USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HD1:sc= -4.14! C(o=-4.8!,f=-5.4!) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.674 K(o=-4.8,f=-7.4!) USER MOD Set 2.1: A 39 SER OG : rot -126:sc= -0.547 USER MOD Set 2.2: A 41 TYR OH : rot 180:sc=-0.00975 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.054 K(o=-0.054,f=-0.58) USER MOD Single : A 18 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -51:sc= 0.637 USER MOD Single : A 37 SER OG : rot -145:sc= 0.13 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+ -155:sc= 0 (180deg=-0.824) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -1.51 (180deg=-1.56) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc=-0.00871 X(o=-0.0087,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.83 K(o=-0.83,f=-5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0127 (180deg=-0.178) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot -30:sc= -4.86! USER MOD Single : A 97 SER OG : rot 76:sc= 0.82 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 -35:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.477 12.450 5.221 1.00 0.00 N ATOM 67 CA VAL A 8 8.383 11.540 4.903 1.00 0.00 C ATOM 68 C VAL A 8 7.206 12.288 4.288 1.00 0.00 C ATOM 69 O VAL A 8 6.988 13.465 4.576 1.00 0.00 O ATOM 70 CB VAL A 8 7.900 10.785 6.156 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.819 9.779 5.789 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.067 10.096 6.846 1.00 0.00 C ATOM 0 HA VAL A 8 8.769 10.821 4.180 1.00 0.00 H new ATOM 0 HB VAL A 8 7.471 11.507 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.490 9.255 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.973 10.301 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.219 9.059 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.707 9.568 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.527 9.385 6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.805 10.841 7.144 1.00 0.00 H new ATOM 82 N ILE A 9 6.451 11.597 3.441 1.00 0.00 N ATOM 83 CA ILE A 9 5.294 12.196 2.786 1.00 0.00 C ATOM 84 C ILE A 9 4.001 11.820 3.502 1.00 0.00 C ATOM 85 O ILE A 9 3.010 12.547 3.437 1.00 0.00 O ATOM 86 CB ILE A 9 5.196 11.765 1.311 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.439 12.217 0.541 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.936 12.334 0.676 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.517 11.656 -0.862 1.00 0.00 C ATOM 0 H ILE A 9 6.619 10.622 3.192 1.00 0.00 H new ATOM 0 HA ILE A 9 5.430 13.277 2.831 1.00 0.00 H new ATOM 0 HB ILE A 9 5.141 10.677 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.449 13.306 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.329 11.916 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.881 12.021 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.061 11.967 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.963 13.422 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.423 12.018 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.539 10.567 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.645 11.978 -1.432 1.00 0.00 H new ATOM 101 N ARG A 10 4.020 10.680 4.185 1.00 0.00 N ATOM 102 CA ARG A 10 2.849 10.207 4.914 1.00 0.00 C ATOM 103 C ARG A 10 3.185 8.967 5.736 1.00 0.00 C ATOM 104 O ARG A 10 4.016 8.151 5.336 1.00 0.00 O ATOM 105 CB ARG A 10 1.709 9.895 3.943 1.00 0.00 C ATOM 106 CG ARG A 10 0.371 9.667 4.627 1.00 0.00 C ATOM 107 CD ARG A 10 -0.401 10.968 4.788 1.00 0.00 C ATOM 108 NE ARG A 10 0.095 11.764 5.906 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.160 11.484 7.179 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.902 10.431 7.493 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.327 12.256 8.141 1.00 0.00 N ATOM 0 H ARG A 10 4.833 10.067 4.249 1.00 0.00 H new ATOM 0 HA ARG A 10 2.532 10.998 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.610 10.718 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.968 9.008 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.221 8.961 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.534 9.216 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.328 11.549 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.457 10.746 4.941 1.00 0.00 H new ATOM 0 HE ARG A 10 0.669 12.581 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.278 9.834 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.097 10.218 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.899 13.067 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.130 12.039 9.118 1.00 0.00 H new ATOM 125 N ARG A 11 2.535 8.832 6.887 1.00 0.00 N ATOM 126 CA ARG A 11 2.766 7.692 7.766 1.00 0.00 C ATOM 127 C ARG A 11 1.478 7.283 8.476 1.00 0.00 C ATOM 128 O ARG A 11 0.575 8.097 8.662 1.00 0.00 O ATOM 129 CB ARG A 11 3.845 8.027 8.798 1.00 0.00 C ATOM 130 CG ARG A 11 5.257 7.993 8.235 1.00 0.00 C ATOM 131 CD ARG A 11 6.271 7.600 9.298 1.00 0.00 C ATOM 132 NE ARG A 11 7.643 7.849 8.863 1.00 0.00 N ATOM 133 CZ ARG A 11 8.709 7.586 9.610 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.562 7.069 10.823 1.00 0.00 N ATOM 135 NH2 ARG A 11 9.926 7.840 9.145 1.00 0.00 N ATOM 0 H ARG A 11 1.844 9.498 7.233 1.00 0.00 H new ATOM 0 HA ARG A 11 3.105 6.856 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.650 9.018 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.776 7.321 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.303 7.285 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.513 8.973 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.073 8.159 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.153 6.544 9.539 1.00 0.00 H new ATOM 0 HE ARG A 11 7.790 8.246 7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.628 6.873 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.383 6.868 11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.043 8.238 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.744 7.638 9.720 1.00 0.00 H new ATOM 149 N GLY A 12 1.402 6.015 8.869 1.00 0.00 N ATOM 150 CA GLY A 12 0.222 5.520 9.553 1.00 0.00 C ATOM 151 C GLY A 12 0.152 4.006 9.566 1.00 0.00 C ATOM 152 O GLY A 12 1.009 3.333 8.993 1.00 0.00 O ATOM 0 H GLY A 12 2.137 5.322 8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.218 5.890 10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.669 5.918 9.068 1.00 0.00 H new ATOM 156 N TRP A 13 -0.870 3.468 10.222 1.00 0.00 N ATOM 157 CA TRP A 13 -1.048 2.023 10.308 1.00 0.00 C ATOM 158 C TRP A 13 -2.102 1.544 9.317 1.00 0.00 C ATOM 159 O TRP A 13 -3.274 1.909 9.416 1.00 0.00 O ATOM 160 CB TRP A 13 -1.447 1.622 11.729 1.00 0.00 C ATOM 161 CG TRP A 13 -0.328 1.748 12.719 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.186 2.905 13.232 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.416 0.679 13.312 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.204 2.619 14.108 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.365 1.260 14.176 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.372 -0.714 13.199 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.260 0.496 14.920 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.261 -1.470 13.938 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.195 -0.864 14.790 1.00 0.00 C ATOM 0 H TRP A 13 -1.588 4.011 10.702 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.099 1.550 10.057 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.281 2.244 12.054 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.802 0.591 11.722 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.158 3.899 12.985 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.752 3.307 14.625 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.344 -1.190 12.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.980 0.961 15.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.236 -2.547 13.858 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.876 -1.483 15.355 1.00 0.00 H new ATOM 180 N LEU A 14 -1.679 0.724 8.360 1.00 0.00 N ATOM 181 CA LEU A 14 -2.587 0.194 7.350 1.00 0.00 C ATOM 182 C LEU A 14 -2.688 -1.324 7.451 1.00 0.00 C ATOM 183 O LEU A 14 -1.781 -1.986 7.957 1.00 0.00 O ATOM 184 CB LEU A 14 -2.115 0.594 5.951 1.00 0.00 C ATOM 185 CG LEU A 14 -2.277 2.070 5.584 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.432 2.412 4.366 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.740 2.399 5.330 1.00 0.00 C ATOM 0 H LEU A 14 -0.713 0.412 8.263 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.576 0.617 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.062 0.330 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.661 -0.003 5.221 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.931 2.674 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.559 3.466 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.382 2.215 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.748 1.801 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.836 3.453 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.113 1.787 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.321 2.192 6.229 1.00 0.00 H new ATOM 199 N THR A 15 -3.796 -1.873 6.963 1.00 0.00 N ATOM 200 CA THR A 15 -4.015 -3.313 6.997 1.00 0.00 C ATOM 201 C THR A 15 -4.072 -3.894 5.589 1.00 0.00 C ATOM 202 O THR A 15 -4.939 -3.531 4.792 1.00 0.00 O ATOM 203 CB THR A 15 -5.318 -3.666 7.739 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.221 -3.275 9.113 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.605 -5.158 7.650 1.00 0.00 C ATOM 0 H THR A 15 -4.556 -1.341 6.539 1.00 0.00 H new ATOM 0 HA THR A 15 -3.171 -3.748 7.533 1.00 0.00 H new ATOM 0 HB THR A 15 -6.137 -3.126 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.054 -3.501 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.530 -5.383 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.708 -5.447 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.783 -5.714 8.101 1.00 0.00 H new ATOM 213 N ILE A 16 -3.146 -4.797 5.288 1.00 0.00 N ATOM 214 CA ILE A 16 -3.093 -5.429 3.976 1.00 0.00 C ATOM 215 C ILE A 16 -4.236 -6.422 3.797 1.00 0.00 C ATOM 216 O ILE A 16 -4.267 -7.472 4.438 1.00 0.00 O ATOM 217 CB ILE A 16 -1.755 -6.160 3.756 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.583 -5.205 3.990 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.695 -6.747 2.354 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.743 -5.909 4.175 1.00 0.00 C ATOM 0 H ILE A 16 -2.422 -5.108 5.935 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.188 -4.632 3.239 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.683 -6.977 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.507 -4.522 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.789 -4.599 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.743 -7.260 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.512 -7.456 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.786 -5.946 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.528 -5.170 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.686 -6.572 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.972 -6.493 3.284 1.00 0.00 H new ATOM 232 N ASN A 17 -5.175 -6.083 2.920 1.00 0.00 N ATOM 233 CA ASN A 17 -6.321 -6.945 2.655 1.00 0.00 C ATOM 234 C ASN A 17 -5.887 -8.224 1.946 1.00 0.00 C ATOM 235 O ASN A 17 -6.443 -9.296 2.182 1.00 0.00 O ATOM 236 CB ASN A 17 -7.357 -6.205 1.807 1.00 0.00 C ATOM 237 CG ASN A 17 -8.769 -6.701 2.055 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.971 -7.796 2.580 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.754 -5.894 1.678 1.00 0.00 N ATOM 0 H ASN A 17 -5.165 -5.217 2.381 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.770 -7.215 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.306 -5.138 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.112 -6.326 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.725 -6.173 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.540 -4.995 1.247 1.00 0.00 H new ATOM 246 N ASN A 18 -4.890 -8.103 1.076 1.00 0.00 N ATOM 247 CA ASN A 18 -4.381 -9.250 0.333 1.00 0.00 C ATOM 248 C ASN A 18 -2.906 -9.488 0.643 1.00 0.00 C ATOM 249 O ASN A 18 -2.025 -8.932 -0.013 1.00 0.00 O ATOM 250 CB ASN A 18 -4.568 -9.033 -1.171 1.00 0.00 C ATOM 251 CG ASN A 18 -3.696 -9.956 -2.001 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.565 -11.142 -1.699 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.095 -9.412 -3.052 1.00 0.00 N ATOM 0 H ASN A 18 -4.419 -7.223 0.868 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.946 -10.130 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.614 -9.194 -1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.334 -7.997 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.495 -9.982 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.233 -8.424 -3.264 1.00 0.00 H new ATOM 395 N GLU A 28 -1.744 -6.036 10.360 1.00 0.00 N ATOM 396 CA GLU A 28 -1.505 -4.599 10.420 1.00 0.00 C ATOM 397 C GLU A 28 -0.010 -4.294 10.385 1.00 0.00 C ATOM 398 O GLU A 28 0.788 -4.973 11.030 1.00 0.00 O ATOM 399 CB GLU A 28 -2.128 -4.009 11.687 1.00 0.00 C ATOM 400 CG GLU A 28 -2.559 -2.560 11.536 1.00 0.00 C ATOM 401 CD GLU A 28 -3.109 -1.977 12.823 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.706 -2.449 13.907 1.00 0.00 O ATOM 403 OE2 GLU A 28 -3.942 -1.050 12.747 1.00 0.00 O ATOM 0 HA GLU A 28 -1.972 -4.142 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.993 -4.609 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.409 -4.082 12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.708 -1.964 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.318 -2.490 10.757 1.00 0.00 H new ATOM 410 N TYR A 29 0.360 -3.268 9.626 1.00 0.00 N ATOM 411 CA TYR A 29 1.758 -2.874 9.504 1.00 0.00 C ATOM 412 C TYR A 29 1.898 -1.354 9.505 1.00 0.00 C ATOM 413 O TYR A 29 0.914 -0.629 9.362 1.00 0.00 O ATOM 414 CB TYR A 29 2.362 -3.451 8.223 1.00 0.00 C ATOM 415 CG TYR A 29 2.548 -4.951 8.264 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.538 -5.808 7.844 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.734 -5.512 8.722 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.703 -7.179 7.880 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.908 -6.882 8.761 1.00 0.00 C ATOM 420 CZ TYR A 29 2.890 -7.711 8.339 1.00 0.00 C ATOM 421 OH TYR A 29 3.059 -9.076 8.377 1.00 0.00 O ATOM 0 H TYR A 29 -0.289 -2.695 9.087 1.00 0.00 H new ATOM 0 HA TYR A 29 2.297 -3.271 10.364 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.719 -3.196 7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.327 -2.978 8.041 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.608 -5.395 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.534 -4.866 9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.907 -7.831 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.836 -7.301 9.120 1.00 0.00 H new ATOM 0 HH TYR A 29 3.951 -9.286 8.725 1.00 0.00 H new ATOM 431 N TRP A 30 3.128 -0.881 9.668 1.00 0.00 N ATOM 432 CA TRP A 30 3.398 0.553 9.688 1.00 0.00 C ATOM 433 C TRP A 30 3.942 1.023 8.343 1.00 0.00 C ATOM 434 O TRP A 30 5.142 0.936 8.084 1.00 0.00 O ATOM 435 CB TRP A 30 4.393 0.889 10.800 1.00 0.00 C ATOM 436 CG TRP A 30 4.839 2.320 10.785 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.038 2.800 10.341 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.092 3.456 11.234 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.082 4.165 10.488 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.900 4.592 11.033 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.819 3.623 11.785 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.474 5.876 11.365 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.398 4.898 12.115 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.223 6.011 11.903 1.00 0.00 C ATOM 0 H TRP A 30 3.954 -1.468 9.788 1.00 0.00 H new ATOM 0 HA TRP A 30 2.459 1.072 9.881 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.937 0.668 11.765 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.266 0.243 10.705 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.835 2.195 9.934 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.867 4.764 10.233 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.175 2.772 11.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.109 6.735 11.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.417 5.039 12.543 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.864 6.994 12.169 1.00 0.00 H new ATOM 455 N PHE A 31 3.052 1.521 7.492 1.00 0.00 N ATOM 456 CA PHE A 31 3.443 2.004 6.173 1.00 0.00 C ATOM 457 C PHE A 31 4.060 3.397 6.264 1.00 0.00 C ATOM 458 O PHE A 31 3.545 4.271 6.961 1.00 0.00 O ATOM 459 CB PHE A 31 2.234 2.030 5.236 1.00 0.00 C ATOM 460 CG PHE A 31 1.897 0.687 4.654 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.317 -0.297 5.439 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.159 0.409 3.323 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.006 -1.533 4.906 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.850 -0.826 2.784 1.00 0.00 C ATOM 465 CZ PHE A 31 1.272 -1.798 3.577 1.00 0.00 C ATOM 0 H PHE A 31 2.055 1.601 7.692 1.00 0.00 H new ATOM 0 HA PHE A 31 4.191 1.320 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.369 2.408 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.429 2.730 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.106 -0.095 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.610 1.166 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.555 -2.292 5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.060 -1.030 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.029 -2.763 3.159 1.00 0.00 H new ATOM 475 N VAL A 32 5.168 3.595 5.557 1.00 0.00 N ATOM 476 CA VAL A 32 5.856 4.880 5.557 1.00 0.00 C ATOM 477 C VAL A 32 6.159 5.342 4.136 1.00 0.00 C ATOM 478 O VAL A 32 7.199 5.002 3.571 1.00 0.00 O ATOM 479 CB VAL A 32 7.171 4.813 6.356 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.964 6.100 6.189 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.889 4.537 7.825 1.00 0.00 C ATOM 0 H VAL A 32 5.608 2.881 4.977 1.00 0.00 H new ATOM 0 HA VAL A 32 5.187 5.597 6.033 1.00 0.00 H new ATOM 0 HB VAL A 32 7.771 3.992 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.890 6.034 6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.198 6.249 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.373 6.941 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.830 4.493 8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.268 5.335 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.367 3.585 7.923 1.00 0.00 H new ATOM 491 N LEU A 33 5.246 6.118 3.565 1.00 0.00 N ATOM 492 CA LEU A 33 5.415 6.628 2.208 1.00 0.00 C ATOM 493 C LEU A 33 6.320 7.856 2.197 1.00 0.00 C ATOM 494 O LEU A 33 6.026 8.864 2.840 1.00 0.00 O ATOM 495 CB LEU A 33 4.056 6.976 1.600 1.00 0.00 C ATOM 496 CG LEU A 33 4.087 7.616 0.211 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.039 6.548 -0.870 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.932 8.594 0.049 1.00 0.00 C ATOM 0 H LEU A 33 4.380 6.409 4.020 1.00 0.00 H new ATOM 0 HA LEU A 33 5.885 5.848 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.461 6.065 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.539 7.654 2.279 1.00 0.00 H new ATOM 0 HG LEU A 33 5.021 8.167 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.062 7.022 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.899 5.887 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.121 5.968 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.970 9.040 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.987 8.065 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.011 9.378 0.802 1.00 0.00 H new ATOM 510 N THR A 34 7.423 7.765 1.461 1.00 0.00 N ATOM 511 CA THR A 34 8.371 8.868 1.365 1.00 0.00 C ATOM 512 C THR A 34 8.716 9.171 -0.089 1.00 0.00 C ATOM 513 O THR A 34 8.267 8.478 -1.001 1.00 0.00 O ATOM 514 CB THR A 34 9.670 8.561 2.135 1.00 0.00 C ATOM 515 OG1 THR A 34 10.425 7.560 1.444 1.00 0.00 O ATOM 516 CG2 THR A 34 9.362 8.087 3.547 1.00 0.00 C ATOM 0 H THR A 34 7.682 6.938 0.922 1.00 0.00 H new ATOM 0 HA THR A 34 7.890 9.738 1.811 1.00 0.00 H new ATOM 0 HB THR A 34 10.256 9.478 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.847 6.794 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.294 7.876 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.813 8.864 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.758 7.181 3.503 1.00 0.00 H new ATOM 524 N ALA A 35 9.516 10.212 -0.298 1.00 0.00 N ATOM 525 CA ALA A 35 9.923 10.605 -1.641 1.00 0.00 C ATOM 526 C ALA A 35 10.792 9.532 -2.287 1.00 0.00 C ATOM 527 O ALA A 35 10.859 9.430 -3.512 1.00 0.00 O ATOM 528 CB ALA A 35 10.663 11.934 -1.600 1.00 0.00 C ATOM 0 H ALA A 35 9.895 10.798 0.446 1.00 0.00 H new ATOM 0 HA ALA A 35 9.025 10.721 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.961 12.216 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.009 12.702 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.550 11.838 -0.973 1.00 0.00 H new ATOM 534 N GLU A 36 11.457 8.736 -1.457 1.00 0.00 N ATOM 535 CA GLU A 36 12.324 7.672 -1.949 1.00 0.00 C ATOM 536 C GLU A 36 11.509 6.440 -2.334 1.00 0.00 C ATOM 537 O GLU A 36 11.420 6.083 -3.508 1.00 0.00 O ATOM 538 CB GLU A 36 13.364 7.299 -0.890 1.00 0.00 C ATOM 539 CG GLU A 36 14.356 8.411 -0.593 1.00 0.00 C ATOM 540 CD GLU A 36 13.866 9.357 0.485 1.00 0.00 C ATOM 541 OE1 GLU A 36 12.986 8.954 1.275 1.00 0.00 O ATOM 542 OE2 GLU A 36 14.363 10.502 0.540 1.00 0.00 O ATOM 0 H GLU A 36 11.412 8.807 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 36 12.837 8.039 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.850 7.026 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.910 6.416 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.305 7.973 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.548 8.975 -1.506 1.00 0.00 H new ATOM 549 N SER A 37 10.916 5.795 -1.334 1.00 0.00 N ATOM 550 CA SER A 37 10.112 4.601 -1.566 1.00 0.00 C ATOM 551 C SER A 37 9.135 4.372 -0.416 1.00 0.00 C ATOM 552 O SER A 37 9.186 5.061 0.604 1.00 0.00 O ATOM 553 CB SER A 37 11.014 3.377 -1.734 1.00 0.00 C ATOM 554 OG SER A 37 11.455 2.892 -0.478 1.00 0.00 O ATOM 0 H SER A 37 10.977 6.079 -0.356 1.00 0.00 H new ATOM 0 HA SER A 37 9.540 4.751 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.472 2.592 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.875 3.638 -2.349 1.00 0.00 H new ATOM 0 HG SER A 37 12.368 2.547 -0.563 1.00 0.00 H new ATOM 560 N LEU A 38 8.246 3.400 -0.588 1.00 0.00 N ATOM 561 CA LEU A 38 7.256 3.079 0.435 1.00 0.00 C ATOM 562 C LEU A 38 7.599 1.765 1.130 1.00 0.00 C ATOM 563 O LEU A 38 7.575 0.700 0.513 1.00 0.00 O ATOM 564 CB LEU A 38 5.862 2.992 -0.187 1.00 0.00 C ATOM 565 CG LEU A 38 4.803 2.261 0.639 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.187 3.197 1.667 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.727 1.680 -0.267 1.00 0.00 C ATOM 0 H LEU A 38 8.190 2.821 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 38 7.266 3.876 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.508 4.005 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.947 2.495 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 38 5.287 1.440 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.436 2.659 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.965 3.565 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.718 4.039 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.982 1.163 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.247 2.485 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.180 0.975 -0.964 1.00 0.00 H new ATOM 579 N SER A 39 7.914 1.848 2.418 1.00 0.00 N ATOM 580 CA SER A 39 8.263 0.666 3.198 1.00 0.00 C ATOM 581 C SER A 39 7.278 0.463 4.346 1.00 0.00 C ATOM 582 O SER A 39 6.626 1.406 4.793 1.00 0.00 O ATOM 583 CB SER A 39 9.685 0.792 3.747 1.00 0.00 C ATOM 584 OG SER A 39 10.221 -0.478 4.073 1.00 0.00 O ATOM 0 H SER A 39 7.935 2.722 2.944 1.00 0.00 H new ATOM 0 HA SER A 39 8.212 -0.201 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.321 1.280 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.681 1.427 4.633 1.00 0.00 H new ATOM 0 HG SER A 39 10.528 -0.474 5.004 1.00 0.00 H new ATOM 590 N TRP A 40 7.177 -0.775 4.817 1.00 0.00 N ATOM 591 CA TRP A 40 6.273 -1.103 5.913 1.00 0.00 C ATOM 592 C TRP A 40 6.973 -1.965 6.958 1.00 0.00 C ATOM 593 O TRP A 40 7.632 -2.950 6.623 1.00 0.00 O ATOM 594 CB TRP A 40 5.037 -1.831 5.380 1.00 0.00 C ATOM 595 CG TRP A 40 5.366 -2.963 4.455 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.638 -4.255 4.806 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.460 -2.904 3.028 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.895 -5.002 3.682 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.792 -4.197 2.579 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.295 -1.885 2.086 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.962 -4.495 1.229 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.464 -2.183 0.747 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.793 -3.479 0.328 1.00 0.00 C ATOM 0 H TRP A 40 7.709 -1.567 4.457 1.00 0.00 H new ATOM 0 HA TRP A 40 5.963 -0.171 6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.460 -2.215 6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.401 -1.117 4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.649 -4.633 5.818 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.125 -5.996 3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.040 -0.883 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.218 -5.493 0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.340 -1.403 0.010 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.916 -3.680 -0.726 1.00 0.00 H new ATOM 614 N TYR A 41 6.828 -1.587 8.223 1.00 0.00 N ATOM 615 CA TYR A 41 7.450 -2.325 9.317 1.00 0.00 C ATOM 616 C TYR A 41 6.413 -2.724 10.363 1.00 0.00 C ATOM 617 O TYR A 41 5.413 -2.033 10.559 1.00 0.00 O ATOM 618 CB TYR A 41 8.549 -1.483 9.967 1.00 0.00 C ATOM 619 CG TYR A 41 9.371 -0.691 8.976 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.787 0.294 8.189 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.732 -0.928 8.825 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.535 1.020 7.282 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.487 -0.206 7.922 1.00 0.00 C ATOM 624 CZ TYR A 41 10.884 0.766 7.152 1.00 0.00 C ATOM 625 OH TYR A 41 11.633 1.487 6.250 1.00 0.00 O ATOM 0 H TYR A 41 6.286 -0.775 8.517 1.00 0.00 H new ATOM 0 HA TYR A 41 7.892 -3.232 8.905 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.094 -0.796 10.681 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.211 -2.139 10.533 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.731 0.496 8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.208 -1.690 9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.065 1.782 6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.544 -0.402 7.819 1.00 0.00 H new ATOM 0 HH TYR A 41 12.565 1.185 6.283 1.00 0.00 H new ATOM 635 N LYS A 42 6.660 -3.845 11.033 1.00 0.00 N ATOM 636 CA LYS A 42 5.752 -4.338 12.061 1.00 0.00 C ATOM 637 C LYS A 42 5.129 -3.181 12.837 1.00 0.00 C ATOM 638 O LYS A 42 3.906 -3.068 12.924 1.00 0.00 O ATOM 639 CB LYS A 42 6.494 -5.270 13.022 1.00 0.00 C ATOM 640 CG LYS A 42 6.502 -6.722 12.576 1.00 0.00 C ATOM 641 CD LYS A 42 6.789 -7.659 13.737 1.00 0.00 C ATOM 642 CE LYS A 42 7.127 -9.060 13.251 1.00 0.00 C ATOM 643 NZ LYS A 42 7.347 -10.002 14.383 1.00 0.00 N ATOM 0 H LYS A 42 7.482 -4.429 10.882 1.00 0.00 H new ATOM 0 HA LYS A 42 4.954 -4.894 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.523 -4.925 13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.033 -5.204 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.538 -6.973 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.255 -6.861 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.618 -7.267 14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.922 -7.700 14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.318 -9.431 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.022 -9.023 12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.575 -10.946 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.136 -9.662 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.484 -10.057 14.961 1.00 0.00 H new ATOM 657 N ASP A 43 5.977 -2.326 13.397 1.00 0.00 N ATOM 658 CA ASP A 43 5.509 -1.177 14.163 1.00 0.00 C ATOM 659 C ASP A 43 6.080 0.121 13.600 1.00 0.00 C ATOM 660 O ASP A 43 6.803 0.111 12.604 1.00 0.00 O ATOM 661 CB ASP A 43 5.900 -1.324 15.634 1.00 0.00 C ATOM 662 CG ASP A 43 5.442 -2.643 16.225 1.00 0.00 C ATOM 663 OD1 ASP A 43 6.082 -3.676 15.939 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.443 -2.641 16.975 1.00 0.00 O ATOM 0 H ASP A 43 6.992 -2.407 13.335 1.00 0.00 H new ATOM 0 HA ASP A 43 4.422 -1.139 14.086 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.983 -1.243 15.729 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.467 -0.503 16.206 1.00 0.00 H new ATOM 669 N GLU A 44 5.749 1.236 14.243 1.00 0.00 N ATOM 670 CA GLU A 44 6.229 2.541 13.804 1.00 0.00 C ATOM 671 C GLU A 44 7.604 2.842 14.393 1.00 0.00 C ATOM 672 O GLU A 44 7.943 3.998 14.644 1.00 0.00 O ATOM 673 CB GLU A 44 5.238 3.635 14.208 1.00 0.00 C ATOM 674 CG GLU A 44 5.326 4.025 15.674 1.00 0.00 C ATOM 675 CD GLU A 44 5.744 2.868 16.561 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.927 1.944 16.754 1.00 0.00 O ATOM 677 OE2 GLU A 44 6.888 2.887 17.063 1.00 0.00 O ATOM 0 H GLU A 44 5.151 1.262 15.069 1.00 0.00 H new ATOM 0 HA GLU A 44 6.315 2.521 12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.415 4.518 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.226 3.294 13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.040 4.841 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.358 4.400 16.005 1.00 0.00 H new ATOM 684 N GLU A 45 8.390 1.793 14.612 1.00 0.00 N ATOM 685 CA GLU A 45 9.728 1.945 15.172 1.00 0.00 C ATOM 686 C GLU A 45 10.788 1.869 14.078 1.00 0.00 C ATOM 687 O GLU A 45 11.900 2.372 14.241 1.00 0.00 O ATOM 688 CB GLU A 45 9.988 0.867 16.227 1.00 0.00 C ATOM 689 CG GLU A 45 8.954 0.842 17.340 1.00 0.00 C ATOM 690 CD GLU A 45 9.348 -0.075 18.482 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.274 -1.308 18.305 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.731 0.443 19.552 1.00 0.00 O ATOM 0 H GLU A 45 8.124 0.829 14.410 1.00 0.00 H new ATOM 0 HA GLU A 45 9.788 2.926 15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.009 -0.108 15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.974 1.027 16.662 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.813 1.853 17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.996 0.519 16.933 1.00 0.00 H new ATOM 699 N GLU A 46 10.436 1.235 12.964 1.00 0.00 N ATOM 700 CA GLU A 46 11.358 1.091 11.844 1.00 0.00 C ATOM 701 C GLU A 46 12.630 0.366 12.275 1.00 0.00 C ATOM 702 O GLU A 46 13.741 0.818 11.999 1.00 0.00 O ATOM 703 CB GLU A 46 11.712 2.463 11.266 1.00 0.00 C ATOM 704 CG GLU A 46 10.505 3.250 10.783 1.00 0.00 C ATOM 705 CD GLU A 46 10.891 4.460 9.954 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.336 4.273 8.803 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.747 5.593 10.458 1.00 0.00 O ATOM 0 H GLU A 46 9.520 0.813 12.813 1.00 0.00 H new ATOM 0 HA GLU A 46 10.864 0.497 11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.234 3.044 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.405 2.330 10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.864 2.598 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.920 3.575 11.643 1.00 0.00 H new ATOM 714 N LYS A 47 12.458 -0.763 12.955 1.00 0.00 N ATOM 715 CA LYS A 47 13.589 -1.553 13.425 1.00 0.00 C ATOM 716 C LYS A 47 13.843 -2.742 12.503 1.00 0.00 C ATOM 717 O LYS A 47 14.987 -3.145 12.297 1.00 0.00 O ATOM 718 CB LYS A 47 13.336 -2.045 14.852 1.00 0.00 C ATOM 719 CG LYS A 47 12.418 -3.253 14.925 1.00 0.00 C ATOM 720 CD LYS A 47 12.521 -3.951 16.270 1.00 0.00 C ATOM 721 CE LYS A 47 11.503 -3.407 17.261 1.00 0.00 C ATOM 722 NZ LYS A 47 11.963 -3.559 18.669 1.00 0.00 N ATOM 0 H LYS A 47 11.545 -1.151 13.193 1.00 0.00 H new ATOM 0 HA LYS A 47 14.473 -0.916 13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.290 -2.296 15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.902 -1.233 15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.388 -2.939 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.673 -3.954 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.365 -5.022 16.138 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.526 -3.822 16.672 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.319 -2.353 17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.555 -3.928 17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.242 -3.176 19.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.114 -4.566 18.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.855 -3.040 18.801 1.00 0.00 H new ATOM 736 N GLU A 48 12.769 -3.297 11.951 1.00 0.00 N ATOM 737 CA GLU A 48 12.877 -4.440 11.051 1.00 0.00 C ATOM 738 C GLU A 48 12.048 -4.218 9.789 1.00 0.00 C ATOM 739 O GLU A 48 10.821 -4.317 9.813 1.00 0.00 O ATOM 740 CB GLU A 48 12.420 -5.718 11.757 1.00 0.00 C ATOM 741 CG GLU A 48 13.461 -6.298 12.700 1.00 0.00 C ATOM 742 CD GLU A 48 12.992 -7.573 13.374 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.546 -8.494 12.658 1.00 0.00 O ATOM 744 OE2 GLU A 48 13.071 -7.649 14.618 1.00 0.00 O ATOM 0 H GLU A 48 11.815 -2.974 12.111 1.00 0.00 H new ATOM 0 HA GLU A 48 13.923 -4.547 10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.510 -5.507 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.165 -6.466 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.376 -6.501 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.708 -5.558 13.462 1.00 0.00 H new ATOM 751 N LYS A 49 12.727 -3.918 8.688 1.00 0.00 N ATOM 752 CA LYS A 49 12.056 -3.682 7.415 1.00 0.00 C ATOM 753 C LYS A 49 11.581 -4.995 6.800 1.00 0.00 C ATOM 754 O LYS A 49 12.358 -5.936 6.643 1.00 0.00 O ATOM 755 CB LYS A 49 12.996 -2.963 6.445 1.00 0.00 C ATOM 756 CG LYS A 49 12.380 -2.704 5.080 1.00 0.00 C ATOM 757 CD LYS A 49 12.962 -1.458 4.434 1.00 0.00 C ATOM 758 CE LYS A 49 14.408 -1.671 4.015 1.00 0.00 C ATOM 759 NZ LYS A 49 14.510 -2.321 2.679 1.00 0.00 N ATOM 0 H LYS A 49 13.743 -3.832 8.651 1.00 0.00 H new ATOM 0 HA LYS A 49 11.186 -3.052 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.299 -2.012 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.900 -3.559 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.551 -3.564 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.301 -2.592 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.366 -1.186 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.904 -0.624 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.924 -0.711 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.914 -2.287 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.418 -2.823 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.729 -2.998 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.454 -1.596 1.935 1.00 0.00 H new ATOM 773 N LYS A 50 10.300 -5.050 6.452 1.00 0.00 N ATOM 774 CA LYS A 50 9.720 -6.245 5.851 1.00 0.00 C ATOM 775 C LYS A 50 10.083 -6.342 4.373 1.00 0.00 C ATOM 776 O LYS A 50 10.687 -7.321 3.935 1.00 0.00 O ATOM 777 CB LYS A 50 8.198 -6.237 6.014 1.00 0.00 C ATOM 778 CG LYS A 50 7.719 -6.920 7.284 1.00 0.00 C ATOM 779 CD LYS A 50 8.440 -6.387 8.510 1.00 0.00 C ATOM 780 CE LYS A 50 8.495 -7.426 9.620 1.00 0.00 C ATOM 781 NZ LYS A 50 9.341 -6.976 10.760 1.00 0.00 N ATOM 0 H LYS A 50 9.643 -4.280 6.576 1.00 0.00 H new ATOM 0 HA LYS A 50 10.129 -7.114 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.846 -5.205 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.746 -6.730 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.646 -6.768 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.882 -7.995 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.453 -6.090 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.932 -5.493 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.485 -7.631 9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.889 -8.361 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.245 -7.647 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.336 -6.935 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.034 -6.032 11.069 1.00 0.00 H new ATOM 795 N TYR A 51 9.712 -5.320 3.610 1.00 0.00 N ATOM 796 CA TYR A 51 9.998 -5.290 2.180 1.00 0.00 C ATOM 797 C TYR A 51 9.723 -3.907 1.598 1.00 0.00 C ATOM 798 O TYR A 51 8.590 -3.428 1.615 1.00 0.00 O ATOM 799 CB TYR A 51 9.158 -6.339 1.449 1.00 0.00 C ATOM 800 CG TYR A 51 9.452 -6.426 -0.031 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.172 -5.361 -0.879 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.009 -7.572 -0.584 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.438 -5.435 -2.232 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.280 -7.655 -1.936 1.00 0.00 C ATOM 805 CZ TYR A 51 9.992 -6.584 -2.756 1.00 0.00 C ATOM 806 OH TYR A 51 10.260 -6.663 -4.103 1.00 0.00 O ATOM 0 H TYR A 51 9.213 -4.501 3.957 1.00 0.00 H new ATOM 0 HA TYR A 51 11.055 -5.519 2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.334 -7.314 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.102 -6.108 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.739 -4.459 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.234 -8.413 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.213 -4.598 -2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.715 -8.553 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 51 10.649 -7.539 -4.308 1.00 0.00 H new ATOM 816 N MET A 52 10.770 -3.271 1.083 1.00 0.00 N ATOM 817 CA MET A 52 10.643 -1.943 0.494 1.00 0.00 C ATOM 818 C MET A 52 10.025 -2.023 -0.898 1.00 0.00 C ATOM 819 O MET A 52 10.131 -3.046 -1.577 1.00 0.00 O ATOM 820 CB MET A 52 12.010 -1.261 0.420 1.00 0.00 C ATOM 821 CG MET A 52 11.981 0.084 -0.289 1.00 0.00 C ATOM 822 SD MET A 52 13.614 0.840 -0.410 1.00 0.00 S ATOM 823 CE MET A 52 14.096 0.342 -2.062 1.00 0.00 C ATOM 0 H MET A 52 11.715 -3.653 1.062 1.00 0.00 H new ATOM 0 HA MET A 52 9.985 -1.352 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.392 -1.121 1.431 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.708 -1.920 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.570 -0.046 -1.290 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.311 0.758 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.088 0.734 -2.285 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.114 -0.746 -2.123 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.380 0.734 -2.784 1.00 0.00 H new ATOM 833 N LEU A 53 9.381 -0.940 -1.318 1.00 0.00 N ATOM 834 CA LEU A 53 8.746 -0.888 -2.631 1.00 0.00 C ATOM 835 C LEU A 53 8.825 0.517 -3.218 1.00 0.00 C ATOM 836 O LEU A 53 8.551 1.513 -2.548 1.00 0.00 O ATOM 837 CB LEU A 53 7.286 -1.330 -2.530 1.00 0.00 C ATOM 838 CG LEU A 53 6.687 -1.961 -3.788 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.305 -3.327 -4.046 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.175 -2.073 -3.661 1.00 0.00 C ATOM 0 H LEU A 53 9.284 -0.086 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 53 9.280 -1.569 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.200 -2.046 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.683 -0.463 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 53 6.913 -1.316 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.867 -3.761 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.381 -3.220 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.111 -3.981 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.766 -2.524 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.927 -2.695 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.747 -1.080 -3.526 1.00 0.00 H new ATOM 852 N PRO A 54 9.206 0.602 -4.502 1.00 0.00 N ATOM 853 CA PRO A 54 9.326 1.881 -5.209 1.00 0.00 C ATOM 854 C PRO A 54 7.971 2.531 -5.466 1.00 0.00 C ATOM 855 O PRO A 54 6.925 1.911 -5.266 1.00 0.00 O ATOM 856 CB PRO A 54 9.993 1.493 -6.531 1.00 0.00 C ATOM 857 CG PRO A 54 9.628 0.064 -6.735 1.00 0.00 C ATOM 858 CD PRO A 54 9.548 -0.543 -5.361 1.00 0.00 C ATOM 0 HA PRO A 54 9.888 2.615 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.635 2.114 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.074 1.622 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.675 -0.025 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.374 -0.446 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.789 -1.324 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.494 -0.998 -5.067 1.00 0.00 H new ATOM 866 N LEU A 55 7.995 3.782 -5.911 1.00 0.00 N ATOM 867 CA LEU A 55 6.767 4.516 -6.197 1.00 0.00 C ATOM 868 C LEU A 55 6.783 5.072 -7.617 1.00 0.00 C ATOM 869 O LEU A 55 6.143 6.084 -7.905 1.00 0.00 O ATOM 870 CB LEU A 55 6.586 5.656 -5.193 1.00 0.00 C ATOM 871 CG LEU A 55 7.166 5.421 -3.798 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.361 6.742 -3.070 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.264 4.495 -2.994 1.00 0.00 C ATOM 0 H LEU A 55 8.851 4.310 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 55 5.930 3.824 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.043 6.554 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.520 5.858 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 55 8.140 4.943 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.775 6.554 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.047 7.372 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.401 7.249 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.693 4.339 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.276 4.945 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.177 3.537 -3.507 1.00 0.00 H new ATOM 885 N ASP A 56 7.516 4.403 -8.500 1.00 0.00 N ATOM 886 CA ASP A 56 7.612 4.828 -9.892 1.00 0.00 C ATOM 887 C ASP A 56 6.884 3.852 -10.810 1.00 0.00 C ATOM 888 O ASP A 56 6.190 4.260 -11.740 1.00 0.00 O ATOM 889 CB ASP A 56 9.078 4.945 -10.311 1.00 0.00 C ATOM 890 CG ASP A 56 9.660 6.313 -10.012 1.00 0.00 C ATOM 891 OD1 ASP A 56 10.188 6.501 -8.897 1.00 0.00 O ATOM 892 OD2 ASP A 56 9.585 7.195 -10.893 1.00 0.00 O ATOM 0 H ASP A 56 8.052 3.565 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 56 7.137 5.805 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.662 4.184 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.165 4.742 -11.378 1.00 0.00 H new ATOM 897 N ASN A 57 7.048 2.561 -10.542 1.00 0.00 N ATOM 898 CA ASN A 57 6.407 1.526 -11.345 1.00 0.00 C ATOM 899 C ASN A 57 5.133 1.024 -10.670 1.00 0.00 C ATOM 900 O ASN A 57 4.651 -0.070 -10.966 1.00 0.00 O ATOM 901 CB ASN A 57 7.370 0.359 -11.573 1.00 0.00 C ATOM 902 CG ASN A 57 8.785 0.824 -11.854 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.700 0.577 -11.068 1.00 0.00 O ATOM 904 ND2 ASN A 57 8.973 1.502 -12.981 1.00 0.00 N ATOM 0 H ASN A 57 7.619 2.206 -9.775 1.00 0.00 H new ATOM 0 HA ASN A 57 6.140 1.962 -12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.370 -0.285 -10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.015 -0.243 -12.410 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.904 1.840 -13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.186 1.684 -13.604 1.00 0.00 H new ATOM 911 N LEU A 58 4.593 1.832 -9.764 1.00 0.00 N ATOM 912 CA LEU A 58 3.375 1.471 -9.048 1.00 0.00 C ATOM 913 C LEU A 58 2.217 2.379 -9.450 1.00 0.00 C ATOM 914 O LEU A 58 2.426 3.487 -9.944 1.00 0.00 O ATOM 915 CB LEU A 58 3.604 1.557 -7.538 1.00 0.00 C ATOM 916 CG LEU A 58 4.753 0.713 -6.984 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.665 0.620 -5.469 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.743 -0.675 -7.607 1.00 0.00 C ATOM 0 H LEU A 58 4.979 2.741 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 58 3.117 0.446 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.787 2.599 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.685 1.259 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 58 5.694 1.199 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.491 0.016 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.722 1.620 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.719 0.157 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.567 -1.262 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.799 -1.169 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.856 -0.590 -8.688 1.00 0.00 H new ATOM 930 N LYS A 59 0.996 1.903 -9.234 1.00 0.00 N ATOM 931 CA LYS A 59 -0.196 2.673 -9.570 1.00 0.00 C ATOM 932 C LYS A 59 -1.382 2.241 -8.713 1.00 0.00 C ATOM 933 O LYS A 59 -1.365 1.168 -8.109 1.00 0.00 O ATOM 934 CB LYS A 59 -0.536 2.503 -11.053 1.00 0.00 C ATOM 935 CG LYS A 59 -1.175 3.732 -11.675 1.00 0.00 C ATOM 936 CD LYS A 59 -2.149 3.357 -12.779 1.00 0.00 C ATOM 937 CE LYS A 59 -1.464 3.314 -14.136 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.530 4.629 -14.832 1.00 0.00 N ATOM 0 H LYS A 59 0.805 0.987 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 59 0.011 3.724 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.375 2.261 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.212 1.655 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.697 4.300 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.399 4.382 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.590 2.384 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.966 4.078 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.421 3.023 -14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.934 2.551 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.052 4.559 -15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.525 4.895 -14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.059 5.353 -14.252 1.00 0.00 H new ATOM 952 N ILE A 60 -2.410 3.082 -8.667 1.00 0.00 N ATOM 953 CA ILE A 60 -3.604 2.785 -7.886 1.00 0.00 C ATOM 954 C ILE A 60 -4.847 2.765 -8.769 1.00 0.00 C ATOM 955 O ILE A 60 -4.992 3.588 -9.673 1.00 0.00 O ATOM 956 CB ILE A 60 -3.808 3.812 -6.756 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.552 3.902 -5.887 1.00 0.00 C ATOM 958 CG2 ILE A 60 -5.017 3.438 -5.912 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.560 5.077 -4.934 1.00 0.00 C ATOM 0 H ILE A 60 -2.440 3.974 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.456 1.798 -7.447 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.990 4.790 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.450 2.980 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.677 3.974 -6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.148 4.173 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.908 3.420 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.863 2.453 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.640 5.078 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.631 6.005 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.415 4.996 -4.263 1.00 0.00 H new ATOM 971 N ARG A 61 -5.742 1.820 -8.499 1.00 0.00 N ATOM 972 CA ARG A 61 -6.974 1.692 -9.269 1.00 0.00 C ATOM 973 C ARG A 61 -8.144 1.318 -8.364 1.00 0.00 C ATOM 974 O ARG A 61 -7.990 0.539 -7.424 1.00 0.00 O ATOM 975 CB ARG A 61 -6.807 0.640 -10.367 1.00 0.00 C ATOM 976 CG ARG A 61 -6.191 -0.659 -9.877 1.00 0.00 C ATOM 977 CD ARG A 61 -6.167 -1.713 -10.974 1.00 0.00 C ATOM 978 NE ARG A 61 -7.504 -2.212 -11.282 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.802 -2.879 -12.392 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.861 -3.126 -13.293 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.042 -3.301 -12.601 1.00 0.00 N ATOM 0 H ARG A 61 -5.637 1.132 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.188 2.657 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.782 0.427 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.183 1.051 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.175 -0.472 -9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.758 -1.033 -9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.722 -1.289 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.532 -2.544 -10.665 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.250 -2.039 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.906 -2.804 -13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.092 -3.638 -14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.768 -3.114 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.270 -3.813 -13.453 1.00 0.00 H new ATOM 995 N ASP A 62 -9.313 1.879 -8.655 1.00 0.00 N ATOM 996 CA ASP A 62 -10.509 1.604 -7.868 1.00 0.00 C ATOM 997 C ASP A 62 -10.868 0.122 -7.925 1.00 0.00 C ATOM 998 O ASP A 62 -10.850 -0.492 -8.992 1.00 0.00 O ATOM 999 CB ASP A 62 -11.682 2.445 -8.374 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.668 2.785 -7.273 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -12.435 3.779 -6.554 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.673 2.057 -7.131 1.00 0.00 O ATOM 0 H ASP A 62 -9.457 2.527 -9.430 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.301 1.870 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.301 3.367 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.199 1.903 -9.166 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.619 -1.488 2.329 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.946 -0.318 2.881 1.00 0.00 C ATOM 1131 C LYS A 71 -14.028 0.321 1.844 1.00 0.00 C ATOM 1132 O LYS A 71 -13.993 -0.100 0.687 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.139 -0.706 4.122 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.932 -0.619 5.415 1.00 0.00 C ATOM 1135 CD LYS A 71 -14.280 -1.428 6.524 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.163 -0.647 7.200 1.00 0.00 C ATOM 1137 NZ LYS A 71 -12.273 -1.532 8.001 1.00 0.00 N ATOM 0 HA LYS A 71 -15.708 0.409 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.769 -1.724 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.267 -0.056 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.014 0.423 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.946 -0.982 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.031 -1.705 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.880 -2.355 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.574 -0.128 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.594 0.116 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.525 -0.962 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.830 -2.008 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.841 -2.245 7.379 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.285 1.339 2.266 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.364 2.035 1.373 1.00 0.00 C ATOM 1153 C HIS A 72 -11.046 1.275 1.253 1.00 0.00 C ATOM 1154 O HIS A 72 -10.236 1.266 2.180 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.104 3.454 1.880 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.342 4.163 2.336 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.321 4.599 1.469 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.757 4.511 3.576 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.285 5.186 2.157 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.967 5.145 3.438 1.00 0.00 N ATOM 0 H HIS A 72 -13.302 1.700 3.220 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.823 2.089 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.394 3.412 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.634 4.034 1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.234 4.325 4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.180 5.625 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.529 5.523 4.201 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.839 0.639 0.104 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.620 -0.123 -0.138 1.00 0.00 C ATOM 1171 C VAL A 73 -9.085 0.127 -1.544 1.00 0.00 C ATOM 1172 O VAL A 73 -9.840 0.121 -2.517 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.855 -1.634 0.048 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -8.542 -2.395 -0.048 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -10.542 -1.905 1.378 1.00 0.00 C ATOM 0 H VAL A 73 -11.500 0.637 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.886 0.216 0.593 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.508 -1.984 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.728 -3.461 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.094 -2.225 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.861 -2.045 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.701 -2.977 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.915 -1.541 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.503 -1.391 1.402 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.778 0.346 -1.644 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.142 0.599 -2.931 1.00 0.00 C ATOM 1187 C PHE A 74 -6.076 -0.452 -3.227 1.00 0.00 C ATOM 1188 O PHE A 74 -5.242 -0.761 -2.377 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.516 1.996 -2.949 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.496 2.209 -1.867 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.892 2.449 -0.561 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.142 2.170 -2.156 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.956 2.647 0.436 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.201 2.366 -1.163 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.608 2.604 0.135 1.00 0.00 C ATOM 0 H PHE A 74 -7.139 0.353 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.908 0.542 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.046 2.163 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.305 2.741 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.944 2.482 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.818 1.984 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.278 2.835 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.148 2.333 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.875 2.756 0.913 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.111 -0.997 -4.438 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.148 -2.012 -4.847 1.00 0.00 C ATOM 1207 C ALA A 75 -3.990 -1.390 -5.620 1.00 0.00 C ATOM 1208 O ALA A 75 -4.196 -0.541 -6.487 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.833 -3.080 -5.687 1.00 0.00 C ATOM 0 H ALA A 75 -6.796 -0.753 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.742 -2.477 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.103 -3.832 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.622 -3.553 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.266 -2.621 -6.576 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.774 -1.818 -5.299 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.583 -1.303 -5.964 1.00 0.00 C ATOM 1217 C ILE A 76 -0.988 -2.342 -6.908 1.00 0.00 C ATOM 1218 O ILE A 76 -0.528 -3.398 -6.476 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.510 -0.877 -4.945 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.019 0.286 -4.091 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.776 -0.492 -5.661 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.097 0.644 -2.946 1.00 0.00 C ATOM 0 H ILE A 76 -2.587 -2.520 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.894 -0.430 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.299 -1.720 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.153 1.161 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.000 0.030 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.525 -0.193 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.145 -1.345 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.580 0.339 -6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.521 1.476 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.017 -0.217 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.878 0.932 -3.340 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.999 -2.033 -8.201 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.460 -2.940 -9.208 1.00 0.00 C ATOM 1236 C PHE A 77 0.745 -2.319 -9.909 1.00 0.00 C ATOM 1237 O PHE A 77 0.940 -1.105 -9.872 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.537 -3.293 -10.236 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.847 -2.173 -11.188 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.087 -1.987 -12.331 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.900 -1.307 -10.939 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.370 -0.957 -13.208 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.188 -0.275 -11.813 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.422 -0.101 -12.949 1.00 0.00 C ATOM 0 H PHE A 77 -1.375 -1.162 -8.576 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.136 -3.851 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.213 -4.164 -10.805 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.450 -3.577 -9.712 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.264 -2.654 -12.539 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.502 -1.440 -10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.769 -0.822 -14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.011 0.394 -11.608 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.646 0.704 -13.634 1.00 0.00 H new ATOM 1254 N ASN A 78 1.550 -3.162 -10.547 1.00 0.00 N ATOM 1255 CA ASN A 78 2.737 -2.697 -11.256 1.00 0.00 C ATOM 1256 C ASN A 78 2.422 -2.427 -12.725 1.00 0.00 C ATOM 1257 O ASN A 78 2.191 -3.354 -13.502 1.00 0.00 O ATOM 1258 CB ASN A 78 3.860 -3.729 -11.145 1.00 0.00 C ATOM 1259 CG ASN A 78 4.989 -3.463 -12.122 1.00 0.00 C ATOM 1260 OD1 ASN A 78 4.952 -3.912 -13.268 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.001 -2.730 -11.671 1.00 0.00 N ATOM 0 H ASN A 78 1.402 -4.170 -10.588 1.00 0.00 H new ATOM 0 HA ASN A 78 3.063 -1.765 -10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.254 -3.725 -10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.454 -4.724 -11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.790 -2.519 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.989 -2.379 -10.714 1.00 0.00 H new ATOM 1268 N THR A 79 2.416 -1.152 -13.098 1.00 0.00 N ATOM 1269 CA THR A 79 2.130 -0.759 -14.473 1.00 0.00 C ATOM 1270 C THR A 79 3.082 -1.440 -15.449 1.00 0.00 C ATOM 1271 O THR A 79 2.672 -1.891 -16.518 1.00 0.00 O ATOM 1272 CB THR A 79 2.231 0.767 -14.654 1.00 0.00 C ATOM 1273 OG1 THR A 79 3.595 1.186 -14.527 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.375 1.492 -13.627 1.00 0.00 C ATOM 0 H THR A 79 2.606 -0.373 -12.468 1.00 0.00 H new ATOM 0 HA THR A 79 1.109 -1.075 -14.686 1.00 0.00 H new ATOM 0 HB THR A 79 1.865 1.017 -15.650 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.651 2.157 -14.645 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.463 2.568 -13.775 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.333 1.193 -13.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.714 1.235 -12.624 1.00 0.00 H new ATOM 1282 N GLU A 80 4.356 -1.512 -15.073 1.00 0.00 N ATOM 1283 CA GLU A 80 5.366 -2.138 -15.917 1.00 0.00 C ATOM 1284 C GLU A 80 5.013 -3.596 -16.197 1.00 0.00 C ATOM 1285 O GLU A 80 3.976 -4.090 -15.755 1.00 0.00 O ATOM 1286 CB GLU A 80 6.742 -2.054 -15.252 1.00 0.00 C ATOM 1287 CG GLU A 80 7.252 -0.632 -15.087 1.00 0.00 C ATOM 1288 CD GLU A 80 7.754 -0.038 -16.389 1.00 0.00 C ATOM 1289 OE1 GLU A 80 7.055 -0.179 -17.414 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.847 0.567 -16.383 1.00 0.00 O ATOM 0 H GLU A 80 4.712 -1.145 -14.190 1.00 0.00 H new ATOM 0 HA GLU A 80 5.395 -1.600 -16.865 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.692 -2.529 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.459 -2.622 -15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.452 -0.007 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.058 -0.622 -14.353 1.00 0.00 H new ATOM 1352 N VAL A 84 4.549 -7.434 -8.473 1.00 0.00 N ATOM 1353 CA VAL A 84 4.703 -6.526 -7.342 1.00 0.00 C ATOM 1354 C VAL A 84 5.187 -7.271 -6.103 1.00 0.00 C ATOM 1355 O VAL A 84 6.353 -7.171 -5.721 1.00 0.00 O ATOM 1356 CB VAL A 84 3.381 -5.809 -7.014 1.00 0.00 C ATOM 1357 CG1 VAL A 84 3.461 -5.137 -5.651 1.00 0.00 C ATOM 1358 CG2 VAL A 84 3.041 -4.796 -8.097 1.00 0.00 C ATOM 0 HA VAL A 84 5.447 -5.784 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 84 2.584 -6.552 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.517 -4.635 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.654 -5.889 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.269 -4.405 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.103 -4.299 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.838 -4.055 -8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.938 -5.307 -9.054 1.00 0.00 H new ATOM 1368 N TYR A 85 4.283 -8.017 -5.478 1.00 0.00 N ATOM 1369 CA TYR A 85 4.616 -8.777 -4.279 1.00 0.00 C ATOM 1370 C TYR A 85 5.153 -10.158 -4.642 1.00 0.00 C ATOM 1371 O TYR A 85 5.277 -10.500 -5.818 1.00 0.00 O ATOM 1372 CB TYR A 85 3.387 -8.916 -3.379 1.00 0.00 C ATOM 1373 CG TYR A 85 3.724 -9.115 -1.919 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.417 -8.142 -1.207 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.352 -10.274 -1.251 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.728 -8.320 0.127 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.658 -10.460 0.083 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.346 -9.480 0.768 1.00 0.00 C ATOM 1379 OH TYR A 85 4.654 -9.661 2.097 1.00 0.00 O ATOM 0 H TYR A 85 3.314 -8.112 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 85 5.393 -8.234 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.769 -8.024 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.789 -9.760 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.717 -7.232 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.814 -11.044 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.268 -7.555 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.360 -11.368 0.587 1.00 0.00 H new ATOM 0 HH TYR A 85 4.313 -10.529 2.397 1.00 0.00 H new ATOM 1389 N LYS A 86 5.470 -10.949 -3.622 1.00 0.00 N ATOM 1390 CA LYS A 86 5.992 -12.294 -3.830 1.00 0.00 C ATOM 1391 C LYS A 86 5.129 -13.065 -4.823 1.00 0.00 C ATOM 1392 O LYS A 86 5.591 -13.444 -5.899 1.00 0.00 O ATOM 1393 CB LYS A 86 6.058 -13.049 -2.501 1.00 0.00 C ATOM 1394 CG LYS A 86 7.253 -12.670 -1.644 1.00 0.00 C ATOM 1395 CD LYS A 86 6.949 -11.470 -0.763 1.00 0.00 C ATOM 1396 CE LYS A 86 7.960 -11.336 0.366 1.00 0.00 C ATOM 1397 NZ LYS A 86 7.780 -12.393 1.399 1.00 0.00 N ATOM 0 H LYS A 86 5.374 -10.681 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 86 6.998 -12.207 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.144 -12.859 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.091 -14.120 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.538 -13.517 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.105 -12.445 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.955 -10.563 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.947 -11.568 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.969 -11.394 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.859 -10.354 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.301 -12.130 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.769 -12.491 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.144 -13.298 1.037 1.00 0.00 H new ATOM 1411 N ASP A 87 3.873 -13.293 -4.455 1.00 0.00 N ATOM 1412 CA ASP A 87 2.944 -14.017 -5.315 1.00 0.00 C ATOM 1413 C ASP A 87 1.620 -13.269 -5.436 1.00 0.00 C ATOM 1414 O ASP A 87 0.546 -13.869 -5.361 1.00 0.00 O ATOM 1415 CB ASP A 87 2.700 -15.425 -4.768 1.00 0.00 C ATOM 1416 CG ASP A 87 2.570 -15.445 -3.258 1.00 0.00 C ATOM 1417 OD1 ASP A 87 3.611 -15.363 -2.572 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.428 -15.541 -2.762 1.00 0.00 O ATOM 0 H ASP A 87 3.475 -12.987 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 87 3.390 -14.093 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.792 -15.832 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.522 -16.075 -5.068 1.00 0.00 H new ATOM 1423 N LEU A 88 1.703 -11.956 -5.622 1.00 0.00 N ATOM 1424 CA LEU A 88 0.511 -11.125 -5.753 1.00 0.00 C ATOM 1425 C LEU A 88 0.707 -10.057 -6.824 1.00 0.00 C ATOM 1426 O LEU A 88 1.651 -9.269 -6.763 1.00 0.00 O ATOM 1427 CB LEU A 88 0.176 -10.466 -4.414 1.00 0.00 C ATOM 1428 CG LEU A 88 0.216 -11.379 -3.187 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.143 -10.559 -1.909 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.918 -12.391 -3.239 1.00 0.00 C ATOM 0 H LEU A 88 2.583 -11.444 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.318 -11.766 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.873 -9.643 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.821 -10.031 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 88 1.161 -11.922 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.173 -11.225 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.990 -9.874 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.786 -9.989 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.874 -13.032 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.873 -11.866 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.820 -13.001 -4.137 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.193 -10.035 -7.802 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.119 -9.063 -8.886 1.00 0.00 C ATOM 1444 C ARG A 89 -0.371 -7.650 -8.367 1.00 0.00 C ATOM 1445 O ARG A 89 0.138 -6.676 -8.921 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.136 -9.405 -9.976 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.970 -8.582 -11.243 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.443 -9.346 -12.470 1.00 0.00 C ATOM 1449 NE ARG A 89 -0.915 -8.777 -13.707 1.00 0.00 N ATOM 1450 CZ ARG A 89 -1.236 -9.222 -14.917 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.078 -10.237 -15.051 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -0.713 -8.652 -15.995 1.00 0.00 N ATOM 0 H ARG A 89 -0.981 -10.679 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 89 0.885 -9.103 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.047 -10.462 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.142 -9.254 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.534 -7.654 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.078 -8.308 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.134 -10.388 -12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.532 -9.339 -12.504 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.264 -7.995 -13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.481 -10.678 -14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.323 -10.577 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.064 -7.872 -15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.960 -8.994 -16.924 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.158 -7.548 -7.301 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.478 -6.255 -6.709 1.00 0.00 C ATOM 1468 C GLN A 90 -1.699 -6.384 -5.205 1.00 0.00 C ATOM 1469 O GLN A 90 -2.283 -7.362 -4.736 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.723 -5.661 -7.370 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.954 -6.546 -7.254 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.957 -6.298 -8.363 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.711 -6.627 -9.524 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.097 -5.715 -8.011 1.00 0.00 N ATOM 0 H GLN A 90 -1.586 -8.345 -6.830 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.633 -5.588 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.938 -4.693 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.513 -5.481 -8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.648 -7.592 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.433 -6.372 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.259 -5.459 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.810 -5.523 -8.715 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.228 -5.393 -4.456 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.375 -5.397 -3.005 1.00 0.00 C ATOM 1485 C ILE A 91 -2.524 -4.495 -2.567 1.00 0.00 C ATOM 1486 O ILE A 91 -2.502 -3.288 -2.804 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.081 -4.937 -2.307 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.072 -5.883 -2.649 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.288 -4.868 -0.802 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.407 -5.433 -2.097 1.00 0.00 C ATOM 0 H ILE A 91 -0.742 -4.578 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.591 -6.425 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 91 0.174 -3.940 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.844 -6.876 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.148 -5.973 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.635 -4.542 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.085 -4.159 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.563 -5.854 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.178 -6.151 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.658 -4.454 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.349 -5.370 -1.010 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.524 -5.090 -1.925 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.682 -4.339 -1.453 1.00 0.00 C ATOM 1504 C GLU A 92 -4.418 -3.746 -0.072 1.00 0.00 C ATOM 1505 O GLU A 92 -3.723 -4.343 0.751 1.00 0.00 O ATOM 1506 CB GLU A 92 -5.917 -5.240 -1.406 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.336 -5.770 -2.767 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.221 -6.998 -2.668 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.180 -6.975 -1.868 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -6.954 -7.980 -3.391 1.00 0.00 O ATOM 0 H GLU A 92 -3.556 -6.089 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.864 -3.522 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.717 -6.082 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.747 -4.683 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.866 -4.988 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.446 -6.014 -3.347 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.979 -2.567 0.176 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.805 -1.892 1.457 1.00 0.00 C ATOM 1519 C LEU A 93 -6.112 -1.254 1.918 1.00 0.00 C ATOM 1520 O LEU A 93 -6.707 -0.448 1.204 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.714 -0.824 1.350 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.369 -1.293 0.794 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.516 -0.102 0.386 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.638 -2.150 1.817 1.00 0.00 C ATOM 0 H LEU A 93 -5.558 -2.059 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.505 -2.637 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.084 -0.017 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.548 -0.402 2.341 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.556 -1.901 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.563 -0.455 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.035 0.471 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.338 0.532 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.683 -2.475 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.463 -1.567 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.244 -3.023 2.060 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.552 -1.621 3.117 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.786 -1.082 3.676 1.00 0.00 C ATOM 1538 C ALA A 94 -7.496 0.036 4.670 1.00 0.00 C ATOM 1539 O ALA A 94 -6.359 0.207 5.113 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.590 -2.188 4.343 1.00 0.00 C ATOM 0 H ALA A 94 -6.072 -2.289 3.720 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.373 -0.663 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.509 -1.772 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.837 -2.953 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.001 -2.633 5.145 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.529 0.796 5.017 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.384 1.900 5.959 1.00 0.00 C ATOM 1548 C CYS A 95 -9.516 1.895 6.981 1.00 0.00 C ATOM 1549 O CYS A 95 -10.413 1.054 6.925 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.361 3.235 5.213 1.00 0.00 C ATOM 1551 SG CYS A 95 -9.998 3.938 4.905 1.00 0.00 S ATOM 0 H CYS A 95 -9.476 0.668 4.660 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.440 1.771 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.773 3.950 5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.851 3.097 4.259 1.00 0.00 H new ATOM 0 HG CYS A 95 -10.866 2.978 4.781 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.467 2.839 7.915 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.488 2.943 8.951 1.00 0.00 C ATOM 1559 C ASP A 96 -11.617 3.870 8.510 1.00 0.00 C ATOM 1560 O ASP A 96 -12.784 3.639 8.828 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.873 3.453 10.255 1.00 0.00 C ATOM 1562 CG ASP A 96 -10.908 3.656 11.344 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.749 4.567 11.199 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -10.876 2.904 12.340 1.00 0.00 O ATOM 0 H ASP A 96 -8.731 3.543 7.976 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.902 1.949 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.121 2.743 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.359 4.395 10.066 1.00 0.00 H new ATOM 1569 N SER A 97 -11.261 4.920 7.777 1.00 0.00 N ATOM 1570 CA SER A 97 -12.243 5.885 7.297 1.00 0.00 C ATOM 1571 C SER A 97 -11.748 6.580 6.032 1.00 0.00 C ATOM 1572 O SER A 97 -10.565 6.895 5.907 1.00 0.00 O ATOM 1573 CB SER A 97 -12.541 6.924 8.380 1.00 0.00 C ATOM 1574 OG SER A 97 -12.948 6.301 9.586 1.00 0.00 O ATOM 0 H SER A 97 -10.300 5.124 7.503 1.00 0.00 H new ATOM 0 HA SER A 97 -13.160 5.345 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.653 7.530 8.562 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.323 7.600 8.034 1.00 0.00 H new ATOM 0 HG SER A 97 -12.166 5.920 10.037 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.663 6.815 5.097 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.320 7.472 3.841 1.00 0.00 C ATOM 1582 C GLN A 98 -11.277 8.563 4.065 1.00 0.00 C ATOM 1583 O GLN A 98 -10.407 8.784 3.223 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.571 8.071 3.196 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.276 8.920 1.970 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.203 8.101 0.696 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.007 7.194 0.482 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.237 8.419 -0.157 1.00 0.00 N ATOM 0 H GLN A 98 -13.647 6.560 5.185 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.898 6.723 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.247 7.263 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.093 8.681 3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.050 9.680 1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.331 9.444 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.593 9.179 0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.139 7.904 -1.032 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.372 9.241 5.204 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.437 10.310 5.536 1.00 0.00 C ATOM 1599 C GLU A 99 -9.002 9.890 5.234 1.00 0.00 C ATOM 1600 O GLU A 99 -8.291 10.562 4.486 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.568 10.692 7.012 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.585 11.791 7.268 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.204 13.104 6.611 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -10.173 13.687 7.008 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -11.935 13.547 5.701 1.00 0.00 O ATOM 0 H GLU A 99 -12.086 9.070 5.912 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.681 11.176 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.849 9.808 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.595 11.015 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.559 11.473 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.687 11.943 8.342 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.582 8.775 5.821 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.231 8.264 5.615 1.00 0.00 C ATOM 1614 C ASP A 100 -6.933 8.102 4.127 1.00 0.00 C ATOM 1615 O ASP A 100 -6.023 8.736 3.593 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.055 6.925 6.332 1.00 0.00 C ATOM 1617 CG ASP A 100 -6.808 7.092 7.818 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -7.623 7.765 8.483 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -5.799 6.550 8.317 1.00 0.00 O ATOM 0 H ASP A 100 -9.157 8.207 6.443 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.528 8.985 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.946 6.316 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.220 6.385 5.886 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.705 7.247 3.464 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.523 7.001 2.038 1.00 0.00 C ATOM 1626 C VAL A 101 -7.429 8.310 1.262 1.00 0.00 C ATOM 1627 O VAL A 101 -6.385 8.633 0.694 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.677 6.158 1.463 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.584 6.091 -0.054 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.670 4.763 2.068 1.00 0.00 C ATOM 0 H VAL A 101 -8.462 6.713 3.891 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.589 6.449 1.928 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.620 6.637 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.407 5.492 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.642 7.098 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.636 5.635 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.492 4.181 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.724 4.272 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.789 4.835 3.149 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.524 9.061 1.244 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.565 10.337 0.539 1.00 0.00 C ATOM 1642 C ASP A 102 -7.216 11.043 0.616 1.00 0.00 C ATOM 1643 O ASP A 102 -6.773 11.665 -0.350 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.658 11.232 1.124 1.00 0.00 C ATOM 1645 CG ASP A 102 -10.042 12.363 0.191 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -10.319 12.086 -0.995 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.066 13.526 0.646 1.00 0.00 O ATOM 0 H ASP A 102 -9.396 8.808 1.710 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.791 10.139 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.540 10.629 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.315 11.647 2.072 1.00 0.00 H new ATOM 1652 N SER A 103 -6.566 10.944 1.771 1.00 0.00 N ATOM 1653 CA SER A 103 -5.269 11.578 1.976 1.00 0.00 C ATOM 1654 C SER A 103 -4.152 10.741 1.360 1.00 0.00 C ATOM 1655 O SER A 103 -3.312 11.256 0.622 1.00 0.00 O ATOM 1656 CB SER A 103 -5.006 11.779 3.470 1.00 0.00 C ATOM 1657 OG SER A 103 -4.167 12.898 3.694 1.00 0.00 O ATOM 0 H SER A 103 -6.917 10.430 2.580 1.00 0.00 H new ATOM 0 HA SER A 103 -5.286 12.550 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.952 11.919 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.542 10.884 3.884 1.00 0.00 H new ATOM 0 HG SER A 103 -4.016 13.006 4.656 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.151 9.449 1.668 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.137 8.540 1.144 1.00 0.00 C ATOM 1665 C TRP A 104 -2.989 8.701 -0.365 1.00 0.00 C ATOM 1666 O TRP A 104 -1.880 8.667 -0.897 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.498 7.093 1.483 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.054 6.675 2.852 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.850 6.446 3.938 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.709 6.439 3.282 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.081 6.081 5.017 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.764 6.069 4.640 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.463 6.502 2.652 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.622 5.765 5.376 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.670 6.201 3.384 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.584 5.836 4.734 1.00 0.00 C ATOM 0 H TRP A 104 -4.840 9.007 2.277 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.184 8.789 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.578 6.968 1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.046 6.431 0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.926 6.538 3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.434 5.856 5.947 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.387 6.781 1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.686 5.483 6.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.638 6.248 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.488 5.606 5.279 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.114 8.875 -1.050 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.110 9.042 -2.498 1.00 0.00 C ATOM 1689 C LYS A 105 -3.330 10.290 -2.900 1.00 0.00 C ATOM 1690 O LYS A 105 -2.385 10.217 -3.684 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.544 9.132 -3.026 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.457 8.040 -2.496 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.639 7.804 -3.421 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.322 6.751 -4.472 1.00 0.00 C ATOM 1695 NZ LYS A 105 -8.287 6.791 -5.606 1.00 0.00 N ATOM 0 H LYS A 105 -5.041 8.904 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.621 8.172 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.960 10.103 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.525 9.082 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.892 7.115 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.818 8.316 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.503 7.488 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.911 8.739 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.311 6.907 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.342 5.762 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.037 6.059 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.248 6.617 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.250 7.726 -6.060 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.733 11.434 -2.356 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.069 12.697 -2.655 1.00 0.00 C ATOM 1711 C ALA A 106 -1.582 12.628 -2.325 1.00 0.00 C ATOM 1712 O ALA A 106 -0.749 13.174 -3.048 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.729 13.834 -1.890 1.00 0.00 C ATOM 0 H ALA A 106 -4.516 11.512 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.168 12.887 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.223 14.771 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.778 13.906 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.660 13.641 -0.820 1.00 0.00 H new ATOM 1719 N SER A 107 -1.255 11.952 -1.228 1.00 0.00 N ATOM 1720 CA SER A 107 0.132 11.815 -0.799 1.00 0.00 C ATOM 1721 C SER A 107 0.948 11.050 -1.837 1.00 0.00 C ATOM 1722 O SER A 107 2.115 11.359 -2.077 1.00 0.00 O ATOM 1723 CB SER A 107 0.202 11.100 0.551 1.00 0.00 C ATOM 1724 OG SER A 107 -0.048 9.712 0.407 1.00 0.00 O ATOM 0 H SER A 107 -1.932 11.491 -0.620 1.00 0.00 H new ATOM 0 HA SER A 107 0.555 12.814 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.186 11.251 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.527 11.535 1.235 1.00 0.00 H new ATOM 0 HG SER A 107 -0.718 9.571 -0.294 1.00 0.00 H new ATOM 1730 N PHE A 108 0.325 10.049 -2.449 1.00 0.00 N ATOM 1731 CA PHE A 108 0.992 9.237 -3.460 1.00 0.00 C ATOM 1732 C PHE A 108 1.429 10.094 -4.644 1.00 0.00 C ATOM 1733 O PHE A 108 2.480 9.859 -5.242 1.00 0.00 O ATOM 1734 CB PHE A 108 0.065 8.118 -3.940 1.00 0.00 C ATOM 1735 CG PHE A 108 0.168 6.862 -3.123 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.342 6.127 -3.104 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.909 6.417 -2.374 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.440 4.971 -2.353 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.818 5.261 -1.621 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.359 4.538 -1.610 1.00 0.00 C ATOM 0 H PHE A 108 -0.641 9.780 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 108 1.879 8.794 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.965 8.475 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.297 7.886 -4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.190 6.461 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.831 6.980 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.361 4.407 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.665 4.924 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.434 3.636 -1.021 1.00 0.00 H new ATOM 1750 N LEU A 109 0.614 11.089 -4.979 1.00 0.00 N ATOM 1751 CA LEU A 109 0.915 11.982 -6.092 1.00 0.00 C ATOM 1752 C LEU A 109 2.261 12.669 -5.891 1.00 0.00 C ATOM 1753 O LEU A 109 3.112 12.664 -6.781 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.188 13.031 -6.242 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.365 12.645 -7.139 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.463 11.980 -6.323 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.905 13.867 -7.867 1.00 0.00 C ATOM 0 H LEU A 109 -0.260 11.297 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 109 0.966 11.384 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.575 13.266 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.258 13.944 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.011 11.931 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.292 11.712 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.070 11.080 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.815 12.670 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.742 13.573 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.243 14.605 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.118 14.300 -8.484 1.00 0.00 H new ATOM 1769 N ARG A 110 2.450 13.258 -4.715 1.00 0.00 N ATOM 1770 CA ARG A 110 3.693 13.949 -4.396 1.00 0.00 C ATOM 1771 C ARG A 110 4.895 13.034 -4.616 1.00 0.00 C ATOM 1772 O ARG A 110 5.973 13.489 -4.994 1.00 0.00 O ATOM 1773 CB ARG A 110 3.672 14.441 -2.948 1.00 0.00 C ATOM 1774 CG ARG A 110 2.769 15.643 -2.726 1.00 0.00 C ATOM 1775 CD ARG A 110 1.355 15.219 -2.364 1.00 0.00 C ATOM 1776 NE ARG A 110 0.509 16.362 -2.030 1.00 0.00 N ATOM 1777 CZ ARG A 110 -0.137 17.088 -2.936 1.00 0.00 C ATOM 1778 NH1 ARG A 110 -0.034 16.792 -4.224 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -0.887 18.113 -2.553 1.00 0.00 N ATOM 0 H ARG A 110 1.757 13.270 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 110 3.783 14.807 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.345 13.627 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.687 14.699 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.178 16.265 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.747 16.254 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.915 14.674 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.388 14.533 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 110 0.409 16.617 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.542 16.005 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.531 17.351 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.968 18.344 -1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.383 18.670 -3.249 1.00 0.00 H new ATOM 1793 N ALA A 111 4.699 11.741 -4.375 1.00 0.00 N ATOM 1794 CA ALA A 111 5.765 10.762 -4.548 1.00 0.00 C ATOM 1795 C ALA A 111 6.080 10.548 -6.025 1.00 0.00 C ATOM 1796 O ALA A 111 7.205 10.208 -6.387 1.00 0.00 O ATOM 1797 CB ALA A 111 5.383 9.444 -3.891 1.00 0.00 C ATOM 0 H ALA A 111 3.812 11.348 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 111 6.662 11.149 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.188 8.722 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.216 9.603 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.471 9.061 -4.348 1.00 0.00 H new ATOM 1803 N GLY A 112 5.077 10.749 -6.874 1.00 0.00 N ATOM 1804 CA GLY A 112 5.267 10.572 -8.302 1.00 0.00 C ATOM 1805 C GLY A 112 4.273 9.598 -8.903 1.00 0.00 C ATOM 1806 O GLY A 112 4.462 9.118 -10.021 1.00 0.00 O ATOM 0 H GLY A 112 4.136 11.031 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.172 11.537 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.280 10.215 -8.489 1.00 0.00 H new ATOM 1810 N VAL A 113 3.212 9.303 -8.159 1.00 0.00 N ATOM 1811 CA VAL A 113 2.185 8.379 -8.625 1.00 0.00 C ATOM 1812 C VAL A 113 0.933 9.127 -9.070 1.00 0.00 C ATOM 1813 O VAL A 113 0.377 8.850 -10.132 1.00 0.00 O ATOM 1814 CB VAL A 113 1.802 7.367 -7.529 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.969 6.236 -8.113 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.049 6.824 -6.847 1.00 0.00 C ATOM 0 H VAL A 113 3.041 9.690 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 113 2.605 7.842 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 113 1.199 7.880 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.708 5.531 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.058 6.644 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.543 5.722 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.760 6.110 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.679 6.326 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.602 7.646 -6.392 1.00 0.00 H new