USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, 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 Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 ASN : amide:sc= -3.21 K(o=-3.2,f=-9.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -36:sc= 1.44 USER MOD Single : A 37 SER OG : rot 180:sc= -0.451 USER MOD Single : A 39 SER OG : rot -80:sc= -0.174 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.519 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -171:sc= -14.1! (180deg=-14.2!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.364 (180deg=-1.33!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.61! C(o=-3.6!,f=-2.6!) USER MOD Single : A 78 ASN :FLIP amide:sc= -2.35 F(o=-3.2,f=-2.3) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00421 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc=-0.00149 X(o=-0.0015,f=-0.018) USER MOD Single : A 95 CYS SG : rot 160:sc= -1.03 USER MOD Single : A 97 SER OG : rot 18:sc= 0.252 USER MOD Single : A 98 GLN :FLIP amide:sc= -1.21 F(o=-2.4!,f=-1.2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -29:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.547 12.887 4.748 1.00 0.00 N ATOM 67 CA VAL A 8 8.367 12.035 4.835 1.00 0.00 C ATOM 68 C VAL A 8 7.142 12.732 4.253 1.00 0.00 C ATOM 69 O VAL A 8 6.933 13.925 4.472 1.00 0.00 O ATOM 70 CB VAL A 8 8.072 11.632 6.292 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.668 12.848 7.111 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.990 10.563 6.339 1.00 0.00 C ATOM 0 HA VAL A 8 8.581 11.138 4.254 1.00 0.00 H new ATOM 0 HB VAL A 8 8.981 11.217 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.463 12.544 8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.478 13.577 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.772 13.296 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.794 10.289 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.077 10.949 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.324 9.683 5.789 1.00 0.00 H new ATOM 82 N ILE A 9 6.336 11.979 3.513 1.00 0.00 N ATOM 83 CA ILE A 9 5.131 12.524 2.901 1.00 0.00 C ATOM 84 C ILE A 9 3.882 12.082 3.657 1.00 0.00 C ATOM 85 O ILE A 9 2.922 12.840 3.787 1.00 0.00 O ATOM 86 CB ILE A 9 5.003 12.094 1.428 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.271 12.463 0.655 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.782 12.740 0.791 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.282 11.952 -0.769 1.00 0.00 C ATOM 0 H ILE A 9 6.496 10.990 3.323 1.00 0.00 H new ATOM 0 HA ILE A 9 5.217 13.610 2.948 1.00 0.00 H new ATOM 0 HB ILE A 9 4.878 11.012 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.377 13.548 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.137 12.063 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.706 12.426 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.885 12.433 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.879 13.825 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.210 12.251 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.208 10.865 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.436 12.372 -1.313 1.00 0.00 H new ATOM 101 N ARG A 10 3.905 10.850 4.156 1.00 0.00 N ATOM 102 CA ARG A 10 2.775 10.307 4.901 1.00 0.00 C ATOM 103 C ARG A 10 3.185 9.058 5.676 1.00 0.00 C ATOM 104 O ARG A 10 4.120 8.356 5.292 1.00 0.00 O ATOM 105 CB ARG A 10 1.623 9.976 3.951 1.00 0.00 C ATOM 106 CG ARG A 10 0.273 9.875 4.642 1.00 0.00 C ATOM 107 CD ARG A 10 -0.379 11.241 4.794 1.00 0.00 C ATOM 108 NE ARG A 10 -0.008 11.888 6.049 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.478 13.069 6.434 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.333 13.729 5.665 1.00 0.00 N ATOM 111 NH2 ARG A 10 -0.093 13.593 7.592 1.00 0.00 N ATOM 0 H ARG A 10 4.693 10.210 4.058 1.00 0.00 H new ATOM 0 HA ARG A 10 2.444 11.063 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.569 10.742 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.837 9.032 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.382 9.220 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.399 9.419 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.087 11.877 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.463 11.132 4.749 1.00 0.00 H new ATOM 0 HE ARG A 10 0.648 11.407 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.632 13.330 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.692 14.636 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.564 13.088 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.455 14.500 7.887 1.00 0.00 H new ATOM 125 N ARG A 11 2.478 8.787 6.768 1.00 0.00 N ATOM 126 CA ARG A 11 2.769 7.624 7.598 1.00 0.00 C ATOM 127 C ARG A 11 1.538 7.203 8.395 1.00 0.00 C ATOM 128 O ARG A 11 0.758 8.044 8.843 1.00 0.00 O ATOM 129 CB ARG A 11 3.927 7.927 8.550 1.00 0.00 C ATOM 130 CG ARG A 11 5.220 8.293 7.839 1.00 0.00 C ATOM 131 CD ARG A 11 6.394 8.334 8.804 1.00 0.00 C ATOM 132 NE ARG A 11 6.515 9.630 9.465 1.00 0.00 N ATOM 133 CZ ARG A 11 5.815 9.976 10.539 1.00 0.00 C ATOM 134 NH1 ARG A 11 4.950 9.125 11.072 1.00 0.00 N ATOM 135 NH2 ARG A 11 5.981 11.175 11.084 1.00 0.00 N ATOM 0 H ARG A 11 1.699 9.357 7.099 1.00 0.00 H new ATOM 0 HA ARG A 11 3.054 6.802 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.640 8.747 9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.104 7.057 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.421 7.568 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.109 9.265 7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.273 7.554 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.315 8.115 8.264 1.00 0.00 H new ATOM 0 HE ARG A 11 7.174 10.307 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.821 8.202 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.413 9.393 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.647 11.832 10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.442 11.439 11.909 1.00 0.00 H new ATOM 149 N GLY A 12 1.369 5.896 8.568 1.00 0.00 N ATOM 150 CA GLY A 12 0.231 5.386 9.311 1.00 0.00 C ATOM 151 C GLY A 12 0.147 3.873 9.277 1.00 0.00 C ATOM 152 O GLY A 12 0.739 3.232 8.409 1.00 0.00 O ATOM 0 H GLY A 12 2.000 5.181 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.298 5.720 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.686 5.807 8.899 1.00 0.00 H new ATOM 156 N TRP A 13 -0.587 3.302 10.224 1.00 0.00 N ATOM 157 CA TRP A 13 -0.745 1.854 10.300 1.00 0.00 C ATOM 158 C TRP A 13 -1.849 1.377 9.364 1.00 0.00 C ATOM 159 O TRP A 13 -2.997 1.810 9.470 1.00 0.00 O ATOM 160 CB TRP A 13 -1.057 1.429 11.736 1.00 0.00 C ATOM 161 CG TRP A 13 0.058 1.715 12.696 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.428 2.936 13.183 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.948 0.760 13.284 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.495 2.798 14.037 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.833 1.472 14.117 1.00 0.00 C ATOM 166 CE3 TRP A 13 1.084 -0.628 13.188 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.837 0.843 14.848 1.00 0.00 C ATOM 168 CZ3 TRP A 13 2.081 -1.251 13.914 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.946 -0.517 14.736 1.00 0.00 C ATOM 0 H TRP A 13 -1.082 3.819 10.950 1.00 0.00 H new ATOM 0 HA TRP A 13 0.193 1.394 9.988 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.957 1.944 12.072 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.276 0.361 11.752 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.048 3.873 12.933 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.960 3.559 14.532 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.422 -1.203 12.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.506 1.408 15.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.195 -2.323 13.847 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.714 -1.034 15.292 1.00 0.00 H new ATOM 180 N LEU A 14 -1.496 0.482 8.448 1.00 0.00 N ATOM 181 CA LEU A 14 -2.459 -0.055 7.492 1.00 0.00 C ATOM 182 C LEU A 14 -2.619 -1.561 7.668 1.00 0.00 C ATOM 183 O LEU A 14 -1.710 -2.242 8.145 1.00 0.00 O ATOM 184 CB LEU A 14 -2.017 0.259 6.062 1.00 0.00 C ATOM 185 CG LEU A 14 -2.164 1.715 5.618 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.473 1.938 4.281 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.633 2.100 5.531 1.00 0.00 C ATOM 0 H LEU A 14 -0.551 0.113 8.347 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.423 0.418 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.971 -0.029 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.591 -0.368 5.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.685 2.352 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.588 2.980 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.413 1.703 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.922 1.292 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.719 3.139 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.135 1.457 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.099 1.980 6.509 1.00 0.00 H new ATOM 199 N THR A 15 -3.780 -2.078 7.278 1.00 0.00 N ATOM 200 CA THR A 15 -4.059 -3.504 7.391 1.00 0.00 C ATOM 201 C THR A 15 -4.148 -4.157 6.017 1.00 0.00 C ATOM 202 O THR A 15 -5.068 -3.881 5.246 1.00 0.00 O ATOM 203 CB THR A 15 -5.372 -3.760 8.155 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.247 -3.308 9.509 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.727 -5.239 8.140 1.00 0.00 C ATOM 0 H THR A 15 -4.543 -1.530 6.881 1.00 0.00 H new ATOM 0 HA THR A 15 -3.232 -3.945 7.947 1.00 0.00 H new ATOM 0 HB THR A 15 -6.169 -3.206 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.086 -3.473 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.658 -5.395 8.685 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.850 -5.573 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.928 -5.810 8.614 1.00 0.00 H new ATOM 213 N ILE A 16 -3.189 -5.026 5.717 1.00 0.00 N ATOM 214 CA ILE A 16 -3.161 -5.720 4.436 1.00 0.00 C ATOM 215 C ILE A 16 -4.336 -6.683 4.307 1.00 0.00 C ATOM 216 O ILE A 16 -4.243 -7.847 4.692 1.00 0.00 O ATOM 217 CB ILE A 16 -1.848 -6.502 4.247 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.648 -5.555 4.327 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.858 -7.243 2.918 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.686 -6.260 4.225 1.00 0.00 C ATOM 0 H ILE A 16 -2.421 -5.266 6.344 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.233 -4.956 3.662 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.762 -7.236 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.723 -4.819 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.689 -5.008 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.923 -7.791 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.693 -7.943 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.965 -6.527 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.491 -5.527 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.782 -6.977 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.748 -6.785 3.272 1.00 0.00 H new ATOM 232 N ASN A 17 -5.442 -6.189 3.760 1.00 0.00 N ATOM 233 CA ASN A 17 -6.636 -7.006 3.578 1.00 0.00 C ATOM 234 C ASN A 17 -6.293 -8.327 2.897 1.00 0.00 C ATOM 235 O ASN A 17 -6.587 -9.401 3.420 1.00 0.00 O ATOM 236 CB ASN A 17 -7.677 -6.248 2.751 1.00 0.00 C ATOM 237 CG ASN A 17 -9.094 -6.698 3.053 1.00 0.00 C ATOM 238 OD1 ASN A 17 -9.310 -7.773 3.611 1.00 0.00 O ATOM 239 ND2 ASN A 17 -10.067 -5.873 2.683 1.00 0.00 N ATOM 0 H ASN A 17 -5.536 -5.227 3.435 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.051 -7.222 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.588 -5.180 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.471 -6.393 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.041 -6.121 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.841 -4.991 2.223 1.00 0.00 H new ATOM 246 N ASN A 18 -5.668 -8.239 1.728 1.00 0.00 N ATOM 247 CA ASN A 18 -5.284 -9.427 0.974 1.00 0.00 C ATOM 248 C ASN A 18 -4.891 -10.563 1.914 1.00 0.00 C ATOM 249 O ASN A 18 -5.610 -11.555 2.040 1.00 0.00 O ATOM 250 CB ASN A 18 -4.123 -9.106 0.031 1.00 0.00 C ATOM 251 CG ASN A 18 -4.596 -8.569 -1.306 1.00 0.00 C ATOM 252 OD1 ASN A 18 -5.792 -8.368 -1.519 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.657 -8.335 -2.215 1.00 0.00 N ATOM 0 H ASN A 18 -5.416 -7.357 1.282 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.143 -9.746 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.467 -8.374 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.531 -10.006 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.915 -7.974 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.678 -8.516 -1.995 1.00 0.00 H new ATOM 395 N GLU A 28 -1.556 -5.921 10.941 1.00 0.00 N ATOM 396 CA GLU A 28 -1.273 -4.492 10.881 1.00 0.00 C ATOM 397 C GLU A 28 0.229 -4.238 10.795 1.00 0.00 C ATOM 398 O GLU A 28 1.022 -4.899 11.467 1.00 0.00 O ATOM 399 CB GLU A 28 -1.851 -3.784 12.108 1.00 0.00 C ATOM 400 CG GLU A 28 -0.949 -3.848 13.330 1.00 0.00 C ATOM 401 CD GLU A 28 -1.711 -3.663 14.628 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.507 -4.558 14.980 1.00 0.00 O ATOM 403 OE2 GLU A 28 -1.511 -2.624 15.290 1.00 0.00 O ATOM 0 HA GLU A 28 -1.744 -4.092 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.038 -2.739 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.814 -4.231 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.436 -4.809 13.348 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.181 -3.078 13.251 1.00 0.00 H new ATOM 410 N TYR A 29 0.613 -3.277 9.962 1.00 0.00 N ATOM 411 CA TYR A 29 2.020 -2.937 9.784 1.00 0.00 C ATOM 412 C TYR A 29 2.226 -1.426 9.832 1.00 0.00 C ATOM 413 O TYR A 29 1.274 -0.664 10.001 1.00 0.00 O ATOM 414 CB TYR A 29 2.536 -3.491 8.455 1.00 0.00 C ATOM 415 CG TYR A 29 2.809 -4.978 8.483 1.00 0.00 C ATOM 416 CD1 TYR A 29 4.036 -5.471 8.908 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.838 -5.889 8.086 1.00 0.00 C ATOM 418 CE1 TYR A 29 4.290 -6.828 8.935 1.00 0.00 C ATOM 419 CE2 TYR A 29 2.083 -7.249 8.111 1.00 0.00 C ATOM 420 CZ TYR A 29 3.310 -7.713 8.536 1.00 0.00 C ATOM 421 OH TYR A 29 3.559 -9.067 8.562 1.00 0.00 O ATOM 0 H TYR A 29 -0.030 -2.720 9.400 1.00 0.00 H new ATOM 0 HA TYR A 29 2.583 -3.388 10.601 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.805 -3.279 7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.453 -2.967 8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.805 -4.781 9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.876 -5.529 7.752 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.250 -7.194 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.318 -7.944 7.799 1.00 0.00 H new ATOM 0 HH TYR A 29 2.766 -9.552 8.251 1.00 0.00 H new ATOM 431 N TRP A 30 3.475 -1.001 9.683 1.00 0.00 N ATOM 432 CA TRP A 30 3.807 0.419 9.709 1.00 0.00 C ATOM 433 C TRP A 30 4.240 0.902 8.329 1.00 0.00 C ATOM 434 O TRP A 30 5.421 0.850 7.985 1.00 0.00 O ATOM 435 CB TRP A 30 4.916 0.686 10.728 1.00 0.00 C ATOM 436 CG TRP A 30 5.378 2.112 10.742 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.618 2.574 10.404 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.608 3.259 11.116 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.665 3.941 10.545 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.444 4.385 10.979 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.293 3.446 11.549 1.00 0.00 C ATOM 442 CZ2 TRP A 30 5.006 5.676 11.263 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.860 4.728 11.831 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.714 5.829 11.686 1.00 0.00 C ATOM 0 H TRP A 30 4.274 -1.619 9.543 1.00 0.00 H new ATOM 0 HA TRP A 30 2.914 0.970 10.002 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.559 0.417 11.722 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.765 0.038 10.509 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.441 1.957 10.074 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.477 4.529 10.357 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.626 2.604 11.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.663 6.526 11.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.846 4.884 12.169 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.345 6.818 11.913 1.00 0.00 H new ATOM 455 N PHE A 31 3.278 1.373 7.542 1.00 0.00 N ATOM 456 CA PHE A 31 3.562 1.864 6.199 1.00 0.00 C ATOM 457 C PHE A 31 4.110 3.288 6.245 1.00 0.00 C ATOM 458 O PHE A 31 3.481 4.190 6.798 1.00 0.00 O ATOM 459 CB PHE A 31 2.297 1.821 5.339 1.00 0.00 C ATOM 460 CG PHE A 31 1.942 0.441 4.864 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.350 -0.472 5.722 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.201 0.056 3.558 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.024 -1.742 5.287 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.877 -1.213 3.117 1.00 0.00 C ATOM 465 CZ PHE A 31 1.287 -2.113 3.983 1.00 0.00 C ATOM 0 H PHE A 31 2.296 1.425 7.811 1.00 0.00 H new ATOM 0 HA PHE A 31 4.318 1.216 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.463 2.225 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.433 2.471 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.141 -0.187 6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.662 0.756 2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.564 -2.444 5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.085 -1.501 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.032 -3.105 3.641 1.00 0.00 H new ATOM 475 N VAL A 32 5.287 3.481 5.659 1.00 0.00 N ATOM 476 CA VAL A 32 5.921 4.794 5.633 1.00 0.00 C ATOM 477 C VAL A 32 6.143 5.268 4.201 1.00 0.00 C ATOM 478 O VAL A 32 7.078 4.833 3.528 1.00 0.00 O ATOM 479 CB VAL A 32 7.272 4.780 6.372 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.056 6.050 6.076 1.00 0.00 C ATOM 481 CG2 VAL A 32 7.059 4.612 7.869 1.00 0.00 C ATOM 0 H VAL A 32 5.821 2.745 5.196 1.00 0.00 H new ATOM 0 HA VAL A 32 5.245 5.482 6.141 1.00 0.00 H new ATOM 0 HB VAL A 32 7.853 3.931 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.008 6.022 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.240 6.122 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.482 6.917 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.024 4.604 8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.458 5.439 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.542 3.672 8.060 1.00 0.00 H new ATOM 491 N LEU A 33 5.276 6.164 3.740 1.00 0.00 N ATOM 492 CA LEU A 33 5.377 6.699 2.386 1.00 0.00 C ATOM 493 C LEU A 33 6.334 7.885 2.339 1.00 0.00 C ATOM 494 O LEU A 33 6.293 8.765 3.201 1.00 0.00 O ATOM 495 CB LEU A 33 3.997 7.122 1.880 1.00 0.00 C ATOM 496 CG LEU A 33 3.964 7.811 0.515 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.880 6.781 -0.601 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.796 8.783 0.436 1.00 0.00 C ATOM 0 H LEU A 33 4.496 6.535 4.283 1.00 0.00 H new ATOM 0 HA LEU A 33 5.769 5.914 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.362 6.237 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.553 7.794 2.615 1.00 0.00 H new ATOM 0 HG LEU A 33 4.889 8.375 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.857 7.290 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.750 6.125 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.973 6.189 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.788 9.264 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.861 8.241 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.900 9.541 1.212 1.00 0.00 H new ATOM 510 N THR A 34 7.195 7.906 1.327 1.00 0.00 N ATOM 511 CA THR A 34 8.161 8.984 1.166 1.00 0.00 C ATOM 512 C THR A 34 8.359 9.331 -0.305 1.00 0.00 C ATOM 513 O THR A 34 7.873 8.627 -1.189 1.00 0.00 O ATOM 514 CB THR A 34 9.524 8.614 1.783 1.00 0.00 C ATOM 515 OG1 THR A 34 10.134 7.563 1.026 1.00 0.00 O ATOM 516 CG2 THR A 34 9.362 8.175 3.230 1.00 0.00 C ATOM 0 H THR A 34 7.243 7.187 0.605 1.00 0.00 H new ATOM 0 HA THR A 34 7.757 9.851 1.689 1.00 0.00 H new ATOM 0 HB THR A 34 10.162 9.498 1.758 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.442 6.947 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.337 7.919 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.924 8.987 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.709 7.304 3.275 1.00 0.00 H new ATOM 524 N ALA A 35 9.077 10.421 -0.560 1.00 0.00 N ATOM 525 CA ALA A 35 9.342 10.859 -1.924 1.00 0.00 C ATOM 526 C ALA A 35 10.268 9.885 -2.644 1.00 0.00 C ATOM 527 O ALA A 35 10.411 9.939 -3.865 1.00 0.00 O ATOM 528 CB ALA A 35 9.942 12.257 -1.922 1.00 0.00 C ATOM 0 H ALA A 35 9.485 11.016 0.161 1.00 0.00 H new ATOM 0 HA ALA A 35 8.394 10.883 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.135 12.572 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.244 12.952 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.877 12.251 -1.362 1.00 0.00 H new ATOM 534 N GLU A 36 10.894 8.996 -1.879 1.00 0.00 N ATOM 535 CA GLU A 36 11.807 8.011 -2.446 1.00 0.00 C ATOM 536 C GLU A 36 11.087 6.693 -2.717 1.00 0.00 C ATOM 537 O GLU A 36 10.984 6.254 -3.862 1.00 0.00 O ATOM 538 CB GLU A 36 12.988 7.774 -1.501 1.00 0.00 C ATOM 539 CG GLU A 36 14.083 8.820 -1.622 1.00 0.00 C ATOM 540 CD GLU A 36 15.243 8.562 -0.680 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.083 8.801 0.536 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.309 8.122 -1.157 1.00 0.00 O ATOM 0 H GLU A 36 10.786 8.938 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 36 12.180 8.403 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.623 7.759 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.413 6.791 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.450 8.839 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.664 9.805 -1.415 1.00 0.00 H new ATOM 549 N SER A 37 10.591 6.067 -1.655 1.00 0.00 N ATOM 550 CA SER A 37 9.884 4.797 -1.776 1.00 0.00 C ATOM 551 C SER A 37 8.954 4.577 -0.587 1.00 0.00 C ATOM 552 O SER A 37 8.994 5.321 0.394 1.00 0.00 O ATOM 553 CB SER A 37 10.881 3.642 -1.880 1.00 0.00 C ATOM 554 OG SER A 37 11.932 3.954 -2.778 1.00 0.00 O ATOM 0 H SER A 37 10.666 6.419 -0.700 1.00 0.00 H new ATOM 0 HA SER A 37 9.282 4.830 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.293 3.424 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.366 2.742 -2.217 1.00 0.00 H new ATOM 0 HG SER A 37 12.556 3.200 -2.825 1.00 0.00 H new ATOM 560 N LEU A 38 8.117 3.550 -0.681 1.00 0.00 N ATOM 561 CA LEU A 38 7.176 3.229 0.387 1.00 0.00 C ATOM 562 C LEU A 38 7.484 1.864 0.993 1.00 0.00 C ATOM 563 O LEU A 38 7.286 0.831 0.353 1.00 0.00 O ATOM 564 CB LEU A 38 5.743 3.252 -0.146 1.00 0.00 C ATOM 565 CG LEU A 38 4.696 2.542 0.713 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.188 3.468 1.808 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.543 2.050 -0.149 1.00 0.00 C ATOM 0 H LEU A 38 8.070 2.925 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 38 7.279 3.983 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.439 4.292 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.738 2.799 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 38 5.165 1.678 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.444 2.946 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.020 3.771 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.736 4.351 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.808 1.547 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.074 2.898 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.920 1.352 -0.896 1.00 0.00 H new ATOM 579 N SER A 39 7.968 1.867 2.231 1.00 0.00 N ATOM 580 CA SER A 39 8.305 0.628 2.923 1.00 0.00 C ATOM 581 C SER A 39 7.424 0.437 4.153 1.00 0.00 C ATOM 582 O SER A 39 6.914 1.403 4.721 1.00 0.00 O ATOM 583 CB SER A 39 9.779 0.633 3.333 1.00 0.00 C ATOM 584 OG SER A 39 10.306 -0.682 3.357 1.00 0.00 O ATOM 0 H SER A 39 8.136 2.713 2.775 1.00 0.00 H new ATOM 0 HA SER A 39 8.129 -0.202 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.352 1.245 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.884 1.088 4.318 1.00 0.00 H new ATOM 0 HG SER A 39 10.044 -1.124 4.191 1.00 0.00 H new ATOM 590 N TRP A 40 7.250 -0.816 4.559 1.00 0.00 N ATOM 591 CA TRP A 40 6.430 -1.135 5.723 1.00 0.00 C ATOM 592 C TRP A 40 7.199 -2.011 6.706 1.00 0.00 C ATOM 593 O TRP A 40 7.799 -3.015 6.320 1.00 0.00 O ATOM 594 CB TRP A 40 5.145 -1.841 5.288 1.00 0.00 C ATOM 595 CG TRP A 40 5.380 -2.956 4.314 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.651 -4.261 4.612 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.366 -2.863 2.886 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.807 -4.985 3.455 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.636 -4.151 2.382 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.149 -1.819 1.983 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.696 -4.418 1.017 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.210 -2.086 0.629 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.480 -3.377 0.156 1.00 0.00 C ATOM 0 H TRP A 40 7.665 -1.627 4.100 1.00 0.00 H new ATOM 0 HA TRP A 40 6.172 -0.201 6.223 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.641 -2.238 6.169 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.472 -1.111 4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.731 -4.665 5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.016 -5.982 3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.937 -0.821 2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.906 -5.412 0.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.047 -1.286 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.518 -3.554 -0.909 1.00 0.00 H new ATOM 614 N TYR A 41 7.176 -1.626 7.977 1.00 0.00 N ATOM 615 CA TYR A 41 7.873 -2.376 9.015 1.00 0.00 C ATOM 616 C TYR A 41 6.903 -2.836 10.099 1.00 0.00 C ATOM 617 O TYR A 41 5.692 -2.645 9.988 1.00 0.00 O ATOM 618 CB TYR A 41 8.980 -1.521 9.635 1.00 0.00 C ATOM 619 CG TYR A 41 9.726 -0.673 8.629 1.00 0.00 C ATOM 620 CD1 TYR A 41 9.079 0.338 7.929 1.00 0.00 C ATOM 621 CD2 TYR A 41 11.076 -0.884 8.378 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.756 1.115 7.009 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.761 -0.112 7.460 1.00 0.00 C ATOM 624 CZ TYR A 41 11.097 0.887 6.778 1.00 0.00 C ATOM 625 OH TYR A 41 11.775 1.658 5.862 1.00 0.00 O ATOM 0 H TYR A 41 6.682 -0.799 8.313 1.00 0.00 H new ATOM 0 HA TYR A 41 8.319 -3.257 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.544 -0.871 10.393 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.689 -2.173 10.144 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.029 0.519 8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.599 -1.665 8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.238 1.897 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.811 -0.289 7.277 1.00 0.00 H new ATOM 0 HH TYR A 41 12.715 1.732 6.129 1.00 0.00 H new ATOM 635 N LYS A 42 7.445 -3.444 11.149 1.00 0.00 N ATOM 636 CA LYS A 42 6.631 -3.931 12.256 1.00 0.00 C ATOM 637 C LYS A 42 5.991 -2.771 13.012 1.00 0.00 C ATOM 638 O LYS A 42 4.790 -2.780 13.281 1.00 0.00 O ATOM 639 CB LYS A 42 7.482 -4.769 13.212 1.00 0.00 C ATOM 640 CG LYS A 42 7.512 -6.247 12.863 1.00 0.00 C ATOM 641 CD LYS A 42 6.386 -7.005 13.545 1.00 0.00 C ATOM 642 CE LYS A 42 5.125 -7.015 12.695 1.00 0.00 C ATOM 643 NZ LYS A 42 4.259 -8.187 13.001 1.00 0.00 N ATOM 0 H LYS A 42 8.445 -3.611 11.256 1.00 0.00 H new ATOM 0 HA LYS A 42 5.838 -4.555 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.501 -4.383 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.098 -4.651 14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.431 -6.368 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.470 -6.672 13.161 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.702 -8.030 13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.171 -6.548 14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.565 -6.095 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.398 -7.031 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.410 -8.157 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.784 -9.065 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.977 -8.158 14.002 1.00 0.00 H new ATOM 657 N ASP A 43 6.801 -1.774 13.351 1.00 0.00 N ATOM 658 CA ASP A 43 6.313 -0.605 14.074 1.00 0.00 C ATOM 659 C ASP A 43 6.920 0.676 13.510 1.00 0.00 C ATOM 660 O ASP A 43 7.636 0.645 12.509 1.00 0.00 O ATOM 661 CB ASP A 43 6.641 -0.726 15.563 1.00 0.00 C ATOM 662 CG ASP A 43 7.945 -1.460 15.811 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.093 -2.591 15.305 1.00 0.00 O ATOM 664 OD2 ASP A 43 8.815 -0.902 16.512 1.00 0.00 O ATOM 0 H ASP A 43 7.798 -1.752 13.137 1.00 0.00 H new ATOM 0 HA ASP A 43 5.231 -0.558 13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.699 0.270 16.001 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.830 -1.250 16.069 1.00 0.00 H new ATOM 669 N GLU A 44 6.627 1.799 14.157 1.00 0.00 N ATOM 670 CA GLU A 44 7.142 3.090 13.718 1.00 0.00 C ATOM 671 C GLU A 44 8.638 3.203 13.997 1.00 0.00 C ATOM 672 O GLU A 44 9.296 4.138 13.542 1.00 0.00 O ATOM 673 CB GLU A 44 6.395 4.228 14.416 1.00 0.00 C ATOM 674 CG GLU A 44 4.886 4.045 14.433 1.00 0.00 C ATOM 675 CD GLU A 44 4.218 4.816 15.554 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.566 4.574 16.729 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.346 5.659 15.258 1.00 0.00 O ATOM 0 H GLU A 44 6.036 1.841 14.987 1.00 0.00 H new ATOM 0 HA GLU A 44 6.983 3.168 12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.754 4.312 15.442 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.633 5.167 13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.474 4.370 13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.653 2.985 14.537 1.00 0.00 H new ATOM 684 N GLU A 45 9.167 2.243 14.750 1.00 0.00 N ATOM 685 CA GLU A 45 10.585 2.235 15.091 1.00 0.00 C ATOM 686 C GLU A 45 11.420 1.693 13.935 1.00 0.00 C ATOM 687 O GLU A 45 12.606 2.000 13.816 1.00 0.00 O ATOM 688 CB GLU A 45 10.825 1.393 16.347 1.00 0.00 C ATOM 689 CG GLU A 45 9.896 1.740 17.498 1.00 0.00 C ATOM 690 CD GLU A 45 9.779 0.617 18.511 1.00 0.00 C ATOM 691 OE1 GLU A 45 10.823 0.192 19.048 1.00 0.00 O ATOM 692 OE2 GLU A 45 8.644 0.164 18.767 1.00 0.00 O ATOM 0 H GLU A 45 8.636 1.462 15.135 1.00 0.00 H new ATOM 0 HA GLU A 45 10.891 3.263 15.287 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.702 0.339 16.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.857 1.525 16.671 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.261 2.638 17.997 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.907 1.974 17.104 1.00 0.00 H new ATOM 699 N GLU A 46 10.792 0.884 13.087 1.00 0.00 N ATOM 700 CA GLU A 46 11.478 0.298 11.941 1.00 0.00 C ATOM 701 C GLU A 46 12.641 -0.580 12.394 1.00 0.00 C ATOM 702 O GLU A 46 13.775 -0.409 11.945 1.00 0.00 O ATOM 703 CB GLU A 46 11.988 1.398 11.007 1.00 0.00 C ATOM 704 CG GLU A 46 10.914 2.386 10.586 1.00 0.00 C ATOM 705 CD GLU A 46 11.490 3.694 10.080 1.00 0.00 C ATOM 706 OE1 GLU A 46 12.605 3.674 9.517 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.826 4.738 10.246 1.00 0.00 O ATOM 0 H GLU A 46 9.810 0.620 13.172 1.00 0.00 H new ATOM 0 HA GLU A 46 10.764 -0.325 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.793 1.940 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.415 0.937 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.299 1.938 9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.258 2.586 11.433 1.00 0.00 H new ATOM 714 N LYS A 47 12.351 -1.520 13.287 1.00 0.00 N ATOM 715 CA LYS A 47 13.371 -2.427 13.801 1.00 0.00 C ATOM 716 C LYS A 47 13.814 -3.414 12.726 1.00 0.00 C ATOM 717 O LYS A 47 15.008 -3.644 12.537 1.00 0.00 O ATOM 718 CB LYS A 47 12.839 -3.188 15.018 1.00 0.00 C ATOM 719 CG LYS A 47 13.051 -2.457 16.333 1.00 0.00 C ATOM 720 CD LYS A 47 12.428 -3.210 17.496 1.00 0.00 C ATOM 721 CE LYS A 47 10.921 -3.013 17.546 1.00 0.00 C ATOM 722 NZ LYS A 47 10.275 -3.922 18.532 1.00 0.00 N ATOM 0 H LYS A 47 11.418 -1.674 13.670 1.00 0.00 H new ATOM 0 HA LYS A 47 14.233 -1.831 14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.773 -3.373 14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.328 -4.161 15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.119 -2.329 16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.617 -1.459 16.270 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.654 -4.272 17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.872 -2.868 18.431 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.699 -1.978 17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.499 -3.191 16.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.248 -3.757 18.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.466 -4.910 18.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.659 -3.735 19.480 1.00 0.00 H new ATOM 736 N GLU A 48 12.845 -3.992 12.024 1.00 0.00 N ATOM 737 CA GLU A 48 13.137 -4.953 10.967 1.00 0.00 C ATOM 738 C GLU A 48 12.223 -4.735 9.764 1.00 0.00 C ATOM 739 O GLU A 48 11.040 -5.071 9.800 1.00 0.00 O ATOM 740 CB GLU A 48 12.978 -6.383 11.489 1.00 0.00 C ATOM 741 CG GLU A 48 14.234 -6.936 12.141 1.00 0.00 C ATOM 742 CD GLU A 48 15.272 -7.377 11.127 1.00 0.00 C ATOM 743 OE1 GLU A 48 15.890 -6.499 10.489 1.00 0.00 O ATOM 744 OE2 GLU A 48 15.466 -8.601 10.972 1.00 0.00 O ATOM 0 H GLU A 48 11.851 -3.812 12.168 1.00 0.00 H new ATOM 0 HA GLU A 48 14.169 -4.802 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.162 -6.408 12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.692 -7.033 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.667 -6.175 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.968 -7.782 12.774 1.00 0.00 H new ATOM 751 N LYS A 49 12.781 -4.168 8.700 1.00 0.00 N ATOM 752 CA LYS A 49 12.019 -3.904 7.485 1.00 0.00 C ATOM 753 C LYS A 49 11.458 -5.198 6.903 1.00 0.00 C ATOM 754 O LYS A 49 12.151 -6.213 6.836 1.00 0.00 O ATOM 755 CB LYS A 49 12.901 -3.206 6.447 1.00 0.00 C ATOM 756 CG LYS A 49 12.115 -2.540 5.331 1.00 0.00 C ATOM 757 CD LYS A 49 13.029 -2.047 4.222 1.00 0.00 C ATOM 758 CE LYS A 49 13.736 -0.759 4.614 1.00 0.00 C ATOM 759 NZ LYS A 49 14.772 -0.370 3.618 1.00 0.00 N ATOM 0 H LYS A 49 13.759 -3.882 8.654 1.00 0.00 H new ATOM 0 HA LYS A 49 11.186 -3.251 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.512 -2.455 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.584 -3.936 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.393 -3.247 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.547 -1.702 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.769 -2.814 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.447 -1.882 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.004 0.043 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.201 -0.883 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.231 0.513 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.485 -1.124 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.325 -0.227 2.690 1.00 0.00 H new ATOM 773 N LYS A 50 10.198 -5.154 6.482 1.00 0.00 N ATOM 774 CA LYS A 50 9.544 -6.321 5.903 1.00 0.00 C ATOM 775 C LYS A 50 9.818 -6.411 4.405 1.00 0.00 C ATOM 776 O LYS A 50 10.394 -7.389 3.927 1.00 0.00 O ATOM 777 CB LYS A 50 8.035 -6.262 6.153 1.00 0.00 C ATOM 778 CG LYS A 50 7.649 -6.509 7.601 1.00 0.00 C ATOM 779 CD LYS A 50 8.223 -7.819 8.115 1.00 0.00 C ATOM 780 CE LYS A 50 7.364 -8.405 9.226 1.00 0.00 C ATOM 781 NZ LYS A 50 8.033 -9.555 9.895 1.00 0.00 N ATOM 0 H LYS A 50 9.610 -4.322 6.531 1.00 0.00 H new ATOM 0 HA LYS A 50 9.952 -7.210 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.663 -5.284 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.541 -7.002 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.007 -5.686 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.563 -6.526 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.295 -8.533 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.235 -7.654 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.147 -7.632 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.409 -8.730 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.416 -9.927 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.218 -10.303 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.933 -9.239 10.311 1.00 0.00 H new ATOM 795 N TYR A 51 9.404 -5.385 3.670 1.00 0.00 N ATOM 796 CA TYR A 51 9.604 -5.350 2.226 1.00 0.00 C ATOM 797 C TYR A 51 9.502 -3.922 1.697 1.00 0.00 C ATOM 798 O TYR A 51 8.543 -3.208 1.988 1.00 0.00 O ATOM 799 CB TYR A 51 8.577 -6.240 1.525 1.00 0.00 C ATOM 800 CG TYR A 51 8.851 -6.437 0.051 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.722 -5.385 -0.846 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.239 -7.676 -0.444 1.00 0.00 C ATOM 803 CE1 TYR A 51 8.971 -5.560 -2.194 1.00 0.00 C ATOM 804 CE2 TYR A 51 9.492 -7.861 -1.789 1.00 0.00 C ATOM 805 CZ TYR A 51 9.356 -6.800 -2.660 1.00 0.00 C ATOM 806 OH TYR A 51 9.606 -6.980 -4.001 1.00 0.00 O ATOM 0 H TYR A 51 8.928 -4.567 4.050 1.00 0.00 H new ATOM 0 HA TYR A 51 10.605 -5.727 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.557 -7.213 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.586 -5.802 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.422 -4.413 -0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.345 -8.509 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.865 -4.731 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.794 -8.830 -2.157 1.00 0.00 H new ATOM 0 HH TYR A 51 9.868 -7.910 -4.163 1.00 0.00 H new ATOM 816 N MET A 52 10.498 -3.515 0.917 1.00 0.00 N ATOM 817 CA MET A 52 10.521 -2.173 0.345 1.00 0.00 C ATOM 818 C MET A 52 9.817 -2.148 -1.008 1.00 0.00 C ATOM 819 O MET A 52 9.902 -3.103 -1.782 1.00 0.00 O ATOM 820 CB MET A 52 11.962 -1.685 0.193 1.00 0.00 C ATOM 821 CG MET A 52 12.087 -0.402 -0.613 1.00 0.00 C ATOM 822 SD MET A 52 11.948 1.077 0.408 1.00 0.00 S ATOM 823 CE MET A 52 10.226 1.502 0.156 1.00 0.00 C ATOM 0 H MET A 52 11.299 -4.094 0.666 1.00 0.00 H new ATOM 0 HA MET A 52 9.990 -1.506 1.024 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.389 -1.526 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.552 -2.465 -0.287 1.00 0.00 H new ATOM 0 HG2 MET A 52 13.047 -0.394 -1.129 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.313 -0.383 -1.380 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.025 2.481 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.010 1.529 -0.912 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.593 0.755 0.635 1.00 0.00 H new ATOM 833 N LEU A 53 9.122 -1.051 -1.288 1.00 0.00 N ATOM 834 CA LEU A 53 8.403 -0.901 -2.548 1.00 0.00 C ATOM 835 C LEU A 53 8.457 0.543 -3.037 1.00 0.00 C ATOM 836 O LEU A 53 7.939 1.460 -2.400 1.00 0.00 O ATOM 837 CB LEU A 53 6.948 -1.342 -2.383 1.00 0.00 C ATOM 838 CG LEU A 53 6.278 -1.926 -3.628 1.00 0.00 C ATOM 839 CD1 LEU A 53 6.772 -3.342 -3.885 1.00 0.00 C ATOM 840 CD2 LEU A 53 4.764 -1.907 -3.478 1.00 0.00 C ATOM 0 H LEU A 53 9.041 -0.252 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 53 8.886 -1.535 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.903 -2.086 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.365 -0.484 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 53 6.546 -1.308 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.285 -3.742 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.851 -3.329 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.534 -3.971 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.304 -2.326 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.477 -2.501 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.425 -0.880 -3.343 1.00 0.00 H new ATOM 852 N PRO A 54 9.096 0.751 -4.198 1.00 0.00 N ATOM 853 CA PRO A 54 9.229 2.081 -4.801 1.00 0.00 C ATOM 854 C PRO A 54 7.901 2.617 -5.323 1.00 0.00 C ATOM 855 O PRO A 54 6.868 1.952 -5.222 1.00 0.00 O ATOM 856 CB PRO A 54 10.205 1.849 -5.958 1.00 0.00 C ATOM 857 CG PRO A 54 10.047 0.409 -6.304 1.00 0.00 C ATOM 858 CD PRO A 54 9.736 -0.296 -5.012 1.00 0.00 C ATOM 0 HA PRO A 54 9.570 2.824 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.970 2.489 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.230 2.075 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.245 0.268 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.957 0.014 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.072 -1.146 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.638 -0.680 -4.536 1.00 0.00 H new ATOM 866 N LEU A 55 7.933 3.822 -5.882 1.00 0.00 N ATOM 867 CA LEU A 55 6.731 4.447 -6.421 1.00 0.00 C ATOM 868 C LEU A 55 6.921 4.819 -7.888 1.00 0.00 C ATOM 869 O LEU A 55 6.311 5.766 -8.383 1.00 0.00 O ATOM 870 CB LEU A 55 6.373 5.694 -5.610 1.00 0.00 C ATOM 871 CG LEU A 55 6.532 5.577 -4.093 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.410 6.943 -3.437 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.500 4.614 -3.522 1.00 0.00 C ATOM 0 H LEU A 55 8.778 4.385 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 55 5.915 3.728 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.994 6.520 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.338 5.960 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 55 7.525 5.182 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.526 6.840 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.186 7.603 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.430 7.367 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.627 4.543 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.498 4.980 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.635 3.629 -3.969 1.00 0.00 H new ATOM 885 N ASP A 56 7.769 4.064 -8.578 1.00 0.00 N ATOM 886 CA ASP A 56 8.038 4.312 -9.990 1.00 0.00 C ATOM 887 C ASP A 56 7.355 3.265 -10.865 1.00 0.00 C ATOM 888 O ASP A 56 6.723 3.596 -11.866 1.00 0.00 O ATOM 889 CB ASP A 56 9.545 4.310 -10.253 1.00 0.00 C ATOM 890 CG ASP A 56 9.890 4.803 -11.644 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.579 5.971 -11.953 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.472 4.019 -12.424 1.00 0.00 O ATOM 0 H ASP A 56 8.282 3.276 -8.183 1.00 0.00 H new ATOM 0 HA ASP A 56 7.634 5.292 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.041 4.940 -9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.932 3.300 -10.122 1.00 0.00 H new ATOM 897 N ASN A 57 7.489 2.000 -10.478 1.00 0.00 N ATOM 898 CA ASN A 57 6.887 0.904 -11.228 1.00 0.00 C ATOM 899 C ASN A 57 5.566 0.473 -10.596 1.00 0.00 C ATOM 900 O ASN A 57 5.130 -0.667 -10.759 1.00 0.00 O ATOM 901 CB ASN A 57 7.846 -0.286 -11.292 1.00 0.00 C ATOM 902 CG ASN A 57 9.180 0.080 -11.913 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.235 0.662 -12.997 1.00 0.00 O ATOM 904 ND2 ASN A 57 10.265 -0.260 -11.227 1.00 0.00 N ATOM 0 H ASN A 57 8.009 1.709 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 57 6.688 1.256 -12.240 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.010 -0.671 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.387 -1.088 -11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.191 -0.040 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.173 -0.741 -10.332 1.00 0.00 H new ATOM 911 N LEU A 58 4.934 1.393 -9.876 1.00 0.00 N ATOM 912 CA LEU A 58 3.662 1.110 -9.220 1.00 0.00 C ATOM 913 C LEU A 58 2.529 1.902 -9.864 1.00 0.00 C ATOM 914 O LEU A 58 2.759 2.741 -10.734 1.00 0.00 O ATOM 915 CB LEU A 58 3.750 1.444 -7.730 1.00 0.00 C ATOM 916 CG LEU A 58 4.880 0.765 -6.955 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.540 0.686 -5.475 1.00 0.00 C ATOM 918 CD2 LEU A 58 5.153 -0.622 -7.517 1.00 0.00 C ATOM 0 H LEU A 58 5.281 2.341 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 58 3.449 0.047 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.863 2.523 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.803 1.176 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 58 5.783 1.365 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.356 0.200 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.396 1.692 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.624 0.110 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.960 -1.091 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.253 -1.231 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.442 -0.540 -8.565 1.00 0.00 H new ATOM 930 N LYS A 59 1.303 1.629 -9.430 1.00 0.00 N ATOM 931 CA LYS A 59 0.132 2.318 -9.961 1.00 0.00 C ATOM 932 C LYS A 59 -1.109 1.997 -9.134 1.00 0.00 C ATOM 933 O LYS A 59 -1.259 0.883 -8.630 1.00 0.00 O ATOM 934 CB LYS A 59 -0.099 1.922 -11.421 1.00 0.00 C ATOM 935 CG LYS A 59 -1.064 2.838 -12.154 1.00 0.00 C ATOM 936 CD LYS A 59 -0.759 2.894 -13.642 1.00 0.00 C ATOM 937 CE LYS A 59 -1.974 3.337 -14.443 1.00 0.00 C ATOM 938 NZ LYS A 59 -2.115 4.819 -14.462 1.00 0.00 N ATOM 0 H LYS A 59 1.094 0.935 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 59 0.316 3.391 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.857 1.922 -11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.482 0.902 -11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.085 2.487 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.006 3.841 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.066 3.583 -13.820 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.434 1.912 -13.985 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.890 2.967 -15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.873 2.892 -14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.954 5.081 -15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.221 5.170 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.269 5.243 -14.893 1.00 0.00 H new ATOM 952 N ILE A 60 -1.995 2.978 -9.001 1.00 0.00 N ATOM 953 CA ILE A 60 -3.224 2.798 -8.238 1.00 0.00 C ATOM 954 C ILE A 60 -4.445 2.805 -9.152 1.00 0.00 C ATOM 955 O ILE A 60 -4.524 3.596 -10.092 1.00 0.00 O ATOM 956 CB ILE A 60 -3.389 3.895 -7.170 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.167 3.931 -6.251 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.658 3.663 -6.364 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.185 5.078 -5.265 1.00 0.00 C ATOM 0 H ILE A 60 -1.885 3.905 -9.411 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.150 1.829 -7.744 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.471 4.859 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.108 2.991 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.266 4.001 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.761 4.447 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.521 3.683 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.603 2.693 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.288 5.040 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.212 6.023 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.067 4.998 -4.630 1.00 0.00 H new ATOM 971 N ARG A 61 -5.395 1.921 -8.868 1.00 0.00 N ATOM 972 CA ARG A 61 -6.613 1.826 -9.664 1.00 0.00 C ATOM 973 C ARG A 61 -7.837 1.664 -8.767 1.00 0.00 C ATOM 974 O ARG A 61 -7.717 1.318 -7.592 1.00 0.00 O ATOM 975 CB ARG A 61 -6.521 0.649 -10.637 1.00 0.00 C ATOM 976 CG ARG A 61 -5.910 -0.601 -10.026 1.00 0.00 C ATOM 977 CD ARG A 61 -5.661 -1.671 -11.077 1.00 0.00 C ATOM 978 NE ARG A 61 -6.903 -2.286 -11.537 1.00 0.00 N ATOM 979 CZ ARG A 61 -6.950 -3.258 -12.441 1.00 0.00 C ATOM 980 NH1 ARG A 61 -5.831 -3.724 -12.978 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.119 -3.767 -12.809 1.00 0.00 N ATOM 0 H ARG A 61 -5.345 1.260 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.720 2.750 -10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.520 0.413 -11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.927 0.948 -11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.971 -0.346 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.575 -0.993 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.139 -1.230 -11.926 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.007 -2.439 -10.664 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.782 -1.951 -11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.930 -3.336 -12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.871 -4.471 -13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.982 -3.412 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.154 -4.513 -13.503 1.00 0.00 H new ATOM 995 N ASP A 62 -9.014 1.917 -9.330 1.00 0.00 N ATOM 996 CA ASP A 62 -10.260 1.799 -8.582 1.00 0.00 C ATOM 997 C ASP A 62 -10.709 0.344 -8.500 1.00 0.00 C ATOM 998 O ASP A 62 -10.962 -0.297 -9.520 1.00 0.00 O ATOM 999 CB ASP A 62 -11.353 2.647 -9.235 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.677 2.190 -10.644 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -10.769 1.659 -11.318 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -12.837 2.363 -11.073 1.00 0.00 O ATOM 0 H ASP A 62 -9.131 2.205 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.084 2.163 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.256 2.603 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.035 3.689 -9.258 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.926 -1.160 2.039 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.091 -0.248 2.811 1.00 0.00 C ATOM 1131 C LYS A 71 -14.159 0.541 1.898 1.00 0.00 C ATOM 1132 O LYS A 71 -14.158 0.351 0.681 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.272 -1.024 3.846 1.00 0.00 C ATOM 1134 CG LYS A 71 -15.105 -1.578 4.989 1.00 0.00 C ATOM 1135 CD LYS A 71 -15.619 -2.973 4.680 1.00 0.00 C ATOM 1136 CE LYS A 71 -14.609 -4.040 5.073 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.607 -4.279 3.998 1.00 0.00 N ATOM 0 HA LYS A 71 -15.746 0.454 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.760 -1.847 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.502 -0.369 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.505 -1.604 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.947 -0.914 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.555 -3.143 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.839 -3.053 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.097 -3.736 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.132 -4.970 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.260 -5.258 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.050 -4.125 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.810 -3.621 4.114 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.365 1.426 2.492 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.425 2.243 1.731 1.00 0.00 C ATOM 1153 C HIS A 72 -11.067 1.556 1.629 1.00 0.00 C ATOM 1154 O HIS A 72 -10.236 1.663 2.531 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.267 3.617 2.384 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.519 4.120 3.033 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.005 3.933 4.283 1.00 0.00 N flip ATOM 1158 CD2 HIS A 72 -14.437 4.917 2.382 1.00 0.00 C flip ATOM 1159 CE1 HIS A 72 -15.194 4.615 4.363 1.00 0.00 C flip ATOM 1160 NE2 HIS A 72 -15.432 5.200 3.203 1.00 0.00 N flip ATOM 0 H HIS A 72 -13.353 1.596 3.498 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.824 2.371 0.725 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.476 3.566 3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.946 4.334 1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.355 5.257 1.360 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.831 4.665 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.246 5.773 2.979 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.849 0.849 0.524 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.592 0.144 0.303 1.00 0.00 C ATOM 1171 C VAL A 73 -9.150 0.251 -1.152 1.00 0.00 C ATOM 1172 O VAL A 73 -9.953 0.078 -2.070 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.707 -1.343 0.686 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.052 -1.904 0.250 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.565 -2.140 0.075 1.00 0.00 C ATOM 0 H VAL A 73 -11.527 0.750 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.847 0.619 0.941 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.639 -1.427 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.115 -2.956 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.853 -1.350 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.153 -1.809 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.662 -3.189 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.599 -2.051 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.614 -1.753 0.441 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.869 0.535 -1.357 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.319 0.665 -2.701 1.00 0.00 C ATOM 1187 C PHE A 74 -6.318 -0.450 -2.990 1.00 0.00 C ATOM 1188 O PHE A 74 -5.749 -1.040 -2.072 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.645 2.028 -2.870 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.525 2.268 -1.898 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.791 2.489 -0.557 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.208 2.271 -2.326 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.762 2.710 0.340 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.175 2.492 -1.435 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.452 2.710 -0.100 1.00 0.00 C ATOM 0 H PHE A 74 -7.191 0.680 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.141 0.584 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.258 2.109 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.393 2.812 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.813 2.489 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.985 2.099 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.982 2.882 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.152 2.494 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.646 2.880 0.599 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.109 -0.732 -4.272 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.176 -1.774 -4.682 1.00 0.00 C ATOM 1207 C ALA A 75 -3.990 -1.183 -5.436 1.00 0.00 C ATOM 1208 O ALA A 75 -4.141 -0.227 -6.198 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.886 -2.810 -5.540 1.00 0.00 C ATOM 0 H ALA A 75 -6.573 -0.253 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.796 -2.261 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.177 -3.582 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.696 -3.263 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.294 -2.328 -6.429 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.811 -1.756 -5.219 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.600 -1.285 -5.879 1.00 0.00 C ATOM 1217 C ILE A 76 -0.997 -2.373 -6.762 1.00 0.00 C ATOM 1218 O ILE A 76 -0.679 -3.465 -6.290 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.544 -0.825 -4.857 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.033 0.417 -4.109 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.780 -0.544 -5.553 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.104 0.861 -3.002 1.00 0.00 C ATOM 0 H ILE A 76 -2.669 -2.547 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.888 -0.435 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.389 -1.624 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.155 1.234 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.017 0.213 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.516 -0.220 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.133 -1.451 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.641 0.240 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.514 1.746 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.001 0.060 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.874 1.098 -3.421 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.840 -2.066 -8.045 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.274 -3.017 -8.995 1.00 0.00 C ATOM 1236 C PHE A 77 0.988 -2.454 -9.641 1.00 0.00 C ATOM 1237 O PHE A 77 1.153 -1.240 -9.752 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.301 -3.366 -10.074 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.637 -2.213 -10.977 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -0.889 -1.968 -12.117 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.701 -1.375 -10.685 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.195 -0.907 -12.948 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.012 -0.313 -11.513 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.259 -0.080 -12.647 1.00 0.00 C ATOM 0 H PHE A 77 -1.097 -1.166 -8.451 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.009 -3.923 -8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.918 -4.189 -10.677 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.214 -3.720 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.057 -2.613 -12.359 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.294 -1.554 -9.800 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.602 -0.725 -13.832 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.843 0.334 -11.273 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.502 0.747 -13.297 1.00 0.00 H new ATOM 1254 N ASN A 78 1.877 -3.347 -10.065 1.00 0.00 N ATOM 1255 CA ASN A 78 3.126 -2.940 -10.700 1.00 0.00 C ATOM 1256 C ASN A 78 2.950 -2.802 -12.209 1.00 0.00 C ATOM 1257 O ASN A 78 2.722 -3.788 -12.912 1.00 0.00 O ATOM 1258 CB ASN A 78 4.231 -3.953 -10.394 1.00 0.00 C ATOM 1259 CG ASN A 78 5.614 -3.333 -10.442 1.00 0.00 C ATOM 1260 OD1 ASN A 78 6.223 -3.335 -11.622 1.00 0.00 O flip ATOM 1261 ND2 ASN A 78 6.128 -2.857 -9.430 1.00 0.00 N flip ATOM 0 H ASN A 78 1.756 -4.356 -9.981 1.00 0.00 H new ATOM 0 HA ASN A 78 3.411 -1.969 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.063 -4.383 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.178 -4.772 -11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.623 -2.877 -8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.059 -2.442 -9.477 1.00 0.00 H new ATOM 1268 N THR A 79 3.057 -1.572 -12.702 1.00 0.00 N ATOM 1269 CA THR A 79 2.910 -1.305 -14.127 1.00 0.00 C ATOM 1270 C THR A 79 3.571 -2.395 -14.963 1.00 0.00 C ATOM 1271 O THR A 79 2.974 -2.914 -15.906 1.00 0.00 O ATOM 1272 CB THR A 79 3.517 0.058 -14.509 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.873 0.135 -14.053 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.710 1.198 -13.907 1.00 0.00 C ATOM 0 H THR A 79 3.245 -0.745 -12.135 1.00 0.00 H new ATOM 0 HA THR A 79 1.840 -1.290 -14.336 1.00 0.00 H new ATOM 0 HB THR A 79 3.492 0.150 -15.595 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.253 1.004 -14.301 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.158 2.150 -14.191 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.686 1.154 -14.278 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.707 1.108 -12.821 1.00 0.00 H new ATOM 1282 N GLU A 80 4.806 -2.738 -14.610 1.00 0.00 N ATOM 1283 CA GLU A 80 5.547 -3.768 -15.329 1.00 0.00 C ATOM 1284 C GLU A 80 4.842 -5.117 -15.226 1.00 0.00 C ATOM 1285 O GLU A 80 3.761 -5.221 -14.647 1.00 0.00 O ATOM 1286 CB GLU A 80 6.970 -3.880 -14.779 1.00 0.00 C ATOM 1287 CG GLU A 80 7.697 -2.548 -14.695 1.00 0.00 C ATOM 1288 CD GLU A 80 8.119 -2.027 -16.055 1.00 0.00 C ATOM 1289 OE1 GLU A 80 9.117 -2.539 -16.604 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.451 -1.106 -16.570 1.00 0.00 O ATOM 0 H GLU A 80 5.314 -2.318 -13.831 1.00 0.00 H new ATOM 0 HA GLU A 80 5.593 -3.481 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.932 -4.327 -13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.543 -4.558 -15.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.050 -1.815 -14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.578 -2.658 -14.063 1.00 0.00 H new ATOM 1352 N VAL A 84 3.679 -7.068 -7.228 1.00 0.00 N ATOM 1353 CA VAL A 84 4.011 -6.153 -6.143 1.00 0.00 C ATOM 1354 C VAL A 84 4.414 -6.915 -4.885 1.00 0.00 C ATOM 1355 O VAL A 84 5.306 -6.493 -4.150 1.00 0.00 O ATOM 1356 CB VAL A 84 2.828 -5.225 -5.810 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.563 -4.263 -6.959 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.584 -6.041 -5.490 1.00 0.00 C ATOM 0 HA VAL A 84 4.852 -5.550 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 84 3.087 -4.638 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.724 -3.615 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.450 -3.655 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.325 -4.829 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.758 -5.369 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.320 -6.655 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.781 -6.684 -4.632 1.00 0.00 H new ATOM 1368 N TYR A 85 3.751 -8.041 -4.645 1.00 0.00 N ATOM 1369 CA TYR A 85 4.038 -8.862 -3.475 1.00 0.00 C ATOM 1370 C TYR A 85 4.533 -10.245 -3.888 1.00 0.00 C ATOM 1371 O TYR A 85 4.716 -10.524 -5.073 1.00 0.00 O ATOM 1372 CB TYR A 85 2.791 -8.995 -2.600 1.00 0.00 C ATOM 1373 CG TYR A 85 3.098 -9.176 -1.130 1.00 0.00 C ATOM 1374 CD1 TYR A 85 3.922 -8.282 -0.457 1.00 0.00 C ATOM 1375 CD2 TYR A 85 2.567 -10.242 -0.415 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.206 -8.444 0.885 1.00 0.00 C ATOM 1377 CE2 TYR A 85 2.844 -10.411 0.927 1.00 0.00 C ATOM 1378 CZ TYR A 85 3.665 -9.510 1.573 1.00 0.00 C ATOM 1379 OH TYR A 85 3.945 -9.675 2.910 1.00 0.00 O ATOM 0 H TYR A 85 3.011 -8.406 -5.245 1.00 0.00 H new ATOM 0 HA TYR A 85 4.824 -8.370 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.172 -8.106 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.203 -9.845 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.348 -7.446 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.926 -10.951 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.848 -7.740 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.420 -11.244 1.468 1.00 0.00 H new ATOM 0 HH TYR A 85 3.485 -10.473 3.244 1.00 0.00 H new ATOM 1389 N LYS A 86 4.746 -11.109 -2.902 1.00 0.00 N ATOM 1390 CA LYS A 86 5.217 -12.464 -3.160 1.00 0.00 C ATOM 1391 C LYS A 86 4.332 -13.162 -4.188 1.00 0.00 C ATOM 1392 O LYS A 86 4.779 -13.485 -5.288 1.00 0.00 O ATOM 1393 CB LYS A 86 5.243 -13.273 -1.861 1.00 0.00 C ATOM 1394 CG LYS A 86 6.354 -12.862 -0.910 1.00 0.00 C ATOM 1395 CD LYS A 86 6.232 -13.569 0.429 1.00 0.00 C ATOM 1396 CE LYS A 86 6.803 -12.726 1.559 1.00 0.00 C ATOM 1397 NZ LYS A 86 8.256 -12.981 1.762 1.00 0.00 N ATOM 0 H LYS A 86 4.600 -10.895 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 86 6.228 -12.400 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.284 -13.163 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.356 -14.330 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.321 -13.093 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.323 -11.783 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.184 -13.789 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.755 -14.524 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.647 -11.670 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.264 -12.942 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.607 -12.388 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.403 -13.983 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.774 -12.750 0.890 1.00 0.00 H new ATOM 1411 N ASP A 87 3.075 -13.389 -3.822 1.00 0.00 N ATOM 1412 CA ASP A 87 2.126 -14.046 -4.714 1.00 0.00 C ATOM 1413 C ASP A 87 0.830 -13.247 -4.811 1.00 0.00 C ATOM 1414 O ASP A 87 -0.263 -13.801 -4.689 1.00 0.00 O ATOM 1415 CB ASP A 87 1.830 -15.464 -4.223 1.00 0.00 C ATOM 1416 CG ASP A 87 2.856 -16.470 -4.707 1.00 0.00 C ATOM 1417 OD1 ASP A 87 4.067 -16.200 -4.559 1.00 0.00 O ATOM 1418 OD2 ASP A 87 2.449 -17.526 -5.235 1.00 0.00 O ATOM 0 H ASP A 87 2.690 -13.128 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 87 2.574 -14.100 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.805 -15.470 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.840 -15.765 -4.566 1.00 0.00 H new ATOM 1423 N LEU A 88 0.960 -11.944 -5.032 1.00 0.00 N ATOM 1424 CA LEU A 88 -0.201 -11.068 -5.145 1.00 0.00 C ATOM 1425 C LEU A 88 0.013 -10.016 -6.229 1.00 0.00 C ATOM 1426 O LEU A 88 0.760 -9.056 -6.037 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.483 -10.385 -3.805 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.455 -11.290 -2.572 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.492 -10.459 -1.299 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.618 -12.271 -2.605 1.00 0.00 C ATOM 0 H LEU A 88 1.857 -11.471 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.060 -11.679 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.249 -9.590 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.463 -9.910 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 88 0.475 -11.859 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.471 -11.120 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.374 -9.797 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.405 -9.864 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.583 -12.907 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.558 -11.720 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.547 -12.889 -3.500 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.648 -10.203 -7.366 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.530 -9.270 -8.480 1.00 0.00 C ATOM 1444 C ARG A 89 -0.854 -7.847 -8.035 1.00 0.00 C ATOM 1445 O ARG A 89 -0.471 -6.879 -8.690 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.462 -9.683 -9.621 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.160 -8.986 -10.937 1.00 0.00 C ATOM 1448 CD ARG A 89 -2.228 -9.279 -11.980 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.859 -8.770 -13.298 1.00 0.00 N ATOM 1450 CZ ARG A 89 -2.562 -9.007 -14.400 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -3.665 -9.741 -14.342 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -2.162 -8.509 -15.564 1.00 0.00 N ATOM 0 H ARG A 89 -1.271 -10.992 -7.540 1.00 0.00 H new ATOM 0 HA ARG A 89 0.501 -9.296 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.390 -10.761 -9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.491 -9.468 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.095 -7.910 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.188 -9.312 -11.308 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.391 -10.355 -12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.171 -8.830 -11.669 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.016 -8.202 -13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.976 -10.125 -13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.203 -9.921 -15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.314 -7.944 -15.613 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.702 -8.692 -16.410 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.563 -7.730 -6.916 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.940 -6.425 -6.385 1.00 0.00 C ATOM 1468 C GLN A 90 -2.178 -6.499 -4.880 1.00 0.00 C ATOM 1469 O GLN A 90 -2.813 -7.432 -4.387 1.00 0.00 O ATOM 1470 CB GLN A 90 -3.197 -5.909 -7.087 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.400 -6.825 -6.932 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.547 -6.441 -7.846 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.400 -6.412 -9.068 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.700 -6.142 -7.257 1.00 0.00 N ATOM 0 H GLN A 90 -1.887 -8.522 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.119 -5.733 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.447 -4.925 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.983 -5.780 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.100 -7.851 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.741 -6.799 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.778 -6.179 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.507 -5.876 -7.821 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.665 -5.511 -4.156 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.822 -5.464 -2.707 1.00 0.00 C ATOM 1485 C ILE A 91 -2.979 -4.554 -2.309 1.00 0.00 C ATOM 1486 O ILE A 91 -3.039 -3.395 -2.718 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.536 -4.972 -2.017 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.614 -5.946 -2.278 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.768 -4.805 -0.523 1.00 0.00 C ATOM 1490 CD1 ILE A 91 1.979 -5.297 -2.230 1.00 0.00 C ATOM 0 H ILE A 91 -1.137 -4.732 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.034 -6.482 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.266 -4.002 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.575 -6.747 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.474 -6.407 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.150 -4.457 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.561 -4.076 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.059 -5.762 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.746 -6.047 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.037 -4.515 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.140 -4.860 -1.244 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.896 -5.088 -1.508 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.052 -4.324 -1.054 1.00 0.00 C ATOM 1504 C GLU A 92 -4.801 -3.729 0.329 1.00 0.00 C ATOM 1505 O GLU A 92 -4.479 -4.446 1.277 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.298 -5.211 -1.021 1.00 0.00 C ATOM 1507 CG GLU A 92 -7.031 -5.279 -2.350 1.00 0.00 C ATOM 1508 CD GLU A 92 -6.530 -6.403 -3.236 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -5.380 -6.312 -3.715 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -7.288 -7.372 -3.452 1.00 0.00 O ATOM 0 H GLU A 92 -3.861 -6.046 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.215 -3.508 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.009 -6.219 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.980 -4.837 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.097 -5.414 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.915 -4.330 -2.873 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.950 -2.413 0.436 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.740 -1.720 1.702 1.00 0.00 C ATOM 1519 C LEU A 93 -6.036 -1.087 2.198 1.00 0.00 C ATOM 1520 O LEU A 93 -6.542 -0.137 1.601 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.661 -0.647 1.546 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.258 -1.149 1.205 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.440 -0.046 0.553 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.559 -1.668 2.453 1.00 0.00 C ATOM 0 H LEU A 93 -5.215 -1.805 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.411 -2.453 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.976 0.046 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.606 -0.078 2.474 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.350 -1.972 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.444 -0.422 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.932 0.278 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.356 0.798 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.562 -2.021 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.479 -0.865 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.135 -2.490 2.877 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.566 -1.618 3.295 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.801 -1.102 3.874 1.00 0.00 C ATOM 1538 C ALA A 94 -7.509 -0.069 4.957 1.00 0.00 C ATOM 1539 O ALA A 94 -6.517 -0.175 5.678 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.635 -2.242 4.440 1.00 0.00 C ATOM 0 H ALA A 94 -6.160 -2.405 3.801 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.367 -0.611 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.554 -1.842 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.882 -2.943 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.068 -2.758 5.214 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.379 0.929 5.065 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.213 1.983 6.059 1.00 0.00 C ATOM 1548 C CYS A 95 -9.439 2.075 6.963 1.00 0.00 C ATOM 1549 O CYS A 95 -10.415 1.348 6.778 1.00 0.00 O ATOM 1550 CB CYS A 95 -7.970 3.328 5.372 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.399 3.428 4.482 1.00 0.00 S ATOM 0 H CYS A 95 -9.206 1.030 4.477 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.347 1.736 6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.784 3.519 4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.001 4.118 6.122 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.456 4.388 3.607 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.379 2.971 7.942 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.484 3.158 8.876 1.00 0.00 C ATOM 1559 C ASP A 96 -11.674 3.816 8.185 1.00 0.00 C ATOM 1560 O ASP A 96 -12.806 3.343 8.292 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.036 4.007 10.066 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.180 4.786 10.685 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.852 4.240 11.584 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.402 5.943 10.270 1.00 0.00 O ATOM 0 H ASP A 96 -8.577 3.579 8.110 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.793 2.177 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.589 3.361 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.261 4.701 9.742 1.00 0.00 H new ATOM 1569 N SER A 97 -11.411 4.909 7.477 1.00 0.00 N ATOM 1570 CA SER A 97 -12.461 5.636 6.773 1.00 0.00 C ATOM 1571 C SER A 97 -11.909 6.311 5.521 1.00 0.00 C ATOM 1572 O SER A 97 -10.696 6.372 5.320 1.00 0.00 O ATOM 1573 CB SER A 97 -13.093 6.681 7.694 1.00 0.00 C ATOM 1574 OG SER A 97 -14.069 6.094 8.537 1.00 0.00 O ATOM 0 H SER A 97 -10.479 5.311 7.375 1.00 0.00 H new ATOM 0 HA SER A 97 -13.225 4.920 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.319 7.151 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.551 7.468 7.095 1.00 0.00 H new ATOM 0 HG SER A 97 -13.942 5.122 8.557 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.808 6.818 4.684 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.411 7.488 3.452 1.00 0.00 C ATOM 1582 C GLN A 98 -11.378 8.574 3.731 1.00 0.00 C ATOM 1583 O GLN A 98 -10.358 8.664 3.049 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.633 8.096 2.761 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.322 8.715 1.407 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.654 7.739 0.459 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -11.340 7.863 0.310 1.00 0.00 O flip ATOM 1588 NE2 GLN A 98 -13.310 6.882 -0.132 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.816 6.778 4.837 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.961 6.745 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.390 7.322 2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.064 8.859 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.246 9.078 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.674 9.580 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.318 6.822 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.846 6.231 -0.766 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.650 9.398 4.739 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.743 10.479 5.107 1.00 0.00 C ATOM 1599 C GLU A 99 -9.289 10.030 4.998 1.00 0.00 C ATOM 1600 O GLU A 99 -8.453 10.730 4.425 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.035 10.956 6.532 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.333 9.826 7.503 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.731 10.329 8.878 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -11.487 11.519 9.167 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.285 9.532 9.664 1.00 0.00 O ATOM 0 H GLU A 99 -12.490 9.337 5.314 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.903 11.305 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.179 11.523 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.884 11.639 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.135 9.208 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -10.454 9.188 7.594 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.994 8.859 5.551 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.641 8.316 5.515 1.00 0.00 C ATOM 1614 C ASP A 100 -7.198 8.055 4.079 1.00 0.00 C ATOM 1615 O ASP A 100 -6.169 8.563 3.634 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.566 7.022 6.328 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.752 7.261 7.814 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.913 7.413 8.249 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.737 7.295 8.541 1.00 0.00 O ATOM 0 H ASP A 100 -9.673 8.267 6.030 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.969 9.052 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.331 6.330 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.601 6.544 6.158 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.981 7.258 3.359 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.669 6.929 1.973 1.00 0.00 C ATOM 1626 C VAL A 101 -7.391 8.187 1.159 1.00 0.00 C ATOM 1627 O VAL A 101 -6.308 8.347 0.595 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.818 6.145 1.311 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.532 5.927 -0.167 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.037 4.818 2.021 1.00 0.00 C ATOM 0 H VAL A 101 -8.836 6.828 3.712 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.775 6.306 1.988 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.732 6.732 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.354 5.372 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.430 6.892 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.607 5.361 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.852 4.278 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.126 4.222 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.290 5.001 3.065 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.375 9.078 1.102 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.235 10.324 0.358 1.00 0.00 C ATOM 1642 C ASP A 102 -6.833 10.902 0.523 1.00 0.00 C ATOM 1643 O ASP A 102 -6.181 11.265 -0.457 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.278 11.341 0.826 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.439 12.493 -0.147 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -10.176 12.331 -1.142 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -8.830 13.557 0.088 1.00 0.00 O ATOM 0 H ASP A 102 -9.278 8.960 1.562 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.397 10.108 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.238 10.840 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.989 11.731 1.802 1.00 0.00 H new ATOM 1652 N SER A 103 -6.375 10.985 1.768 1.00 0.00 N ATOM 1653 CA SER A 103 -5.052 11.523 2.061 1.00 0.00 C ATOM 1654 C SER A 103 -3.960 10.613 1.507 1.00 0.00 C ATOM 1655 O SER A 103 -3.007 11.078 0.882 1.00 0.00 O ATOM 1656 CB SER A 103 -4.872 11.695 3.571 1.00 0.00 C ATOM 1657 OG SER A 103 -3.966 12.746 3.860 1.00 0.00 O ATOM 0 H SER A 103 -6.901 10.687 2.590 1.00 0.00 H new ATOM 0 HA SER A 103 -4.967 12.497 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.836 11.904 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.505 10.765 4.005 1.00 0.00 H new ATOM 0 HG SER A 103 -3.869 12.837 4.831 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.107 9.314 1.741 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.133 8.337 1.266 1.00 0.00 C ATOM 1665 C TRP A 104 -2.916 8.473 -0.237 1.00 0.00 C ATOM 1666 O TRP A 104 -1.781 8.457 -0.714 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.598 6.919 1.601 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.120 6.438 2.938 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.887 5.938 3.951 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.767 6.412 3.405 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.092 5.604 5.021 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.788 5.884 4.711 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.540 6.782 2.848 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.629 5.719 5.465 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.609 6.618 3.598 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.558 6.090 4.895 1.00 0.00 C ATOM 0 H TRP A 104 -4.890 8.913 2.256 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.186 8.529 1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.687 6.887 1.579 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.243 6.236 0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.960 5.822 3.916 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.420 5.211 5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.491 7.189 1.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.666 5.312 6.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.562 6.902 3.177 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.474 5.974 5.456 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.010 8.606 -0.979 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.940 8.746 -2.429 1.00 0.00 C ATOM 1689 C LYS A 105 -3.298 10.074 -2.817 1.00 0.00 C ATOM 1690 O LYS A 105 -2.462 10.130 -3.718 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.339 8.646 -3.040 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.991 7.287 -2.848 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.342 7.215 -3.539 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.666 5.797 -3.983 1.00 0.00 C ATOM 1695 NZ LYS A 105 -8.759 5.768 -4.994 1.00 0.00 N ATOM 0 H LYS A 105 -4.957 8.620 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.322 7.937 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.976 9.411 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.277 8.862 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.337 6.510 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.115 7.089 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.118 7.571 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.345 7.878 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.772 5.334 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.957 5.203 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.950 4.784 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.620 6.186 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.472 6.314 -5.831 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.693 11.140 -2.129 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.153 12.467 -2.400 1.00 0.00 C ATOM 1711 C ALA A 106 -1.677 12.546 -2.024 1.00 0.00 C ATOM 1712 O ALA A 106 -0.943 13.396 -2.528 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.949 13.524 -1.649 1.00 0.00 C ATOM 0 H ALA A 106 -4.385 11.111 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.239 12.656 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.535 14.510 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.990 13.491 -1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.893 13.329 -0.578 1.00 0.00 H new ATOM 1719 N SER A 107 -1.249 11.656 -1.134 1.00 0.00 N ATOM 1720 CA SER A 107 0.138 11.629 -0.687 1.00 0.00 C ATOM 1721 C SER A 107 1.016 10.878 -1.684 1.00 0.00 C ATOM 1722 O SER A 107 2.241 11.002 -1.667 1.00 0.00 O ATOM 1723 CB SER A 107 0.239 10.974 0.692 1.00 0.00 C ATOM 1724 OG SER A 107 -0.069 9.593 0.625 1.00 0.00 O ATOM 0 H SER A 107 -1.843 10.944 -0.709 1.00 0.00 H new ATOM 0 HA SER A 107 0.492 12.658 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.246 11.106 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.443 11.469 1.384 1.00 0.00 H new ATOM 0 HG SER A 107 -0.692 9.432 -0.114 1.00 0.00 H new ATOM 1730 N PHE A 108 0.380 10.098 -2.552 1.00 0.00 N ATOM 1731 CA PHE A 108 1.101 9.326 -3.557 1.00 0.00 C ATOM 1732 C PHE A 108 1.413 10.182 -4.781 1.00 0.00 C ATOM 1733 O PHE A 108 2.379 9.927 -5.501 1.00 0.00 O ATOM 1734 CB PHE A 108 0.285 8.100 -3.972 1.00 0.00 C ATOM 1735 CG PHE A 108 0.557 6.885 -3.131 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.812 6.299 -3.124 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.442 6.330 -2.348 1.00 0.00 C ATOM 1738 CE1 PHE A 108 2.065 5.181 -2.352 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.195 5.212 -1.574 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.061 4.637 -1.576 1.00 0.00 C ATOM 0 H PHE A 108 -0.633 9.984 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 108 2.042 8.995 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.776 8.343 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.501 7.866 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.602 6.720 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.425 6.776 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.048 4.733 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.983 4.789 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.257 3.764 -0.972 1.00 0.00 H new ATOM 1750 N LEU A 109 0.588 11.198 -5.010 1.00 0.00 N ATOM 1751 CA LEU A 109 0.774 12.092 -6.147 1.00 0.00 C ATOM 1752 C LEU A 109 2.014 12.960 -5.960 1.00 0.00 C ATOM 1753 O LEU A 109 2.783 13.173 -6.898 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.459 12.978 -6.331 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.555 12.422 -7.241 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.567 11.625 -6.432 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.244 13.549 -7.997 1.00 0.00 C ATOM 0 H LEU A 109 -0.216 11.423 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 109 0.912 11.481 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.893 13.171 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.135 13.939 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.093 11.753 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.339 11.237 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.064 10.795 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.024 12.271 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.021 13.134 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.693 14.243 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.512 14.078 -8.608 1.00 0.00 H new ATOM 1769 N ARG A 110 2.204 13.457 -4.742 1.00 0.00 N ATOM 1770 CA ARG A 110 3.352 14.301 -4.431 1.00 0.00 C ATOM 1771 C ARG A 110 4.659 13.557 -4.686 1.00 0.00 C ATOM 1772 O ARG A 110 5.650 14.150 -5.112 1.00 0.00 O ATOM 1773 CB ARG A 110 3.292 14.765 -2.975 1.00 0.00 C ATOM 1774 CG ARG A 110 2.031 15.541 -2.634 1.00 0.00 C ATOM 1775 CD ARG A 110 2.165 16.266 -1.304 1.00 0.00 C ATOM 1776 NE ARG A 110 0.929 16.943 -0.922 1.00 0.00 N ATOM 1777 CZ ARG A 110 -0.077 16.340 -0.298 1.00 0.00 C ATOM 1778 NH1 ARG A 110 0.008 15.055 0.014 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -1.170 17.024 0.017 1.00 0.00 N ATOM 0 H ARG A 110 1.578 13.290 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 110 3.317 15.173 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.360 13.895 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.160 15.390 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.822 16.263 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.182 14.858 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.442 15.552 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.973 16.995 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 110 0.833 17.933 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.847 14.527 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.766 14.594 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.238 18.014 -0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.942 16.560 0.496 1.00 0.00 H new ATOM 1793 N ALA A 111 4.653 12.254 -4.423 1.00 0.00 N ATOM 1794 CA ALA A 111 5.837 11.429 -4.625 1.00 0.00 C ATOM 1795 C ALA A 111 6.101 11.201 -6.109 1.00 0.00 C ATOM 1796 O ALA A 111 7.249 11.079 -6.535 1.00 0.00 O ATOM 1797 CB ALA A 111 5.682 10.098 -3.903 1.00 0.00 C ATOM 0 H ALA A 111 3.841 11.748 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 111 6.694 11.958 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.574 9.492 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.550 10.276 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.811 9.572 -4.293 1.00 0.00 H new ATOM 1803 N GLY A 112 5.029 11.142 -6.894 1.00 0.00 N ATOM 1804 CA GLY A 112 5.166 10.928 -8.323 1.00 0.00 C ATOM 1805 C GLY A 112 4.465 9.668 -8.790 1.00 0.00 C ATOM 1806 O GLY A 112 4.972 8.949 -9.650 1.00 0.00 O ATOM 0 H GLY A 112 4.068 11.239 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.758 11.786 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.224 10.868 -8.578 1.00 0.00 H new ATOM 1810 N VAL A 113 3.294 9.398 -8.220 1.00 0.00 N ATOM 1811 CA VAL A 113 2.523 8.215 -8.582 1.00 0.00 C ATOM 1812 C VAL A 113 1.352 8.579 -9.488 1.00 0.00 C ATOM 1813 O VAL A 113 0.987 9.749 -9.608 1.00 0.00 O ATOM 1814 CB VAL A 113 1.985 7.491 -7.333 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.080 6.336 -7.734 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.134 7.002 -6.465 1.00 0.00 C ATOM 0 H VAL A 113 2.859 9.983 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 113 3.199 7.548 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 113 1.395 8.198 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.709 5.836 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.238 6.717 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.643 5.626 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.736 6.493 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.753 6.310 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.738 7.852 -6.148 1.00 0.00 H new