USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot -179:sc= -3.62! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 12 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-6!) USER MOD Single : A 20 ASN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.3!) USER MOD Single : A 23 MET CE :methyl -123:sc= -1.36 (180deg=-4.49!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc=-0.00228 (180deg=-0.369) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -7.4! C(o=-7.4!,f=-8.8!) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.0977 (180deg=-0.574) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.08 F(o=-1.8,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.424 USER MOD Single : A 73 SER OG : rot -34:sc= 0.0708 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.34 USER MOD Single : A 76 TYR OH : rot 165:sc= 0.243 USER MOD Single : A 77 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.9!) USER MOD Single : A 79 THR OG1 : rot -165:sc= -1.83 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 90 ASN : amide:sc= -2.34 X(o=-2.3,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.523 5.549 -1.462 1.00 0.00 N ATOM 72 CA VAL A 6 12.712 5.164 -0.079 1.00 0.00 C ATOM 73 C VAL A 6 14.003 4.363 0.085 1.00 0.00 C ATOM 74 O VAL A 6 14.375 3.586 -0.794 1.00 0.00 O ATOM 75 CB VAL A 6 11.510 4.330 0.406 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.749 2.875 0.136 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.215 4.577 1.880 1.00 0.00 C ATOM 0 HA VAL A 6 12.786 6.069 0.524 1.00 0.00 H new ATOM 0 HB VAL A 6 10.629 4.646 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.894 2.295 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.882 2.721 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.646 2.550 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.362 3.972 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.086 4.304 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.986 5.632 2.034 1.00 0.00 H new ATOM 87 N TRP A 7 14.680 4.549 1.209 1.00 0.00 N ATOM 88 CA TRP A 7 15.923 3.835 1.468 1.00 0.00 C ATOM 89 C TRP A 7 15.754 2.850 2.618 1.00 0.00 C ATOM 90 O TRP A 7 15.260 3.208 3.687 1.00 0.00 O ATOM 91 CB TRP A 7 17.046 4.826 1.775 1.00 0.00 C ATOM 92 CG TRP A 7 17.323 5.761 0.638 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.675 6.930 0.362 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.315 5.599 -0.381 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.204 7.507 -0.768 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.214 6.709 -1.242 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.280 4.625 -0.649 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.041 6.870 -2.349 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.102 4.787 -1.749 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.978 5.901 -2.587 1.00 0.00 C ATOM 0 H TRP A 7 14.392 5.185 1.953 1.00 0.00 H new ATOM 0 HA TRP A 7 16.187 3.270 0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.781 5.405 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.955 4.275 2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.865 7.342 0.946 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.896 8.385 -1.186 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.382 3.761 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.947 7.729 -2.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.853 4.041 -1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.635 5.998 -3.439 1.00 0.00 H new ATOM 111 N GLY A 8 16.164 1.606 2.390 1.00 0.00 N ATOM 112 CA GLY A 8 16.041 0.588 3.426 1.00 0.00 C ATOM 113 C GLY A 8 17.062 -0.526 3.279 1.00 0.00 C ATOM 114 O GLY A 8 17.847 -0.530 2.333 1.00 0.00 O ATOM 0 H GLY A 8 16.576 1.283 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.158 1.055 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.038 0.162 3.394 1.00 0.00 H new ATOM 118 N ALA A 9 17.054 -1.477 4.215 1.00 0.00 N ATOM 119 CA ALA A 9 17.986 -2.595 4.174 1.00 0.00 C ATOM 120 C ALA A 9 17.241 -3.919 4.134 1.00 0.00 C ATOM 121 O ALA A 9 16.278 -4.126 4.871 1.00 0.00 O ATOM 122 CB ALA A 9 18.923 -2.553 5.370 1.00 0.00 C ATOM 0 H ALA A 9 16.412 -1.492 5.008 1.00 0.00 H new ATOM 0 HA ALA A 9 18.579 -2.508 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.612 -3.396 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.488 -1.621 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.341 -2.611 6.290 1.00 0.00 H new ATOM 128 N LEU A 10 17.693 -4.817 3.269 1.00 0.00 N ATOM 129 CA LEU A 10 17.062 -6.127 3.135 1.00 0.00 C ATOM 130 C LEU A 10 17.043 -6.859 4.468 1.00 0.00 C ATOM 131 O LEU A 10 18.066 -6.973 5.144 1.00 0.00 O ATOM 132 CB LEU A 10 17.792 -6.963 2.084 1.00 0.00 C ATOM 133 CG LEU A 10 16.884 -7.770 1.155 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.282 -6.873 0.085 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.661 -8.911 0.524 1.00 0.00 C ATOM 0 H LEU A 10 18.490 -4.665 2.651 1.00 0.00 H new ATOM 0 HA LEU A 10 16.032 -5.976 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.409 -6.299 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.468 -7.650 2.593 1.00 0.00 H new ATOM 0 HG LEU A 10 16.068 -8.190 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.639 -7.465 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.694 -6.087 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.081 -6.424 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.004 -9.478 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.494 -8.509 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.044 -9.567 1.306 1.00 0.00 H new ATOM 147 N GLY A 11 15.869 -7.349 4.841 1.00 0.00 N ATOM 148 CA GLY A 11 15.730 -8.058 6.095 1.00 0.00 C ATOM 149 C GLY A 11 15.317 -7.146 7.235 1.00 0.00 C ATOM 150 O GLY A 11 15.074 -7.612 8.348 1.00 0.00 O ATOM 0 H GLY A 11 15.010 -7.268 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.990 -8.850 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.676 -8.539 6.343 1.00 0.00 H new ATOM 154 N HIS A 12 15.236 -5.842 6.965 1.00 0.00 N ATOM 155 CA HIS A 12 14.851 -4.884 7.986 1.00 0.00 C ATOM 156 C HIS A 12 13.439 -4.365 7.710 1.00 0.00 C ATOM 157 O HIS A 12 12.872 -4.622 6.643 1.00 0.00 O ATOM 158 CB HIS A 12 15.900 -3.760 8.045 1.00 0.00 C ATOM 159 CG HIS A 12 15.360 -2.371 8.111 1.00 0.00 C ATOM 160 ND1 HIS A 12 15.175 -1.683 9.291 1.00 0.00 N ATOM 161 CD2 HIS A 12 15.022 -1.523 7.122 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.745 -0.463 9.021 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.646 -0.340 7.709 1.00 0.00 N ATOM 0 H HIS A 12 15.432 -5.433 6.051 1.00 0.00 H new ATOM 0 HA HIS A 12 14.823 -5.360 8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.533 -3.925 8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.540 -3.839 7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.043 -1.734 6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.514 0.302 9.748 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.340 0.497 7.213 1.00 0.00 H new ATOM 172 N GLY A 13 12.869 -3.662 8.684 1.00 0.00 N ATOM 173 CA GLY A 13 11.515 -3.144 8.541 1.00 0.00 C ATOM 174 C GLY A 13 11.442 -1.904 7.674 1.00 0.00 C ATOM 175 O GLY A 13 12.441 -1.230 7.462 1.00 0.00 O ATOM 0 H GLY A 13 13.319 -3.440 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.880 -3.918 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.114 -2.914 9.528 1.00 0.00 H new ATOM 179 N ILE A 14 10.253 -1.599 7.169 1.00 0.00 N ATOM 180 CA ILE A 14 10.072 -0.427 6.320 1.00 0.00 C ATOM 181 C ILE A 14 8.605 -0.238 5.944 1.00 0.00 C ATOM 182 O ILE A 14 7.903 -1.202 5.636 1.00 0.00 O ATOM 183 CB ILE A 14 10.932 -0.530 5.040 1.00 0.00 C ATOM 184 CG1 ILE A 14 11.013 0.822 4.332 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.384 -1.595 4.100 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.234 1.630 4.717 1.00 0.00 C ATOM 0 H ILE A 14 9.405 -2.142 7.331 1.00 0.00 H new ATOM 0 HA ILE A 14 10.398 0.441 6.893 1.00 0.00 H new ATOM 0 HB ILE A 14 11.939 -0.824 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.019 0.660 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.117 1.399 4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.007 -1.648 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.389 -2.562 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.363 -1.339 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.228 2.577 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.219 1.823 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.135 1.072 4.461 1.00 0.00 H new ATOM 198 N ASP A 15 8.147 1.010 5.978 1.00 0.00 N ATOM 199 CA ASP A 15 6.764 1.323 5.644 1.00 0.00 C ATOM 200 C ASP A 15 6.684 2.239 4.427 1.00 0.00 C ATOM 201 O ASP A 15 7.338 3.281 4.376 1.00 0.00 O ATOM 202 CB ASP A 15 6.070 1.981 6.841 1.00 0.00 C ATOM 203 CG ASP A 15 4.627 2.345 6.549 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.394 3.153 5.624 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.729 1.825 7.245 1.00 0.00 O ATOM 0 H ASP A 15 8.713 1.819 6.233 1.00 0.00 H new ATOM 0 HA ASP A 15 6.256 0.390 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.105 1.304 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.617 2.880 7.125 1.00 0.00 H new ATOM 210 N LEU A 16 5.866 1.847 3.456 1.00 0.00 N ATOM 211 CA LEU A 16 5.678 2.634 2.241 1.00 0.00 C ATOM 212 C LEU A 16 4.585 3.676 2.474 1.00 0.00 C ATOM 213 O LEU A 16 3.403 3.338 2.546 1.00 0.00 O ATOM 214 CB LEU A 16 5.292 1.714 1.070 1.00 0.00 C ATOM 215 CG LEU A 16 6.340 1.499 -0.046 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.716 2.043 0.321 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.442 0.020 -0.388 1.00 0.00 C ATOM 0 H LEU A 16 5.320 0.986 3.487 1.00 0.00 H new ATOM 0 HA LEU A 16 6.610 3.141 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.033 0.738 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.389 2.116 0.610 1.00 0.00 H new ATOM 0 HG LEU A 16 5.996 2.060 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.409 1.863 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.646 3.114 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.078 1.541 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.183 -0.121 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.743 -0.538 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.473 -0.341 -0.733 1.00 0.00 H new ATOM 229 N ASP A 17 4.983 4.935 2.617 1.00 0.00 N ATOM 230 CA ASP A 17 4.026 6.009 2.870 1.00 0.00 C ATOM 231 C ASP A 17 3.487 6.611 1.576 1.00 0.00 C ATOM 232 O ASP A 17 4.245 7.041 0.706 1.00 0.00 O ATOM 233 CB ASP A 17 4.667 7.102 3.722 1.00 0.00 C ATOM 234 CG ASP A 17 4.733 6.726 5.190 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.891 5.915 5.634 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.624 7.242 5.897 1.00 0.00 O ATOM 0 H ASP A 17 5.956 5.237 2.563 1.00 0.00 H new ATOM 0 HA ASP A 17 3.186 5.572 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.674 7.301 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.099 8.025 3.611 1.00 0.00 H new ATOM 241 N ILE A 18 2.163 6.642 1.470 1.00 0.00 N ATOM 242 CA ILE A 18 1.483 7.192 0.305 1.00 0.00 C ATOM 243 C ILE A 18 1.408 8.718 0.379 1.00 0.00 C ATOM 244 O ILE A 18 0.829 9.270 1.314 1.00 0.00 O ATOM 245 CB ILE A 18 0.053 6.633 0.205 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.086 5.106 0.170 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.665 7.185 -1.021 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.140 4.495 -0.464 1.00 0.00 C ATOM 0 H ILE A 18 1.532 6.287 2.189 1.00 0.00 H new ATOM 0 HA ILE A 18 2.058 6.903 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.503 6.950 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.970 4.781 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.186 4.729 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.673 6.774 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.719 8.272 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.117 6.905 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.051 3.409 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.026 4.790 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.230 4.844 -1.493 1.00 0.00 H new ATOM 260 N PRO A 19 1.995 9.426 -0.603 1.00 0.00 N ATOM 261 CA PRO A 19 1.985 10.893 -0.626 1.00 0.00 C ATOM 262 C PRO A 19 0.572 11.477 -0.677 1.00 0.00 C ATOM 263 O PRO A 19 -0.252 11.076 -1.499 1.00 0.00 O ATOM 264 CB PRO A 19 2.754 11.245 -1.906 1.00 0.00 C ATOM 265 CG PRO A 19 3.551 10.026 -2.224 1.00 0.00 C ATOM 266 CD PRO A 19 2.723 8.865 -1.757 1.00 0.00 C ATOM 0 HA PRO A 19 2.427 11.306 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.073 11.495 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.399 12.110 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.752 9.958 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.516 10.047 -1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.043 8.515 -2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.343 8.016 -1.470 1.00 0.00 H new ATOM 274 N ASN A 20 0.316 12.442 0.203 1.00 0.00 N ATOM 275 CA ASN A 20 -0.980 13.122 0.276 1.00 0.00 C ATOM 276 C ASN A 20 -2.169 12.160 0.166 1.00 0.00 C ATOM 277 O ASN A 20 -2.941 12.223 -0.791 1.00 0.00 O ATOM 278 CB ASN A 20 -1.074 14.183 -0.824 1.00 0.00 C ATOM 279 CG ASN A 20 -0.485 15.512 -0.396 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.480 15.997 -0.988 1.00 0.00 O ATOM 281 ND2 ASN A 20 -1.063 16.111 0.638 1.00 0.00 N ATOM 0 H ASN A 20 0.997 12.776 0.885 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.036 13.589 1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.554 13.828 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.119 14.324 -1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.709 17.008 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.861 15.674 1.100 1.00 0.00 H new ATOM 288 N PHE A 21 -2.324 11.281 1.156 1.00 0.00 N ATOM 289 CA PHE A 21 -3.424 10.332 1.170 1.00 0.00 C ATOM 290 C PHE A 21 -3.941 10.131 2.594 1.00 0.00 C ATOM 291 O PHE A 21 -3.195 10.270 3.562 1.00 0.00 O ATOM 292 CB PHE A 21 -2.961 9.006 0.574 1.00 0.00 C ATOM 293 CG PHE A 21 -3.763 7.816 1.007 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.081 7.677 0.622 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.193 6.845 1.805 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.822 6.582 1.029 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.924 5.748 2.217 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.243 5.617 1.828 1.00 0.00 C ATOM 0 H PHE A 21 -1.697 11.211 1.958 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.243 10.726 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.999 9.078 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.918 8.844 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.538 8.430 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.162 6.944 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.853 6.482 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.466 4.995 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.820 4.762 2.148 1.00 0.00 H new ATOM 308 N GLN A 22 -5.225 9.805 2.711 1.00 0.00 N ATOM 309 CA GLN A 22 -5.841 9.586 4.015 1.00 0.00 C ATOM 310 C GLN A 22 -6.839 8.433 3.958 1.00 0.00 C ATOM 311 O GLN A 22 -7.860 8.516 3.275 1.00 0.00 O ATOM 312 CB GLN A 22 -6.542 10.860 4.491 1.00 0.00 C ATOM 313 CG GLN A 22 -5.634 11.800 5.265 1.00 0.00 C ATOM 314 CD GLN A 22 -6.372 12.563 6.348 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.426 12.133 6.818 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.821 13.702 6.750 1.00 0.00 N ATOM 0 H GLN A 22 -5.858 9.687 1.920 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.054 9.327 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.945 11.388 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.389 10.586 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.824 11.227 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.176 12.508 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.946 14.021 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.272 14.259 7.476 1.00 0.00 H new ATOM 325 N MET A 23 -6.536 7.359 4.681 1.00 0.00 N ATOM 326 CA MET A 23 -7.407 6.191 4.713 1.00 0.00 C ATOM 327 C MET A 23 -8.588 6.417 5.653 1.00 0.00 C ATOM 328 O MET A 23 -8.560 6.004 6.811 1.00 0.00 O ATOM 329 CB MET A 23 -6.621 4.954 5.153 1.00 0.00 C ATOM 330 CG MET A 23 -7.379 3.651 4.958 1.00 0.00 C ATOM 331 SD MET A 23 -8.236 3.116 6.451 1.00 0.00 S ATOM 332 CE MET A 23 -9.921 3.584 6.061 1.00 0.00 C ATOM 0 H MET A 23 -5.695 7.274 5.252 1.00 0.00 H new ATOM 0 HA MET A 23 -7.792 6.030 3.706 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.687 4.909 4.593 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.357 5.057 6.205 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.103 3.773 4.152 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.682 2.873 4.645 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.299 4.256 6.831 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.944 4.089 5.095 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.546 2.692 6.019 1.00 0.00 H new ATOM 342 N THR A 24 -9.623 7.077 5.144 1.00 0.00 N ATOM 343 CA THR A 24 -10.814 7.360 5.936 1.00 0.00 C ATOM 344 C THR A 24 -12.042 6.691 5.328 1.00 0.00 C ATOM 345 O THR A 24 -11.933 5.931 4.364 1.00 0.00 O ATOM 346 CB THR A 24 -11.036 8.871 6.037 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.416 9.542 4.954 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.498 9.471 7.317 1.00 0.00 C ATOM 0 H THR A 24 -9.661 7.426 4.186 1.00 0.00 H new ATOM 0 HA THR A 24 -10.662 6.955 6.936 1.00 0.00 H new ATOM 0 HB THR A 24 -12.117 9.006 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.570 10.506 5.035 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.688 10.544 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.993 9.009 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.425 9.293 7.379 1.00 0.00 H new ATOM 356 N ASP A 25 -13.210 6.977 5.894 1.00 0.00 N ATOM 357 CA ASP A 25 -14.459 6.402 5.407 1.00 0.00 C ATOM 358 C ASP A 25 -14.659 6.707 3.924 1.00 0.00 C ATOM 359 O ASP A 25 -15.280 5.930 3.200 1.00 0.00 O ATOM 360 CB ASP A 25 -15.641 6.941 6.214 1.00 0.00 C ATOM 361 CG ASP A 25 -15.761 6.284 7.574 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.732 5.803 8.093 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.885 6.249 8.121 1.00 0.00 O ATOM 0 H ASP A 25 -13.318 7.604 6.691 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.405 5.321 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.529 8.018 6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.562 6.781 5.654 1.00 0.00 H new ATOM 368 N ASP A 26 -14.128 7.842 3.482 1.00 0.00 N ATOM 369 CA ASP A 26 -14.246 8.248 2.086 1.00 0.00 C ATOM 370 C ASP A 26 -13.532 7.262 1.168 1.00 0.00 C ATOM 371 O ASP A 26 -13.902 7.102 0.005 1.00 0.00 O ATOM 372 CB ASP A 26 -13.670 9.652 1.892 1.00 0.00 C ATOM 373 CG ASP A 26 -14.308 10.382 0.726 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.547 10.536 0.727 1.00 0.00 O ATOM 375 OD2 ASP A 26 -13.568 10.799 -0.189 1.00 0.00 O ATOM 0 H ASP A 26 -13.612 8.497 4.070 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.304 8.256 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.816 10.231 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.595 9.581 1.728 1.00 0.00 H new ATOM 380 N ILE A 27 -12.506 6.602 1.697 1.00 0.00 N ATOM 381 CA ILE A 27 -11.742 5.634 0.931 1.00 0.00 C ATOM 382 C ILE A 27 -12.391 4.244 1.025 1.00 0.00 C ATOM 383 O ILE A 27 -12.658 3.761 2.124 1.00 0.00 O ATOM 384 CB ILE A 27 -10.293 5.567 1.451 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.628 6.943 1.351 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.490 4.530 0.679 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.730 7.572 -0.023 1.00 0.00 C ATOM 0 H ILE A 27 -12.187 6.724 2.658 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.733 5.951 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.318 5.267 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.085 7.611 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.576 6.848 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.470 4.500 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.952 3.550 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.472 4.797 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.237 8.544 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.247 6.925 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.780 7.700 -0.288 1.00 0.00 H new ATOM 399 N ASP A 28 -12.663 3.607 -0.121 1.00 0.00 N ATOM 400 CA ASP A 28 -13.296 2.295 -0.122 1.00 0.00 C ATOM 401 C ASP A 28 -12.361 1.205 -0.639 1.00 0.00 C ATOM 402 O ASP A 28 -12.331 0.104 -0.088 1.00 0.00 O ATOM 403 CB ASP A 28 -14.568 2.328 -0.971 1.00 0.00 C ATOM 404 CG ASP A 28 -15.793 1.888 -0.193 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.816 2.087 1.040 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.728 1.343 -0.816 1.00 0.00 O ATOM 0 H ASP A 28 -12.455 3.979 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.545 2.054 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.724 3.339 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.440 1.680 -1.838 1.00 0.00 H new ATOM 411 N GLU A 29 -11.613 1.488 -1.708 1.00 0.00 N ATOM 412 CA GLU A 29 -10.719 0.478 -2.268 1.00 0.00 C ATOM 413 C GLU A 29 -9.271 0.973 -2.358 1.00 0.00 C ATOM 414 O GLU A 29 -8.976 1.933 -3.071 1.00 0.00 O ATOM 415 CB GLU A 29 -11.222 0.051 -3.652 1.00 0.00 C ATOM 416 CG GLU A 29 -10.519 -1.171 -4.219 1.00 0.00 C ATOM 417 CD GLU A 29 -11.133 -1.641 -5.523 1.00 0.00 C ATOM 418 OE1 GLU A 29 -12.379 -1.675 -5.614 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.370 -1.975 -6.453 1.00 0.00 O ATOM 0 H GLU A 29 -11.608 2.386 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.724 -0.379 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.291 -0.154 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.096 0.883 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.466 -0.939 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.559 -1.980 -3.490 1.00 0.00 H new ATOM 426 N VAL A 30 -8.368 0.292 -1.646 1.00 0.00 N ATOM 427 CA VAL A 30 -6.944 0.640 -1.661 1.00 0.00 C ATOM 428 C VAL A 30 -6.115 -0.558 -2.113 1.00 0.00 C ATOM 429 O VAL A 30 -6.084 -1.585 -1.438 1.00 0.00 O ATOM 430 CB VAL A 30 -6.432 1.104 -0.275 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.002 1.613 -0.381 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.348 2.173 0.302 1.00 0.00 C ATOM 0 H VAL A 30 -8.598 -0.504 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.832 1.469 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.440 0.250 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.657 1.935 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.358 0.814 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.966 2.455 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.973 2.487 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.375 3.031 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.354 1.768 0.414 1.00 0.00 H new ATOM 442 N ARG A 31 -5.457 -0.435 -3.264 1.00 0.00 N ATOM 443 CA ARG A 31 -4.651 -1.528 -3.797 1.00 0.00 C ATOM 444 C ARG A 31 -3.168 -1.184 -3.839 1.00 0.00 C ATOM 445 O ARG A 31 -2.779 -0.088 -4.241 1.00 0.00 O ATOM 446 CB ARG A 31 -5.134 -1.903 -5.200 1.00 0.00 C ATOM 447 CG ARG A 31 -5.446 -0.705 -6.080 1.00 0.00 C ATOM 448 CD ARG A 31 -5.720 -1.124 -7.515 1.00 0.00 C ATOM 449 NE ARG A 31 -6.641 -2.257 -7.590 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.851 -2.969 -8.693 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.209 -2.671 -9.817 1.00 0.00 N ATOM 452 NH2 ARG A 31 -7.704 -3.984 -8.676 1.00 0.00 N ATOM 0 H ARG A 31 -5.466 0.406 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.774 -2.377 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.371 -2.511 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.027 -2.521 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.312 -0.176 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.609 -0.008 -6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.138 -0.281 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.781 -1.388 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.153 -2.516 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.551 -1.892 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.374 -3.221 -10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.200 -4.219 -7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.864 -4.530 -9.523 1.00 0.00 H new ATOM 466 N TRP A 32 -2.348 -2.152 -3.442 1.00 0.00 N ATOM 467 CA TRP A 32 -0.899 -1.999 -3.449 1.00 0.00 C ATOM 468 C TRP A 32 -0.311 -2.927 -4.504 1.00 0.00 C ATOM 469 O TRP A 32 0.062 -4.063 -4.207 1.00 0.00 O ATOM 470 CB TRP A 32 -0.310 -2.334 -2.074 1.00 0.00 C ATOM 471 CG TRP A 32 -0.472 -1.248 -1.050 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.533 -1.056 -0.204 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.467 -0.209 -0.752 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.306 0.040 0.595 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.087 0.577 0.276 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.723 0.132 -1.257 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.573 1.684 0.806 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.378 1.230 -0.732 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.802 1.994 0.290 1.00 0.00 C ATOM 0 H TRP A 32 -2.669 -3.061 -3.108 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.650 -0.963 -3.681 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.783 -3.242 -1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.752 -2.552 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.418 -1.675 -0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.942 0.395 1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.175 -0.452 -2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.131 2.275 1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.350 1.503 -1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.339 2.846 0.680 1.00 0.00 H new ATOM 490 N GLU A 33 -0.263 -2.453 -5.744 1.00 0.00 N ATOM 491 CA GLU A 33 0.244 -3.264 -6.845 1.00 0.00 C ATOM 492 C GLU A 33 1.704 -2.964 -7.158 1.00 0.00 C ATOM 493 O GLU A 33 2.144 -1.816 -7.114 1.00 0.00 O ATOM 494 CB GLU A 33 -0.607 -3.048 -8.098 1.00 0.00 C ATOM 495 CG GLU A 33 -2.080 -3.358 -7.892 1.00 0.00 C ATOM 496 CD GLU A 33 -2.957 -2.777 -8.984 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.826 -1.568 -9.270 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.773 -3.530 -9.554 1.00 0.00 O ATOM 0 H GLU A 33 -0.567 -1.517 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 33 0.180 -4.306 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.504 -2.013 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.221 -3.675 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.218 -4.439 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.399 -2.964 -6.927 1.00 0.00 H new ATOM 505 N ARG A 34 2.439 -4.017 -7.494 1.00 0.00 N ATOM 506 CA ARG A 34 3.846 -3.903 -7.846 1.00 0.00 C ATOM 507 C ARG A 34 4.114 -4.689 -9.123 1.00 0.00 C ATOM 508 O ARG A 34 3.904 -5.903 -9.169 1.00 0.00 O ATOM 509 CB ARG A 34 4.728 -4.426 -6.709 1.00 0.00 C ATOM 510 CG ARG A 34 6.092 -3.758 -6.641 1.00 0.00 C ATOM 511 CD ARG A 34 7.169 -4.734 -6.199 1.00 0.00 C ATOM 512 NE ARG A 34 8.428 -4.519 -6.908 1.00 0.00 N ATOM 513 CZ ARG A 34 8.654 -4.920 -8.157 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.708 -5.557 -8.838 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.827 -4.683 -8.728 1.00 0.00 N ATOM 0 H ARG A 34 2.077 -4.970 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 34 4.087 -2.853 -8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.211 -4.276 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.864 -5.501 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.348 -3.351 -7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.053 -2.919 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.335 -4.630 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.826 -5.754 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 34 9.178 -4.033 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.803 -5.741 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.886 -5.862 -9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.557 -4.193 -8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.000 -4.990 -9.685 1.00 0.00 H new ATOM 529 N GLY A 35 4.555 -3.995 -10.167 1.00 0.00 N ATOM 530 CA GLY A 35 4.812 -4.663 -11.428 1.00 0.00 C ATOM 531 C GLY A 35 3.579 -5.367 -11.949 1.00 0.00 C ATOM 532 O GLY A 35 2.582 -4.728 -12.285 1.00 0.00 O ATOM 0 H GLY A 35 4.737 -2.991 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.153 -3.934 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.617 -5.386 -11.299 1.00 0.00 H new ATOM 536 N SER A 36 3.649 -6.685 -12.002 1.00 0.00 N ATOM 537 CA SER A 36 2.529 -7.494 -12.470 1.00 0.00 C ATOM 538 C SER A 36 2.060 -8.450 -11.376 1.00 0.00 C ATOM 539 O SER A 36 1.825 -9.631 -11.631 1.00 0.00 O ATOM 540 CB SER A 36 2.929 -8.281 -13.720 1.00 0.00 C ATOM 541 OG SER A 36 2.797 -7.489 -14.886 1.00 0.00 O ATOM 0 H SER A 36 4.471 -7.223 -11.727 1.00 0.00 H new ATOM 0 HA SER A 36 1.705 -6.826 -12.722 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.960 -8.623 -13.624 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.305 -9.170 -13.808 1.00 0.00 H new ATOM 0 HG SER A 36 3.060 -8.015 -15.670 1.00 0.00 H new ATOM 547 N THR A 37 1.934 -7.936 -10.153 1.00 0.00 N ATOM 548 CA THR A 37 1.502 -8.755 -9.023 1.00 0.00 C ATOM 549 C THR A 37 0.861 -7.902 -7.931 1.00 0.00 C ATOM 550 O THR A 37 1.092 -6.695 -7.854 1.00 0.00 O ATOM 551 CB THR A 37 2.703 -9.514 -8.450 1.00 0.00 C ATOM 552 OG1 THR A 37 3.229 -10.416 -9.407 1.00 0.00 O ATOM 553 CG2 THR A 37 2.382 -10.308 -7.200 1.00 0.00 C ATOM 0 H THR A 37 2.124 -6.961 -9.921 1.00 0.00 H new ATOM 0 HA THR A 37 0.754 -9.462 -9.381 1.00 0.00 H new ATOM 0 HB THR A 37 3.427 -8.742 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.996 -10.890 -9.023 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.280 -10.818 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.024 -9.633 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.611 -11.044 -7.425 1.00 0.00 H new ATOM 561 N LEU A 38 0.071 -8.545 -7.072 1.00 0.00 N ATOM 562 CA LEU A 38 -0.583 -7.851 -5.964 1.00 0.00 C ATOM 563 C LEU A 38 0.224 -8.043 -4.692 1.00 0.00 C ATOM 564 O LEU A 38 0.844 -9.087 -4.490 1.00 0.00 O ATOM 565 CB LEU A 38 -2.008 -8.371 -5.734 1.00 0.00 C ATOM 566 CG LEU A 38 -3.141 -7.452 -6.202 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.479 -8.008 -5.740 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.936 -6.039 -5.674 1.00 0.00 C ATOM 0 H LEU A 38 -0.131 -9.544 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.639 -6.794 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.110 -9.329 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.137 -8.560 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.135 -7.410 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.281 -7.351 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.625 -9.003 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.491 -8.069 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.750 -5.401 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.922 -6.056 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.988 -5.647 -6.042 1.00 0.00 H new ATOM 580 N VAL A 39 0.206 -7.040 -3.833 1.00 0.00 N ATOM 581 CA VAL A 39 0.929 -7.109 -2.579 1.00 0.00 C ATOM 582 C VAL A 39 -0.035 -6.987 -1.404 1.00 0.00 C ATOM 583 O VAL A 39 0.068 -7.722 -0.419 1.00 0.00 O ATOM 584 CB VAL A 39 2.001 -6.005 -2.500 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.584 -5.916 -1.100 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.099 -6.263 -3.530 1.00 0.00 C ATOM 0 H VAL A 39 -0.302 -6.168 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 39 1.428 -8.077 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 39 1.530 -5.048 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.338 -5.130 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.790 -5.685 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.042 -6.869 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.851 -5.477 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.565 -7.228 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.666 -6.269 -4.530 1.00 0.00 H new ATOM 596 N ALA A 40 -0.978 -6.060 -1.521 1.00 0.00 N ATOM 597 CA ALA A 40 -1.968 -5.843 -0.472 1.00 0.00 C ATOM 598 C ALA A 40 -3.050 -4.861 -0.911 1.00 0.00 C ATOM 599 O ALA A 40 -2.780 -3.681 -1.128 1.00 0.00 O ATOM 600 CB ALA A 40 -1.290 -5.337 0.792 1.00 0.00 C ATOM 0 H ALA A 40 -1.078 -5.447 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.448 -6.800 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.039 -5.179 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.563 -6.073 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.782 -4.396 0.581 1.00 0.00 H new ATOM 606 N GLU A 41 -4.279 -5.350 -1.031 1.00 0.00 N ATOM 607 CA GLU A 41 -5.394 -4.508 -1.434 1.00 0.00 C ATOM 608 C GLU A 41 -6.531 -4.578 -0.413 1.00 0.00 C ATOM 609 O GLU A 41 -6.650 -5.544 0.340 1.00 0.00 O ATOM 610 CB GLU A 41 -5.891 -4.917 -2.825 1.00 0.00 C ATOM 611 CG GLU A 41 -7.089 -5.850 -2.799 1.00 0.00 C ATOM 612 CD GLU A 41 -7.155 -6.756 -4.012 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.992 -6.248 -5.142 1.00 0.00 O ATOM 614 OE2 GLU A 41 -7.372 -7.974 -3.835 1.00 0.00 O ATOM 0 H GLU A 41 -4.526 -6.324 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.046 -3.476 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.154 -4.019 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.077 -5.402 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.048 -6.461 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.003 -5.259 -2.743 1.00 0.00 H new ATOM 621 N PHE A 42 -7.356 -3.541 -0.399 1.00 0.00 N ATOM 622 CA PHE A 42 -8.482 -3.453 0.511 1.00 0.00 C ATOM 623 C PHE A 42 -9.773 -3.160 -0.249 1.00 0.00 C ATOM 624 O PHE A 42 -9.777 -2.392 -1.211 1.00 0.00 O ATOM 625 CB PHE A 42 -8.219 -2.351 1.529 1.00 0.00 C ATOM 626 CG PHE A 42 -9.357 -2.125 2.481 1.00 0.00 C ATOM 627 CD1 PHE A 42 -10.417 -1.309 2.118 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.373 -2.724 3.730 1.00 0.00 C ATOM 629 CE1 PHE A 42 -11.471 -1.094 2.982 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.426 -2.512 4.600 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.476 -1.696 4.226 1.00 0.00 C ATOM 0 H PHE A 42 -7.261 -2.738 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.597 -4.409 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.324 -2.601 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.010 -1.422 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.418 -0.836 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.555 -3.363 4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.291 -0.456 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.428 -2.984 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.299 -1.529 4.905 1.00 0.00 H new ATOM 748 N PRO A 48 -9.947 -8.219 1.663 1.00 0.00 N ATOM 749 CA PRO A 48 -8.627 -7.770 1.210 1.00 0.00 C ATOM 750 C PRO A 48 -7.732 -8.929 0.781 1.00 0.00 C ATOM 751 O PRO A 48 -7.909 -10.062 1.228 1.00 0.00 O ATOM 752 CB PRO A 48 -8.047 -7.072 2.441 1.00 0.00 C ATOM 753 CG PRO A 48 -8.728 -7.716 3.598 1.00 0.00 C ATOM 754 CD PRO A 48 -10.110 -8.076 3.123 1.00 0.00 C ATOM 0 HA PRO A 48 -8.696 -7.128 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -6.966 -7.201 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.240 -5.999 2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.185 -8.603 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.773 -7.038 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.463 -9.001 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.834 -7.301 3.372 1.00 0.00 H new ATOM 762 N PHE A 49 -6.771 -8.633 -0.088 1.00 0.00 N ATOM 763 CA PHE A 49 -5.843 -9.648 -0.581 1.00 0.00 C ATOM 764 C PHE A 49 -4.431 -9.403 -0.060 1.00 0.00 C ATOM 765 O PHE A 49 -3.722 -8.527 -0.554 1.00 0.00 O ATOM 766 CB PHE A 49 -5.829 -9.669 -2.116 1.00 0.00 C ATOM 767 CG PHE A 49 -4.706 -10.485 -2.696 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.857 -11.846 -2.904 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.496 -9.890 -3.027 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.824 -12.600 -3.431 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.464 -10.638 -3.555 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.627 -11.995 -3.757 1.00 0.00 C ATOM 0 H PHE A 49 -6.613 -7.699 -0.466 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.187 -10.614 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.779 -10.066 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.752 -8.646 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.792 -12.324 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.361 -8.830 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.954 -13.661 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.528 -10.163 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.819 -12.581 -4.169 1.00 0.00 H new ATOM 782 N LEU A 50 -4.023 -10.190 0.928 1.00 0.00 N ATOM 783 CA LEU A 50 -2.692 -10.067 1.500 1.00 0.00 C ATOM 784 C LEU A 50 -1.734 -11.052 0.830 1.00 0.00 C ATOM 785 O LEU A 50 -1.878 -12.265 0.980 1.00 0.00 O ATOM 786 CB LEU A 50 -2.745 -10.330 3.008 1.00 0.00 C ATOM 787 CG LEU A 50 -2.849 -9.081 3.884 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.809 -9.456 5.358 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.732 -8.106 3.551 1.00 0.00 C ATOM 0 H LEU A 50 -4.597 -10.921 1.349 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.328 -9.054 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.599 -10.974 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.851 -10.883 3.296 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.804 -8.596 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.884 -8.554 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.643 -10.119 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.871 -9.965 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.820 -7.222 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.768 -8.583 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.806 -7.812 2.504 1.00 0.00 H new ATOM 801 N LYS A 51 -0.761 -10.528 0.085 1.00 0.00 N ATOM 802 CA LYS A 51 0.208 -11.374 -0.609 1.00 0.00 C ATOM 803 C LYS A 51 0.780 -12.440 0.324 1.00 0.00 C ATOM 804 O LYS A 51 0.859 -13.614 -0.037 1.00 0.00 O ATOM 805 CB LYS A 51 1.340 -10.521 -1.186 1.00 0.00 C ATOM 806 CG LYS A 51 2.409 -11.330 -1.903 1.00 0.00 C ATOM 807 CD LYS A 51 3.103 -10.506 -2.976 1.00 0.00 C ATOM 808 CE LYS A 51 4.579 -10.854 -3.077 1.00 0.00 C ATOM 809 NZ LYS A 51 4.801 -12.325 -3.127 1.00 0.00 N ATOM 0 H LYS A 51 -0.624 -9.527 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.311 -11.878 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.918 -9.795 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.805 -9.956 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.145 -11.684 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.957 -12.213 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.621 -10.679 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.993 -9.445 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.000 -10.393 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.110 -10.436 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.734 -12.521 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.762 -12.715 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.062 -12.768 -3.710 1.00 0.00 H new ATOM 823 N SER A 52 1.175 -12.027 1.524 1.00 0.00 N ATOM 824 CA SER A 52 1.735 -12.952 2.503 1.00 0.00 C ATOM 825 C SER A 52 1.957 -12.265 3.847 1.00 0.00 C ATOM 826 O SER A 52 1.908 -11.039 3.946 1.00 0.00 O ATOM 827 CB SER A 52 3.052 -13.538 1.989 1.00 0.00 C ATOM 828 OG SER A 52 3.118 -14.933 2.232 1.00 0.00 O ATOM 0 H SER A 52 1.118 -11.059 1.842 1.00 0.00 H new ATOM 0 HA SER A 52 1.018 -13.760 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.146 -13.347 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.890 -13.040 2.477 1.00 0.00 H new ATOM 0 HG SER A 52 3.968 -15.284 1.893 1.00 0.00 H new ATOM 834 N GLY A 53 2.189 -13.069 4.880 1.00 0.00 N ATOM 835 CA GLY A 53 2.404 -12.523 6.219 1.00 0.00 C ATOM 836 C GLY A 53 3.533 -11.499 6.281 1.00 0.00 C ATOM 837 O GLY A 53 3.686 -10.814 7.293 1.00 0.00 O ATOM 0 H GLY A 53 2.233 -14.086 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.482 -12.057 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.626 -13.340 6.905 1.00 0.00 H new ATOM 841 N ALA A 54 4.336 -11.387 5.213 1.00 0.00 N ATOM 842 CA ALA A 54 5.444 -10.437 5.199 1.00 0.00 C ATOM 843 C ALA A 54 4.966 -8.993 5.047 1.00 0.00 C ATOM 844 O ALA A 54 5.775 -8.065 5.024 1.00 0.00 O ATOM 845 CB ALA A 54 6.423 -10.787 4.088 1.00 0.00 C ATOM 0 H ALA A 54 4.237 -11.938 4.360 1.00 0.00 H new ATOM 0 HA ALA A 54 5.948 -10.512 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.245 -10.071 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.816 -11.790 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.911 -10.751 3.127 1.00 0.00 H new ATOM 851 N PHE A 55 3.655 -8.806 4.950 1.00 0.00 N ATOM 852 CA PHE A 55 3.085 -7.470 4.806 1.00 0.00 C ATOM 853 C PHE A 55 1.919 -7.266 5.764 1.00 0.00 C ATOM 854 O PHE A 55 1.295 -8.225 6.219 1.00 0.00 O ATOM 855 CB PHE A 55 2.605 -7.240 3.374 1.00 0.00 C ATOM 856 CG PHE A 55 3.667 -7.446 2.335 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.664 -6.505 2.156 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.664 -8.575 1.534 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.641 -6.682 1.198 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.638 -8.760 0.571 1.00 0.00 C ATOM 861 CZ PHE A 55 5.628 -7.812 0.402 1.00 0.00 C ATOM 0 H PHE A 55 2.968 -9.559 4.968 1.00 0.00 H new ATOM 0 HA PHE A 55 3.870 -6.752 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.773 -7.914 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.220 -6.224 3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.678 -5.620 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.892 -9.319 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.414 -5.939 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.625 -9.645 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.390 -7.953 -0.350 1.00 0.00 H new ATOM 871 N GLU A 56 1.625 -6.005 6.056 1.00 0.00 N ATOM 872 CA GLU A 56 0.528 -5.659 6.948 1.00 0.00 C ATOM 873 C GLU A 56 -0.029 -4.283 6.598 1.00 0.00 C ATOM 874 O GLU A 56 0.708 -3.296 6.558 1.00 0.00 O ATOM 875 CB GLU A 56 0.996 -5.682 8.404 1.00 0.00 C ATOM 876 CG GLU A 56 0.869 -7.047 9.062 1.00 0.00 C ATOM 877 CD GLU A 56 1.251 -7.024 10.529 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.388 -6.679 11.362 1.00 0.00 O ATOM 879 OE2 GLU A 56 2.415 -7.351 10.844 1.00 0.00 O ATOM 0 H GLU A 56 2.134 -5.203 5.686 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.263 -6.399 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.037 -5.362 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.416 -4.957 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.157 -7.400 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.504 -7.760 8.536 1.00 0.00 H new ATOM 886 N ILE A 57 -1.331 -4.227 6.340 1.00 0.00 N ATOM 887 CA ILE A 57 -1.984 -2.971 5.987 1.00 0.00 C ATOM 888 C ILE A 57 -2.375 -2.182 7.236 1.00 0.00 C ATOM 889 O ILE A 57 -3.346 -2.509 7.917 1.00 0.00 O ATOM 890 CB ILE A 57 -3.232 -3.205 5.105 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.756 -1.874 4.563 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.325 -3.936 5.878 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.359 -1.981 3.179 1.00 0.00 C ATOM 0 H ILE A 57 -1.954 -5.034 6.368 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.262 -2.389 5.414 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.939 -3.835 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.507 -1.482 5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.939 -1.153 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.190 -4.086 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.950 -4.903 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.618 -3.342 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.710 -1.000 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.605 -2.343 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.198 -2.677 3.200 1.00 0.00 H new ATOM 905 N LEU A 58 -1.603 -1.141 7.534 1.00 0.00 N ATOM 906 CA LEU A 58 -1.862 -0.306 8.700 1.00 0.00 C ATOM 907 C LEU A 58 -3.217 0.388 8.586 1.00 0.00 C ATOM 908 O LEU A 58 -3.875 0.319 7.548 1.00 0.00 O ATOM 909 CB LEU A 58 -0.749 0.733 8.863 1.00 0.00 C ATOM 910 CG LEU A 58 0.213 0.479 10.026 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.698 -0.964 10.020 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.393 1.437 9.956 1.00 0.00 C ATOM 0 H LEU A 58 -0.793 -0.856 6.983 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.881 -0.948 9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.173 0.774 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.206 1.713 8.998 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.323 0.654 10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.380 -1.122 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.155 -1.635 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.217 -1.170 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.068 1.244 10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.925 1.290 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.032 2.464 10.012 1.00 0.00 H new ATOM 924 N ALA A 59 -3.625 1.055 9.660 1.00 0.00 N ATOM 925 CA ALA A 59 -4.901 1.762 9.682 1.00 0.00 C ATOM 926 C ALA A 59 -4.855 3.007 8.804 1.00 0.00 C ATOM 927 O ALA A 59 -5.780 3.271 8.035 1.00 0.00 O ATOM 928 CB ALA A 59 -5.272 2.133 11.109 1.00 0.00 C ATOM 0 H ALA A 59 -3.091 1.121 10.527 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.665 1.096 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.226 2.660 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.356 1.228 11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.500 2.778 11.530 1.00 0.00 H new ATOM 934 N ASN A 60 -3.774 3.773 8.925 1.00 0.00 N ATOM 935 CA ASN A 60 -3.610 4.993 8.142 1.00 0.00 C ATOM 936 C ASN A 60 -3.684 4.700 6.645 1.00 0.00 C ATOM 937 O ASN A 60 -3.981 5.587 5.844 1.00 0.00 O ATOM 938 CB ASN A 60 -2.280 5.670 8.479 1.00 0.00 C ATOM 939 CG ASN A 60 -1.101 4.722 8.380 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.465 4.611 7.332 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.799 4.035 9.476 1.00 0.00 N ATOM 0 H ASN A 60 -3.000 3.570 9.557 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.426 5.668 8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.123 6.511 7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.330 6.078 9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.013 3.385 9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.353 4.158 10.324 1.00 0.00 H new ATOM 948 N GLY A 61 -3.416 3.451 6.271 1.00 0.00 N ATOM 949 CA GLY A 61 -3.463 3.070 4.872 1.00 0.00 C ATOM 950 C GLY A 61 -2.086 2.968 4.249 1.00 0.00 C ATOM 951 O GLY A 61 -1.903 3.291 3.074 1.00 0.00 O ATOM 0 H GLY A 61 -3.168 2.698 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.972 2.111 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.054 3.801 4.320 1.00 0.00 H new ATOM 955 N ASP A 62 -1.112 2.520 5.035 1.00 0.00 N ATOM 956 CA ASP A 62 0.257 2.379 4.550 1.00 0.00 C ATOM 957 C ASP A 62 0.687 0.914 4.545 1.00 0.00 C ATOM 958 O ASP A 62 0.151 0.097 5.294 1.00 0.00 O ATOM 959 CB ASP A 62 1.210 3.207 5.416 1.00 0.00 C ATOM 960 CG ASP A 62 1.221 4.670 5.017 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.093 4.956 3.808 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.357 5.530 5.912 1.00 0.00 O ATOM 0 H ASP A 62 -1.245 2.249 6.009 1.00 0.00 H new ATOM 0 HA ASP A 62 0.296 2.748 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.916 3.120 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.218 2.802 5.333 1.00 0.00 H new ATOM 967 N LEU A 63 1.655 0.590 3.694 1.00 0.00 N ATOM 968 CA LEU A 63 2.159 -0.785 3.588 1.00 0.00 C ATOM 969 C LEU A 63 3.246 -1.046 4.629 1.00 0.00 C ATOM 970 O LEU A 63 4.256 -0.345 4.669 1.00 0.00 O ATOM 971 CB LEU A 63 2.724 -1.023 2.188 1.00 0.00 C ATOM 972 CG LEU A 63 3.006 -2.482 1.834 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.726 -3.191 1.427 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.037 -2.559 0.719 1.00 0.00 C ATOM 0 H LEU A 63 2.108 1.255 3.067 1.00 0.00 H new ATOM 0 HA LEU A 63 1.331 -1.470 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.023 -0.619 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.650 -0.457 2.087 1.00 0.00 H new ATOM 0 HG LEU A 63 3.406 -2.983 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.948 -4.229 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.014 -3.160 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.295 -2.694 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.231 -3.603 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.658 -2.044 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.963 -2.085 1.046 1.00 0.00 H new ATOM 986 N LYS A 64 3.036 -2.057 5.471 1.00 0.00 N ATOM 987 CA LYS A 64 4.007 -2.398 6.503 1.00 0.00 C ATOM 988 C LYS A 64 4.785 -3.657 6.130 1.00 0.00 C ATOM 989 O LYS A 64 4.245 -4.763 6.162 1.00 0.00 O ATOM 990 CB LYS A 64 3.304 -2.599 7.847 1.00 0.00 C ATOM 991 CG LYS A 64 4.255 -2.917 8.989 1.00 0.00 C ATOM 992 CD LYS A 64 4.612 -1.669 9.779 1.00 0.00 C ATOM 993 CE LYS A 64 5.835 -0.975 9.201 1.00 0.00 C ATOM 994 NZ LYS A 64 7.062 -1.809 9.331 1.00 0.00 N ATOM 0 H LYS A 64 2.206 -2.650 5.457 1.00 0.00 H new ATOM 0 HA LYS A 64 4.712 -1.571 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.743 -1.697 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.580 -3.409 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.797 -3.650 9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.163 -3.370 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.767 -0.981 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.802 -1.937 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.660 -0.748 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.987 -0.024 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.900 -1.193 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.015 -2.360 10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.129 -2.457 8.520 1.00 0.00 H new ATOM 1008 N ILE A 65 6.058 -3.480 5.782 1.00 0.00 N ATOM 1009 CA ILE A 65 6.913 -4.603 5.411 1.00 0.00 C ATOM 1010 C ILE A 65 7.608 -5.175 6.645 1.00 0.00 C ATOM 1011 O ILE A 65 8.151 -4.430 7.462 1.00 0.00 O ATOM 1012 CB ILE A 65 7.977 -4.187 4.372 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.376 -3.207 3.352 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.543 -5.418 3.676 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.309 -2.866 2.207 1.00 0.00 C ATOM 0 H ILE A 65 6.519 -2.571 5.750 1.00 0.00 H new ATOM 0 HA ILE A 65 6.273 -5.364 4.965 1.00 0.00 H new ATOM 0 HB ILE A 65 8.793 -3.680 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.460 -3.636 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.097 -2.288 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.292 -5.111 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.004 -6.074 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.739 -5.951 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.814 -2.170 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.216 -2.407 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.569 -3.776 1.666 1.00 0.00 H new ATOM 1027 N LYS A 66 7.576 -6.498 6.788 1.00 0.00 N ATOM 1028 CA LYS A 66 8.191 -7.158 7.939 1.00 0.00 C ATOM 1029 C LYS A 66 9.695 -7.324 7.758 1.00 0.00 C ATOM 1030 O LYS A 66 10.477 -7.044 8.667 1.00 0.00 O ATOM 1031 CB LYS A 66 7.540 -8.523 8.178 1.00 0.00 C ATOM 1032 CG LYS A 66 8.124 -9.280 9.359 1.00 0.00 C ATOM 1033 CD LYS A 66 9.217 -10.241 8.920 1.00 0.00 C ATOM 1034 CE LYS A 66 9.402 -11.369 9.921 1.00 0.00 C ATOM 1035 NZ LYS A 66 9.637 -10.858 11.299 1.00 0.00 N ATOM 0 H LYS A 66 7.133 -7.133 6.124 1.00 0.00 H new ATOM 0 HA LYS A 66 8.027 -6.521 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.471 -8.383 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.649 -9.130 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.530 -8.572 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.333 -9.834 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.967 -10.657 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.155 -9.698 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.518 -12.006 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.244 -11.990 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.925 -11.644 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.389 -10.140 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.762 -10.433 11.666 1.00 0.00 H new ATOM 1049 N ASN A 67 10.085 -7.783 6.585 1.00 0.00 N ATOM 1050 CA ASN A 67 11.489 -7.998 6.267 1.00 0.00 C ATOM 1051 C ASN A 67 11.743 -7.733 4.790 1.00 0.00 C ATOM 1052 O ASN A 67 11.256 -8.462 3.926 1.00 0.00 O ATOM 1053 CB ASN A 67 11.906 -9.426 6.627 1.00 0.00 C ATOM 1054 CG ASN A 67 12.927 -9.466 7.748 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.946 -10.303 7.590 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 12.802 -8.752 8.743 1.00 0.00 N flip ATOM 0 H ASN A 67 9.444 -8.017 5.827 1.00 0.00 H new ATOM 0 HA ASN A 67 12.087 -7.302 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.025 -9.995 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.320 -9.914 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.003 -8.123 8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.498 -8.789 9.488 1.00 0.00 H new ATOM 1063 N LEU A 68 12.496 -6.679 4.505 1.00 0.00 N ATOM 1064 CA LEU A 68 12.802 -6.308 3.134 1.00 0.00 C ATOM 1065 C LEU A 68 13.412 -7.467 2.359 1.00 0.00 C ATOM 1066 O LEU A 68 14.089 -8.326 2.925 1.00 0.00 O ATOM 1067 CB LEU A 68 13.741 -5.109 3.124 1.00 0.00 C ATOM 1068 CG LEU A 68 13.057 -3.781 3.422 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.979 -2.867 4.213 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.605 -3.112 2.135 1.00 0.00 C ATOM 0 H LEU A 68 12.906 -6.065 5.209 1.00 0.00 H new ATOM 0 HA LEU A 68 11.868 -6.042 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.529 -5.272 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.223 -5.046 2.148 1.00 0.00 H new ATOM 0 HG LEU A 68 12.174 -3.979 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.471 -1.924 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.244 -3.345 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.884 -2.675 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.119 -2.165 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.470 -2.928 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.902 -3.762 1.614 1.00 0.00 H new ATOM 1082 N THR A 69 13.157 -7.481 1.058 1.00 0.00 N ATOM 1083 CA THR A 69 13.669 -8.533 0.187 1.00 0.00 C ATOM 1084 C THR A 69 13.872 -8.020 -1.235 1.00 0.00 C ATOM 1085 O THR A 69 13.271 -7.024 -1.640 1.00 0.00 O ATOM 1086 CB THR A 69 12.716 -9.728 0.183 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.368 -9.294 0.130 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.867 -10.614 1.398 1.00 0.00 C ATOM 0 H THR A 69 12.597 -6.775 0.580 1.00 0.00 H new ATOM 0 HA THR A 69 14.637 -8.850 0.575 1.00 0.00 H new ATOM 0 HB THR A 69 12.978 -10.306 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.943 -9.644 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.162 -11.443 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.884 -11.004 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.664 -10.034 2.298 1.00 0.00 H new ATOM 1096 N ARG A 70 14.725 -8.708 -1.990 1.00 0.00 N ATOM 1097 CA ARG A 70 15.016 -8.324 -3.373 1.00 0.00 C ATOM 1098 C ARG A 70 13.732 -8.121 -4.170 1.00 0.00 C ATOM 1099 O ARG A 70 13.503 -7.050 -4.732 1.00 0.00 O ATOM 1100 CB ARG A 70 15.884 -9.390 -4.046 1.00 0.00 C ATOM 1101 CG ARG A 70 17.376 -9.155 -3.879 1.00 0.00 C ATOM 1102 CD ARG A 70 17.789 -7.794 -4.414 1.00 0.00 C ATOM 1103 NE ARG A 70 19.107 -7.830 -5.044 1.00 0.00 N ATOM 1104 CZ ARG A 70 19.592 -6.851 -5.804 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.873 -5.758 -6.031 1.00 0.00 N ATOM 1106 NH2 ARG A 70 20.800 -6.964 -6.338 1.00 0.00 N ATOM 0 H ARG A 70 15.228 -9.535 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 70 15.558 -7.379 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.630 -10.367 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.647 -9.422 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.641 -9.228 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.929 -9.936 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.050 -7.450 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 70 17.797 -7.071 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 70 19.689 -8.654 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.943 -5.665 -5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.250 -5.011 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 70 21.357 -7.801 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.172 -6.214 -6.921 1.00 0.00 H new ATOM 1120 N ASP A 71 12.897 -9.153 -4.214 1.00 0.00 N ATOM 1121 CA ASP A 71 11.640 -9.095 -4.934 1.00 0.00 C ATOM 1122 C ASP A 71 10.774 -7.934 -4.447 1.00 0.00 C ATOM 1123 O ASP A 71 9.871 -7.485 -5.154 1.00 0.00 O ATOM 1124 CB ASP A 71 10.892 -10.414 -4.765 1.00 0.00 C ATOM 1125 CG ASP A 71 10.883 -10.901 -3.328 1.00 0.00 C ATOM 1126 OD1 ASP A 71 10.041 -10.416 -2.543 1.00 0.00 O ATOM 1127 OD2 ASP A 71 11.717 -11.767 -2.989 1.00 0.00 O ATOM 0 H ASP A 71 13.075 -10.046 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 71 11.856 -8.930 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.865 -10.292 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.352 -11.172 -5.399 1.00 0.00 H new ATOM 1132 N ASP A 72 11.050 -7.452 -3.237 1.00 0.00 N ATOM 1133 CA ASP A 72 10.289 -6.346 -2.667 1.00 0.00 C ATOM 1134 C ASP A 72 10.957 -5.002 -2.962 1.00 0.00 C ATOM 1135 O ASP A 72 10.653 -3.996 -2.319 1.00 0.00 O ATOM 1136 CB ASP A 72 10.138 -6.532 -1.155 1.00 0.00 C ATOM 1137 CG ASP A 72 8.773 -7.071 -0.775 1.00 0.00 C ATOM 1138 OD1 ASP A 72 7.831 -6.261 -0.642 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.646 -8.303 -0.609 1.00 0.00 O ATOM 0 H ASP A 72 11.792 -7.809 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 72 9.302 -6.345 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.908 -7.215 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.301 -5.577 -0.656 1.00 0.00 H new ATOM 1144 N SER A 73 11.865 -4.988 -3.935 1.00 0.00 N ATOM 1145 CA SER A 73 12.568 -3.763 -4.308 1.00 0.00 C ATOM 1146 C SER A 73 12.141 -3.296 -5.695 1.00 0.00 C ATOM 1147 O SER A 73 11.839 -4.111 -6.567 1.00 0.00 O ATOM 1148 CB SER A 73 14.081 -3.992 -4.279 1.00 0.00 C ATOM 1149 OG SER A 73 14.740 -2.953 -3.576 1.00 0.00 O ATOM 0 H SER A 73 12.131 -5.809 -4.478 1.00 0.00 H new ATOM 0 HA SER A 73 12.310 -2.988 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.298 -4.950 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.464 -4.045 -5.298 1.00 0.00 H new ATOM 0 HG SER A 73 14.269 -2.107 -3.726 1.00 0.00 H new ATOM 1155 N GLY A 74 12.120 -1.981 -5.897 1.00 0.00 N ATOM 1156 CA GLY A 74 11.731 -1.445 -7.188 1.00 0.00 C ATOM 1157 C GLY A 74 10.768 -0.267 -7.076 1.00 0.00 C ATOM 1158 O GLY A 74 11.127 0.769 -6.519 1.00 0.00 O ATOM 0 H GLY A 74 12.364 -1.282 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.623 -1.128 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.265 -2.234 -7.778 1.00 0.00 H new ATOM 1162 N THR A 75 9.549 -0.407 -7.609 1.00 0.00 N ATOM 1163 CA THR A 75 8.570 0.682 -7.556 1.00 0.00 C ATOM 1164 C THR A 75 7.177 0.146 -7.220 1.00 0.00 C ATOM 1165 O THR A 75 6.698 -0.802 -7.843 1.00 0.00 O ATOM 1166 CB THR A 75 8.552 1.421 -8.901 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.513 2.462 -8.908 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.214 2.036 -9.250 1.00 0.00 C ATOM 0 H THR A 75 9.221 -1.252 -8.076 1.00 0.00 H new ATOM 0 HA THR A 75 8.859 1.378 -6.768 1.00 0.00 H new ATOM 0 HB THR A 75 8.777 0.656 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.227 3.176 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.285 2.539 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.457 1.254 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.935 2.759 -8.483 1.00 0.00 H new ATOM 1176 N TYR A 76 6.530 0.769 -6.238 1.00 0.00 N ATOM 1177 CA TYR A 76 5.189 0.367 -5.827 1.00 0.00 C ATOM 1178 C TYR A 76 4.154 1.352 -6.358 1.00 0.00 C ATOM 1179 O TYR A 76 4.455 2.527 -6.566 1.00 0.00 O ATOM 1180 CB TYR A 76 5.098 0.288 -4.301 1.00 0.00 C ATOM 1181 CG TYR A 76 5.790 -0.920 -3.712 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.174 -1.034 -3.747 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.063 -1.947 -3.120 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.811 -2.134 -3.210 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.697 -3.050 -2.580 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.070 -3.139 -2.627 1.00 0.00 C ATOM 1187 OH TYR A 76 7.702 -4.236 -2.089 1.00 0.00 O ATOM 0 H TYR A 76 6.914 1.554 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 76 4.984 -0.619 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.535 1.190 -3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.048 0.272 -4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.761 -0.249 -4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.986 -1.882 -3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.888 -2.207 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.118 -3.839 -2.123 1.00 0.00 H new ATOM 0 HH TYR A 76 7.076 -4.725 -1.515 1.00 0.00 H new ATOM 1197 N ASN A 77 2.935 0.869 -6.580 1.00 0.00 N ATOM 1198 CA ASN A 77 1.865 1.717 -7.093 1.00 0.00 C ATOM 1199 C ASN A 77 0.581 1.533 -6.288 1.00 0.00 C ATOM 1200 O ASN A 77 0.071 0.417 -6.159 1.00 0.00 O ATOM 1201 CB ASN A 77 1.601 1.400 -8.566 1.00 0.00 C ATOM 1202 CG ASN A 77 2.365 2.316 -9.502 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.352 3.536 -9.344 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.036 1.729 -10.487 1.00 0.00 N ATOM 0 H ASN A 77 2.665 -0.100 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 77 2.185 2.755 -6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.879 0.366 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.533 1.488 -8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.568 2.294 -11.149 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.019 0.713 -10.581 1.00 0.00 H new ATOM 1211 N VAL A 78 0.058 2.636 -5.756 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.173 2.591 -4.975 1.00 0.00 C ATOM 1213 C VAL A 78 -2.330 3.242 -5.729 1.00 0.00 C ATOM 1214 O VAL A 78 -2.228 4.392 -6.166 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.046 3.291 -3.601 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.859 2.540 -2.556 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.410 3.432 -3.162 1.00 0.00 C ATOM 0 H VAL A 78 0.466 3.566 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.369 1.531 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.445 4.300 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.763 3.040 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.907 2.523 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.489 1.518 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.451 3.929 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.864 2.444 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.956 4.024 -3.897 1.00 0.00 H new ATOM 1227 N THR A 79 -3.434 2.508 -5.854 1.00 0.00 N ATOM 1228 CA THR A 79 -4.622 3.017 -6.529 1.00 0.00 C ATOM 1229 C THR A 79 -5.763 3.152 -5.529 1.00 0.00 C ATOM 1230 O THR A 79 -6.450 2.179 -5.214 1.00 0.00 O ATOM 1231 CB THR A 79 -5.030 2.096 -7.684 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.044 1.106 -7.913 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.245 2.841 -8.984 1.00 0.00 C ATOM 0 H THR A 79 -3.529 1.558 -5.496 1.00 0.00 H new ATOM 0 HA THR A 79 -4.394 3.998 -6.946 1.00 0.00 H new ATOM 0 HB THR A 79 -5.973 1.643 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.199 0.686 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.532 2.136 -9.764 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.036 3.580 -8.854 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.322 3.345 -9.272 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.945 4.363 -5.020 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.985 4.639 -4.037 1.00 0.00 C ATOM 1243 C VAL A 80 -8.302 5.005 -4.713 1.00 0.00 C ATOM 1244 O VAL A 80 -8.339 5.843 -5.614 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.556 5.783 -3.088 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.691 6.180 -2.155 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.320 5.391 -2.285 1.00 0.00 C ATOM 0 H VAL A 80 -5.382 5.175 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.132 3.729 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.307 6.646 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.359 6.986 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.544 6.518 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.984 5.320 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.039 6.212 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.539 4.506 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.497 5.175 -2.966 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.386 4.373 -4.266 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.704 4.634 -4.819 1.00 0.00 C ATOM 1259 C TYR A 81 -11.691 5.019 -3.729 1.00 0.00 C ATOM 1260 O TYR A 81 -11.537 4.645 -2.563 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.231 3.417 -5.558 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.434 3.055 -6.792 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.637 3.723 -7.993 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.477 2.048 -6.756 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.911 3.397 -9.123 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.747 1.717 -7.882 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.968 2.394 -9.062 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.242 2.067 -10.185 1.00 0.00 O ATOM 0 H TYR A 81 -9.372 3.676 -3.521 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.602 5.465 -5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.236 2.565 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.266 3.600 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.375 4.510 -8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.301 1.515 -5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.082 3.926 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.007 0.932 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.619 1.341 -9.972 1.00 0.00 H new ATOM 1278 N SER A 82 -12.712 5.758 -4.138 1.00 0.00 N ATOM 1279 CA SER A 82 -13.757 6.220 -3.233 1.00 0.00 C ATOM 1280 C SER A 82 -14.878 5.194 -3.107 1.00 0.00 C ATOM 1281 O SER A 82 -14.878 4.167 -3.787 1.00 0.00 O ATOM 1282 CB SER A 82 -14.329 7.554 -3.721 1.00 0.00 C ATOM 1283 OG SER A 82 -13.800 7.908 -4.987 1.00 0.00 O ATOM 0 H SER A 82 -12.840 6.055 -5.105 1.00 0.00 H new ATOM 0 HA SER A 82 -13.307 6.356 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.415 7.485 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.101 8.337 -2.997 1.00 0.00 H new ATOM 0 HG SER A 82 -14.172 8.770 -5.267 1.00 0.00 H new ATOM 1289 N THR A 83 -15.835 5.487 -2.234 1.00 0.00 N ATOM 1290 CA THR A 83 -16.972 4.601 -2.012 1.00 0.00 C ATOM 1291 C THR A 83 -17.810 4.453 -3.280 1.00 0.00 C ATOM 1292 O THR A 83 -18.544 3.479 -3.438 1.00 0.00 O ATOM 1293 CB THR A 83 -17.843 5.132 -0.872 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.923 6.546 -0.919 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.334 4.746 0.501 1.00 0.00 C ATOM 0 H THR A 83 -15.846 6.334 -1.666 1.00 0.00 H new ATOM 0 HA THR A 83 -16.584 3.619 -1.740 1.00 0.00 H new ATOM 0 HB THR A 83 -18.822 4.676 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.485 6.866 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.998 5.155 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.308 3.660 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.330 5.146 0.642 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.696 5.424 -4.182 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.446 5.395 -5.433 1.00 0.00 C ATOM 1305 C ASN A 84 -17.603 4.817 -6.566 1.00 0.00 C ATOM 1306 O ASN A 84 -17.842 5.107 -7.739 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.918 6.803 -5.801 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.869 7.381 -4.772 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.404 6.662 -3.929 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.084 8.691 -4.835 1.00 0.00 N ATOM 0 H ASN A 84 -17.093 6.239 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.314 4.752 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.053 7.459 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.411 6.776 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.713 9.137 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.620 9.250 -5.551 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.616 3.998 -6.212 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.758 3.393 -7.214 1.00 0.00 C ATOM 1319 C GLY A 85 -15.072 4.421 -8.093 1.00 0.00 C ATOM 1320 O GLY A 85 -14.739 4.140 -9.244 1.00 0.00 O ATOM 0 H GLY A 85 -16.396 3.743 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.003 2.782 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.351 2.724 -7.838 1.00 0.00 H new ATOM 1324 N THR A 86 -14.862 5.616 -7.551 1.00 0.00 N ATOM 1325 CA THR A 86 -14.213 6.688 -8.293 1.00 0.00 C ATOM 1326 C THR A 86 -12.728 6.764 -7.951 1.00 0.00 C ATOM 1327 O THR A 86 -12.302 6.310 -6.890 1.00 0.00 O ATOM 1328 CB THR A 86 -14.887 8.029 -7.992 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.200 7.829 -7.496 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.985 8.934 -9.200 1.00 0.00 C ATOM 0 H THR A 86 -15.132 5.866 -6.600 1.00 0.00 H new ATOM 0 HA THR A 86 -14.313 6.471 -9.357 1.00 0.00 H new ATOM 0 HB THR A 86 -14.253 8.511 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.614 8.697 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.473 9.867 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.985 9.147 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.568 8.441 -9.978 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.945 7.343 -8.857 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.506 7.479 -8.647 1.00 0.00 C ATOM 1340 C ARG A 87 -10.210 8.623 -7.684 1.00 0.00 C ATOM 1341 O ARG A 87 -10.410 9.792 -8.011 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.784 7.715 -9.978 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.468 7.072 -11.176 1.00 0.00 C ATOM 1344 CD ARG A 87 -11.221 8.100 -12.006 1.00 0.00 C ATOM 1345 NE ARG A 87 -12.379 7.517 -12.681 1.00 0.00 N ATOM 1346 CZ ARG A 87 -13.340 8.234 -13.258 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -13.286 9.560 -13.244 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -14.357 7.625 -13.851 1.00 0.00 N ATOM 0 H ARG A 87 -12.281 7.725 -9.741 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.140 6.550 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.704 8.788 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.768 7.328 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.723 6.575 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.160 6.303 -10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.550 8.916 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.548 8.531 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.455 6.500 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.505 10.034 -12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.025 10.105 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.403 6.606 -13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.093 8.175 -14.293 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.736 8.277 -6.492 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.416 9.273 -5.477 1.00 0.00 C ATOM 1364 C ILE A 88 -7.948 9.681 -5.541 1.00 0.00 C ATOM 1365 O ILE A 88 -7.629 10.869 -5.589 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.741 8.751 -4.059 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.244 8.512 -3.916 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.251 9.726 -2.994 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -12.067 9.780 -3.993 1.00 0.00 C ATOM 0 H ILE A 88 -9.565 7.313 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 88 -10.034 10.147 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.220 7.804 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.571 7.828 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.437 8.021 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.492 9.336 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.172 9.849 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.739 10.691 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.124 9.535 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.767 10.458 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.904 10.262 -4.957 1.00 0.00 H new ATOM 1381 N LEU A 89 -7.056 8.696 -5.532 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.625 8.975 -5.579 1.00 0.00 C ATOM 1383 C LEU A 89 -4.851 7.843 -6.250 1.00 0.00 C ATOM 1384 O LEU A 89 -5.234 6.678 -6.175 1.00 0.00 O ATOM 1385 CB LEU A 89 -5.091 9.208 -4.160 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.565 9.182 -4.019 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.105 10.212 -2.999 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -3.091 7.791 -3.624 1.00 0.00 C ATOM 0 H LEU A 89 -7.296 7.705 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.480 9.875 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.455 10.173 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.513 8.448 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.126 9.435 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.019 10.179 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.413 11.206 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.553 9.990 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.005 7.790 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.540 7.511 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.388 7.074 -4.390 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.748 8.210 -6.890 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.881 7.252 -7.567 1.00 0.00 C ATOM 1402 C ASN A 90 -1.427 7.660 -7.361 1.00 0.00 C ATOM 1403 O ASN A 90 -0.976 8.666 -7.911 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.211 7.191 -9.061 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.390 5.770 -9.557 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.290 5.484 -10.346 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.532 4.869 -9.093 1.00 0.00 N ATOM 0 H ASN A 90 -3.429 9.177 -6.955 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.043 6.260 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.123 7.757 -9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.413 7.672 -9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.604 3.896 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.801 5.150 -8.440 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.704 6.902 -6.545 1.00 0.00 N ATOM 1415 CA LYS A 91 0.689 7.231 -6.254 1.00 0.00 C ATOM 1416 C LYS A 91 1.644 6.101 -6.619 1.00 0.00 C ATOM 1417 O LYS A 91 1.263 4.932 -6.672 1.00 0.00 O ATOM 1418 CB LYS A 91 0.846 7.576 -4.773 1.00 0.00 C ATOM 1419 CG LYS A 91 0.029 8.779 -4.335 1.00 0.00 C ATOM 1420 CD LYS A 91 0.822 10.069 -4.464 1.00 0.00 C ATOM 1421 CE LYS A 91 0.626 10.711 -5.828 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.889 11.304 -6.348 1.00 0.00 N ATOM 0 H LYS A 91 -1.052 6.065 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 91 0.950 8.092 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.554 6.713 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.898 7.767 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.876 8.845 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.288 8.648 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.513 10.766 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.881 9.863 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.259 9.964 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.137 11.486 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.714 11.732 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.226 12.035 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.610 10.560 -6.439 1.00 0.00 H new ATOM 1436 N ALA A 92 2.899 6.475 -6.854 1.00 0.00 N ATOM 1437 CA ALA A 92 3.945 5.525 -7.200 1.00 0.00 C ATOM 1438 C ALA A 92 5.243 5.888 -6.485 1.00 0.00 C ATOM 1439 O ALA A 92 5.738 7.007 -6.614 1.00 0.00 O ATOM 1440 CB ALA A 92 4.157 5.501 -8.703 1.00 0.00 C ATOM 0 H ALA A 92 3.216 7.443 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 92 3.637 4.530 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.942 4.786 -8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.231 5.206 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.450 6.494 -9.045 1.00 0.00 H new ATOM 1446 N LEU A 93 5.784 4.945 -5.721 1.00 0.00 N ATOM 1447 CA LEU A 93 7.019 5.186 -4.978 1.00 0.00 C ATOM 1448 C LEU A 93 8.099 4.178 -5.351 1.00 0.00 C ATOM 1449 O LEU A 93 7.813 3.127 -5.924 1.00 0.00 O ATOM 1450 CB LEU A 93 6.754 5.122 -3.472 1.00 0.00 C ATOM 1451 CG LEU A 93 5.387 5.645 -3.025 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.298 4.630 -3.336 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.403 5.971 -1.539 1.00 0.00 C ATOM 0 H LEU A 93 5.391 4.012 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 93 7.374 6.182 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.853 4.086 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.528 5.693 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 93 5.171 6.560 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.334 5.020 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.271 4.443 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.508 3.698 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.423 6.342 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.641 5.071 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.156 6.734 -1.342 1.00 0.00 H new ATOM 1465 N ASP A 94 9.343 4.505 -5.012 1.00 0.00 N ATOM 1466 CA ASP A 94 10.474 3.631 -5.298 1.00 0.00 C ATOM 1467 C ASP A 94 11.044 3.056 -4.006 1.00 0.00 C ATOM 1468 O ASP A 94 11.255 3.782 -3.034 1.00 0.00 O ATOM 1469 CB ASP A 94 11.561 4.396 -6.055 1.00 0.00 C ATOM 1470 CG ASP A 94 11.362 4.351 -7.558 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.299 4.806 -8.029 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.269 3.861 -8.262 1.00 0.00 O ATOM 0 H ASP A 94 9.593 5.373 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 94 10.123 2.809 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.568 5.434 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.536 3.976 -5.808 1.00 0.00 H new ATOM 1477 N LEU A 95 11.285 1.750 -3.993 1.00 0.00 N ATOM 1478 CA LEU A 95 11.826 1.086 -2.808 1.00 0.00 C ATOM 1479 C LEU A 95 13.237 0.557 -3.054 1.00 0.00 C ATOM 1480 O LEU A 95 13.408 -0.532 -3.607 1.00 0.00 O ATOM 1481 CB LEU A 95 10.927 -0.079 -2.374 1.00 0.00 C ATOM 1482 CG LEU A 95 11.422 -0.885 -1.165 1.00 0.00 C ATOM 1483 CD1 LEU A 95 11.977 0.022 -0.080 1.00 0.00 C ATOM 1484 CD2 LEU A 95 10.300 -1.749 -0.610 1.00 0.00 C ATOM 0 H LEU A 95 11.116 1.130 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 95 11.863 1.835 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.937 0.316 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.811 -0.759 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 95 12.232 -1.531 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.318 -0.583 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.814 0.595 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.197 0.705 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.666 -2.315 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.472 -1.113 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.957 -2.439 -1.381 1.00 0.00 H new ATOM 1496 N ARG A 96 14.239 1.319 -2.627 1.00 0.00 N ATOM 1497 CA ARG A 96 15.630 0.908 -2.784 1.00 0.00 C ATOM 1498 C ARG A 96 16.119 0.226 -1.510 1.00 0.00 C ATOM 1499 O ARG A 96 16.307 0.871 -0.472 1.00 0.00 O ATOM 1500 CB ARG A 96 16.529 2.100 -3.134 1.00 0.00 C ATOM 1501 CG ARG A 96 15.766 3.329 -3.613 1.00 0.00 C ATOM 1502 CD ARG A 96 14.938 3.024 -4.855 1.00 0.00 C ATOM 1503 NE ARG A 96 15.554 1.999 -5.697 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.630 2.209 -6.452 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.212 3.402 -6.474 1.00 0.00 N ATOM 1506 NH2 ARG A 96 17.126 1.222 -7.187 1.00 0.00 N ATOM 0 H ARG A 96 14.114 2.223 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 96 15.684 0.200 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.117 2.369 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.233 1.797 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.112 3.685 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.469 4.133 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.944 2.694 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.808 3.937 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 96 15.135 1.069 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.835 4.164 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.036 3.557 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.683 0.303 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.950 1.382 -7.766 1.00 0.00 H new ATOM 1520 N ILE A 97 16.296 -1.089 -1.589 1.00 0.00 N ATOM 1521 CA ILE A 97 16.734 -1.873 -0.442 1.00 0.00 C ATOM 1522 C ILE A 97 18.184 -2.321 -0.577 1.00 0.00 C ATOM 1523 O ILE A 97 18.506 -3.178 -1.401 1.00 0.00 O ATOM 1524 CB ILE A 97 15.857 -3.127 -0.243 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.406 -2.856 -0.652 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.926 -3.589 1.204 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.639 -4.110 -1.010 1.00 0.00 C ATOM 0 H ILE A 97 16.142 -1.634 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 97 16.638 -1.215 0.422 1.00 0.00 H new ATOM 0 HB ILE A 97 16.242 -3.919 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.895 -2.347 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.397 -2.178 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.304 -4.474 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.958 -3.830 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.566 -2.794 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.619 -3.845 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.127 -4.609 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.617 -4.781 -0.151 1.00 0.00 H new ATOM 1539 N LEU A 98 19.049 -1.751 0.251 1.00 0.00 N ATOM 1540 CA LEU A 98 20.447 -2.092 0.249 1.00 0.00 C ATOM 1541 C LEU A 98 20.641 -3.529 0.717 1.00 0.00 C ATOM 1542 O LEU A 98 20.155 -3.924 1.781 1.00 0.00 O ATOM 1543 CB LEU A 98 21.190 -1.128 1.165 1.00 0.00 C ATOM 1544 CG LEU A 98 21.838 0.061 0.461 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.393 1.047 1.477 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.932 -0.408 -0.486 1.00 0.00 C ATOM 0 H LEU A 98 18.792 -1.042 0.938 1.00 0.00 H new ATOM 0 HA LEU A 98 20.843 -2.010 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.493 -0.752 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.963 -1.681 1.699 1.00 0.00 H new ATOM 0 HG LEU A 98 21.074 0.570 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.851 1.888 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.584 1.410 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.142 0.551 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.382 0.454 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.696 -0.943 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.503 -1.072 -1.237 1.00 0.00 H new