USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 422 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 96 CYS SG : rot -140:sc= -0.47 USER MOD Set 1.2: A 105 CYS SG : rot 146:sc= 0.447 USER MOD Set 1.3: A 107 ASN : amide:sc= 0.00752 K(o=-4.3,f=-6) USER MOD Set 1.4: A 110 CYS SG : rot 180:sc= -0.187 USER MOD Set 1.5: A 114 HIS : no HD1:sc= -4.09! C(o=-4.3!,f=-6.7!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= -1.04 USER MOD Set 2.2: A 93 MET CE :methyl -164:sc= -0.29 (180deg=-0.999) USER MOD Set 3.1: A 68 CYS SG : rot 130:sc= 1.4 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -1.7 K(o=0.069,f=-3.1!) USER MOD Set 3.3: A 76 CYS SG : rot 180:sc= 0 USER MOD Set 3.4: A 82 CYS SG : rot -130:sc= 0.993 USER MOD Set 3.5: A 86 HIS : no HD1:sc= -0.616 K(o=0.069,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= -1.11 (180deg=-3.24!) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0158 (180deg=-0.177) USER MOD Single : A 81 GLN : amide:sc= -4.25! C(o=-4.2!,f=-7.3!) USER MOD Single : A 90 MET CE :methyl 160:sc= -5.68! (180deg=-6.56!) USER MOD Single : A 91 THR OG1 : rot -76:sc= 0.956 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -86:sc= 0.076 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 63 -9.791 2.190 4.205 1.00 0.00 N ATOM 67 CA GLU A 63 -10.647 1.457 3.279 1.00 0.00 C ATOM 68 C GLU A 63 -10.376 -0.042 3.359 1.00 0.00 C ATOM 69 O GLU A 63 -9.526 -0.492 4.128 1.00 0.00 O ATOM 70 CB GLU A 63 -10.427 1.951 1.847 1.00 0.00 C ATOM 71 CG GLU A 63 -8.969 1.944 1.418 1.00 0.00 C ATOM 72 CD GLU A 63 -8.650 3.039 0.419 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.450 3.237 -0.519 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.601 3.698 0.576 1.00 0.00 O ATOM 0 HA GLU A 63 -11.684 1.637 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.001 1.325 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.819 2.964 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.335 2.063 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.728 0.976 0.980 1.00 0.00 H new ATOM 81 N LYS A 64 -11.106 -0.813 2.559 1.00 0.00 N ATOM 82 CA LYS A 64 -10.946 -2.262 2.537 1.00 0.00 C ATOM 83 C LYS A 64 -9.695 -2.660 1.760 1.00 0.00 C ATOM 84 O LYS A 64 -9.459 -3.841 1.505 1.00 0.00 O ATOM 85 CB LYS A 64 -12.178 -2.922 1.914 1.00 0.00 C ATOM 86 CG LYS A 64 -13.492 -2.422 2.488 1.00 0.00 C ATOM 87 CD LYS A 64 -14.674 -3.206 1.942 1.00 0.00 C ATOM 88 CE LYS A 64 -14.743 -4.600 2.544 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.086 -5.218 2.359 1.00 0.00 N ATOM 0 H LYS A 64 -11.815 -0.458 1.917 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.838 -2.606 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.170 -2.744 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.115 -4.000 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.470 -2.505 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.615 -1.365 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.598 -2.670 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.593 -3.280 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.985 -5.233 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.510 -4.548 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.093 -6.168 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.807 -4.627 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.298 -5.291 1.343 1.00 0.00 H new ATOM 103 N THR A 65 -8.894 -1.666 1.387 1.00 0.00 N ATOM 104 CA THR A 65 -7.668 -1.912 0.640 1.00 0.00 C ATOM 105 C THR A 65 -6.991 -3.198 1.102 1.00 0.00 C ATOM 106 O THR A 65 -6.423 -3.936 0.297 1.00 0.00 O ATOM 107 CB THR A 65 -6.676 -0.743 0.787 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.389 -1.126 0.289 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.555 -0.316 2.242 1.00 0.00 C ATOM 0 H THR A 65 -9.073 -0.683 1.591 1.00 0.00 H new ATOM 0 HA THR A 65 -7.951 -2.009 -0.408 1.00 0.00 H new ATOM 0 HB THR A 65 -7.053 0.099 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.765 -0.377 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.849 0.511 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.530 0.003 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.199 -1.155 2.839 1.00 0.00 H new ATOM 117 N VAL A 66 -7.057 -3.462 2.403 1.00 0.00 N ATOM 118 CA VAL A 66 -6.452 -4.660 2.971 1.00 0.00 C ATOM 119 C VAL A 66 -7.461 -5.800 3.050 1.00 0.00 C ATOM 120 O VAL A 66 -8.635 -5.585 3.352 1.00 0.00 O ATOM 121 CB VAL A 66 -5.888 -4.391 4.379 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.622 -5.699 5.108 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.622 -3.552 4.293 1.00 0.00 C ATOM 0 H VAL A 66 -7.524 -2.862 3.083 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.635 -4.946 2.309 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.630 -3.831 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.224 -5.488 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.552 -6.259 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.899 -6.289 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.237 -3.371 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.872 -4.083 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.849 -2.599 3.814 1.00 0.00 H new ATOM 133 N VAL A 67 -6.996 -7.015 2.777 1.00 0.00 N ATOM 134 CA VAL A 67 -7.857 -8.191 2.818 1.00 0.00 C ATOM 135 C VAL A 67 -7.966 -8.743 4.235 1.00 0.00 C ATOM 136 O VAL A 67 -6.957 -8.983 4.899 1.00 0.00 O ATOM 137 CB VAL A 67 -7.337 -9.300 1.885 1.00 0.00 C ATOM 138 CG1 VAL A 67 -8.135 -10.580 2.081 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.391 -8.845 0.434 1.00 0.00 C ATOM 0 H VAL A 67 -6.027 -7.211 2.525 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.843 -7.874 2.478 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.297 -9.506 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.753 -11.353 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.039 -10.914 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.185 -10.392 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.020 -9.641 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.421 -8.610 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.771 -7.957 0.308 1.00 0.00 H new ATOM 149 N CYS A 68 -9.197 -8.943 4.693 1.00 0.00 N ATOM 150 CA CYS A 68 -9.439 -9.467 6.032 1.00 0.00 C ATOM 151 C CYS A 68 -8.534 -10.661 6.321 1.00 0.00 C ATOM 152 O CYS A 68 -8.344 -11.531 5.470 1.00 0.00 O ATOM 153 CB CYS A 68 -10.905 -9.876 6.184 1.00 0.00 C ATOM 154 SG CYS A 68 -11.454 -10.048 7.913 1.00 0.00 S ATOM 0 H CYS A 68 -10.043 -8.750 4.157 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.212 -8.679 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.531 -9.135 5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.062 -10.823 5.668 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.555 -9.378 8.087 1.00 0.00 H new ATOM 159 N LYS A 69 -7.977 -10.696 7.527 1.00 0.00 N ATOM 160 CA LYS A 69 -7.093 -11.783 7.931 1.00 0.00 C ATOM 161 C LYS A 69 -7.885 -12.923 8.561 1.00 0.00 C ATOM 162 O LYS A 69 -7.398 -14.050 8.662 1.00 0.00 O ATOM 163 CB LYS A 69 -6.041 -11.272 8.917 1.00 0.00 C ATOM 164 CG LYS A 69 -6.630 -10.527 10.103 1.00 0.00 C ATOM 165 CD LYS A 69 -6.621 -9.024 9.878 1.00 0.00 C ATOM 166 CE LYS A 69 -5.266 -8.419 10.209 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.358 -6.953 10.454 1.00 0.00 N ATOM 0 H LYS A 69 -8.122 -9.983 8.242 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.593 -12.162 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.457 -12.117 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.351 -10.612 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.652 -10.864 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.061 -10.765 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.873 -8.809 8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.389 -8.558 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.855 -8.910 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.574 -8.607 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.414 -6.578 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.726 -6.481 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.998 -6.774 11.254 1.00 0.00 H new ATOM 181 N HIS A 70 -9.110 -12.625 8.983 1.00 0.00 N ATOM 182 CA HIS A 70 -9.971 -13.626 9.602 1.00 0.00 C ATOM 183 C HIS A 70 -10.651 -14.488 8.543 1.00 0.00 C ATOM 184 O HIS A 70 -10.647 -15.716 8.631 1.00 0.00 O ATOM 185 CB HIS A 70 -11.024 -12.951 10.481 1.00 0.00 C ATOM 186 CG HIS A 70 -10.456 -11.936 11.424 1.00 0.00 C ATOM 187 ND1 HIS A 70 -9.876 -10.758 11.002 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.384 -11.926 12.776 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.469 -10.069 12.053 1.00 0.00 C ATOM 190 NE2 HIS A 70 -9.766 -10.756 13.142 1.00 0.00 N ATOM 0 H HIS A 70 -9.529 -11.698 8.907 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.349 -14.270 10.224 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.763 -12.468 9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.549 -13.714 11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.745 -12.695 13.442 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.977 -9.108 12.027 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.568 -10.464 14.099 1.00 0.00 H new ATOM 198 N TRP A 71 -11.234 -13.837 7.543 1.00 0.00 N ATOM 199 CA TRP A 71 -11.919 -14.544 6.467 1.00 0.00 C ATOM 200 C TRP A 71 -10.981 -15.528 5.779 1.00 0.00 C ATOM 201 O TRP A 71 -11.387 -16.628 5.401 1.00 0.00 O ATOM 202 CB TRP A 71 -12.472 -13.548 5.446 1.00 0.00 C ATOM 203 CG TRP A 71 -12.758 -14.165 4.110 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.870 -14.872 3.755 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.916 -14.129 2.953 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.771 -15.279 2.446 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.581 -14.835 1.931 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.665 -13.568 2.679 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -12.036 -14.995 0.660 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -10.126 -13.728 1.416 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.811 -14.435 0.420 1.00 0.00 C ATOM 0 H TRP A 71 -11.246 -12.821 7.455 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.746 -15.104 6.903 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.388 -13.107 5.838 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.757 -12.735 5.318 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.705 -15.081 4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.470 -15.823 1.940 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.130 -13.020 3.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.561 -15.542 -0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.160 -13.300 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.363 -14.540 -0.557 1.00 0.00 H new ATOM 222 N LEU A 72 -9.724 -15.128 5.619 1.00 0.00 N ATOM 223 CA LEU A 72 -8.727 -15.976 4.976 1.00 0.00 C ATOM 224 C LEU A 72 -8.749 -17.384 5.563 1.00 0.00 C ATOM 225 O LEU A 72 -8.827 -18.371 4.831 1.00 0.00 O ATOM 226 CB LEU A 72 -7.332 -15.368 5.134 1.00 0.00 C ATOM 227 CG LEU A 72 -7.025 -14.157 4.252 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.719 -13.504 4.678 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.966 -14.565 2.787 1.00 0.00 C ATOM 0 H LEU A 72 -9.371 -14.221 5.926 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.971 -16.040 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.200 -15.076 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.594 -16.142 4.924 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.828 -13.430 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.517 -12.644 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.797 -13.176 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.905 -14.224 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.747 -13.691 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.183 -15.311 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.926 -14.986 2.488 1.00 0.00 H new ATOM 241 N ARG A 73 -8.682 -17.468 6.888 1.00 0.00 N ATOM 242 CA ARG A 73 -8.696 -18.755 7.573 1.00 0.00 C ATOM 243 C ARG A 73 -10.123 -19.175 7.913 1.00 0.00 C ATOM 244 O ARG A 73 -10.340 -20.058 8.742 1.00 0.00 O ATOM 245 CB ARG A 73 -7.855 -18.686 8.849 1.00 0.00 C ATOM 246 CG ARG A 73 -6.385 -19.000 8.628 1.00 0.00 C ATOM 247 CD ARG A 73 -6.172 -20.470 8.303 1.00 0.00 C ATOM 248 NE ARG A 73 -6.241 -20.729 6.867 1.00 0.00 N ATOM 249 CZ ARG A 73 -5.255 -20.449 6.022 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.130 -19.906 6.467 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.393 -20.714 4.729 1.00 0.00 N ATOM 0 H ARG A 73 -8.618 -16.661 7.508 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.267 -19.500 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.944 -17.688 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.261 -19.385 9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.999 -18.387 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.818 -18.738 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.201 -20.788 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.926 -21.067 8.816 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.093 -21.148 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.020 -19.702 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.375 -19.692 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.257 -21.133 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.636 -20.499 4.081 1.00 0.00 H new ATOM 265 N GLY A 74 -11.092 -18.535 7.266 1.00 0.00 N ATOM 266 CA GLY A 74 -12.486 -18.855 7.514 1.00 0.00 C ATOM 267 C GLY A 74 -12.888 -18.619 8.956 1.00 0.00 C ATOM 268 O GLY A 74 -13.506 -19.478 9.586 1.00 0.00 O ATOM 0 H GLY A 74 -10.937 -17.801 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.116 -18.251 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.667 -19.898 7.256 1.00 0.00 H new ATOM 272 N LEU A 75 -12.535 -17.451 9.483 1.00 0.00 N ATOM 273 CA LEU A 75 -12.862 -17.104 10.862 1.00 0.00 C ATOM 274 C LEU A 75 -13.654 -15.802 10.922 1.00 0.00 C ATOM 275 O LEU A 75 -13.602 -15.076 11.916 1.00 0.00 O ATOM 276 CB LEU A 75 -11.584 -16.975 11.692 1.00 0.00 C ATOM 277 CG LEU A 75 -10.701 -18.222 11.763 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.306 -17.861 12.248 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.329 -19.269 12.671 1.00 0.00 C ATOM 0 H LEU A 75 -12.023 -16.729 8.977 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.478 -17.902 11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.991 -16.157 11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.861 -16.692 12.708 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.617 -18.642 10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.692 -18.761 12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.855 -17.147 11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.370 -17.416 13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.687 -20.149 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.443 -18.859 13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.307 -19.550 12.280 1.00 0.00 H new ATOM 291 N CYS A 76 -14.389 -15.512 9.854 1.00 0.00 N ATOM 292 CA CYS A 76 -15.195 -14.299 9.785 1.00 0.00 C ATOM 293 C CYS A 76 -16.619 -14.616 9.338 1.00 0.00 C ATOM 294 O CYS A 76 -16.832 -15.414 8.425 1.00 0.00 O ATOM 295 CB CYS A 76 -14.559 -13.293 8.823 1.00 0.00 C ATOM 296 SG CYS A 76 -14.924 -11.553 9.218 1.00 0.00 S ATOM 0 H CYS A 76 -14.443 -16.101 9.023 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.235 -13.863 10.783 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.478 -13.436 8.827 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.905 -13.505 7.811 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.341 -10.780 8.351 1.00 0.00 H new ATOM 301 N LYS A 77 -17.591 -13.985 9.989 1.00 0.00 N ATOM 302 CA LYS A 77 -18.995 -14.197 9.659 1.00 0.00 C ATOM 303 C LYS A 77 -19.660 -12.889 9.243 1.00 0.00 C ATOM 304 O LYS A 77 -20.862 -12.702 9.436 1.00 0.00 O ATOM 305 CB LYS A 77 -19.736 -14.799 10.856 1.00 0.00 C ATOM 306 CG LYS A 77 -19.677 -16.316 10.907 1.00 0.00 C ATOM 307 CD LYS A 77 -18.405 -16.803 11.581 1.00 0.00 C ATOM 308 CE LYS A 77 -18.467 -16.616 13.089 1.00 0.00 C ATOM 309 NZ LYS A 77 -17.962 -15.277 13.502 1.00 0.00 N ATOM 0 H LYS A 77 -17.432 -13.323 10.748 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.044 -14.892 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.312 -14.396 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.779 -14.485 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.544 -16.697 11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.730 -16.717 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.250 -17.857 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.549 -16.260 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.496 -16.737 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.878 -17.393 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.302 -15.385 14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.469 -14.830 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.762 -14.679 13.794 1.00 0.00 H new ATOM 323 N LYS A 78 -18.872 -11.987 8.669 1.00 0.00 N ATOM 324 CA LYS A 78 -19.383 -10.697 8.221 1.00 0.00 C ATOM 325 C LYS A 78 -19.624 -10.699 6.715 1.00 0.00 C ATOM 326 O LYS A 78 -20.660 -10.234 6.242 1.00 0.00 O ATOM 327 CB LYS A 78 -18.403 -9.581 8.590 1.00 0.00 C ATOM 328 CG LYS A 78 -18.057 -9.539 10.068 1.00 0.00 C ATOM 329 CD LYS A 78 -17.161 -8.357 10.398 1.00 0.00 C ATOM 330 CE LYS A 78 -17.932 -7.046 10.359 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.896 -6.935 11.489 1.00 0.00 N ATOM 0 H LYS A 78 -17.875 -12.126 8.503 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.334 -10.518 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.486 -9.709 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.831 -8.622 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -18.973 -9.477 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.558 -10.465 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.725 -8.495 11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.335 -8.316 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.232 -6.212 10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.470 -6.969 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -19.212 -5.948 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.717 -7.546 11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.433 -7.232 12.371 1.00 0.00 H new ATOM 345 N GLY A 79 -18.660 -11.229 5.967 1.00 0.00 N ATOM 346 CA GLY A 79 -18.788 -11.283 4.523 1.00 0.00 C ATOM 347 C GLY A 79 -18.684 -9.914 3.879 1.00 0.00 C ATOM 348 O GLY A 79 -17.616 -9.301 3.878 1.00 0.00 O ATOM 0 H GLY A 79 -17.794 -11.621 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.012 -11.932 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.747 -11.731 4.263 1.00 0.00 H new ATOM 352 N ASP A 80 -19.794 -9.435 3.330 1.00 0.00 N ATOM 353 CA ASP A 80 -19.823 -8.130 2.680 1.00 0.00 C ATOM 354 C ASP A 80 -19.967 -7.013 3.709 1.00 0.00 C ATOM 355 O ASP A 80 -19.918 -5.832 3.367 1.00 0.00 O ATOM 356 CB ASP A 80 -20.972 -8.063 1.673 1.00 0.00 C ATOM 357 CG ASP A 80 -20.784 -6.959 0.652 1.00 0.00 C ATOM 358 OD1 ASP A 80 -19.625 -6.697 0.269 1.00 0.00 O ATOM 359 OD2 ASP A 80 -21.796 -6.356 0.236 1.00 0.00 O ATOM 0 H ASP A 80 -20.686 -9.930 3.322 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.879 -7.994 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.056 -9.020 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.910 -7.905 2.206 1.00 0.00 H new ATOM 364 N GLN A 81 -20.145 -7.395 4.969 1.00 0.00 N ATOM 365 CA GLN A 81 -20.298 -6.426 6.047 1.00 0.00 C ATOM 366 C GLN A 81 -18.949 -6.092 6.675 1.00 0.00 C ATOM 367 O GLN A 81 -18.777 -5.031 7.275 1.00 0.00 O ATOM 368 CB GLN A 81 -21.252 -6.965 7.115 1.00 0.00 C ATOM 369 CG GLN A 81 -22.677 -7.150 6.620 1.00 0.00 C ATOM 370 CD GLN A 81 -22.740 -7.807 5.255 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.838 -7.130 4.231 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.683 -9.133 5.233 1.00 0.00 N ATOM 0 H GLN A 81 -20.187 -8.369 5.269 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.717 -5.513 5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.875 -7.921 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.257 -6.282 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.231 -7.756 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.171 -6.179 6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.602 -9.655 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.720 -9.630 4.343 1.00 0.00 H new ATOM 381 N CYS A 82 -17.994 -7.006 6.533 1.00 0.00 N ATOM 382 CA CYS A 82 -16.660 -6.810 7.087 1.00 0.00 C ATOM 383 C CYS A 82 -16.112 -5.435 6.714 1.00 0.00 C ATOM 384 O CYS A 82 -16.649 -4.760 5.836 1.00 0.00 O ATOM 385 CB CYS A 82 -15.712 -7.902 6.585 1.00 0.00 C ATOM 386 SG CYS A 82 -14.150 -8.015 7.516 1.00 0.00 S ATOM 0 H CYS A 82 -18.120 -7.889 6.039 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.732 -6.870 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.223 -8.863 6.635 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.484 -7.717 5.535 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.150 -8.023 6.686 1.00 0.00 H new ATOM 391 N GLU A 83 -15.041 -5.028 7.388 1.00 0.00 N ATOM 392 CA GLU A 83 -14.422 -3.734 7.128 1.00 0.00 C ATOM 393 C GLU A 83 -13.199 -3.887 6.228 1.00 0.00 C ATOM 394 O GLU A 83 -12.506 -2.913 5.933 1.00 0.00 O ATOM 395 CB GLU A 83 -14.020 -3.063 8.443 1.00 0.00 C ATOM 396 CG GLU A 83 -13.620 -4.045 9.530 1.00 0.00 C ATOM 397 CD GLU A 83 -12.667 -3.439 10.542 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.016 -2.426 10.210 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.571 -3.977 11.665 1.00 0.00 O ATOM 0 H GLU A 83 -14.584 -5.575 8.118 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.152 -3.107 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.189 -2.384 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.852 -2.457 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.515 -4.396 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.152 -4.917 9.073 1.00 0.00 H new ATOM 406 N PHE A 84 -12.941 -5.116 5.794 1.00 0.00 N ATOM 407 CA PHE A 84 -11.802 -5.398 4.929 1.00 0.00 C ATOM 408 C PHE A 84 -12.232 -6.207 3.709 1.00 0.00 C ATOM 409 O PHE A 84 -13.350 -6.722 3.654 1.00 0.00 O ATOM 410 CB PHE A 84 -10.722 -6.157 5.703 1.00 0.00 C ATOM 411 CG PHE A 84 -10.093 -5.350 6.803 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.651 -5.330 8.071 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.945 -4.611 6.568 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.075 -4.589 9.086 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.364 -3.868 7.579 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.931 -3.856 8.839 1.00 0.00 C ATOM 0 H PHE A 84 -13.506 -5.933 6.027 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.394 -4.447 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.159 -7.060 6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.945 -6.477 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.547 -5.900 8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.499 -4.615 5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.519 -4.583 10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.468 -3.298 7.384 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.480 -3.274 9.629 1.00 0.00 H new ATOM 426 N LEU A 85 -11.339 -6.314 2.732 1.00 0.00 N ATOM 427 CA LEU A 85 -11.625 -7.059 1.511 1.00 0.00 C ATOM 428 C LEU A 85 -11.584 -8.562 1.769 1.00 0.00 C ATOM 429 O LEU A 85 -10.706 -9.058 2.476 1.00 0.00 O ATOM 430 CB LEU A 85 -10.621 -6.691 0.418 1.00 0.00 C ATOM 431 CG LEU A 85 -10.872 -5.367 -0.305 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.588 -4.852 -0.938 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.958 -5.531 -1.357 1.00 0.00 C ATOM 0 H LEU A 85 -10.410 -5.894 2.761 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.628 -6.792 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.626 -6.656 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.611 -7.490 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.211 -4.634 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.786 -3.909 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.838 -4.695 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.218 -5.583 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.123 -4.579 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.648 -6.279 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.883 -5.853 -0.878 1.00 0.00 H new ATOM 445 N HIS A 86 -12.539 -9.283 1.189 1.00 0.00 N ATOM 446 CA HIS A 86 -12.611 -10.730 1.353 1.00 0.00 C ATOM 447 C HIS A 86 -12.184 -11.444 0.075 1.00 0.00 C ATOM 448 O HIS A 86 -12.581 -12.582 -0.174 1.00 0.00 O ATOM 449 CB HIS A 86 -14.030 -11.152 1.737 1.00 0.00 C ATOM 450 CG HIS A 86 -14.302 -11.070 3.207 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.338 -11.744 3.820 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.666 -10.389 4.189 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.328 -11.480 5.114 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.323 -10.660 5.364 1.00 0.00 N ATOM 0 H HIS A 86 -13.273 -8.888 0.601 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.927 -11.014 2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.744 -10.520 1.208 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.199 -12.175 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.803 -9.751 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.023 -11.868 5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.075 -10.288 6.281 1.00 0.00 H new ATOM 462 N GLU A 87 -11.373 -10.768 -0.733 1.00 0.00 N ATOM 463 CA GLU A 87 -10.894 -11.338 -1.986 1.00 0.00 C ATOM 464 C GLU A 87 -9.368 -11.357 -2.028 1.00 0.00 C ATOM 465 O GLU A 87 -8.715 -10.373 -1.681 1.00 0.00 O ATOM 466 CB GLU A 87 -11.437 -10.542 -3.175 1.00 0.00 C ATOM 467 CG GLU A 87 -10.979 -9.094 -3.198 1.00 0.00 C ATOM 468 CD GLU A 87 -11.246 -8.419 -4.530 1.00 0.00 C ATOM 469 OE1 GLU A 87 -10.526 -8.724 -5.504 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.173 -7.585 -4.598 1.00 0.00 O ATOM 0 H GLU A 87 -11.034 -9.825 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.255 -12.365 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.125 -11.028 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.526 -10.569 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.488 -8.543 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.912 -9.051 -2.980 1.00 0.00 H new ATOM 477 N TYR A 88 -8.808 -12.484 -2.454 1.00 0.00 N ATOM 478 CA TYR A 88 -7.360 -12.633 -2.538 1.00 0.00 C ATOM 479 C TYR A 88 -6.802 -11.866 -3.732 1.00 0.00 C ATOM 480 O TYR A 88 -6.924 -12.303 -4.877 1.00 0.00 O ATOM 481 CB TYR A 88 -6.985 -14.112 -2.647 1.00 0.00 C ATOM 482 CG TYR A 88 -5.679 -14.457 -1.967 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.463 -14.220 -2.596 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.661 -15.020 -0.697 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.267 -14.534 -1.979 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.470 -15.335 -0.072 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.276 -15.091 -0.717 1.00 0.00 C ATOM 488 OH TYR A 88 -2.088 -15.405 -0.099 1.00 0.00 O ATOM 0 H TYR A 88 -9.335 -13.307 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.924 -12.220 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.782 -14.714 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.920 -14.385 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.452 -13.783 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.594 -15.215 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.330 -14.344 -2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.474 -15.770 0.916 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.270 -15.788 0.785 1.00 0.00 H new ATOM 498 N ASP A 89 -6.189 -10.720 -3.456 1.00 0.00 N ATOM 499 CA ASP A 89 -5.609 -9.891 -4.507 1.00 0.00 C ATOM 500 C ASP A 89 -4.139 -9.603 -4.222 1.00 0.00 C ATOM 501 O ASP A 89 -3.777 -9.200 -3.117 1.00 0.00 O ATOM 502 CB ASP A 89 -6.383 -8.578 -4.635 1.00 0.00 C ATOM 503 CG ASP A 89 -6.390 -8.046 -6.055 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.298 -7.746 -6.581 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.487 -7.931 -6.640 1.00 0.00 O ATOM 0 H ASP A 89 -6.081 -10.344 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.678 -10.438 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.410 -8.731 -4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.941 -7.833 -3.973 1.00 0.00 H new ATOM 510 N MET A 90 -3.295 -9.814 -5.227 1.00 0.00 N ATOM 511 CA MET A 90 -1.863 -9.577 -5.085 1.00 0.00 C ATOM 512 C MET A 90 -1.568 -8.085 -4.962 1.00 0.00 C ATOM 513 O MET A 90 -0.449 -7.687 -4.639 1.00 0.00 O ATOM 514 CB MET A 90 -1.106 -10.162 -6.279 1.00 0.00 C ATOM 515 CG MET A 90 -0.924 -11.669 -6.204 1.00 0.00 C ATOM 516 SD MET A 90 0.626 -12.144 -5.415 1.00 0.00 S ATOM 517 CE MET A 90 0.201 -11.943 -3.686 1.00 0.00 C ATOM 0 H MET A 90 -3.578 -10.148 -6.148 1.00 0.00 H new ATOM 0 HA MET A 90 -1.527 -10.072 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.642 -9.914 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.126 -9.689 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.757 -12.104 -5.651 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.957 -12.085 -7.211 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.895 -12.516 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.263 -10.889 -3.416 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.814 -12.302 -3.517 1.00 0.00 H new ATOM 527 N THR A 91 -2.580 -7.263 -5.223 1.00 0.00 N ATOM 528 CA THR A 91 -2.429 -5.816 -5.144 1.00 0.00 C ATOM 529 C THR A 91 -3.075 -5.264 -3.878 1.00 0.00 C ATOM 530 O THR A 91 -2.457 -4.503 -3.134 1.00 0.00 O ATOM 531 CB THR A 91 -3.049 -5.118 -6.369 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.469 -5.306 -6.374 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.456 -5.663 -7.660 1.00 0.00 C ATOM 0 H THR A 91 -3.513 -7.576 -5.491 1.00 0.00 H new ATOM 0 HA THR A 91 -1.359 -5.611 -5.122 1.00 0.00 H new ATOM 0 HB THR A 91 -2.824 -4.053 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.677 -6.219 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.909 -5.155 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.379 -5.492 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.654 -6.733 -7.728 1.00 0.00 H new ATOM 541 N LYS A 92 -4.322 -5.653 -3.638 1.00 0.00 N ATOM 542 CA LYS A 92 -5.053 -5.200 -2.461 1.00 0.00 C ATOM 543 C LYS A 92 -4.407 -5.726 -1.183 1.00 0.00 C ATOM 544 O LYS A 92 -4.283 -5.001 -0.196 1.00 0.00 O ATOM 545 CB LYS A 92 -6.512 -5.657 -2.533 1.00 0.00 C ATOM 546 CG LYS A 92 -7.210 -5.262 -3.822 1.00 0.00 C ATOM 547 CD LYS A 92 -7.931 -3.932 -3.681 1.00 0.00 C ATOM 548 CE LYS A 92 -7.023 -2.765 -4.036 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.115 -2.408 -5.478 1.00 0.00 N ATOM 0 H LYS A 92 -4.848 -6.282 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.021 -4.111 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.550 -6.741 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.058 -5.235 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.479 -5.197 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.924 -6.036 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.808 -3.922 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.289 -3.818 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.291 -1.899 -3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.992 -3.019 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.481 -1.608 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.835 -3.226 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.093 -2.140 -5.708 1.00 0.00 H new ATOM 563 N MET A 93 -3.995 -6.989 -1.211 1.00 0.00 N ATOM 564 CA MET A 93 -3.359 -7.610 -0.055 1.00 0.00 C ATOM 565 C MET A 93 -2.053 -6.902 0.293 1.00 0.00 C ATOM 566 O MET A 93 -1.372 -6.347 -0.569 1.00 0.00 O ATOM 567 CB MET A 93 -3.092 -9.092 -0.327 1.00 0.00 C ATOM 568 CG MET A 93 -1.791 -9.349 -1.070 1.00 0.00 C ATOM 569 SD MET A 93 -1.491 -11.103 -1.360 1.00 0.00 S ATOM 570 CE MET A 93 -1.585 -11.743 0.311 1.00 0.00 C ATOM 0 H MET A 93 -4.090 -7.602 -2.021 1.00 0.00 H new ATOM 0 HA MET A 93 -4.038 -7.520 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.071 -9.629 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.919 -9.501 -0.907 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.814 -8.825 -2.026 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.962 -8.932 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.148 -12.741 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.036 -11.085 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.628 -11.793 0.623 1.00 0.00 H new ATOM 580 N PRO A 94 -1.694 -6.921 1.585 1.00 0.00 N ATOM 581 CA PRO A 94 -0.468 -6.285 2.075 1.00 0.00 C ATOM 582 C PRO A 94 0.788 -7.017 1.614 1.00 0.00 C ATOM 583 O PRO A 94 0.708 -8.089 1.016 1.00 0.00 O ATOM 584 CB PRO A 94 -0.608 -6.370 3.597 1.00 0.00 C ATOM 585 CG PRO A 94 -1.506 -7.536 3.830 1.00 0.00 C ATOM 586 CD PRO A 94 -2.458 -7.565 2.667 1.00 0.00 C ATOM 0 HA PRO A 94 -0.358 -5.268 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.360 -6.514 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.034 -5.454 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.935 -8.462 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.044 -7.432 4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.743 -8.584 2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.378 -7.023 2.887 1.00 0.00 H new ATOM 594 N GLU A 95 1.947 -6.430 1.898 1.00 0.00 N ATOM 595 CA GLU A 95 3.220 -7.028 1.512 1.00 0.00 C ATOM 596 C GLU A 95 3.736 -7.962 2.602 1.00 0.00 C ATOM 597 O GLU A 95 3.130 -8.086 3.667 1.00 0.00 O ATOM 598 CB GLU A 95 4.255 -5.938 1.227 1.00 0.00 C ATOM 599 CG GLU A 95 3.780 -4.892 0.232 1.00 0.00 C ATOM 600 CD GLU A 95 2.538 -4.160 0.703 1.00 0.00 C ATOM 601 OE1 GLU A 95 2.669 -3.254 1.551 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.435 -4.495 0.222 1.00 0.00 O ATOM 0 H GLU A 95 2.030 -5.542 2.393 1.00 0.00 H new ATOM 0 HA GLU A 95 3.058 -7.611 0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.517 -5.444 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.164 -6.403 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.579 -4.171 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.573 -5.373 -0.724 1.00 0.00 H new ATOM 609 N CYS A 96 4.859 -8.618 2.329 1.00 0.00 N ATOM 610 CA CYS A 96 5.457 -9.542 3.285 1.00 0.00 C ATOM 611 C CYS A 96 6.026 -8.791 4.485 1.00 0.00 C ATOM 612 O CYS A 96 7.046 -8.109 4.377 1.00 0.00 O ATOM 613 CB CYS A 96 6.560 -10.361 2.612 1.00 0.00 C ATOM 614 SG CYS A 96 7.277 -11.657 3.673 1.00 0.00 S ATOM 0 H CYS A 96 5.373 -8.527 1.453 1.00 0.00 H new ATOM 0 HA CYS A 96 4.677 -10.216 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.155 -10.825 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.355 -9.687 2.293 1.00 0.00 H new ATOM 0 HG CYS A 96 8.563 -11.707 3.488 1.00 0.00 H new ATOM 619 N TYR A 97 5.360 -8.920 5.627 1.00 0.00 N ATOM 620 CA TYR A 97 5.798 -8.252 6.847 1.00 0.00 C ATOM 621 C TYR A 97 7.295 -8.448 7.068 1.00 0.00 C ATOM 622 O TYR A 97 7.978 -7.566 7.589 1.00 0.00 O ATOM 623 CB TYR A 97 5.019 -8.783 8.051 1.00 0.00 C ATOM 624 CG TYR A 97 5.787 -8.704 9.351 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.299 -7.495 9.806 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.002 -9.839 10.124 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.002 -7.418 10.993 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.702 -9.771 11.313 1.00 0.00 C ATOM 629 CZ TYR A 97 7.201 -8.559 11.743 1.00 0.00 C ATOM 630 OH TYR A 97 7.900 -8.487 12.926 1.00 0.00 O ATOM 0 H TYR A 97 4.515 -9.481 5.734 1.00 0.00 H new ATOM 0 HA TYR A 97 5.602 -7.185 6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.092 -8.218 8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.742 -9.821 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.145 -6.600 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.615 -10.790 9.789 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.393 -6.470 11.332 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.858 -10.662 11.903 1.00 0.00 H new ATOM 0 HH TYR A 97 8.860 -8.565 12.744 1.00 0.00 H new ATOM 640 N PHE A 98 7.798 -9.611 6.667 1.00 0.00 N ATOM 641 CA PHE A 98 9.214 -9.925 6.821 1.00 0.00 C ATOM 642 C PHE A 98 10.062 -9.101 5.857 1.00 0.00 C ATOM 643 O PHE A 98 10.928 -8.332 6.275 1.00 0.00 O ATOM 644 CB PHE A 98 9.456 -11.417 6.584 1.00 0.00 C ATOM 645 CG PHE A 98 8.682 -12.305 7.516 1.00 0.00 C ATOM 646 CD1 PHE A 98 8.943 -12.299 8.877 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.694 -13.147 7.031 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.233 -13.115 9.737 1.00 0.00 C ATOM 649 CE2 PHE A 98 6.980 -13.964 7.886 1.00 0.00 C ATOM 650 CZ PHE A 98 7.251 -13.950 9.240 1.00 0.00 C ATOM 0 H PHE A 98 7.246 -10.351 6.233 1.00 0.00 H new ATOM 0 HA PHE A 98 9.507 -9.674 7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.189 -11.662 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.520 -11.627 6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.710 -11.649 9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.480 -13.165 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.445 -13.100 10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.210 -14.613 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.696 -14.591 9.909 1.00 0.00 H new ATOM 660 N TYR A 99 9.807 -9.268 4.564 1.00 0.00 N ATOM 661 CA TYR A 99 10.548 -8.543 3.539 1.00 0.00 C ATOM 662 C TYR A 99 10.267 -7.045 3.620 1.00 0.00 C ATOM 663 O TYR A 99 10.995 -6.234 3.048 1.00 0.00 O ATOM 664 CB TYR A 99 10.182 -9.066 2.149 1.00 0.00 C ATOM 665 CG TYR A 99 11.302 -8.941 1.140 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.454 -7.788 0.381 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.209 -9.976 0.948 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.475 -7.669 -0.542 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.234 -9.866 0.028 1.00 0.00 C ATOM 670 CZ TYR A 99 13.362 -8.711 -0.714 1.00 0.00 C ATOM 671 OH TYR A 99 14.382 -8.596 -1.632 1.00 0.00 O ATOM 0 H TYR A 99 9.093 -9.899 4.201 1.00 0.00 H new ATOM 0 HA TYR A 99 11.612 -8.705 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.892 -10.114 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.312 -8.521 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.762 -6.970 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.111 -10.882 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.578 -6.766 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.931 -10.680 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 99 14.918 -9.416 -1.630 1.00 0.00 H new ATOM 681 N SER A 100 9.206 -6.687 4.337 1.00 0.00 N ATOM 682 CA SER A 100 8.826 -5.288 4.492 1.00 0.00 C ATOM 683 C SER A 100 9.482 -4.680 5.729 1.00 0.00 C ATOM 684 O SER A 100 9.718 -3.474 5.792 1.00 0.00 O ATOM 685 CB SER A 100 7.305 -5.159 4.591 1.00 0.00 C ATOM 686 OG SER A 100 6.924 -3.825 4.880 1.00 0.00 O ATOM 0 H SER A 100 8.595 -7.346 4.819 1.00 0.00 H new ATOM 0 HA SER A 100 9.173 -4.743 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.848 -5.476 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.930 -5.824 5.369 1.00 0.00 H new ATOM 0 HG SER A 100 5.947 -3.769 4.937 1.00 0.00 H new ATOM 692 N LYS A 101 9.772 -5.526 6.711 1.00 0.00 N ATOM 693 CA LYS A 101 10.402 -5.076 7.947 1.00 0.00 C ATOM 694 C LYS A 101 11.884 -5.436 7.966 1.00 0.00 C ATOM 695 O LYS A 101 12.746 -4.558 7.995 1.00 0.00 O ATOM 696 CB LYS A 101 9.700 -5.697 9.157 1.00 0.00 C ATOM 697 CG LYS A 101 9.710 -4.809 10.389 1.00 0.00 C ATOM 698 CD LYS A 101 11.034 -4.898 11.129 1.00 0.00 C ATOM 699 CE LYS A 101 10.877 -4.541 12.599 1.00 0.00 C ATOM 700 NZ LYS A 101 12.184 -4.216 13.234 1.00 0.00 N ATOM 0 H LYS A 101 9.581 -6.527 6.675 1.00 0.00 H new ATOM 0 HA LYS A 101 10.309 -3.991 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.667 -5.923 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.181 -6.645 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.525 -3.776 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.899 -5.101 11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.435 -5.908 11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.757 -4.226 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.204 -3.689 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.414 -5.374 13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.034 -3.978 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.818 -5.038 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.615 -3.405 12.746 1.00 0.00 H new ATOM 714 N PHE A 102 12.173 -6.733 7.947 1.00 0.00 N ATOM 715 CA PHE A 102 13.551 -7.209 7.961 1.00 0.00 C ATOM 716 C PHE A 102 14.171 -7.121 6.570 1.00 0.00 C ATOM 717 O PHE A 102 15.377 -6.921 6.427 1.00 0.00 O ATOM 718 CB PHE A 102 13.610 -8.652 8.468 1.00 0.00 C ATOM 719 CG PHE A 102 12.719 -8.909 9.650 1.00 0.00 C ATOM 720 CD1 PHE A 102 12.520 -7.929 10.610 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.082 -10.130 9.801 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.701 -8.162 11.698 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.261 -10.368 10.888 1.00 0.00 C ATOM 724 CZ PHE A 102 11.071 -9.384 11.838 1.00 0.00 C ATOM 0 H PHE A 102 11.471 -7.473 7.922 1.00 0.00 H new ATOM 0 HA PHE A 102 14.122 -6.571 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.329 -9.325 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.638 -8.892 8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.011 -6.973 10.506 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.228 -10.904 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 102 11.553 -7.390 12.438 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.768 -11.323 10.994 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.432 -9.569 12.688 1.00 0.00 H new ATOM 734 N GLY A 103 13.337 -7.274 5.546 1.00 0.00 N ATOM 735 CA GLY A 103 13.821 -7.209 4.179 1.00 0.00 C ATOM 736 C GLY A 103 14.572 -8.461 3.770 1.00 0.00 C ATOM 737 O GLY A 103 15.484 -8.403 2.946 1.00 0.00 O ATOM 0 H GLY A 103 12.335 -7.442 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.978 -7.058 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.475 -6.344 4.069 1.00 0.00 H new ATOM 741 N GLU A 104 14.189 -9.595 4.349 1.00 0.00 N ATOM 742 CA GLU A 104 14.836 -10.865 4.041 1.00 0.00 C ATOM 743 C GLU A 104 13.847 -12.021 4.160 1.00 0.00 C ATOM 744 O GLU A 104 13.374 -12.340 5.251 1.00 0.00 O ATOM 745 CB GLU A 104 16.024 -11.098 4.977 1.00 0.00 C ATOM 746 CG GLU A 104 16.890 -9.866 5.180 1.00 0.00 C ATOM 747 CD GLU A 104 18.240 -10.195 5.785 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.287 -10.520 6.990 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.251 -10.127 5.054 1.00 0.00 O ATOM 0 H GLU A 104 13.435 -9.660 5.033 1.00 0.00 H new ATOM 0 HA GLU A 104 15.196 -10.821 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.652 -11.434 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.640 -11.903 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.037 -9.368 4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.368 -9.162 5.828 1.00 0.00 H new ATOM 756 N CYS A 105 13.539 -12.647 3.028 1.00 0.00 N ATOM 757 CA CYS A 105 12.607 -13.767 3.003 1.00 0.00 C ATOM 758 C CYS A 105 13.093 -14.858 2.053 1.00 0.00 C ATOM 759 O CYS A 105 13.180 -14.649 0.843 1.00 0.00 O ATOM 760 CB CYS A 105 11.216 -13.290 2.580 1.00 0.00 C ATOM 761 SG CYS A 105 9.864 -14.404 3.080 1.00 0.00 S ATOM 0 H CYS A 105 13.922 -12.397 2.116 1.00 0.00 H new ATOM 0 HA CYS A 105 12.551 -14.184 4.009 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.036 -12.303 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.197 -13.176 1.496 1.00 0.00 H new ATOM 0 HG CYS A 105 8.804 -13.704 3.356 1.00 0.00 H new ATOM 766 N SER A 106 13.409 -16.023 2.610 1.00 0.00 N ATOM 767 CA SER A 106 13.890 -17.146 1.814 1.00 0.00 C ATOM 768 C SER A 106 12.727 -18.009 1.335 1.00 0.00 C ATOM 769 O SER A 106 12.778 -19.236 1.411 1.00 0.00 O ATOM 770 CB SER A 106 14.867 -17.994 2.630 1.00 0.00 C ATOM 771 OG SER A 106 15.743 -18.719 1.783 1.00 0.00 O ATOM 0 H SER A 106 13.340 -16.214 3.610 1.00 0.00 H new ATOM 0 HA SER A 106 14.407 -16.747 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.446 -17.351 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.312 -18.686 3.263 1.00 0.00 H new ATOM 0 HG SER A 106 16.359 -19.252 2.328 1.00 0.00 H new ATOM 777 N ASN A 107 11.679 -17.358 0.840 1.00 0.00 N ATOM 778 CA ASN A 107 10.503 -18.064 0.348 1.00 0.00 C ATOM 779 C ASN A 107 10.396 -17.953 -1.170 1.00 0.00 C ATOM 780 O ASN A 107 10.391 -16.854 -1.724 1.00 0.00 O ATOM 781 CB ASN A 107 9.236 -17.507 1.001 1.00 0.00 C ATOM 782 CG ASN A 107 9.043 -18.017 2.416 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.901 -18.712 2.960 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.912 -17.672 3.020 1.00 0.00 N ATOM 0 H ASN A 107 11.621 -16.342 0.769 1.00 0.00 H new ATOM 0 HA ASN A 107 10.607 -19.117 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.286 -16.418 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.370 -17.780 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.727 -17.985 3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.228 -17.094 2.531 1.00 0.00 H new ATOM 791 N LYS A 108 10.311 -19.099 -1.837 1.00 0.00 N ATOM 792 CA LYS A 108 10.203 -19.132 -3.291 1.00 0.00 C ATOM 793 C LYS A 108 8.748 -19.001 -3.731 1.00 0.00 C ATOM 794 O LYS A 108 8.464 -18.530 -4.832 1.00 0.00 O ATOM 795 CB LYS A 108 10.797 -20.432 -3.838 1.00 0.00 C ATOM 796 CG LYS A 108 9.992 -21.668 -3.475 1.00 0.00 C ATOM 797 CD LYS A 108 10.176 -22.774 -4.501 1.00 0.00 C ATOM 798 CE LYS A 108 11.357 -23.667 -4.152 1.00 0.00 C ATOM 799 NZ LYS A 108 11.788 -24.495 -5.312 1.00 0.00 N ATOM 0 H LYS A 108 10.315 -20.018 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 108 10.763 -18.287 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.868 -20.361 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.813 -20.546 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.298 -22.027 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.936 -21.408 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.268 -23.375 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.329 -22.335 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.191 -23.051 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.087 -24.319 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.595 -25.089 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.000 -25.101 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.071 -23.873 -6.096 1.00 0.00 H new ATOM 813 N GLU A 109 7.832 -19.419 -2.864 1.00 0.00 N ATOM 814 CA GLU A 109 6.407 -19.347 -3.165 1.00 0.00 C ATOM 815 C GLU A 109 5.666 -18.543 -2.100 1.00 0.00 C ATOM 816 O GLU A 109 4.593 -18.938 -1.642 1.00 0.00 O ATOM 817 CB GLU A 109 5.812 -20.753 -3.263 1.00 0.00 C ATOM 818 CG GLU A 109 6.293 -21.534 -4.474 1.00 0.00 C ATOM 819 CD GLU A 109 5.291 -22.576 -4.933 1.00 0.00 C ATOM 820 OE1 GLU A 109 5.289 -23.688 -4.366 1.00 0.00 O ATOM 821 OE2 GLU A 109 4.508 -22.277 -5.859 1.00 0.00 O ATOM 0 H GLU A 109 8.051 -19.811 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 109 6.290 -18.843 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.063 -21.309 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.725 -20.677 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.492 -20.842 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.237 -22.024 -4.234 1.00 0.00 H new ATOM 828 N CYS A 110 6.246 -17.412 -1.711 1.00 0.00 N ATOM 829 CA CYS A 110 5.643 -16.552 -0.700 1.00 0.00 C ATOM 830 C CYS A 110 4.415 -15.836 -1.257 1.00 0.00 C ATOM 831 O CYS A 110 4.491 -15.086 -2.230 1.00 0.00 O ATOM 832 CB CYS A 110 6.662 -15.525 -0.201 1.00 0.00 C ATOM 833 SG CYS A 110 6.248 -14.791 1.414 1.00 0.00 S ATOM 0 H CYS A 110 7.133 -17.070 -2.081 1.00 0.00 H new ATOM 0 HA CYS A 110 5.329 -17.179 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.639 -16.003 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.749 -14.728 -0.939 1.00 0.00 H new ATOM 0 HG CYS A 110 7.169 -13.938 1.752 1.00 0.00 H new ATOM 838 N PRO A 111 3.256 -16.073 -0.625 1.00 0.00 N ATOM 839 CA PRO A 111 1.990 -15.461 -1.039 1.00 0.00 C ATOM 840 C PRO A 111 1.951 -13.963 -0.756 1.00 0.00 C ATOM 841 O PRO A 111 0.935 -13.305 -0.981 1.00 0.00 O ATOM 842 CB PRO A 111 0.948 -16.193 -0.189 1.00 0.00 C ATOM 843 CG PRO A 111 1.696 -16.655 1.013 1.00 0.00 C ATOM 844 CD PRO A 111 3.092 -16.957 0.542 1.00 0.00 C ATOM 0 HA PRO A 111 1.825 -15.552 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.126 -15.532 0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.513 -17.033 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.703 -15.888 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.230 -17.540 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.832 -16.745 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.207 -18.006 0.271 1.00 0.00 H new ATOM 852 N PHE A 112 3.063 -13.430 -0.262 1.00 0.00 N ATOM 853 CA PHE A 112 3.155 -12.009 0.052 1.00 0.00 C ATOM 854 C PHE A 112 4.003 -11.277 -0.985 1.00 0.00 C ATOM 855 O PHE A 112 4.705 -11.900 -1.782 1.00 0.00 O ATOM 856 CB PHE A 112 3.752 -11.811 1.447 1.00 0.00 C ATOM 857 CG PHE A 112 2.752 -11.972 2.555 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.721 -11.060 2.714 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.843 -13.035 3.439 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.798 -11.206 3.733 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.923 -13.186 4.460 1.00 0.00 C ATOM 862 CZ PHE A 112 0.900 -12.270 4.607 1.00 0.00 C ATOM 0 H PHE A 112 3.913 -13.960 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 112 2.148 -11.592 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.561 -12.527 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.192 -10.816 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.637 -10.225 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.642 -13.754 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.002 -10.489 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.004 -14.020 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.181 -12.386 5.404 1.00 0.00 H new ATOM 872 N LEU A 113 3.931 -9.950 -0.969 1.00 0.00 N ATOM 873 CA LEU A 113 4.690 -9.131 -1.907 1.00 0.00 C ATOM 874 C LEU A 113 6.119 -8.924 -1.416 1.00 0.00 C ATOM 875 O LEU A 113 6.349 -8.658 -0.236 1.00 0.00 O ATOM 876 CB LEU A 113 4.005 -7.778 -2.104 1.00 0.00 C ATOM 877 CG LEU A 113 2.589 -7.820 -2.680 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.569 -8.042 -1.574 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.284 -6.537 -3.440 1.00 0.00 C ATOM 0 H LEU A 113 3.354 -9.419 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 113 4.726 -9.655 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.969 -7.268 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.626 -7.171 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 113 2.526 -8.655 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.567 -8.069 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.775 -8.988 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.633 -7.228 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.272 -6.585 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.366 -5.686 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.995 -6.421 -4.258 1.00 0.00 H new ATOM 891 N HIS A 114 7.077 -9.045 -2.330 1.00 0.00 N ATOM 892 CA HIS A 114 8.484 -8.868 -1.991 1.00 0.00 C ATOM 893 C HIS A 114 9.054 -7.624 -2.667 1.00 0.00 C ATOM 894 O HIS A 114 9.404 -7.653 -3.847 1.00 0.00 O ATOM 895 CB HIS A 114 9.289 -10.100 -2.403 1.00 0.00 C ATOM 896 CG HIS A 114 9.372 -11.147 -1.334 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.926 -12.392 -1.542 1.00 0.00 N ATOM 898 CD2 HIS A 114 8.968 -11.126 -0.042 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.858 -13.094 -0.424 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.281 -12.348 0.501 1.00 0.00 N ATOM 0 H HIS A 114 6.904 -9.265 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 114 8.558 -8.739 -0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.838 -10.537 -3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.298 -9.790 -2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.489 -10.302 0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.214 -14.105 -0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.098 -12.633 1.463 1.00 0.00 H new ATOM 908 N ILE A 115 9.143 -6.534 -1.912 1.00 0.00 N ATOM 909 CA ILE A 115 9.670 -5.282 -2.438 1.00 0.00 C ATOM 910 C ILE A 115 11.034 -4.962 -1.835 1.00 0.00 C ATOM 911 O ILE A 115 11.221 -5.044 -0.621 1.00 0.00 O ATOM 912 CB ILE A 115 8.712 -4.108 -2.164 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.333 -4.396 -2.761 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.281 -2.816 -2.730 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.293 -3.355 -2.411 1.00 0.00 C ATOM 0 H ILE A 115 8.857 -6.493 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 115 9.773 -5.412 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 115 8.603 -3.992 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.422 -4.459 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.991 -5.371 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.592 -1.996 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.243 -2.606 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.417 -2.919 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.341 -3.624 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.176 -3.308 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.612 -2.382 -2.784 1.00 0.00 H new ATOM 927 N ASP A 116 11.982 -4.596 -2.690 1.00 0.00 N ATOM 928 CA ASP A 116 13.328 -4.261 -2.242 1.00 0.00 C ATOM 929 C ASP A 116 13.338 -2.927 -1.502 1.00 0.00 C ATOM 930 O ASP A 116 12.648 -1.978 -1.874 1.00 0.00 O ATOM 931 CB ASP A 116 14.287 -4.204 -3.432 1.00 0.00 C ATOM 932 CG ASP A 116 15.706 -4.576 -3.051 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.904 -5.683 -2.508 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.619 -3.761 -3.298 1.00 0.00 O ATOM 0 H ASP A 116 11.843 -4.524 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 116 13.659 -5.040 -1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.934 -4.879 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.279 -3.199 -3.853 1.00 0.00 H new