USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= 0 X(o=-2.7,f=-2.7) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-3.4) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 7:sc= 0.341 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.925 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 157:sc= -0.332 (180deg=-1.03) USER MOD Single : A 37 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.2!) USER MOD Single : A 43 SER OG : rot -107:sc= 0.309 USER MOD Single : A 44 MET CE :methyl 139:sc= -0.547 (180deg=-0.823) USER MOD Single : A 45 THR OG1 : rot 43:sc= -0.104 USER MOD Single : A 46 ASN : amide:sc= 0.534 K(o=0.53,f=-0.11) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.321 USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= 0.885 (180deg=-3.14) USER MOD Single : A 59 SER OG : rot -66:sc= 0.434 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 170:sc= -0.25 (180deg=-0.475) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.672 -2.011 -4.983 1.00 0.00 N ATOM 191 CA THR A 16 -10.496 -0.933 -4.452 1.00 0.00 C ATOM 192 C THR A 16 -11.418 -1.437 -3.349 1.00 0.00 C ATOM 193 O THR A 16 -12.444 -2.061 -3.622 1.00 0.00 O ATOM 194 CB THR A 16 -11.346 -0.278 -5.557 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.203 -1.255 -6.159 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.459 0.350 -6.621 1.00 0.00 C ATOM 0 HA THR A 16 -9.814 -0.189 -4.040 1.00 0.00 H new ATOM 0 HB THR A 16 -11.952 0.506 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.572 -1.839 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.081 0.806 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.828 1.113 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.831 -0.419 -7.071 1.00 0.00 H new ATOM 204 N ILE A 17 -11.047 -1.164 -2.102 1.00 0.00 N ATOM 205 CA ILE A 17 -11.843 -1.590 -0.958 1.00 0.00 C ATOM 206 C ILE A 17 -12.002 -0.459 0.052 1.00 0.00 C ATOM 207 O ILE A 17 -11.017 0.105 0.529 1.00 0.00 O ATOM 208 CB ILE A 17 -11.213 -2.806 -0.255 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.124 -3.991 -1.219 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.019 -3.181 0.980 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.045 -4.987 -0.854 1.00 0.00 C ATOM 0 H ILE A 17 -10.200 -0.650 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.823 -1.871 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.204 -2.541 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.086 -4.502 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.937 -3.617 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.561 -4.042 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.035 -2.340 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.039 -3.430 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.039 -5.800 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.075 -4.490 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.242 -5.389 0.140 1.00 0.00 H new ATOM 223 N ILE A 18 -13.249 -0.133 0.376 1.00 0.00 N ATOM 224 CA ILE A 18 -13.538 0.929 1.332 1.00 0.00 C ATOM 225 C ILE A 18 -13.717 0.368 2.738 1.00 0.00 C ATOM 226 O ILE A 18 -14.395 -0.642 2.934 1.00 0.00 O ATOM 227 CB ILE A 18 -14.803 1.713 0.938 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.655 2.289 -0.471 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.074 2.821 1.944 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.522 3.283 -0.601 1.00 0.00 C ATOM 0 H ILE A 18 -14.076 -0.589 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.684 1.606 1.320 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.652 1.030 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.493 1.472 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.588 2.775 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.971 3.366 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.219 2.387 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.226 3.505 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.476 3.650 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.692 4.119 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.580 2.796 -0.347 1.00 0.00 H new ATOM 242 N LEU A 19 -13.108 1.030 3.716 1.00 0.00 N ATOM 243 CA LEU A 19 -13.203 0.600 5.106 1.00 0.00 C ATOM 244 C LEU A 19 -14.151 1.500 5.892 1.00 0.00 C ATOM 245 O LEU A 19 -14.113 2.726 5.786 1.00 0.00 O ATOM 246 CB LEU A 19 -11.818 0.606 5.757 1.00 0.00 C ATOM 247 CG LEU A 19 -11.609 -0.391 6.898 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.694 -1.819 6.381 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.270 -0.147 7.580 1.00 0.00 C ATOM 0 H LEU A 19 -12.543 1.867 3.571 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.601 -0.415 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.075 0.406 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.621 1.609 6.136 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.401 -0.245 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.543 -2.514 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.676 -1.988 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.924 -1.979 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.138 -0.865 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.465 -0.266 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.247 0.865 7.985 1.00 0.00 H new ATOM 261 N PRO A 20 -15.021 0.879 6.703 1.00 0.00 N ATOM 262 CA PRO A 20 -15.993 1.605 7.525 1.00 0.00 C ATOM 263 C PRO A 20 -15.331 2.374 8.663 1.00 0.00 C ATOM 264 O PRO A 20 -14.106 2.405 8.772 1.00 0.00 O ATOM 265 CB PRO A 20 -16.888 0.494 8.080 1.00 0.00 C ATOM 266 CG PRO A 20 -16.030 -0.724 8.068 1.00 0.00 C ATOM 267 CD PRO A 20 -15.121 -0.580 6.880 1.00 0.00 C ATOM 0 HA PRO A 20 -16.532 2.358 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.230 0.728 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.778 0.358 7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.456 -0.806 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.636 -1.627 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.146 -1.031 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.535 -1.065 5.996 1.00 0.00 H new ATOM 275 N GLU A 21 -16.149 2.992 9.509 1.00 0.00 N ATOM 276 CA GLU A 21 -15.641 3.761 10.638 1.00 0.00 C ATOM 277 C GLU A 21 -15.546 2.892 11.889 1.00 0.00 C ATOM 278 O GLU A 21 -15.371 3.398 12.998 1.00 0.00 O ATOM 279 CB GLU A 21 -16.543 4.967 10.910 1.00 0.00 C ATOM 280 CG GLU A 21 -18.001 4.600 11.129 1.00 0.00 C ATOM 281 CD GLU A 21 -18.858 5.801 11.478 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.959 6.130 12.679 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.429 6.412 10.551 1.00 0.00 O ATOM 0 H GLU A 21 -17.166 2.975 9.434 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.641 4.114 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.174 5.495 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.473 5.659 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.393 4.128 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.070 3.864 11.930 1.00 0.00 H new ATOM 290 N ASP A 22 -15.662 1.582 11.702 1.00 0.00 N ATOM 291 CA ASP A 22 -15.589 0.642 12.815 1.00 0.00 C ATOM 292 C ASP A 22 -14.200 0.017 12.907 1.00 0.00 C ATOM 293 O ASP A 22 -13.870 -0.641 13.894 1.00 0.00 O ATOM 294 CB ASP A 22 -16.645 -0.454 12.655 1.00 0.00 C ATOM 295 CG ASP A 22 -17.964 -0.085 13.305 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.939 0.588 14.356 1.00 0.00 O ATOM 297 OD2 ASP A 22 -19.021 -0.471 12.763 1.00 0.00 O ATOM 0 H ASP A 22 -15.807 1.147 10.791 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.783 1.191 13.736 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.807 -0.647 11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.273 -1.380 13.094 1.00 0.00 H new ATOM 302 N ILE A 23 -13.393 0.226 11.873 1.00 0.00 N ATOM 303 CA ILE A 23 -12.040 -0.316 11.838 1.00 0.00 C ATOM 304 C ILE A 23 -11.016 0.733 12.258 1.00 0.00 C ATOM 305 O ILE A 23 -11.199 1.925 12.014 1.00 0.00 O ATOM 306 CB ILE A 23 -11.679 -0.837 10.435 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.933 -1.332 9.712 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.644 -1.948 10.533 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.822 -2.203 10.572 1.00 0.00 C ATOM 0 H ILE A 23 -13.652 0.767 11.048 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.015 -1.147 12.543 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.250 -0.017 9.858 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.506 -0.472 9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.634 -1.894 8.827 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.399 -2.306 9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.743 -1.565 11.012 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.048 -2.770 11.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.692 -2.517 9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.265 -3.082 10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.151 -1.638 11.444 1.00 0.00 H new ATOM 321 N GLU A 24 -9.938 0.279 12.890 1.00 0.00 N ATOM 322 CA GLU A 24 -8.884 1.180 13.343 1.00 0.00 C ATOM 323 C GLU A 24 -7.686 1.134 12.398 1.00 0.00 C ATOM 324 O GLU A 24 -7.029 0.102 12.260 1.00 0.00 O ATOM 325 CB GLU A 24 -8.443 0.812 14.761 1.00 0.00 C ATOM 326 CG GLU A 24 -7.107 1.416 15.159 1.00 0.00 C ATOM 327 CD GLU A 24 -6.862 1.358 16.654 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.342 0.328 17.132 1.00 0.00 O ATOM 329 OE2 GLU A 24 -7.192 2.343 17.347 1.00 0.00 O ATOM 0 H GLU A 24 -9.772 -0.705 13.100 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.284 2.194 13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.206 1.141 15.467 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.380 -0.273 14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.306 0.888 14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.069 2.454 14.829 1.00 0.00 H new ATOM 336 N LEU A 25 -7.409 2.260 11.749 1.00 0.00 N ATOM 337 CA LEU A 25 -6.291 2.350 10.817 1.00 0.00 C ATOM 338 C LEU A 25 -5.030 2.838 11.523 1.00 0.00 C ATOM 339 O LEU A 25 -4.978 3.964 12.017 1.00 0.00 O ATOM 340 CB LEU A 25 -6.639 3.290 9.662 1.00 0.00 C ATOM 341 CG LEU A 25 -7.632 2.750 8.632 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.189 3.883 7.783 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.969 1.699 7.753 1.00 0.00 C ATOM 0 H LEU A 25 -7.943 3.123 11.851 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.100 1.353 10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.045 4.211 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.717 3.554 9.144 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.460 2.281 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.894 3.480 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.700 4.601 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.373 4.381 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.690 1.325 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.123 2.144 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.619 0.874 8.373 1.00 0.00 H new ATOM 355 N LYS A 26 -4.014 1.983 11.567 1.00 0.00 N ATOM 356 CA LYS A 26 -2.751 2.327 12.209 1.00 0.00 C ATOM 357 C LYS A 26 -1.768 2.910 11.199 1.00 0.00 C ATOM 358 O LYS A 26 -1.683 2.469 10.053 1.00 0.00 O ATOM 359 CB LYS A 26 -2.141 1.091 12.875 1.00 0.00 C ATOM 360 CG LYS A 26 -2.894 0.633 14.113 1.00 0.00 C ATOM 361 CD LYS A 26 -2.784 -0.870 14.307 1.00 0.00 C ATOM 362 CE LYS A 26 -3.915 -1.606 13.606 1.00 0.00 C ATOM 363 NZ LYS A 26 -4.090 -2.987 14.135 1.00 0.00 N ATOM 0 H LYS A 26 -4.041 1.046 11.165 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.952 3.081 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.115 0.275 12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.108 1.308 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.498 1.144 14.991 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.944 0.914 14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.827 -1.219 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.802 -1.103 15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.843 -1.049 13.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.711 -1.650 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.870 -3.455 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.213 -3.527 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.310 -2.944 15.151 1.00 0.00 H new ATOM 377 N PRO A 27 -1.007 3.926 11.633 1.00 0.00 N ATOM 378 CA PRO A 27 -0.014 4.590 10.782 1.00 0.00 C ATOM 379 C PRO A 27 1.182 3.694 10.478 1.00 0.00 C ATOM 380 O PRO A 27 2.110 3.587 11.281 1.00 0.00 O ATOM 381 CB PRO A 27 0.420 5.796 11.619 1.00 0.00 C ATOM 382 CG PRO A 27 0.157 5.393 13.029 1.00 0.00 C ATOM 383 CD PRO A 27 -1.055 4.504 12.986 1.00 0.00 C ATOM 0 HA PRO A 27 -0.424 4.855 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.474 6.027 11.463 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.145 6.688 11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.013 4.866 13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.021 6.266 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.014 3.732 13.754 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.973 5.068 13.149 1.00 0.00 H new ATOM 391 N LEU A 28 1.154 3.053 9.315 1.00 0.00 N ATOM 392 CA LEU A 28 2.237 2.166 8.905 1.00 0.00 C ATOM 393 C LEU A 28 3.497 2.960 8.577 1.00 0.00 C ATOM 394 O LEU A 28 4.605 2.559 8.928 1.00 0.00 O ATOM 395 CB LEU A 28 1.812 1.338 7.691 1.00 0.00 C ATOM 396 CG LEU A 28 2.944 0.809 6.809 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.461 -0.358 5.963 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.494 1.919 5.925 1.00 0.00 C ATOM 0 H LEU A 28 0.394 3.131 8.640 1.00 0.00 H new ATOM 0 HA LEU A 28 2.458 1.496 9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.226 0.489 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.152 1.948 7.074 1.00 0.00 H new ATOM 0 HG LEU A 28 3.747 0.454 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.280 -0.721 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.116 -1.161 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.640 -0.030 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.299 1.525 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.699 2.304 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.879 2.725 6.550 1.00 0.00 H new ATOM 410 N GLY A 29 3.318 4.092 7.902 1.00 0.00 N ATOM 411 CA GLY A 29 4.449 4.927 7.540 1.00 0.00 C ATOM 412 C GLY A 29 4.066 6.040 6.586 1.00 0.00 C ATOM 413 O GLY A 29 2.885 6.342 6.416 1.00 0.00 O ATOM 0 H GLY A 29 2.410 4.445 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.881 5.359 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.221 4.309 7.081 1.00 0.00 H new ATOM 417 N MET A 30 5.066 6.653 5.962 1.00 0.00 N ATOM 418 CA MET A 30 4.828 7.740 5.020 1.00 0.00 C ATOM 419 C MET A 30 5.635 7.539 3.741 1.00 0.00 C ATOM 420 O MET A 30 6.785 7.101 3.783 1.00 0.00 O ATOM 421 CB MET A 30 5.186 9.084 5.657 1.00 0.00 C ATOM 422 CG MET A 30 4.562 10.277 4.951 1.00 0.00 C ATOM 423 SD MET A 30 5.014 11.848 5.712 1.00 0.00 S ATOM 424 CE MET A 30 6.802 11.755 5.644 1.00 0.00 C ATOM 0 H MET A 30 6.049 6.415 6.092 1.00 0.00 H new ATOM 0 HA MET A 30 3.769 7.739 4.764 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.865 9.080 6.699 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.270 9.199 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.874 10.280 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.477 10.173 4.959 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.220 12.761 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.169 11.176 6.492 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.106 11.271 4.716 1.00 0.00 H new ATOM 434 N VAL A 31 5.025 7.860 2.604 1.00 0.00 N ATOM 435 CA VAL A 31 5.687 7.715 1.314 1.00 0.00 C ATOM 436 C VAL A 31 7.063 8.372 1.325 1.00 0.00 C ATOM 437 O VAL A 31 7.195 9.553 1.647 1.00 0.00 O ATOM 438 CB VAL A 31 4.846 8.329 0.179 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.542 8.145 -1.161 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.454 7.715 0.155 1.00 0.00 C ATOM 0 H VAL A 31 4.073 8.222 2.551 1.00 0.00 H new ATOM 0 HA VAL A 31 5.800 6.646 1.135 1.00 0.00 H new ATOM 0 HB VAL A 31 4.743 9.398 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.933 8.585 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.515 8.636 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.678 7.081 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.874 8.161 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.533 6.640 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.956 7.904 1.106 1.00 0.00 H new ATOM 450 N SER A 32 8.085 7.600 0.971 1.00 0.00 N ATOM 451 CA SER A 32 9.452 8.106 0.943 1.00 0.00 C ATOM 452 C SER A 32 9.954 8.235 -0.492 1.00 0.00 C ATOM 453 O SER A 32 10.664 9.182 -0.830 1.00 0.00 O ATOM 454 CB SER A 32 10.376 7.182 1.738 1.00 0.00 C ATOM 455 OG SER A 32 11.726 7.341 1.336 1.00 0.00 O ATOM 0 H SER A 32 7.992 6.621 0.699 1.00 0.00 H new ATOM 0 HA SER A 32 9.457 9.095 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.283 7.397 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.070 6.146 1.594 1.00 0.00 H new ATOM 0 HG SER A 32 12.296 6.741 1.860 1.00 0.00 H new ATOM 461 N SER A 33 9.581 7.274 -1.331 1.00 0.00 N ATOM 462 CA SER A 33 9.997 7.277 -2.729 1.00 0.00 C ATOM 463 C SER A 33 8.952 6.594 -3.608 1.00 0.00 C ATOM 464 O SER A 33 8.000 5.996 -3.107 1.00 0.00 O ATOM 465 CB SER A 33 11.347 6.575 -2.883 1.00 0.00 C ATOM 466 OG SER A 33 12.399 7.375 -2.372 1.00 0.00 O ATOM 0 H SER A 33 8.992 6.484 -1.068 1.00 0.00 H new ATOM 0 HA SER A 33 10.096 8.314 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.325 5.619 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.529 6.358 -3.935 1.00 0.00 H new ATOM 0 HG SER A 33 12.024 8.160 -1.922 1.00 0.00 H new ATOM 472 N ILE A 34 9.139 6.689 -4.920 1.00 0.00 N ATOM 473 CA ILE A 34 8.215 6.080 -5.868 1.00 0.00 C ATOM 474 C ILE A 34 8.965 5.413 -7.015 1.00 0.00 C ATOM 475 O ILE A 34 9.865 6.006 -7.611 1.00 0.00 O ATOM 476 CB ILE A 34 7.235 7.119 -6.446 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.184 7.498 -5.401 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.570 6.578 -7.702 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.588 8.672 -4.536 1.00 0.00 C ATOM 0 H ILE A 34 9.922 7.182 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 34 7.651 5.326 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 34 7.795 8.016 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.249 7.735 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.991 6.636 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.881 7.323 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.331 6.354 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.021 5.668 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.796 8.885 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.507 8.431 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.753 9.547 -5.164 1.00 0.00 H new ATOM 491 N ILE A 35 8.588 4.176 -7.321 1.00 0.00 N ATOM 492 CA ILE A 35 9.223 3.428 -8.399 1.00 0.00 C ATOM 493 C ILE A 35 8.560 3.726 -9.739 1.00 0.00 C ATOM 494 O ILE A 35 7.397 4.125 -9.792 1.00 0.00 O ATOM 495 CB ILE A 35 9.171 1.911 -8.139 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.878 1.573 -6.825 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.803 1.153 -9.297 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.510 0.213 -6.274 1.00 0.00 C ATOM 0 H ILE A 35 7.846 3.671 -6.837 1.00 0.00 H new ATOM 0 HA ILE A 35 10.265 3.746 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 35 8.128 1.606 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.956 1.613 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.634 2.334 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.759 0.082 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.260 1.374 -10.216 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.843 1.459 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.048 0.040 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.437 0.175 -6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.779 -0.557 -6.997 1.00 0.00 H new ATOM 510 N GLU A 36 9.307 3.526 -10.821 1.00 0.00 N ATOM 511 CA GLU A 36 8.790 3.773 -12.162 1.00 0.00 C ATOM 512 C GLU A 36 7.316 3.388 -12.256 1.00 0.00 C ATOM 513 O GLU A 36 6.515 4.104 -12.856 1.00 0.00 O ATOM 514 CB GLU A 36 9.600 2.989 -13.197 1.00 0.00 C ATOM 515 CG GLU A 36 11.010 3.520 -13.394 1.00 0.00 C ATOM 516 CD GLU A 36 11.089 4.576 -14.479 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.616 5.707 -14.240 1.00 0.00 O ATOM 518 OE2 GLU A 36 11.624 4.273 -15.566 1.00 0.00 O ATOM 0 H GLU A 36 10.271 3.194 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 36 8.883 4.839 -12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.654 1.945 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.075 3.013 -14.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.370 3.941 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.673 2.693 -13.648 1.00 0.00 H new ATOM 525 N GLN A 37 6.968 2.252 -11.659 1.00 0.00 N ATOM 526 CA GLN A 37 5.592 1.772 -11.677 1.00 0.00 C ATOM 527 C GLN A 37 5.064 1.579 -10.259 1.00 0.00 C ATOM 528 O GLN A 37 3.899 1.859 -9.976 1.00 0.00 O ATOM 529 CB GLN A 37 5.499 0.456 -12.452 1.00 0.00 C ATOM 530 CG GLN A 37 6.709 -0.445 -12.268 1.00 0.00 C ATOM 531 CD GLN A 37 7.801 -0.170 -13.283 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.528 0.255 -14.406 1.00 0.00 O ATOM 533 NE2 GLN A 37 9.047 -0.411 -12.891 1.00 0.00 N ATOM 0 H GLN A 37 7.619 1.648 -11.158 1.00 0.00 H new ATOM 0 HA GLN A 37 4.978 2.523 -12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.605 -0.081 -12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.378 0.676 -13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.109 -0.309 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.397 -1.486 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.227 -0.763 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.824 -0.244 -13.530 1.00 0.00 H new ATOM 542 N LEU A 38 5.928 1.099 -9.372 1.00 0.00 N ATOM 543 CA LEU A 38 5.549 0.868 -7.982 1.00 0.00 C ATOM 544 C LEU A 38 5.833 2.100 -7.129 1.00 0.00 C ATOM 545 O LEU A 38 6.399 3.083 -7.607 1.00 0.00 O ATOM 546 CB LEU A 38 6.303 -0.339 -7.421 1.00 0.00 C ATOM 547 CG LEU A 38 6.213 -1.627 -8.241 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.871 -1.714 -8.952 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.355 -1.702 -9.243 1.00 0.00 C ATOM 0 H LEU A 38 6.896 0.862 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 38 4.478 0.666 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.354 -0.070 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.927 -0.543 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 38 6.297 -2.475 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.825 -2.637 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.068 -1.707 -8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.757 -0.861 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.275 -2.625 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.303 -0.848 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.307 -1.687 -8.712 1.00 0.00 H new ATOM 561 N VAL A 39 5.437 2.040 -5.861 1.00 0.00 N ATOM 562 CA VAL A 39 5.651 3.149 -4.940 1.00 0.00 C ATOM 563 C VAL A 39 6.370 2.684 -3.678 1.00 0.00 C ATOM 564 O VAL A 39 6.105 1.596 -3.166 1.00 0.00 O ATOM 565 CB VAL A 39 4.319 3.814 -4.543 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.553 4.897 -3.501 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.622 4.383 -5.769 1.00 0.00 C ATOM 0 H VAL A 39 4.966 1.235 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 39 6.272 3.878 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 39 3.670 3.056 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.601 5.356 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.006 4.456 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.219 5.657 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.683 4.849 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.263 5.128 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.419 3.580 -6.478 1.00 0.00 H new ATOM 577 N ILE A 40 7.280 3.516 -3.183 1.00 0.00 N ATOM 578 CA ILE A 40 8.037 3.190 -1.980 1.00 0.00 C ATOM 579 C ILE A 40 7.479 3.924 -0.765 1.00 0.00 C ATOM 580 O ILE A 40 7.331 5.146 -0.779 1.00 0.00 O ATOM 581 CB ILE A 40 9.527 3.544 -2.139 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.122 2.807 -3.341 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.292 3.201 -0.869 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.139 1.303 -3.181 1.00 0.00 C ATOM 0 H ILE A 40 7.511 4.420 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 40 7.942 2.115 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 40 9.614 4.616 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.550 3.063 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.141 3.158 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.344 3.457 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.880 3.766 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.201 2.134 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.574 0.847 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.735 1.037 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.120 0.940 -3.049 1.00 0.00 H new ATOM 596 N ILE A 41 7.174 3.170 0.286 1.00 0.00 N ATOM 597 CA ILE A 41 6.636 3.749 1.510 1.00 0.00 C ATOM 598 C ILE A 41 7.558 3.485 2.695 1.00 0.00 C ATOM 599 O ILE A 41 7.777 2.337 3.079 1.00 0.00 O ATOM 600 CB ILE A 41 5.236 3.191 1.830 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.283 3.445 0.660 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.695 3.815 3.107 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.201 2.397 0.524 1.00 0.00 C ATOM 0 H ILE A 41 7.290 2.157 0.314 1.00 0.00 H new ATOM 0 HA ILE A 41 6.561 4.824 1.343 1.00 0.00 H new ATOM 0 HB ILE A 41 5.316 2.115 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.817 4.422 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.858 3.484 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.705 3.410 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.365 3.587 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.626 4.896 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.563 2.641 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.658 1.420 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.601 2.373 1.434 1.00 0.00 H new ATOM 615 N GLU A 42 8.095 4.556 3.271 1.00 0.00 N ATOM 616 CA GLU A 42 8.993 4.439 4.414 1.00 0.00 C ATOM 617 C GLU A 42 8.206 4.285 5.712 1.00 0.00 C ATOM 618 O GLU A 42 7.337 5.099 6.024 1.00 0.00 O ATOM 619 CB GLU A 42 9.906 5.664 4.500 1.00 0.00 C ATOM 620 CG GLU A 42 10.640 5.784 5.825 1.00 0.00 C ATOM 621 CD GLU A 42 11.269 7.149 6.023 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.536 8.092 6.388 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.493 7.275 5.812 1.00 0.00 O ATOM 0 H GLU A 42 7.924 5.514 2.965 1.00 0.00 H new ATOM 0 HA GLU A 42 9.604 3.548 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.637 5.620 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.310 6.563 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.944 5.587 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.416 5.020 5.877 1.00 0.00 H new ATOM 630 N SER A 43 8.516 3.234 6.464 1.00 0.00 N ATOM 631 CA SER A 43 7.835 2.969 7.726 1.00 0.00 C ATOM 632 C SER A 43 8.420 3.822 8.848 1.00 0.00 C ATOM 633 O SER A 43 9.514 4.370 8.719 1.00 0.00 O ATOM 634 CB SER A 43 7.944 1.487 8.087 1.00 0.00 C ATOM 635 OG SER A 43 9.153 1.217 8.775 1.00 0.00 O ATOM 0 H SER A 43 9.234 2.552 6.221 1.00 0.00 H new ATOM 0 HA SER A 43 6.784 3.230 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.096 1.197 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.896 0.884 7.180 1.00 0.00 H new ATOM 0 HG SER A 43 9.769 0.741 8.180 1.00 0.00 H new ATOM 641 N MET A 44 7.681 3.929 9.947 1.00 0.00 N ATOM 642 CA MET A 44 8.126 4.714 11.093 1.00 0.00 C ATOM 643 C MET A 44 8.606 3.806 12.220 1.00 0.00 C ATOM 644 O MET A 44 9.805 3.714 12.490 1.00 0.00 O ATOM 645 CB MET A 44 6.994 5.613 11.593 1.00 0.00 C ATOM 646 CG MET A 44 6.016 6.023 10.503 1.00 0.00 C ATOM 647 SD MET A 44 5.259 7.628 10.818 1.00 0.00 S ATOM 648 CE MET A 44 5.414 8.398 9.208 1.00 0.00 C ATOM 0 H MET A 44 6.772 3.483 10.069 1.00 0.00 H new ATOM 0 HA MET A 44 8.961 5.338 10.773 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.450 5.093 12.381 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.424 6.509 12.040 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.536 6.053 9.546 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.235 5.268 10.418 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.500 8.945 8.977 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.258 9.088 9.214 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.579 7.630 8.452 1.00 0.00 H new ATOM 658 N THR A 45 7.664 3.136 12.877 1.00 0.00 N ATOM 659 CA THR A 45 7.992 2.237 13.976 1.00 0.00 C ATOM 660 C THR A 45 6.745 1.531 14.499 1.00 0.00 C ATOM 661 O THR A 45 5.642 1.751 14.001 1.00 0.00 O ATOM 662 CB THR A 45 8.665 2.991 15.138 1.00 0.00 C ATOM 663 OG1 THR A 45 9.161 2.059 16.105 1.00 0.00 O ATOM 664 CG2 THR A 45 7.686 3.947 15.803 1.00 0.00 C ATOM 0 H THR A 45 6.668 3.199 12.667 1.00 0.00 H new ATOM 0 HA THR A 45 8.688 1.497 13.581 1.00 0.00 H new ATOM 0 HB THR A 45 9.495 3.570 14.733 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.595 1.310 15.645 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.184 4.468 16.621 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.333 4.674 15.071 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.838 3.385 16.194 1.00 0.00 H new ATOM 672 N ASN A 46 6.929 0.683 15.505 1.00 0.00 N ATOM 673 CA ASN A 46 5.819 -0.056 16.095 1.00 0.00 C ATOM 674 C ASN A 46 4.959 -0.701 15.013 1.00 0.00 C ATOM 675 O ASN A 46 3.739 -0.803 15.152 1.00 0.00 O ATOM 676 CB ASN A 46 4.962 0.874 16.957 1.00 0.00 C ATOM 677 CG ASN A 46 4.257 0.135 18.079 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.718 0.133 19.220 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.134 -0.496 17.757 1.00 0.00 N ATOM 0 H ASN A 46 7.836 0.490 15.929 1.00 0.00 H new ATOM 0 HA ASN A 46 6.233 -0.845 16.723 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.592 1.656 17.380 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.221 1.367 16.328 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.616 -1.010 18.469 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.790 -0.467 16.797 1.00 0.00 H new ATOM 686 N LEU A 47 5.602 -1.136 13.935 1.00 0.00 N ATOM 687 CA LEU A 47 4.896 -1.773 12.828 1.00 0.00 C ATOM 688 C LEU A 47 4.669 -3.255 13.108 1.00 0.00 C ATOM 689 O LEU A 47 5.592 -3.996 13.449 1.00 0.00 O ATOM 690 CB LEU A 47 5.686 -1.602 11.529 1.00 0.00 C ATOM 691 CG LEU A 47 5.401 -0.327 10.733 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.290 0.810 11.212 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.601 -0.572 9.245 1.00 0.00 C ATOM 0 H LEU A 47 6.611 -1.059 13.804 1.00 0.00 H new ATOM 0 HA LEU A 47 3.925 -1.290 12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.749 -1.627 11.768 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.483 -2.460 10.888 1.00 0.00 H new ATOM 0 HG LEU A 47 4.362 -0.043 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.074 1.709 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.098 1.002 12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.336 0.535 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.394 0.345 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.630 -0.881 9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.922 -1.357 8.911 1.00 0.00 H new ATOM 705 N PRO A 48 3.413 -3.700 12.958 1.00 0.00 N ATOM 706 CA PRO A 48 3.036 -5.098 13.187 1.00 0.00 C ATOM 707 C PRO A 48 3.598 -6.032 12.120 1.00 0.00 C ATOM 708 O PRO A 48 4.004 -5.605 11.039 1.00 0.00 O ATOM 709 CB PRO A 48 1.507 -5.068 13.120 1.00 0.00 C ATOM 710 CG PRO A 48 1.187 -3.885 12.274 1.00 0.00 C ATOM 711 CD PRO A 48 2.264 -2.873 12.554 1.00 0.00 C ATOM 0 HA PRO A 48 3.428 -5.477 14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.112 -5.985 12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.069 -4.974 14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.169 -4.154 11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.203 -3.485 12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.491 -2.273 11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.970 -2.181 13.343 1.00 0.00 H new ATOM 719 N PRO A 49 3.621 -7.337 12.429 1.00 0.00 N ATOM 720 CA PRO A 49 4.130 -8.358 11.508 1.00 0.00 C ATOM 721 C PRO A 49 3.218 -8.559 10.303 1.00 0.00 C ATOM 722 O PRO A 49 2.428 -9.502 10.260 1.00 0.00 O ATOM 723 CB PRO A 49 4.167 -9.624 12.368 1.00 0.00 C ATOM 724 CG PRO A 49 3.140 -9.395 13.424 1.00 0.00 C ATOM 725 CD PRO A 49 3.153 -7.916 13.699 1.00 0.00 C ATOM 0 HA PRO A 49 5.098 -8.082 11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.937 -10.511 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.154 -9.778 12.803 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.156 -9.721 13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.374 -9.962 14.325 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.163 -7.548 13.967 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.820 -7.667 14.524 1.00 0.00 H new ATOM 733 N VAL A 50 3.333 -7.667 9.324 1.00 0.00 N ATOM 734 CA VAL A 50 2.520 -7.747 8.117 1.00 0.00 C ATOM 735 C VAL A 50 3.330 -8.287 6.944 1.00 0.00 C ATOM 736 O VAL A 50 4.454 -7.851 6.700 1.00 0.00 O ATOM 737 CB VAL A 50 1.941 -6.372 7.738 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.637 -6.118 8.479 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.950 -5.271 8.026 1.00 0.00 C ATOM 0 H VAL A 50 3.982 -6.880 9.344 1.00 0.00 H new ATOM 0 HA VAL A 50 1.699 -8.431 8.333 1.00 0.00 H new ATOM 0 HB VAL A 50 1.730 -6.369 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.243 -5.141 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.087 -6.890 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.819 -6.140 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.524 -4.306 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.195 -5.271 9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.855 -5.446 7.445 1.00 0.00 H new ATOM 749 N ASN A 51 2.750 -9.238 6.219 1.00 0.00 N ATOM 750 CA ASN A 51 3.418 -9.838 5.070 1.00 0.00 C ATOM 751 C ASN A 51 2.985 -9.160 3.774 1.00 0.00 C ATOM 752 O ASN A 51 2.093 -8.313 3.774 1.00 0.00 O ATOM 753 CB ASN A 51 3.115 -11.336 5.001 1.00 0.00 C ATOM 754 CG ASN A 51 3.533 -12.069 6.262 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.688 -11.994 6.682 1.00 0.00 O ATOM 756 ND2 ASN A 51 2.593 -12.782 6.871 1.00 0.00 N ATOM 0 H ASN A 51 1.819 -9.610 6.407 1.00 0.00 H new ATOM 0 HA ASN A 51 4.492 -9.697 5.192 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.047 -11.481 4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.631 -11.769 4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.815 -13.297 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.649 -12.815 6.487 1.00 0.00 H new ATOM 763 N GLU A 52 3.622 -9.541 2.671 1.00 0.00 N ATOM 764 CA GLU A 52 3.302 -8.969 1.368 1.00 0.00 C ATOM 765 C GLU A 52 1.799 -9.013 1.110 1.00 0.00 C ATOM 766 O GLU A 52 1.194 -8.009 0.736 1.00 0.00 O ATOM 767 CB GLU A 52 4.043 -9.721 0.261 1.00 0.00 C ATOM 768 CG GLU A 52 5.556 -9.673 0.399 1.00 0.00 C ATOM 769 CD GLU A 52 6.267 -10.424 -0.709 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.881 -10.255 -1.884 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.211 -11.181 -0.400 1.00 0.00 O ATOM 0 H GLU A 52 4.362 -10.243 2.654 1.00 0.00 H new ATOM 0 HA GLU A 52 3.623 -7.927 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.720 -10.762 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.761 -9.300 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.884 -8.634 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.843 -10.096 1.362 1.00 0.00 H new ATOM 778 N GLU A 53 1.204 -10.185 1.310 1.00 0.00 N ATOM 779 CA GLU A 53 -0.228 -10.360 1.097 1.00 0.00 C ATOM 780 C GLU A 53 -1.021 -9.255 1.791 1.00 0.00 C ATOM 781 O GLU A 53 -2.164 -8.975 1.430 1.00 0.00 O ATOM 782 CB GLU A 53 -0.680 -11.728 1.614 1.00 0.00 C ATOM 783 CG GLU A 53 -2.034 -12.164 1.080 1.00 0.00 C ATOM 784 CD GLU A 53 -2.612 -13.338 1.845 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.107 -14.467 1.669 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.569 -13.129 2.620 1.00 0.00 O ATOM 0 H GLU A 53 1.691 -11.026 1.619 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.419 -10.303 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.066 -12.475 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.720 -11.700 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.728 -11.325 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.936 -12.433 0.028 1.00 0.00 H new ATOM 793 N THR A 54 -0.404 -8.631 2.789 1.00 0.00 N ATOM 794 CA THR A 54 -1.051 -7.558 3.535 1.00 0.00 C ATOM 795 C THR A 54 -1.439 -6.406 2.616 1.00 0.00 C ATOM 796 O THR A 54 -0.626 -5.932 1.821 1.00 0.00 O ATOM 797 CB THR A 54 -0.138 -7.023 4.654 1.00 0.00 C ATOM 798 OG1 THR A 54 0.221 -8.086 5.544 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.831 -5.915 5.434 1.00 0.00 C ATOM 0 H THR A 54 0.543 -8.850 3.100 1.00 0.00 H new ATOM 0 HA THR A 54 -1.951 -7.981 3.982 1.00 0.00 H new ATOM 0 HB THR A 54 0.762 -6.615 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.773 -8.740 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.167 -5.553 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.077 -5.095 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.745 -6.303 5.883 1.00 0.00 H new ATOM 807 N VAL A 55 -2.685 -5.957 2.730 1.00 0.00 N ATOM 808 CA VAL A 55 -3.179 -4.858 1.910 1.00 0.00 C ATOM 809 C VAL A 55 -2.918 -3.513 2.578 1.00 0.00 C ATOM 810 O VAL A 55 -3.068 -3.372 3.793 1.00 0.00 O ATOM 811 CB VAL A 55 -4.688 -4.998 1.635 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.161 -3.908 0.684 1.00 0.00 C ATOM 813 CG2 VAL A 55 -5.002 -6.377 1.076 1.00 0.00 C ATOM 0 H VAL A 55 -3.370 -6.338 3.382 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.639 -4.901 0.964 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.223 -4.883 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.229 -4.023 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.972 -2.931 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.621 -3.989 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.073 -6.458 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.457 -6.524 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.701 -7.138 1.796 1.00 0.00 H new ATOM 823 N ILE A 56 -2.528 -2.526 1.778 1.00 0.00 N ATOM 824 CA ILE A 56 -2.248 -1.192 2.293 1.00 0.00 C ATOM 825 C ILE A 56 -3.405 -0.239 2.010 1.00 0.00 C ATOM 826 O ILE A 56 -3.777 -0.022 0.857 1.00 0.00 O ATOM 827 CB ILE A 56 -0.959 -0.611 1.680 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.201 -1.593 1.855 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.627 0.730 2.318 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.221 -2.270 3.208 1.00 0.00 C ATOM 0 H ILE A 56 -2.399 -2.625 0.771 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.117 -1.291 3.370 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.119 -0.453 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.142 -2.355 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.141 -1.061 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.286 1.128 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.447 1.427 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.482 0.597 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.070 -2.952 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.311 -1.517 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.704 -2.830 3.348 1.00 0.00 H new ATOM 842 N PHE A 57 -3.969 0.328 3.071 1.00 0.00 N ATOM 843 CA PHE A 57 -5.084 1.258 2.938 1.00 0.00 C ATOM 844 C PHE A 57 -4.589 2.701 2.914 1.00 0.00 C ATOM 845 O PHE A 57 -3.556 3.025 3.502 1.00 0.00 O ATOM 846 CB PHE A 57 -6.076 1.067 4.087 1.00 0.00 C ATOM 847 CG PHE A 57 -6.991 -0.110 3.899 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.476 -1.389 3.762 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.365 0.063 3.861 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.315 -2.474 3.588 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.209 -1.018 3.688 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.683 -2.288 3.552 1.00 0.00 C ATOM 0 H PHE A 57 -3.672 0.160 4.032 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.587 1.049 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.522 0.942 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.676 1.971 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.407 -1.540 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.781 1.054 3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.901 -3.466 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.278 -0.870 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.341 -3.134 3.418 1.00 0.00 H new ATOM 862 N LYS A 58 -5.332 3.565 2.231 1.00 0.00 N ATOM 863 CA LYS A 58 -4.971 4.974 2.130 1.00 0.00 C ATOM 864 C LYS A 58 -5.587 5.777 3.271 1.00 0.00 C ATOM 865 O LYS A 58 -6.353 5.244 4.074 1.00 0.00 O ATOM 866 CB LYS A 58 -5.429 5.544 0.785 1.00 0.00 C ATOM 867 CG LYS A 58 -4.461 5.270 -0.353 1.00 0.00 C ATOM 868 CD LYS A 58 -5.185 5.149 -1.683 1.00 0.00 C ATOM 869 CE LYS A 58 -6.069 6.357 -1.949 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.752 6.266 -3.269 1.00 0.00 N ATOM 0 H LYS A 58 -6.189 3.314 1.738 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.886 5.051 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.402 5.121 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.565 6.621 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.727 6.074 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.912 4.350 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.456 5.046 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.793 4.244 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.815 6.441 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.465 7.264 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.555 7.124 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.401 5.434 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.778 6.176 -3.124 1.00 0.00 H new ATOM 884 N SER A 59 -5.250 7.061 3.334 1.00 0.00 N ATOM 885 CA SER A 59 -5.769 7.937 4.379 1.00 0.00 C ATOM 886 C SER A 59 -7.270 8.153 4.210 1.00 0.00 C ATOM 887 O SER A 59 -7.971 8.489 5.164 1.00 0.00 O ATOM 888 CB SER A 59 -5.042 9.283 4.353 1.00 0.00 C ATOM 889 OG SER A 59 -3.668 9.114 4.052 1.00 0.00 O ATOM 0 H SER A 59 -4.620 7.518 2.674 1.00 0.00 H new ATOM 0 HA SER A 59 -5.595 7.457 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.503 9.935 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.148 9.776 5.319 1.00 0.00 H new ATOM 0 HG SER A 59 -3.231 8.626 4.781 1.00 0.00 H new ATOM 895 N ASP A 60 -7.756 7.957 2.989 1.00 0.00 N ATOM 896 CA ASP A 60 -9.174 8.129 2.694 1.00 0.00 C ATOM 897 C ASP A 60 -9.925 6.810 2.847 1.00 0.00 C ATOM 898 O ASP A 60 -11.042 6.660 2.352 1.00 0.00 O ATOM 899 CB ASP A 60 -9.359 8.674 1.277 1.00 0.00 C ATOM 900 CG ASP A 60 -9.245 10.185 1.218 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.817 10.858 2.102 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.585 10.695 0.289 1.00 0.00 O ATOM 0 H ASP A 60 -7.189 7.679 2.188 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.584 8.844 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.611 8.230 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.336 8.371 0.899 1.00 0.00 H new ATOM 907 N ARG A 61 -9.303 5.857 3.533 1.00 0.00 N ATOM 908 CA ARG A 61 -9.911 4.550 3.749 1.00 0.00 C ATOM 909 C ARG A 61 -10.083 3.806 2.428 1.00 0.00 C ATOM 910 O ARG A 61 -11.047 3.064 2.245 1.00 0.00 O ATOM 911 CB ARG A 61 -11.267 4.703 4.440 1.00 0.00 C ATOM 912 CG ARG A 61 -11.265 5.723 5.567 1.00 0.00 C ATOM 913 CD ARG A 61 -12.342 5.419 6.596 1.00 0.00 C ATOM 914 NE ARG A 61 -13.635 5.985 6.219 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.951 7.265 6.379 1.00 0.00 C ATOM 916 NH1 ARG A 61 -13.074 8.108 6.906 1.00 0.00 N ATOM 917 NH2 ARG A 61 -15.148 7.705 6.010 1.00 0.00 N ATOM 0 H ARG A 61 -8.378 5.966 3.949 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.247 3.970 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.012 4.994 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.574 3.736 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.289 5.729 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.424 6.720 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.439 4.339 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.041 5.817 7.565 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.333 5.363 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.153 7.774 7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.320 9.090 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.825 7.060 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.390 8.688 6.133 1.00 0.00 H new ATOM 931 N GLN A 62 -9.141 4.010 1.513 1.00 0.00 N ATOM 932 CA GLN A 62 -9.189 3.359 0.209 1.00 0.00 C ATOM 933 C GLN A 62 -7.998 2.425 0.023 1.00 0.00 C ATOM 934 O GLN A 62 -6.847 2.860 0.041 1.00 0.00 O ATOM 935 CB GLN A 62 -9.212 4.405 -0.906 1.00 0.00 C ATOM 936 CG GLN A 62 -10.613 4.846 -1.298 1.00 0.00 C ATOM 937 CD GLN A 62 -10.613 6.101 -2.149 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.294 7.234 -1.534 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -10.896 6.053 -3.347 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.336 4.621 1.650 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.103 2.767 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.642 5.277 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.709 3.999 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.104 4.041 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.200 5.023 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.135 5.161 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.891 6.906 -3.907 1.00 0.00 H new ATOM 948 N ALA A 63 -8.283 1.139 -0.157 1.00 0.00 N ATOM 949 CA ALA A 63 -7.235 0.144 -0.348 1.00 0.00 C ATOM 950 C ALA A 63 -6.308 0.537 -1.493 1.00 0.00 C ATOM 951 O ALA A 63 -6.597 0.267 -2.659 1.00 0.00 O ATOM 952 CB ALA A 63 -7.848 -1.224 -0.608 1.00 0.00 C ATOM 0 H ALA A 63 -9.231 0.762 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.642 0.096 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.054 -1.958 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.464 -1.515 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.466 -1.181 -1.505 1.00 0.00 H new ATOM 958 N ALA A 64 -5.193 1.175 -1.154 1.00 0.00 N ATOM 959 CA ALA A 64 -4.223 1.604 -2.154 1.00 0.00 C ATOM 960 C ALA A 64 -3.717 0.419 -2.970 1.00 0.00 C ATOM 961 O ALA A 64 -3.504 0.530 -4.177 1.00 0.00 O ATOM 962 CB ALA A 64 -3.060 2.323 -1.487 1.00 0.00 C ATOM 0 H ALA A 64 -4.939 1.406 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.720 2.295 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.343 2.638 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.431 3.198 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.571 1.649 -0.783 1.00 0.00 H new ATOM 968 N GLY A 65 -3.525 -0.715 -2.303 1.00 0.00 N ATOM 969 CA GLY A 65 -3.044 -1.903 -2.983 1.00 0.00 C ATOM 970 C GLY A 65 -2.252 -2.815 -2.066 1.00 0.00 C ATOM 971 O GLY A 65 -1.865 -2.419 -0.967 1.00 0.00 O ATOM 0 H GLY A 65 -3.694 -0.832 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.892 -2.452 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.419 -1.608 -3.825 1.00 0.00 H new ATOM 975 N LYS A 66 -2.011 -4.041 -2.518 1.00 0.00 N ATOM 976 CA LYS A 66 -1.261 -5.013 -1.732 1.00 0.00 C ATOM 977 C LYS A 66 0.241 -4.832 -1.932 1.00 0.00 C ATOM 978 O LYS A 66 0.690 -4.448 -3.013 1.00 0.00 O ATOM 979 CB LYS A 66 -1.670 -6.436 -2.118 1.00 0.00 C ATOM 980 CG LYS A 66 -2.834 -6.976 -1.305 1.00 0.00 C ATOM 981 CD LYS A 66 -3.136 -8.423 -1.656 1.00 0.00 C ATOM 982 CE LYS A 66 -4.543 -8.817 -1.235 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.937 -10.143 -1.788 1.00 0.00 N ATOM 0 H LYS A 66 -2.325 -4.385 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.492 -4.848 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.936 -6.454 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.813 -7.098 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.603 -6.899 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.719 -6.365 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.022 -8.569 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.413 -9.076 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.602 -8.845 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.249 -8.058 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.902 -10.375 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.906 -10.109 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.279 -10.872 -1.445 1.00 0.00 H new ATOM 997 N ILE A 67 1.010 -5.113 -0.887 1.00 0.00 N ATOM 998 CA ILE A 67 2.461 -4.983 -0.950 1.00 0.00 C ATOM 999 C ILE A 67 3.035 -5.791 -2.109 1.00 0.00 C ATOM 1000 O ILE A 67 2.594 -6.909 -2.379 1.00 0.00 O ATOM 1001 CB ILE A 67 3.125 -5.444 0.361 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.022 -4.348 1.424 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.579 -5.817 0.116 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.007 -4.878 2.840 1.00 0.00 C ATOM 0 H ILE A 67 0.654 -5.432 0.014 1.00 0.00 H new ATOM 0 HA ILE A 67 2.677 -3.926 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 67 2.600 -6.327 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.862 -3.663 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.114 -3.770 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.034 -6.141 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.629 -6.627 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.117 -4.951 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.932 -4.045 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.151 -5.540 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.927 -5.431 3.031 1.00 0.00 H new ATOM 1016 N PHE A 68 4.023 -5.219 -2.789 1.00 0.00 N ATOM 1017 CA PHE A 68 4.659 -5.886 -3.919 1.00 0.00 C ATOM 1018 C PHE A 68 6.056 -6.374 -3.547 1.00 0.00 C ATOM 1019 O PHE A 68 6.549 -7.356 -4.100 1.00 0.00 O ATOM 1020 CB PHE A 68 4.740 -4.939 -5.118 1.00 0.00 C ATOM 1021 CG PHE A 68 5.793 -5.326 -6.117 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.617 -6.429 -6.937 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.958 -4.585 -6.238 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.585 -6.787 -7.856 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.929 -4.938 -7.156 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.741 -6.040 -7.967 1.00 0.00 C ATOM 0 H PHE A 68 4.401 -4.295 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 68 4.051 -6.750 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.771 -4.912 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.943 -3.929 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.714 -7.015 -6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.109 -3.721 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.437 -7.651 -8.487 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.833 -4.353 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.497 -6.317 -8.687 1.00 0.00 H new ATOM 1036 N GLU A 69 6.687 -5.680 -2.605 1.00 0.00 N ATOM 1037 CA GLU A 69 8.027 -6.042 -2.160 1.00 0.00 C ATOM 1038 C GLU A 69 8.402 -5.283 -0.889 1.00 0.00 C ATOM 1039 O GLU A 69 7.949 -4.160 -0.669 1.00 0.00 O ATOM 1040 CB GLU A 69 9.050 -5.752 -3.260 1.00 0.00 C ATOM 1041 CG GLU A 69 10.492 -5.898 -2.805 1.00 0.00 C ATOM 1042 CD GLU A 69 11.442 -6.177 -3.954 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.892 -5.209 -4.601 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.734 -7.365 -4.205 1.00 0.00 O ATOM 0 H GLU A 69 6.292 -4.865 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 69 8.033 -7.110 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.872 -6.427 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.896 -4.738 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.802 -4.986 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.559 -6.708 -2.078 1.00 0.00 H new ATOM 1051 N ILE A 70 9.231 -5.906 -0.058 1.00 0.00 N ATOM 1052 CA ILE A 70 9.667 -5.290 1.189 1.00 0.00 C ATOM 1053 C ILE A 70 11.184 -5.344 1.328 1.00 0.00 C ATOM 1054 O ILE A 70 11.794 -6.405 1.188 1.00 0.00 O ATOM 1055 CB ILE A 70 9.026 -5.976 2.409 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.500 -5.933 2.304 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.493 -5.312 3.696 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.803 -6.936 3.196 1.00 0.00 C ATOM 0 H ILE A 70 9.614 -6.836 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 70 9.345 -4.249 1.157 1.00 0.00 H new ATOM 0 HB ILE A 70 9.340 -7.020 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.155 -4.931 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.210 -6.116 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.031 -5.808 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.577 -5.391 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.205 -4.261 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.724 -6.848 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.119 -7.944 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.063 -6.740 4.236 1.00 0.00 H new ATOM 1070 N PHE A 71 11.789 -4.194 1.606 1.00 0.00 N ATOM 1071 CA PHE A 71 13.236 -4.110 1.765 1.00 0.00 C ATOM 1072 C PHE A 71 13.603 -3.184 2.921 1.00 0.00 C ATOM 1073 O PHE A 71 12.740 -2.528 3.504 1.00 0.00 O ATOM 1074 CB PHE A 71 13.884 -3.610 0.472 1.00 0.00 C ATOM 1075 CG PHE A 71 13.387 -2.263 0.033 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.998 -1.104 0.483 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.307 -2.155 -0.828 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.543 0.138 0.081 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.847 -0.916 -1.234 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.466 0.232 -0.778 1.00 0.00 C ATOM 0 H PHE A 71 11.300 -3.307 1.726 1.00 0.00 H new ATOM 0 HA PHE A 71 13.610 -5.109 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.964 -3.562 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.697 -4.333 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.840 -1.172 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.819 -3.049 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.029 1.034 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.005 -0.846 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.108 1.201 -1.093 1.00 0.00 H new ATOM 1090 N GLY A 72 14.891 -3.138 3.249 1.00 0.00 N ATOM 1091 CA GLY A 72 15.350 -2.292 4.335 1.00 0.00 C ATOM 1092 C GLY A 72 15.656 -3.079 5.594 1.00 0.00 C ATOM 1093 O GLY A 72 15.781 -4.303 5.571 1.00 0.00 O ATOM 0 H GLY A 72 15.624 -3.671 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.244 -1.755 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.589 -1.543 4.554 1.00 0.00 H new ATOM 1097 N PRO A 73 15.782 -2.368 6.724 1.00 0.00 N ATOM 1098 CA PRO A 73 16.078 -2.987 8.020 1.00 0.00 C ATOM 1099 C PRO A 73 14.907 -3.807 8.551 1.00 0.00 C ATOM 1100 O PRO A 73 13.989 -4.152 7.806 1.00 0.00 O ATOM 1101 CB PRO A 73 16.348 -1.788 8.932 1.00 0.00 C ATOM 1102 CG PRO A 73 15.601 -0.660 8.308 1.00 0.00 C ATOM 1103 CD PRO A 73 15.646 -0.905 6.825 1.00 0.00 C ATOM 0 HA PRO A 73 16.910 -3.688 7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.002 -1.978 9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.414 -1.570 8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.572 -0.627 8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.058 0.297 8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.741 -0.551 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.486 -0.390 6.358 1.00 0.00 H new ATOM 1111 N VAL A 74 14.945 -4.117 9.843 1.00 0.00 N ATOM 1112 CA VAL A 74 13.886 -4.896 10.474 1.00 0.00 C ATOM 1113 C VAL A 74 13.034 -4.024 11.389 1.00 0.00 C ATOM 1114 O VAL A 74 12.015 -4.470 11.916 1.00 0.00 O ATOM 1115 CB VAL A 74 14.462 -6.068 11.290 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.260 -5.552 12.477 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.347 -6.996 11.749 1.00 0.00 C ATOM 0 H VAL A 74 15.698 -3.841 10.473 1.00 0.00 H new ATOM 0 HA VAL A 74 13.264 -5.293 9.672 1.00 0.00 H new ATOM 0 HB VAL A 74 15.137 -6.637 10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.659 -6.395 13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.083 -4.932 12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.611 -4.959 13.121 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.772 -7.819 12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.646 -6.442 12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.824 -7.394 10.880 1.00 0.00 H new ATOM 1127 N ALA A 75 13.458 -2.778 11.574 1.00 0.00 N ATOM 1128 CA ALA A 75 12.732 -1.842 12.424 1.00 0.00 C ATOM 1129 C ALA A 75 12.172 -0.682 11.609 1.00 0.00 C ATOM 1130 O ALA A 75 11.117 -0.135 11.933 1.00 0.00 O ATOM 1131 CB ALA A 75 13.638 -1.324 13.531 1.00 0.00 C ATOM 0 H ALA A 75 14.301 -2.393 11.147 1.00 0.00 H new ATOM 0 HA ALA A 75 11.893 -2.373 12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.083 -0.626 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.986 -2.160 14.138 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.495 -0.814 13.091 1.00 0.00 H new ATOM 1137 N HIS A 76 12.885 -0.309 10.551 1.00 0.00 N ATOM 1138 CA HIS A 76 12.458 0.788 9.689 1.00 0.00 C ATOM 1139 C HIS A 76 12.447 0.356 8.226 1.00 0.00 C ATOM 1140 O HIS A 76 12.938 1.060 7.342 1.00 0.00 O ATOM 1141 CB HIS A 76 13.379 1.994 9.870 1.00 0.00 C ATOM 1142 CG HIS A 76 13.323 2.589 11.244 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.617 3.737 11.539 1.00 0.00 N ATOM 1144 CD2 HIS A 76 13.890 2.189 12.406 1.00 0.00 C ATOM 1145 CE1 HIS A 76 12.754 4.017 12.823 1.00 0.00 C ATOM 1146 NE2 HIS A 76 13.521 3.092 13.372 1.00 0.00 N ATOM 0 H HIS A 76 13.761 -0.750 10.270 1.00 0.00 H new ATOM 0 HA HIS A 76 11.444 1.069 9.974 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.404 1.693 9.655 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.111 2.758 9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.516 1.321 12.547 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.314 4.859 13.336 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.795 3.055 14.354 1.00 0.00 H new ATOM 1154 N PRO A 77 11.875 -0.828 7.961 1.00 0.00 N ATOM 1155 CA PRO A 77 11.787 -1.379 6.606 1.00 0.00 C ATOM 1156 C PRO A 77 10.814 -0.602 5.726 1.00 0.00 C ATOM 1157 O PRO A 77 9.863 0.004 6.220 1.00 0.00 O ATOM 1158 CB PRO A 77 11.279 -2.805 6.836 1.00 0.00 C ATOM 1159 CG PRO A 77 10.549 -2.743 8.133 1.00 0.00 C ATOM 1160 CD PRO A 77 11.270 -1.719 8.965 1.00 0.00 C ATOM 0 HA PRO A 77 12.742 -1.331 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.623 -3.127 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.103 -3.517 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.507 -2.460 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.546 -3.715 8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.586 -1.180 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.026 -2.179 9.602 1.00 0.00 H new ATOM 1168 N PHE A 78 11.056 -0.625 4.420 1.00 0.00 N ATOM 1169 CA PHE A 78 10.201 0.078 3.471 1.00 0.00 C ATOM 1170 C PHE A 78 9.393 -0.909 2.632 1.00 0.00 C ATOM 1171 O PHE A 78 9.932 -1.889 2.117 1.00 0.00 O ATOM 1172 CB PHE A 78 11.043 0.971 2.558 1.00 0.00 C ATOM 1173 CG PHE A 78 12.202 1.621 3.258 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.309 0.877 3.632 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.183 2.977 3.543 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.377 1.472 4.276 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.249 3.578 4.186 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.346 2.825 4.555 1.00 0.00 C ATOM 0 H PHE A 78 11.838 -1.123 3.994 1.00 0.00 H new ATOM 0 HA PHE A 78 9.507 0.700 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.419 0.375 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.405 1.746 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.338 -0.181 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.326 3.571 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.235 0.881 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.224 4.636 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.178 3.293 5.061 1.00 0.00 H new ATOM 1188 N TYR A 79 8.099 -0.642 2.501 1.00 0.00 N ATOM 1189 CA TYR A 79 7.215 -1.507 1.728 1.00 0.00 C ATOM 1190 C TYR A 79 6.904 -0.892 0.367 1.00 0.00 C ATOM 1191 O TYR A 79 6.808 0.328 0.231 1.00 0.00 O ATOM 1192 CB TYR A 79 5.916 -1.760 2.494 1.00 0.00 C ATOM 1193 CG TYR A 79 6.132 -2.176 3.932 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.549 -1.257 4.887 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.919 -3.489 4.335 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.749 -1.633 6.201 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.114 -3.873 5.648 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.530 -2.942 6.577 1.00 0.00 C ATOM 1199 OH TYR A 79 6.726 -3.320 7.885 1.00 0.00 O ATOM 0 H TYR A 79 7.638 0.166 2.920 1.00 0.00 H new ATOM 0 HA TYR A 79 7.726 -2.457 1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.310 -0.854 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.347 -2.536 1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.720 -0.231 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.596 -4.221 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.075 -0.906 6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.942 -4.897 5.945 1.00 0.00 H new ATOM 0 HH TYR A 79 6.527 -4.275 7.983 1.00 0.00 H new ATOM 1209 N VAL A 80 6.748 -1.746 -0.640 1.00 0.00 N ATOM 1210 CA VAL A 80 6.446 -1.288 -1.991 1.00 0.00 C ATOM 1211 C VAL A 80 5.005 -1.608 -2.370 1.00 0.00 C ATOM 1212 O VAL A 80 4.443 -2.612 -1.929 1.00 0.00 O ATOM 1213 CB VAL A 80 7.392 -1.928 -3.025 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.176 -1.312 -4.399 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.840 -1.778 -2.585 1.00 0.00 C ATOM 0 H VAL A 80 6.826 -2.759 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 80 6.589 -0.207 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 80 7.165 -2.992 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.853 -1.776 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.145 -1.476 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.375 -0.241 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.495 -2.235 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.083 -0.720 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.981 -2.271 -1.623 1.00 0.00 H new ATOM 1225 N LEU A 81 4.410 -0.749 -3.191 1.00 0.00 N ATOM 1226 CA LEU A 81 3.033 -0.940 -3.631 1.00 0.00 C ATOM 1227 C LEU A 81 2.977 -1.264 -5.121 1.00 0.00 C ATOM 1228 O LEU A 81 3.786 -0.767 -5.905 1.00 0.00 O ATOM 1229 CB LEU A 81 2.204 0.312 -3.339 1.00 0.00 C ATOM 1230 CG LEU A 81 1.579 0.392 -1.946 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.537 1.498 -1.892 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.961 -0.944 -1.560 1.00 0.00 C ATOM 0 H LEU A 81 4.860 0.086 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 81 2.615 -1.782 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.840 1.186 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.405 0.375 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 81 2.366 0.626 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.103 1.540 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.008 2.453 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.248 1.294 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.521 -0.868 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.187 -1.208 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.732 -1.714 -1.557 1.00 0.00 H new ATOM 1244 N ARG A 82 2.016 -2.098 -5.505 1.00 0.00 N ATOM 1245 CA ARG A 82 1.854 -2.487 -6.901 1.00 0.00 C ATOM 1246 C ARG A 82 0.980 -1.483 -7.647 1.00 0.00 C ATOM 1247 O ARG A 82 -0.015 -0.993 -7.112 1.00 0.00 O ATOM 1248 CB ARG A 82 1.240 -3.884 -6.995 1.00 0.00 C ATOM 1249 CG ARG A 82 0.852 -4.285 -8.409 1.00 0.00 C ATOM 1250 CD ARG A 82 2.077 -4.567 -9.264 1.00 0.00 C ATOM 1251 NE ARG A 82 1.720 -4.898 -10.641 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.589 -4.900 -11.645 1.00 0.00 C ATOM 1253 NH1 ARG A 82 3.859 -4.590 -11.428 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.187 -5.213 -12.871 1.00 0.00 N ATOM 0 H ARG A 82 1.338 -2.517 -4.869 1.00 0.00 H new ATOM 0 HA ARG A 82 2.840 -2.500 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.951 -4.611 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.356 -3.927 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.218 -5.171 -8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.264 -3.489 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.731 -3.695 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.641 -5.391 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 82 0.750 -5.141 -10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.172 -4.349 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.524 -4.593 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.210 -5.452 -13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.855 -5.214 -13.642 1.00 0.00 H new ATOM 1268 N PHE A 83 1.358 -1.182 -8.884 1.00 0.00 N ATOM 1269 CA PHE A 83 0.610 -0.236 -9.703 1.00 0.00 C ATOM 1270 C PHE A 83 0.976 -0.384 -11.177 1.00 0.00 C ATOM 1271 O PHE A 83 2.152 -0.400 -11.537 1.00 0.00 O ATOM 1272 CB PHE A 83 0.880 1.197 -9.241 1.00 0.00 C ATOM 1273 CG PHE A 83 0.188 1.553 -7.956 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.195 1.573 -7.881 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.922 1.868 -6.823 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.835 1.899 -6.699 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.288 2.194 -5.639 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.092 2.211 -5.578 1.00 0.00 C ATOM 0 H PHE A 83 2.178 -1.580 -9.342 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.452 -0.454 -9.586 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.954 1.334 -9.116 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.559 1.888 -10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.780 1.331 -8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.001 1.859 -6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.914 1.909 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.871 2.435 -4.762 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.589 2.468 -4.654 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.041 -0.493 -12.026 1.00 0.00 N ATOM 1289 CA ASN A 84 0.172 -0.641 -13.461 1.00 0.00 C ATOM 1290 C ASN A 84 1.213 0.356 -13.961 1.00 0.00 C ATOM 1291 O ASN A 84 2.187 -0.023 -14.612 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.143 -0.445 -14.216 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.944 -1.728 -14.327 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.578 -2.638 -15.071 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.043 -1.806 -13.586 1.00 0.00 N ATOM 0 H ASN A 84 -1.021 -0.482 -11.745 1.00 0.00 H new ATOM 0 HA ASN A 84 0.542 -1.649 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.742 0.311 -13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.932 -0.064 -15.215 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.622 -2.645 -13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.308 -1.027 -12.983 1.00 0.00 H new ATOM 1302 N SER A 85 1.000 1.631 -13.653 1.00 0.00 N ATOM 1303 CA SER A 85 1.918 2.683 -14.074 1.00 0.00 C ATOM 1304 C SER A 85 1.705 3.950 -13.252 1.00 0.00 C ATOM 1305 O SER A 85 0.866 3.986 -12.352 1.00 0.00 O ATOM 1306 CB SER A 85 1.729 2.989 -15.561 1.00 0.00 C ATOM 1307 OG SER A 85 0.566 3.769 -15.778 1.00 0.00 O ATOM 0 H SER A 85 0.200 1.961 -13.113 1.00 0.00 H new ATOM 0 HA SER A 85 2.936 2.330 -13.909 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.602 3.520 -15.940 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.655 2.057 -16.121 1.00 0.00 H new ATOM 0 HG SER A 85 0.469 3.952 -16.736 1.00 0.00 H new ATOM 1313 N SER A 86 2.471 4.989 -13.569 1.00 0.00 N ATOM 1314 CA SER A 86 2.370 6.258 -12.858 1.00 0.00 C ATOM 1315 C SER A 86 0.916 6.704 -12.745 1.00 0.00 C ATOM 1316 O SER A 86 0.435 7.024 -11.658 1.00 0.00 O ATOM 1317 CB SER A 86 3.191 7.334 -13.572 1.00 0.00 C ATOM 1318 OG SER A 86 2.880 7.379 -14.953 1.00 0.00 O ATOM 0 H SER A 86 3.168 4.977 -14.313 1.00 0.00 H new ATOM 0 HA SER A 86 2.767 6.115 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.994 8.306 -13.120 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.254 7.131 -13.442 1.00 0.00 H new ATOM 0 HG SER A 86 3.416 8.075 -15.387 1.00 0.00 H new ATOM 1324 N ASP A 87 0.220 6.723 -13.877 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.180 7.128 -13.907 1.00 0.00 C ATOM 1326 C ASP A 87 -1.954 6.499 -12.753 1.00 0.00 C ATOM 1327 O ASP A 87 -2.688 7.181 -12.038 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.819 6.734 -15.240 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.957 7.656 -15.632 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -2.684 8.832 -15.952 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -4.120 7.202 -15.618 1.00 0.00 O ATOM 0 H ASP A 87 0.603 6.463 -14.786 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.220 8.212 -13.799 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.059 6.747 -16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.190 5.711 -15.173 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.784 5.192 -12.577 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.466 4.470 -11.509 1.00 0.00 C ATOM 1338 C HIS A 88 -2.250 5.157 -10.164 1.00 0.00 C ATOM 1339 O HIS A 88 -3.193 5.347 -9.395 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.968 3.025 -11.443 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.930 2.090 -10.777 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.069 0.768 -11.141 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.804 2.293 -9.763 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.986 0.197 -10.381 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.448 1.102 -9.536 1.00 0.00 N ATOM 0 H HIS A 88 -1.180 4.612 -13.160 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.534 4.469 -11.729 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.771 2.671 -12.455 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.020 3.000 -10.906 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.965 3.219 -9.232 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.304 -0.833 -10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.166 0.942 -8.830 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.004 5.526 -9.887 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.666 6.191 -8.635 1.00 0.00 C ATOM 1355 C ILE A 89 -1.341 7.555 -8.538 1.00 0.00 C ATOM 1356 O ILE A 89 -2.074 7.829 -7.588 1.00 0.00 O ATOM 1357 CB ILE A 89 0.856 6.373 -8.487 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.537 5.016 -8.296 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.169 7.297 -7.320 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.770 4.269 -9.591 1.00 0.00 C ATOM 0 H ILE A 89 -0.212 5.376 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.027 5.551 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 89 1.243 6.828 -9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.494 5.166 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.925 4.401 -7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.249 7.415 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.711 8.271 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.772 6.868 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.256 3.317 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.815 4.087 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.408 4.864 -10.245 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.089 8.406 -9.528 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.674 9.742 -9.554 1.00 0.00 C ATOM 1374 C GLU A 90 -3.166 9.689 -9.238 1.00 0.00 C ATOM 1375 O GLU A 90 -3.691 10.544 -8.525 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.453 10.392 -10.921 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.006 10.766 -11.191 1.00 0.00 C ATOM 1378 CD GLU A 90 0.133 11.825 -12.267 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.462 11.650 -13.351 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.835 12.829 -12.025 1.00 0.00 O ATOM 0 H GLU A 90 -0.484 8.194 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.180 10.343 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.794 9.708 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.070 11.288 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.450 11.128 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.546 9.875 -11.490 1.00 0.00 H new ATOM 1387 N SER A 91 -3.843 8.678 -9.775 1.00 0.00 N ATOM 1388 CA SER A 91 -5.275 8.515 -9.555 1.00 0.00 C ATOM 1389 C SER A 91 -5.579 8.326 -8.071 1.00 0.00 C ATOM 1390 O SER A 91 -6.366 9.069 -7.486 1.00 0.00 O ATOM 1391 CB SER A 91 -5.802 7.320 -10.351 1.00 0.00 C ATOM 1392 OG SER A 91 -7.170 7.490 -10.681 1.00 0.00 O ATOM 0 H SER A 91 -3.422 7.960 -10.365 1.00 0.00 H new ATOM 0 HA SER A 91 -5.775 9.420 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.217 7.200 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.676 6.407 -9.769 1.00 0.00 H new ATOM 0 HG SER A 91 -7.482 6.714 -11.191 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.947 7.324 -7.468 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.147 7.035 -6.053 1.00 0.00 C ATOM 1400 C LYS A 92 -4.841 8.261 -5.199 1.00 0.00 C ATOM 1401 O LYS A 92 -5.437 8.456 -4.140 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.260 5.864 -5.621 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.436 4.620 -6.474 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.796 3.980 -6.253 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.805 2.524 -6.692 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.174 1.940 -6.651 1.00 0.00 N ATOM 0 H LYS A 92 -4.292 6.699 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.193 6.764 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.216 6.176 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.480 5.616 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.322 4.880 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.652 3.901 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.063 4.045 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.554 4.533 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.408 2.448 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.144 1.946 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.137 0.947 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.544 1.989 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.799 2.475 -7.287 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.910 9.086 -5.667 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.543 10.283 -4.934 1.00 0.00 C ATOM 1422 C GLY A 93 -2.314 10.080 -4.070 1.00 0.00 C ATOM 1423 O GLY A 93 -1.928 10.969 -3.310 1.00 0.00 O ATOM 0 H GLY A 93 -3.403 8.947 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.358 11.094 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.379 10.591 -4.305 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.699 8.908 -4.185 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.508 8.591 -3.407 1.00 0.00 C ATOM 1429 C ILE A 94 0.696 9.391 -3.895 1.00 0.00 C ATOM 1430 O ILE A 94 0.960 9.466 -5.096 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.174 7.089 -3.474 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.422 6.254 -3.185 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.937 6.749 -2.492 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.356 4.853 -3.752 1.00 0.00 C ATOM 0 H ILE A 94 -2.006 8.162 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.726 8.860 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 94 0.173 6.853 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.568 6.194 -2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.293 6.763 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.162 5.684 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.830 7.323 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.616 6.996 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.274 4.318 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.242 4.904 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.505 4.326 -3.321 1.00 0.00 H new ATOM 1446 N LYS A 95 1.425 9.985 -2.957 1.00 0.00 N ATOM 1447 CA LYS A 95 2.603 10.777 -3.290 1.00 0.00 C ATOM 1448 C LYS A 95 3.521 10.921 -2.080 1.00 0.00 C ATOM 1449 O LYS A 95 3.203 10.447 -0.988 1.00 0.00 O ATOM 1450 CB LYS A 95 2.187 12.160 -3.795 1.00 0.00 C ATOM 1451 CG LYS A 95 1.047 12.779 -3.006 1.00 0.00 C ATOM 1452 CD LYS A 95 1.499 13.220 -1.624 1.00 0.00 C ATOM 1453 CE LYS A 95 0.382 13.924 -0.870 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.753 14.193 0.547 1.00 0.00 N ATOM 0 H LYS A 95 1.221 9.933 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 95 3.148 10.258 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.049 12.826 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.893 12.082 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.650 13.636 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.235 12.058 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.833 12.352 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.355 13.889 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.144 14.864 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.519 13.311 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.035 14.674 1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.955 13.294 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.598 14.799 0.576 1.00 0.00 H new ATOM 1468 N ILE A 96 4.658 11.578 -2.281 1.00 0.00 N ATOM 1469 CA ILE A 96 5.620 11.786 -1.205 1.00 0.00 C ATOM 1470 C ILE A 96 4.989 12.545 -0.043 1.00 0.00 C ATOM 1471 O ILE A 96 4.184 13.454 -0.244 1.00 0.00 O ATOM 1472 CB ILE A 96 6.857 12.560 -1.698 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.502 11.834 -2.881 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.859 12.733 -0.566 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.219 10.561 -2.490 1.00 0.00 C ATOM 0 H ILE A 96 4.936 11.975 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 96 5.931 10.798 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 96 6.540 13.548 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.732 11.597 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.210 12.506 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.728 13.282 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.395 13.288 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.173 11.754 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.652 10.100 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.012 10.794 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.511 9.871 -2.031 1.00 0.00 H new ATOM 1487 N LYS A 97 5.362 12.167 1.175 1.00 0.00 N ATOM 1488 CA LYS A 97 4.836 12.813 2.372 1.00 0.00 C ATOM 1489 C LYS A 97 3.372 12.445 2.589 1.00 0.00 C ATOM 1490 O LYS A 97 2.570 13.278 3.012 1.00 0.00 O ATOM 1491 CB LYS A 97 4.981 14.332 2.261 1.00 0.00 C ATOM 1492 CG LYS A 97 6.352 14.780 1.786 1.00 0.00 C ATOM 1493 CD LYS A 97 7.375 14.730 2.908 1.00 0.00 C ATOM 1494 CE LYS A 97 8.784 14.532 2.370 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.814 14.723 3.429 1.00 0.00 N ATOM 0 H LYS A 97 6.027 11.416 1.359 1.00 0.00 H new ATOM 0 HA LYS A 97 5.411 12.461 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.226 14.711 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.779 14.780 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.680 14.142 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.289 15.796 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.331 15.655 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.128 13.917 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.875 13.530 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.964 15.235 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.761 14.580 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.744 15.688 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.658 14.035 4.193 1.00 0.00 H new ATOM 1509 N GLU A 98 3.031 11.194 2.299 1.00 0.00 N ATOM 1510 CA GLU A 98 1.662 10.718 2.464 1.00 0.00 C ATOM 1511 C GLU A 98 1.610 9.536 3.429 1.00 0.00 C ATOM 1512 O GLU A 98 2.065 8.438 3.110 1.00 0.00 O ATOM 1513 CB GLU A 98 1.073 10.312 1.112 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.437 10.467 1.034 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.069 9.526 0.027 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.741 8.322 0.053 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.892 9.995 -0.786 1.00 0.00 O ATOM 0 H GLU A 98 3.683 10.492 1.949 1.00 0.00 H new ATOM 0 HA GLU A 98 1.069 11.532 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.533 10.915 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.334 9.273 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.869 10.283 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.680 11.495 0.767 1.00 0.00 H new ATOM 1524 N THR A 99 1.051 9.771 4.613 1.00 0.00 N ATOM 1525 CA THR A 99 0.941 8.728 5.625 1.00 0.00 C ATOM 1526 C THR A 99 -0.140 7.718 5.258 1.00 0.00 C ATOM 1527 O THR A 99 -1.278 8.090 4.971 1.00 0.00 O ATOM 1528 CB THR A 99 0.624 9.322 7.011 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.539 10.381 7.311 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.705 8.253 8.089 1.00 0.00 C ATOM 0 H THR A 99 0.668 10.674 4.894 1.00 0.00 H new ATOM 0 HA THR A 99 1.906 8.224 5.666 1.00 0.00 H new ATOM 0 HB THR A 99 -0.392 9.716 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.330 10.754 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.477 8.696 9.059 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.015 7.463 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.710 7.832 8.109 1.00 0.00 H new ATOM 1538 N MET A 100 0.222 6.440 5.271 1.00 0.00 N ATOM 1539 CA MET A 100 -0.719 5.376 4.941 1.00 0.00 C ATOM 1540 C MET A 100 -1.081 4.566 6.182 1.00 0.00 C ATOM 1541 O MET A 100 -0.483 4.740 7.245 1.00 0.00 O ATOM 1542 CB MET A 100 -0.128 4.456 3.872 1.00 0.00 C ATOM 1543 CG MET A 100 0.359 5.195 2.636 1.00 0.00 C ATOM 1544 SD MET A 100 0.329 4.167 1.155 1.00 0.00 S ATOM 1545 CE MET A 100 -1.185 4.731 0.382 1.00 0.00 C ATOM 0 H MET A 100 1.160 6.116 5.506 1.00 0.00 H new ATOM 0 HA MET A 100 -1.627 5.837 4.552 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.704 3.899 4.303 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.881 3.726 3.576 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.263 6.075 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.375 5.550 2.807 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.253 4.322 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.040 4.395 0.969 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.184 5.820 0.332 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.061 3.680 6.041 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.503 2.846 7.151 1.00 0.00 C ATOM 1557 C TYR A 101 -2.962 1.478 6.655 1.00 0.00 C ATOM 1558 O TYR A 101 -3.181 1.279 5.460 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.639 3.532 7.912 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.383 4.995 8.192 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.474 5.943 7.179 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.049 5.431 9.468 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.240 7.281 7.429 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.815 6.768 9.728 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.911 7.689 8.705 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.677 9.020 8.960 1.00 0.00 O ATOM 0 H TYR A 101 -2.564 3.521 5.168 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.658 2.704 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.560 3.437 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.798 3.012 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.732 5.628 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.971 4.713 10.271 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.314 8.004 6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.558 7.090 10.726 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.459 9.138 9.908 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.105 0.537 7.583 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.537 -0.814 7.242 1.00 0.00 C ATOM 1578 C PHE A 102 -4.645 -1.283 8.180 1.00 0.00 C ATOM 1579 O PHE A 102 -4.904 -0.663 9.211 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.354 -1.782 7.307 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.530 -1.639 8.554 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.101 -1.821 9.803 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.183 -1.322 8.477 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.344 -1.689 10.952 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.579 -1.189 9.623 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.003 -1.374 10.862 1.00 0.00 C ATOM 0 H PHE A 102 -2.928 0.685 8.577 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.929 -0.798 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.727 -2.804 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.715 -1.621 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.149 -2.069 9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.277 -1.177 7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.802 -1.832 11.920 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.628 -0.941 9.550 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.590 -1.272 11.759 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.296 -2.382 7.814 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.375 -2.937 8.623 1.00 0.00 C ATOM 1598 C ALA A 103 -6.076 -4.377 9.024 1.00 0.00 C ATOM 1599 O ALA A 103 -5.733 -5.208 8.182 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.693 -2.860 7.867 1.00 0.00 C ATOM 0 H ALA A 103 -5.095 -2.906 6.962 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.456 -2.344 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.490 -3.278 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.920 -1.819 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.614 -3.428 6.940 1.00 0.00 H new