1112 CA SER A 76 1.486 -7.682 2.914 1.00 0.00 C ATOM 1113 C SER A 76 2.072 -9.025 3.342 1.00 0.00 C ATOM 1114 O SER A 76 1.346 -9.941 3.732 1.00 0.00 O ATOM 1115 CB SER A 76 0.838 -6.950 4.081 1.00 0.00 C ATOM 1116 OG SER A 76 -0.186 -7.733 4.677 1.00 0.00 O ATOM 0 H SER A 76 -0.456 -7.948 2.199 1.00 0.00 H new ATOM 0 HA SER A 76 2.304 -7.065 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.595 -6.709 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.420 -6.005 3.734 1.00 0.00 H new ATOM 0 HG SER A 76 -0.069 -8.672 4.423 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.245 -10.723 0.993 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.839 -9.806 0.039 1.00 0.00 C ATOM 1252 C ILE A 86 -4.908 -9.001 0.755 1.00 0.00 C ATOM 1253 O ILE A 86 -5.998 -9.504 1.037 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.487 -10.503 -1.184 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.439 -11.114 -2.120 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.360 -9.521 -1.945 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.436 -10.124 -2.674 1.00 0.00 C ATOM 0 HA ILE A 86 -3.032 -9.182 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.103 -11.319 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.901 -11.894 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.951 -11.597 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.810 -10.022 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.146 -9.149 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.751 -8.686 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.733 -10.644 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.959 -9.356 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.892 -9.658 -1.852 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.587 -7.774 1.084 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.541 -6.911 1.735 1.00 0.00 C ATOM 1271 C PHE A 87 -5.908 -5.792 0.793 1.00 0.00 C ATOM 1272 O PHE A 87 -5.073 -4.971 0.414 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.969 -6.370 3.044 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.997 -5.882 4.035 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.359 -6.006 3.800 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.582 -5.303 5.217 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.278 -5.554 4.732 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.493 -4.852 6.149 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.839 -4.976 5.910 1.00 0.00 C ATOM 0 H PHE A 87 -3.675 -7.351 0.912 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.440 -7.475 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.375 -7.153 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.289 -5.549 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.705 -6.459 2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.525 -5.201 5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.336 -5.653 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.147 -4.401 7.067 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.553 -4.623 6.639 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.153 -5.796 0.382 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.631 -4.820 -0.556 1.00 0.00 C ATOM 1291 C ALA A 88 -8.652 -3.908 0.106 1.00 0.00 C ATOM 1292 O ALA A 88 -9.483 -4.341 0.911 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.200 -5.506 -1.775 1.00 0.00 C ATOM 0 H ALA A 88 -7.854 -6.471 0.687 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.798 -4.198 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.560 -4.756 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.424 -6.107 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.027 -6.150 -1.477 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.566 -2.639 -0.217 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.469 -1.660 0.321 1.00 0.00 C ATOM 1301 C PHE A 89 -10.145 -0.974 -0.822 1.00 0.00 C ATOM 1302 O PHE A 89 -9.507 -0.610 -1.804 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.756 -0.617 1.173 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.703 -1.200 2.033 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.462 -1.369 1.510 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.947 -1.581 3.338 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.457 -1.915 2.250 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.941 -2.131 4.100 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.689 -2.301 3.551 1.00 0.00 C ATOM 0 H PHE A 89 -7.869 -2.261 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.184 -2.172 0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.311 0.135 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.487 -0.105 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.268 -1.066 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.931 -1.447 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.477 -2.045 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.132 -2.427 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.893 -2.735 4.138 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.420 -0.797 -0.690 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.191 -0.160 -1.700 1.00 0.00 C ATOM 1321 C LYS A 90 -11.910 1.331 -1.641 1.00 0.00 C ATOM 1322 O LYS A 90 -12.605 2.096 -0.977 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.644 -0.473 -1.471 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.453 -0.639 -2.725 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.702 -1.445 -2.473 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.477 -0.858 -1.329 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.772 -1.560 -1.127 1.00 0.00 N ATOM 0 H LYS A 90 -11.955 -1.093 0.126 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.928 -0.519 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.717 -1.388 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.084 0.325 -0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.724 0.341 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.849 -1.131 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.320 -1.461 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.438 -2.479 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.883 -0.920 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.662 0.199 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.405 -0.964 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.213 -1.748 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.606 -2.460 -0.633 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.846 1.713 -2.313 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.354 3.074 -2.277 1.00 0.00 C ATOM 1343 C CYS A 91 -10.796 3.788 -3.534 1.00 0.00 C ATOM 1344 O CYS A 91 -10.461 3.360 -4.629 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.825 3.105 -2.191 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.137 4.775 -2.242 1.00 0.00 S ATOM 0 H CYS A 91 -10.296 1.087 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.758 3.568 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.511 2.619 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.410 2.524 -3.015 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.462 5.412 -1.156 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.534 4.868 -3.406 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.019 5.548 -4.590 1.00 0.00 C ATOM 1354 C ALA A 92 -10.900 6.325 -5.271 1.00 0.00 C ATOM 1355 O ALA A 92 -11.025 6.729 -6.429 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.195 6.433 -4.269 1.00 0.00 C ATOM 0 H ALA A 92 -11.807 5.288 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.367 4.791 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.536 6.929 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.005 5.828 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.897 7.183 -3.536 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.813 6.550 -4.542 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.565 6.984 -5.159 1.00 0.00 C ATOM 1364 C ARG A 93 -7.651 5.794 -5.351 1.00 0.00 C ATOM 1365 O ARG A 93 -6.461 5.967 -5.334 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.790 8.013 -4.321 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.105 9.468 -4.605 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.576 9.793 -4.445 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.768 11.195 -4.089 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.937 11.731 -3.758 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.051 11.030 -3.885 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.991 12.985 -3.335 1.00 0.00 N ATOM 0 H ARG A 93 -9.770 6.440 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.849 7.449 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.987 7.817 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.724 7.854 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.523 10.099 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.792 9.711 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.103 9.575 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.011 9.156 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.950 11.804 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.014 10.074 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.947 11.445 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.136 13.537 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.888 13.399 -3.080 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.200 4.591 -5.492 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.376 3.382 -5.649 1.00 0.00 C ATOM 1388 C ALA A 94 -6.280 3.614 -6.657 1.00 0.00 C ATOM 1389 O ALA A 94 -5.109 3.427 -6.379 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.210 2.233 -6.159 1.00 0.00 C ATOM 0 H ALA A 94 -9.206 4.421 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.957 3.149 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.583 1.348 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.012 2.024 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.639 2.496 -7.126 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.721 3.989 -7.842 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.842 4.394 -8.939 1.00 0.00 C ATOM 1398 C GLU A 95 -4.724 5.296 -8.441 1.00 0.00 C ATOM 1399 O GLU A 95 -3.544 4.969 -8.535 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.669 5.139 -9.991 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.868 5.879 -9.405 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.372 6.991 -10.295 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -7.646 7.989 -10.471 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -9.502 6.887 -10.804 1.00 0.00 O ATOM 0 H GLU A 95 -7.712 4.024 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.391 3.502 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.028 5.853 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.020 4.427 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.675 5.168 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.593 6.294 -8.436 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.140 6.416 -7.898 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.260 7.426 -7.350 1.00 0.00 C ATOM 1413 C GLU A 96 -3.377 6.857 -6.241 1.00 0.00 C ATOM 1414 O GLU A 96 -2.171 7.069 -6.229 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.144 8.534 -6.794 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.420 9.795 -6.409 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.728 10.486 -7.566 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.779 9.916 -8.142 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.143 11.616 -7.913 1.00 0.00 O ATOM 0 H GLU A 96 -6.128 6.658 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.594 7.800 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.901 8.781 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.670 8.153 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.132 10.487 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.679 9.558 -5.645 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.000 6.141 -5.318 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.338 5.579 -4.176 1.00 0.00 C ATOM 1428 C LEU A 97 -2.321 4.547 -4.595 1.00 0.00 C ATOM 1429 O LEU A 97 -1.143 4.686 -4.309 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.369 4.943 -3.262 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.948 4.930 -1.814 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.135 4.987 -0.925 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.209 3.662 -1.524 1.00 0.00 C ATOM 0 H LEU A 97 -4.999 5.937 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.815 6.376 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.311 5.483 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.554 3.920 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.314 5.798 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.811 4.977 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.694 5.902 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.773 4.124 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.903 3.650 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.858 2.809 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.326 3.602 -2.160 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.785 3.516 -5.274 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.906 2.483 -5.762 1.00 0.00 C ATOM 1447 C PHE A 98 -0.725 3.124 -6.481 1.00 0.00 C ATOM 1448 O PHE A 98 0.418 2.856 -6.149 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.662 1.525 -6.689 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.758 0.783 -7.611 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.771 -0.003 -7.084 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.855 0.913 -8.986 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.125 -0.641 -7.892 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.968 0.253 -9.813 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.032 -0.521 -9.257 1.00 0.00 C ATOM 0 H PHE A 98 -3.770 3.375 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.532 1.899 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.225 0.812 -6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.387 2.090 -7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.699 -0.121 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.628 1.534 -9.414 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.910 -1.242 -7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.055 0.341 -10.886 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.739 -1.031 -9.894 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.034 3.994 -7.438 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.024 4.786 -8.155 1.00 0.00 C ATOM 1467 C ASN A 99 0.911 5.454 -7.200 1.00 0.00 C ATOM 1468 O ASN A 99 2.089 5.132 -7.198 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.690 5.860 -9.015 1.00 0.00 C ATOM 1470 CG ASN A 99 0.214 6.376 -10.116 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.099 5.670 -10.601 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.003 7.616 -10.520 1.00 0.00 N ATOM 0 H ASN A 99 -1.991 4.174 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 99 0.535 4.099 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.598 5.452 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.992 6.692 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.573 8.020 -11.259 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.746 8.169 -10.093 1.00 0.00 H new ATOM 1479 N MET A 100 0.380 6.353 -6.388 1.00 0.00 N ATOM 1480 CA MET A 100 1.175 7.104 -5.439 1.00 0.00 C ATOM 1481 C MET A 100 2.103 6.151 -4.716 1.00 0.00 C ATOM 1482 O MET A 100 3.312 6.334 -4.710 1.00 0.00 O ATOM 1483 CB MET A 100 0.257 7.810 -4.451 1.00 0.00 C ATOM 1484 CG MET A 100 0.955 8.845 -3.597 1.00 0.00 C ATOM 1485 SD MET A 100 0.257 8.973 -1.957 1.00 0.00 S ATOM 1486 CE MET A 100 -1.463 9.073 -2.378 1.00 0.00 C ATOM 0 H MET A 100 -0.614 6.580 -6.370 1.00 0.00 H new ATOM 0 HA MET A 100 1.768 7.857 -5.958 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.551 8.292 -5.002 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.201 7.065 -3.800 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.012 8.592 -3.518 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.896 9.816 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.060 9.087 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.646 9.985 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.741 8.208 -2.981 1.00 0.00 H new ATOM 1496 N LEU A 101 1.514 5.106 -4.161 1.00 0.00 N ATOM 1497 CA LEU A 101 2.251 4.011 -3.559 1.00 0.00 C ATOM 1498 C LEU A 101 3.369 3.502 -4.467 1.00 0.00 C ATOM 1499 O LEU A 101 4.524 3.491 -4.047 1.00 0.00 O ATOM 1500 CB LEU A 101 1.269 2.888 -3.213 1.00 0.00 C ATOM 1501 CG LEU A 101 1.842 1.489 -3.039 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.888 1.448 -1.953 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.717 0.526 -2.732 1.00 0.00 C ATOM 0 H LEU A 101 0.501 4.994 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 101 2.735 4.372 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.757 3.160 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.513 2.848 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 101 2.332 1.196 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.274 0.433 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.704 2.124 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.443 1.757 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.122 -0.478 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.216 0.833 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.001 0.528 -3.554 1.00 0.00 H new ATOM 1515 N GLN A 102 3.049 3.085 -5.698 1.00 0.00 N ATOM 1516 CA GLN A 102 4.089 2.574 -6.582 1.00 0.00 C ATOM 1517 C GLN A 102 5.155 3.645 -6.816 1.00 0.00 C ATOM 1518 O GLN A 102 6.330 3.331 -6.830 1.00 0.00 O ATOM 1519 CB GLN A 102 3.596 2.049 -7.940 1.00 0.00 C ATOM 1520 CG GLN A 102 2.137 1.994 -8.149 1.00 0.00 C ATOM 1521 CD GLN A 102 1.812 2.123 -9.628 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.631 2.602 -9.959 1.00 0.00 O flip ATOM 1523 NE2 GLN A 102 2.625 1.763 -10.476 1.00 0.00 N flip ATOM 0 H GLN A 102 2.108 3.092 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 102 4.499 1.710 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.026 2.675 -8.721 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.996 1.045 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.743 1.054 -7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.652 2.796 -7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.532 1.396 -10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.393 1.831 -11.467 1.00 0.00 H new ATOM 1532 N GLU A 103 4.749 4.912 -6.977 1.00 0.00 N ATOM 1533 CA GLU A 103 5.717 5.998 -7.185 1.00 0.00 C ATOM 1534 C GLU A 103 6.554 6.197 -5.948 1.00 0.00 C ATOM 1535 O GLU A 103 7.765 6.322 -6.037 1.00 0.00 O ATOM 1536 CB GLU A 103 5.070 7.341 -7.504 1.00 0.00 C ATOM 1537 CG GLU A 103 3.648 7.277 -7.959 1.00 0.00 C ATOM 1538 CD GLU A 103 3.310 8.317 -9.002 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.541 8.058 -10.200 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.809 9.399 -8.635 1.00 0.00 O ATOM 0 H GLU A 103 3.773 5.208 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 103 6.316 5.687 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.121 7.970 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.659 7.834 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.447 6.286 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.992 7.408 -7.099 1.00 0.00 H new ATOM 1547 N ILE A 104 5.915 6.261 -4.790 1.00 0.00 N ATOM 1548 CA ILE A 104 6.660 6.364 -3.558 1.00 0.00 C ATOM 1549 C ILE A 104 7.653 5.213 -3.490 1.00 0.00 C ATOM 1550 O ILE A 104 8.808 5.386 -3.104 1.00 0.00 O ATOM 1551 CB ILE A 104 5.772 6.368 -2.303 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.006 7.677 -2.192 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.635 6.187 -1.081 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.520 7.504 -2.081 1.00 0.00 C ATOM 0 H ILE A 104 4.901 6.243 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 104 7.174 7.325 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 104 5.055 5.550 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.364 8.224 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.226 8.291 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.008 6.189 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.167 5.238 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.355 7.003 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.044 8.482 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.147 6.986 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.287 6.918 -1.192 1.00 0.00 H new ATOM 1566 N MET A 105 7.196 4.048 -3.927 1.00 0.00 N ATOM 1567 CA MET A 105 8.049 2.884 -4.042 1.00 0.00 C ATOM 1568 C MET A 105 9.211 3.148 -5.003 1.00 0.00 C ATOM 1569 O MET A 105 10.355 2.785 -4.733 1.00 0.00 O ATOM 1570 CB MET A 105 7.255 1.682 -4.531 1.00 0.00 C ATOM 1571 CG MET A 105 6.284 1.133 -3.507 1.00 0.00 C ATOM 1572 SD MET A 105 6.161 -0.654 -3.606 1.00 0.00 S ATOM 1573 CE MET A 105 5.162 -0.993 -2.174 1.00 0.00 C ATOM 0 H MET A 105 6.229 3.888 -4.209 1.00 0.00 H new ATOM 0 HA MET A 105 8.450 2.672 -3.051 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.702 1.964 -5.427 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.949 0.893 -4.819 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.607 1.421 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.300 1.575 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.704 -1.657 -1.501 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.936 -0.059 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.232 -1.471 -2.484 1.00 0.00 H new ATOM 1583 N GLN A 106 8.894 3.795 -6.123 1.00 0.00 N ATOM 1584 CA GLN A 106 9.856 4.088 -7.179 1.00 0.00 C ATOM 1585 C GLN A 106 10.874 5.141 -6.744 1.00 0.00 C ATOM 1586 O GLN A 106 12.025 5.136 -7.180 1.00 0.00 O ATOM 1587 CB GLN A 106 9.117 4.616 -8.399 1.00 0.00 C ATOM 1588 CG GLN A 106 8.138 3.637 -9.000 1.00 0.00 C ATOM 1589 CD GLN A 106 7.167 4.284 -9.971 1.00 0.00 C ATOM 1590 OE1 GLN A 106 7.484 5.286 -10.618 1.00 0.00 O ATOM 1591 NE2 GLN A 106 5.984 3.707 -10.094 1.00 0.00 N ATOM 0 H GLN A 106 7.953 4.133 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 106 10.386 3.164 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.582 5.524 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.847 4.896 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.690 2.852 -9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.576 3.157 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.760 2.880 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.295 4.089 -10.742 1.00 0.00 H new ATOM 1600 N ASN A 107 10.431 6.049 -5.886 1.00 0.00 N ATOM 1601 CA ASN A 107 11.173 7.271 -5.608 1.00 0.00 C ATOM 1602 C ASN A 107 11.818 7.291 -4.221 1.00 0.00 C ATOM 1603 O ASN A 107 12.674 8.133 -3.954 1.00 0.00 O ATOM 1604 CB ASN A 107 10.249 8.478 -5.754 1.00 0.00 C ATOM 1605 CG ASN A 107 9.844 8.758 -7.191 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.536 9.465 -7.923 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.706 8.216 -7.593 1.00 0.00 N ATOM 0 H ASN A 107 9.557 5.962 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 107 11.985 7.313 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.352 8.314 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.746 9.358 -5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.371 8.378 -8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.163 7.636 -6.953 1.00 0.00 H new ATOM 1614 N ASN A 108 11.427 6.387 -3.332 1.00 0.00 N ATOM 1615 CA ASN A 108 11.941 6.434 -1.961 1.00 0.00 C ATOM 1616 C ASN A 108 12.918 5.310 -1.677 1.00 0.00 C ATOM 1617 O ASN A 108 13.769 5.443 -0.798 1.00 0.00 O ATOM 1618 CB ASN A 108 10.806 6.442 -0.925 1.00 0.00 C ATOM 1619 CG ASN A 108 10.057 7.761 -0.943 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.332 8.657 -0.150 1.00 0.00 O ATOM 1621 ND2 ASN A 108 9.127 7.901 -1.868 1.00 0.00 N ATOM 0 H ASN A 108 10.772 5.629 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 108 12.485 7.374 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.115 5.625 -1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.216 6.267 0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.609 8.776 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.926 7.134 -2.510 1.00 0.00 H new ATOM 1628 N SER A 109 12.784 4.209 -2.412 1.00 0.00 N ATOM 1629 CA SER A 109 13.602 3.000 -2.204 1.00 0.00 C ATOM 1630 C SER A 109 13.257 2.338 -0.874 1.00 0.00 C ATOM 1631 O SER A 109 13.494 1.143 -0.698 1.00 0.00 O ATOM 1632 CB SER A 109 15.103 3.317 -2.266 1.00 0.00 C ATOM 1633 OG SER A 109 15.883 2.156 -2.015 1.00 0.00 O ATOM 0 H SER A 109 12.108 4.122 -3.170 1.00 0.00 H new ATOM 0 HA SER A 109 13.372 2.306 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.352 3.721 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.346 4.087 -1.534 1.00 0.00 H new ATOM 0 HG SER A 109 16.835 2.385 -2.062 1.00 0.00 H new ATOM 1639 N ILE A 110 12.717 3.121 0.048 1.00 0.00 N ATOM 1640 CA ILE A 110 12.107 2.611 1.251 1.00 0.00 C ATOM 1641 C ILE A 110 13.104 1.862 2.129 1.00 0.00 C ATOM 1642 O ILE A 110 13.257 0.636 2.058 1.00 0.00 O ATOM 1643 CB ILE A 110 10.892 1.732 0.945 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.751 2.563 0.375 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.433 1.049 2.197 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.967 3.093 -1.017 1.00 0.00 C ATOM 0 H ILE A 110 12.693 4.138 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 110 11.762 3.480 1.811 1.00 0.00 H new ATOM 0 HB ILE A 110 11.185 0.988 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.846 1.955 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.570 3.406 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.568 0.424 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.238 0.427 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.158 1.798 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.095 3.670 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.849 3.733 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.113 2.260 -1.705 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.985 -10.138 -9.512 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.273 -9.514 -9.373 1.00 0.00 C ATOM 1886 C ALA B 496 -5.990 -10.128 -8.204 1.00 0.00 C ATOM 1887 O ALA B 496 -6.223 -11.337 -8.147 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.101 -9.561 -10.633 1.00 0.00 C ATOM 0 HA ALA B 496 -5.115 -8.452 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.059 -9.073 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.573 -9.045 -11.435 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.270 -10.599 -10.919 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.225 -9.289 -7.227 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.972 -9.677 -6.049 1.00 0.00 C ATOM 1896 C VAL B 497 -8.434 -9.495 -6.339 1.00 0.00 C ATOM 1897 O VAL B 497 -8.902 -8.396 -6.597 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.540 -8.862 -4.785 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.311 -8.056 -5.086 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.642 -7.939 -4.267 1.00 0.00 C ATOM 0 H VAL B 497 -5.907 -8.320 -7.222 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.763 -10.722 -5.820 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.331 -9.589 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.019 -7.493 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.500 -8.724 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.520 -7.365 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.283 -7.401 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.914 -7.225 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.516 -8.532 -3.997 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.179 -10.558 -6.371 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.538 -10.379 -6.757 1.00 0.00 C ATOM 1912 C ILE B 498 -11.353 -10.268 -5.505 1.00 0.00 C ATOM 1913 O ILE B 498 -11.961 -11.238 -5.045 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.137 -11.443 -7.699 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.257 -11.813 -8.918 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.479 -10.926 -8.212 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.934 -11.121 -9.035 1.00 0.00 C ATOM 0 H ILE B 498 -8.887 -11.509 -6.147 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.565 -9.473 -7.363 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.227 -12.354 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.076 -12.888 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.828 -11.608 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.921 -11.664 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.148 -10.753 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.327 -9.992 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.419 -11.470 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.091 -10.045 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.328 -11.344 -8.157 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.342 -9.080 -4.926 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.996 -8.902 -3.667 1.00 0.00 C ATOM 1931 C ILE B 499 -13.464 -8.614 -3.930 1.00 0.00 C ATOM 1932 O ILE B 499 -13.875 -7.467 -4.121 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.304 -7.808 -2.801 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.083 -8.377 -2.063 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.268 -7.177 -1.814 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.170 -9.854 -1.745 1.00 0.00 C ATOM 0 H ILE B 499 -10.894 -8.247 -5.308 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.919 -9.814 -3.076 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.966 -7.028 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.194 -8.201 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.948 -7.826 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.746 -6.419 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.092 -6.713 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.659 -7.945 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.265 -10.168 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.037 -10.039 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.271 -10.420 -2.671 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.221 -9.711 -3.984 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.650 -9.676 -4.238 1.00 0.00 C ATOM 1950 C GLY B 500 -16.058 -8.709 -5.322 1.00 0.00 C ATOM 1951 O GLY B 500 -16.016 -9.033 -6.509 1.00 0.00 O ATOM 0 H GLY B 500 -13.851 -10.652 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.984 -10.676 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.166 -9.410 -3.315 1.00 0.00 H new ATOM 1955 N MET B 501 -16.452 -7.519 -4.882 1.00 0.00 N ATOM 1956 CA MET B 501 -16.876 -6.441 -5.736 1.00 0.00 C ATOM 1957 C MET B 501 -15.939 -6.249 -6.925 1.00 0.00 C ATOM 1958 O MET B 501 -16.398 -6.095 -8.060 1.00 0.00 O ATOM 1959 CB MET B 501 -16.943 -5.168 -4.891 1.00 0.00 C ATOM 1960 CG MET B 501 -17.789 -4.076 -5.487 1.00 0.00 C ATOM 1961 SD MET B 501 -16.971 -3.163 -6.811 1.00 0.00 S ATOM 1962 CE MET B 501 -15.656 -2.341 -5.907 1.00 0.00 C ATOM 0 H MET B 501 -16.482 -7.282 -3.890 1.00 0.00 H new ATOM 0 HA MET B 501 -17.856 -6.678 -6.151 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.336 -5.420 -3.906 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.932 -4.789 -4.744 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.710 -4.513 -5.874 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.074 -3.379 -4.699 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.791 -2.213 -6.558 1.00 0.00 H new ATOM 0 HE2 MET B 501 -16.003 -1.365 -5.568 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.374 -2.945 -5.045 1.00 0.00 H new ATOM 1972 N THR B 502 -14.636 -6.283 -6.684 1.00 0.00 N ATOM 1973 CA THR B 502 -13.704 -5.943 -7.745 1.00 0.00 C ATOM 1974 C THR B 502 -12.420 -6.764 -7.746 1.00 0.00 C ATOM 1975 O THR B 502 -11.894 -7.142 -6.703 1.00 0.00 O ATOM 1976 CB THR B 502 -13.393 -4.438 -7.680 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.368 -3.701 -8.417 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.027 -4.106 -8.205 1.00 0.00 C ATOM 0 H THR B 502 -14.211 -6.535 -5.791 1.00 0.00 H new ATOM 0 HA THR B 502 -14.195 -6.194 -8.685 1.00 0.00 H new ATOM 0 HB THR B 502 -13.422 -4.159 -6.627 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.236 -4.152 -8.353 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.862 -3.031 -8.135 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.274 -4.628 -7.615 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.952 -4.417 -9.247 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.949 -7.052 -8.957 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.672 -7.679 -9.165 1.00 0.00 C ATOM 1988 C LYS B 503 -9.566 -6.647 -9.297 1.00 0.00 C ATOM 1989 O LYS B 503 -9.567 -5.851 -10.223 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.727 -8.558 -10.403 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.423 -8.620 -11.175 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.345 -9.848 -12.054 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.692 -10.183 -12.674 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.118 -9.167 -13.674 1.00 0.00 N ATOM 0 H LYS B 503 -12.456 -6.850 -9.819 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.447 -8.296 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.010 -9.568 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.511 -8.188 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.323 -7.726 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.587 -8.621 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.612 -9.684 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.995 -10.696 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.637 -11.161 -13.153 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.444 -10.255 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.041 -9.436 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.197 -8.238 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.415 -9.116 -14.438 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.616 -6.693 -8.379 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.555 -5.724 -8.320 1.00 0.00 C ATOM 2010 C ILE B 504 -6.293 -6.229 -8.956 1.00 0.00 C ATOM 2011 O ILE B 504 -5.552 -6.992 -8.353 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.212 -5.357 -6.890 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.456 -4.935 -6.162 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.218 -4.231 -6.889 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.160 -4.157 -4.917 1.00 0.00 C ATOM 0 H ILE B 504 -8.566 -7.409 -7.655 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.928 -4.855 -8.862 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.781 -6.223 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.073 -4.330 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.039 -5.819 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.970 -3.966 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.314 -4.543 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.648 -3.366 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.095 -3.878 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.567 -4.769 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.602 -3.257 -5.175 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.001 -5.752 -10.141 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.797 -6.110 -10.840 1.00 0.00 C ATOM 2029 C PRO B 505 -3.618 -5.377 -10.220 1.00 0.00 C ATOM 2030 O PRO B 505 -3.375 -4.193 -10.479 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.101 -5.670 -12.263 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.008 -4.504 -12.108 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.796 -4.764 -10.865 1.00 0.00 C ATOM 0 HA PRO B 505 -4.526 -7.165 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.191 -5.396 -12.796 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.576 -6.469 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.442 -3.576 -12.025 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.664 -4.401 -12.972 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.930 -3.854 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.791 -5.144 -11.096 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.952 -6.070 -9.317 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.867 -5.487 -8.558 1.00 0.00 C ATOM 2043 C VAL B 506 -0.519 -5.731 -9.231 1.00 0.00 C ATOM 2044 O VAL B 506 -0.413 -6.477 -10.201 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.823 -6.080 -7.139 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.162 -5.952 -6.429 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.434 -7.519 -7.208 1.00 0.00 C ATOM 0 H VAL B 506 -3.147 -7.045 -9.091 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.050 -4.414 -8.509 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.085 -5.517 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.087 -6.383 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.433 -4.899 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.927 -6.482 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.404 -7.936 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.164 -8.065 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.450 -7.608 -7.668 1.00 0.00 H new ATOM 2057 N ILE B 507 0.499 -5.088 -8.689 1.00 0.00 N ATOM 2058 CA ILE B 507 1.864 -5.201 -9.174 1.00 0.00 C ATOM 2059 C ILE B 507 2.775 -5.567 -8.011 1.00 0.00 C ATOM 2060 O ILE B 507 2.379 -5.424 -6.858 1.00 0.00 O ATOM 2061 CB ILE B 507 2.324 -3.882 -9.816 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.576 -2.846 -8.755 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.241 -3.359 -10.730 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.186 -1.567 -9.274 1.00 0.00 C ATOM 0 H ILE B 507 0.400 -4.464 -7.888 1.00 0.00 H new ATOM 0 HA ILE B 507 1.911 -5.979 -9.936 1.00 0.00 H new ATOM 0 HB ILE B 507 3.240 -4.073 -10.375 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.633 -2.612 -8.260 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.236 -3.270 -7.998 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.569 -2.424 -11.184 1.00 0.00 H new ATOM 0 HG22 ILE B 507 1.040 -4.091 -11.512 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.332 -3.184 -10.154 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.336 -0.873 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.146 -1.785 -9.742 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.518 -1.117 -10.008 1.00 0.00 H new ATOM 2076 N GLU B 508 3.970 -6.054 -8.295 1.00 0.00 N ATOM 2077 CA GLU B 508 4.871 -6.490 -7.235 1.00 0.00 C ATOM 2078 C GLU B 508 5.968 -5.460 -6.960 1.00 0.00 C ATOM 2079 O GLU B 508 6.555 -4.886 -7.881 1.00 0.00 O ATOM 2080 CB GLU B 508 5.455 -7.860 -7.573 1.00 0.00 C ATOM 2081 CG GLU B 508 4.416 -8.963 -7.529 1.00 0.00 C ATOM 2082 CD GLU B 508 4.988 -10.331 -7.825 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.696 -10.887 -6.960 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.719 -10.869 -8.921 1.00 0.00 O ATOM 0 H GLU B 508 4.339 -6.158 -9.240 1.00 0.00 H new ATOM 0 HA GLU B 508 4.294 -6.580 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.901 -7.826 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.256 -8.092 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.951 -8.976 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.629 -8.741 -8.250 1.00 0.00 H new ATOM 2091 N ASN B 509 6.224 -5.247 -5.669 1.00 0.00 N ATOM 2092 CA ASN B 509 7.101 -4.172 -5.187 1.00 0.00 C ATOM 2093 C ASN B 509 8.546 -4.348 -5.644 1.00 0.00 C ATOM 2094 O ASN B 509 9.039 -5.470 -5.779 1.00 0.00 O ATOM 2095 CB ASN B 509 7.091 -4.130 -3.657 1.00 0.00 C ATOM 2096 CG ASN B 509 7.908 -5.255 -3.036 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.097 -5.101 -2.777 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.279 -6.388 -2.790 1.00 0.00 N ATOM 0 H ASN B 509 5.828 -5.817 -4.922 1.00 0.00 H new ATOM 0 HA ASN B 509 6.712 -3.245 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.485 -3.171 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.062 -4.194 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.782 -7.170 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.289 -6.482 -3.018 1.00 0.00 H new ATOM 2105 N PRO B 510 9.240 -3.227 -5.895 1.00 0.00 N ATOM 2106 CA PRO B 510 10.683 -3.212 -6.116 1.00 0.00 C ATOM 2107 C PRO B 510 11.481 -3.187 -4.806 1.00 0.00 C ATOM 2108 O PRO B 510 12.702 -3.301 -4.822 1.00 0.00 O ATOM 2109 CB PRO B 510 10.921 -1.902 -6.889 1.00 0.00 C ATOM 2110 CG PRO B 510 9.571 -1.293 -7.104 1.00 0.00 C ATOM 2111 CD PRO B 510 8.673 -1.886 -6.060 1.00 0.00 C ATOM 0 HA PRO B 510 11.011 -4.108 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.566 -1.229 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.417 -2.096 -7.840 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.614 -0.208 -7.010 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.201 -1.511 -8.106 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.696 -1.316 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.634 -1.920 -6.387 1.00 0.00 H new ATOM 2119 N GLN B 511 10.787 -3.058 -3.672 1.00 0.00 N ATOM 2120 CA GLN B 511 11.443 -2.871 -2.371 1.00 0.00 C ATOM 2121 C GLN B 511 12.292 -4.071 -1.975 1.00 0.00 C ATOM 2122 O GLN B 511 13.376 -3.916 -1.410 1.00 0.00 O ATOM 2123 CB GLN B 511 10.410 -2.596 -1.281 1.00 0.00 C ATOM 2124 CG GLN B 511 10.029 -1.133 -1.138 1.00 0.00 C ATOM 2125 CD GLN B 511 10.237 -0.340 -2.411 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.236 -0.323 -3.264 1.00 0.00 O flip ATOM 2127 NE2 GLN B 511 11.294 0.242 -2.631 1.00 0.00 N flip ATOM 0 H GLN B 511 9.768 -3.079 -3.627 1.00 0.00 H new ATOM 0 HA GLN B 511 12.104 -2.011 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.511 -3.175 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.800 -2.953 -0.328 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.983 -1.063 -0.840 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.619 -0.686 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.048 0.206 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.419 0.762 -3.500 1.00 0.00 H new