USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=16 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 119:sc= 0.665 USER MOD Set 1.2: A 105 CYS SG : rot 148:sc= 0.509 USER MOD Set 1.3: A 110 CYS SG : rot 144:sc= 0.211 USER MOD Set 1.4: A 114 HIS : no HD1:sc= -3.91! C(o=-2.5!,f=-5.3!) USER MOD Set 2.1: A 68 CYS SG : rot 122:sc= 1.3 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -1.28 K(o=0.3,f=-2.2!) USER MOD Set 2.3: A 76 CYS SG : rot 142:sc= 0.00919 USER MOD Set 2.4: A 82 CYS SG : rot -148:sc= 1.09 USER MOD Set 2.5: A 86 HIS : no HD1:sc= -0.819 K(o=0.3,f=-0.83) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.717 USER MOD Single : A 90 MET CE :methyl 168:sc= -5.55! (180deg=-6.68!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -166:sc= -0.368 (180deg=-0.783) USER MOD Single : A 97 TYR OH : rot -94:sc= 0.0141 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+ 176:sc= 0.674 (180deg=0.663) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 63 -10.404 2.131 3.873 1.00 0.00 N ATOM 67 CA GLU A 63 -11.041 1.265 2.887 1.00 0.00 C ATOM 68 C GLU A 63 -10.642 -0.192 3.105 1.00 0.00 C ATOM 69 O GLU A 63 -9.857 -0.506 4.000 1.00 0.00 O ATOM 70 CB GLU A 63 -10.661 1.702 1.471 1.00 0.00 C ATOM 71 CG GLU A 63 -9.162 1.737 1.225 1.00 0.00 C ATOM 72 CD GLU A 63 -8.759 2.806 0.228 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.831 4.002 0.580 1.00 0.00 O ATOM 74 OE2 GLU A 63 -8.372 2.446 -0.904 1.00 0.00 O ATOM 0 HA GLU A 63 -12.121 1.351 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.122 1.022 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.075 2.693 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.647 1.913 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.835 0.763 0.860 1.00 0.00 H new ATOM 81 N LYS A 64 -11.190 -1.078 2.281 1.00 0.00 N ATOM 82 CA LYS A 64 -10.894 -2.502 2.382 1.00 0.00 C ATOM 83 C LYS A 64 -9.576 -2.834 1.688 1.00 0.00 C ATOM 84 O LYS A 64 -9.291 -3.996 1.396 1.00 0.00 O ATOM 85 CB LYS A 64 -12.028 -3.325 1.766 1.00 0.00 C ATOM 86 CG LYS A 64 -13.412 -2.871 2.196 1.00 0.00 C ATOM 87 CD LYS A 64 -14.501 -3.578 1.407 1.00 0.00 C ATOM 88 CE LYS A 64 -14.648 -5.029 1.836 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.779 -5.702 1.138 1.00 0.00 N ATOM 0 H LYS A 64 -11.842 -0.835 1.535 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.802 -2.755 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.958 -3.269 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.897 -4.372 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.546 -3.068 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.502 -1.794 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.449 -3.058 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.268 -3.534 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.722 -5.565 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.807 -5.075 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.846 -6.689 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.667 -5.206 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.615 -5.681 0.111 1.00 0.00 H new ATOM 103 N THR A 65 -8.775 -1.806 1.428 1.00 0.00 N ATOM 104 CA THR A 65 -7.487 -1.988 0.769 1.00 0.00 C ATOM 105 C THR A 65 -6.768 -3.223 1.299 1.00 0.00 C ATOM 106 O THR A 65 -5.967 -3.837 0.594 1.00 0.00 O ATOM 107 CB THR A 65 -6.580 -0.758 0.960 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.220 -1.103 0.670 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.681 -0.226 2.382 1.00 0.00 C ATOM 0 H THR A 65 -8.995 -0.838 1.664 1.00 0.00 H new ATOM 0 HA THR A 65 -7.691 -2.118 -0.294 1.00 0.00 H new ATOM 0 HB THR A 65 -6.912 0.021 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.650 -0.316 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.032 0.642 2.493 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.711 0.062 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.372 -1.001 3.083 1.00 0.00 H new ATOM 117 N VAL A 66 -7.060 -3.583 2.545 1.00 0.00 N ATOM 118 CA VAL A 66 -6.443 -4.747 3.168 1.00 0.00 C ATOM 119 C VAL A 66 -7.411 -5.924 3.214 1.00 0.00 C ATOM 120 O VAL A 66 -8.612 -5.747 3.416 1.00 0.00 O ATOM 121 CB VAL A 66 -5.968 -4.432 4.599 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.564 -5.708 5.322 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.816 -3.438 4.570 1.00 0.00 C ATOM 0 H VAL A 66 -7.720 -3.085 3.142 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.581 -5.013 2.557 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.795 -3.980 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.231 -5.465 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.419 -6.383 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.752 -6.192 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.492 -3.226 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.985 -3.861 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.145 -2.514 4.094 1.00 0.00 H new ATOM 133 N VAL A 67 -6.879 -7.128 3.026 1.00 0.00 N ATOM 134 CA VAL A 67 -7.695 -8.336 3.048 1.00 0.00 C ATOM 135 C VAL A 67 -7.893 -8.841 4.473 1.00 0.00 C ATOM 136 O VAL A 67 -6.928 -9.049 5.209 1.00 0.00 O ATOM 137 CB VAL A 67 -7.062 -9.457 2.201 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.748 -10.786 2.476 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.129 -9.109 0.722 1.00 0.00 C ATOM 0 H VAL A 67 -5.887 -7.292 2.857 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.663 -8.071 2.622 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.013 -9.552 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.288 -11.566 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.643 -11.038 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.806 -10.708 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.678 -9.911 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.170 -8.985 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.587 -8.180 0.542 1.00 0.00 H new ATOM 149 N CYS A 68 -9.150 -9.036 4.856 1.00 0.00 N ATOM 150 CA CYS A 68 -9.476 -9.516 6.194 1.00 0.00 C ATOM 151 C CYS A 68 -8.545 -10.653 6.606 1.00 0.00 C ATOM 152 O CYS A 68 -8.221 -11.528 5.802 1.00 0.00 O ATOM 153 CB CYS A 68 -10.930 -9.989 6.248 1.00 0.00 C ATOM 154 SG CYS A 68 -11.621 -10.076 7.931 1.00 0.00 S ATOM 0 H CYS A 68 -9.960 -8.869 4.259 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.343 -8.689 6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.543 -9.315 5.650 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.998 -10.975 5.787 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.678 -9.322 8.006 1.00 0.00 H new ATOM 159 N LYS A 69 -8.117 -10.633 7.863 1.00 0.00 N ATOM 160 CA LYS A 69 -7.225 -11.662 8.385 1.00 0.00 C ATOM 161 C LYS A 69 -8.018 -12.832 8.957 1.00 0.00 C ATOM 162 O LYS A 69 -7.491 -13.934 9.116 1.00 0.00 O ATOM 163 CB LYS A 69 -6.312 -11.074 9.463 1.00 0.00 C ATOM 164 CG LYS A 69 -7.051 -10.253 10.505 1.00 0.00 C ATOM 165 CD LYS A 69 -7.042 -8.773 10.158 1.00 0.00 C ATOM 166 CE LYS A 69 -5.746 -8.107 10.593 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.563 -6.777 9.949 1.00 0.00 N ATOM 0 H LYS A 69 -8.373 -9.915 8.540 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.614 -12.030 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.783 -11.886 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.558 -10.447 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.080 -10.603 10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.589 -10.402 11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.173 -8.649 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.886 -8.280 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.744 -7.989 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.904 -8.752 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.668 -6.355 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.539 -6.892 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.353 -6.153 10.210 1.00 0.00 H new ATOM 181 N HIS A 70 -9.288 -12.586 9.264 1.00 0.00 N ATOM 182 CA HIS A 70 -10.154 -13.621 9.817 1.00 0.00 C ATOM 183 C HIS A 70 -10.709 -14.513 8.710 1.00 0.00 C ATOM 184 O HIS A 70 -10.536 -15.732 8.737 1.00 0.00 O ATOM 185 CB HIS A 70 -11.304 -12.988 10.602 1.00 0.00 C ATOM 186 CG HIS A 70 -10.855 -11.968 11.602 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.368 -10.728 11.246 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.822 -12.009 12.955 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.055 -10.051 12.336 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.321 -10.806 13.387 1.00 0.00 N ATOM 0 H HIS A 70 -9.740 -11.680 9.139 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.559 -14.236 10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.996 -12.519 9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.856 -13.773 11.119 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.132 -12.835 13.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.650 -9.050 12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.178 -10.539 14.361 1.00 0.00 H new ATOM 198 N TRP A 71 -11.377 -13.899 7.741 1.00 0.00 N ATOM 199 CA TRP A 71 -11.958 -14.638 6.626 1.00 0.00 C ATOM 200 C TRP A 71 -10.938 -15.591 6.014 1.00 0.00 C ATOM 201 O TRP A 71 -11.285 -16.685 5.568 1.00 0.00 O ATOM 202 CB TRP A 71 -12.475 -13.670 5.560 1.00 0.00 C ATOM 203 CG TRP A 71 -12.470 -14.251 4.178 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.459 -14.992 3.597 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.425 -14.140 3.206 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.092 -15.349 2.322 1.00 0.00 N ATOM 207 CE2 TRP A 71 -11.849 -14.838 2.058 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.174 -13.517 3.192 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.064 -14.929 0.911 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.396 -13.610 2.053 1.00 0.00 C ATOM 211 CH2 TRP A 71 -9.844 -14.310 0.925 1.00 0.00 C ATOM 0 H TRP A 71 -11.530 -12.891 7.704 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.793 -15.226 7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.491 -13.368 5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.862 -12.769 5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.393 -15.258 4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.654 -15.904 1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.821 -12.973 4.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.406 -15.469 0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.426 -13.135 2.032 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.214 -14.362 0.049 1.00 0.00 H new ATOM 222 N LEU A 72 -9.678 -15.169 5.995 1.00 0.00 N ATOM 223 CA LEU A 72 -8.606 -15.986 5.437 1.00 0.00 C ATOM 224 C LEU A 72 -8.707 -17.427 5.929 1.00 0.00 C ATOM 225 O LEU A 72 -8.762 -18.363 5.131 1.00 0.00 O ATOM 226 CB LEU A 72 -7.244 -15.402 5.814 1.00 0.00 C ATOM 227 CG LEU A 72 -6.769 -14.213 4.977 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.542 -13.573 5.606 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.472 -14.651 3.550 1.00 0.00 C ATOM 0 H LEU A 72 -9.374 -14.266 6.359 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.708 -15.983 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.280 -15.094 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.498 -16.194 5.740 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.567 -13.470 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.219 -12.729 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.788 -13.223 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.738 -14.307 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.135 -13.793 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.692 -15.412 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.376 -15.062 3.100 1.00 0.00 H new ATOM 241 N ARG A 73 -8.733 -17.596 7.247 1.00 0.00 N ATOM 242 CA ARG A 73 -8.829 -18.922 7.845 1.00 0.00 C ATOM 243 C ARG A 73 -10.282 -19.281 8.143 1.00 0.00 C ATOM 244 O ARG A 73 -10.561 -20.160 8.957 1.00 0.00 O ATOM 245 CB ARG A 73 -8.003 -18.986 9.131 1.00 0.00 C ATOM 246 CG ARG A 73 -6.542 -19.336 8.899 1.00 0.00 C ATOM 247 CD ARG A 73 -5.831 -19.653 10.206 1.00 0.00 C ATOM 248 NE ARG A 73 -4.400 -19.370 10.133 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.520 -19.801 11.029 1.00 0.00 C ATOM 250 NH1 ARG A 73 -3.921 -20.532 12.060 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.234 -19.502 10.895 1.00 0.00 N ATOM 0 H ARG A 73 -8.689 -16.831 7.921 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.434 -19.644 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.061 -18.023 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.443 -19.726 9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.474 -20.193 8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.042 -18.504 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.276 -19.069 11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.981 -20.704 10.455 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.058 -18.811 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.908 -20.765 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.242 -20.861 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.921 -18.941 10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.559 -19.834 11.584 1.00 0.00 H new ATOM 265 N GLY A 74 -11.205 -18.593 7.477 1.00 0.00 N ATOM 266 CA GLY A 74 -12.617 -18.852 7.685 1.00 0.00 C ATOM 267 C GLY A 74 -13.058 -18.558 9.105 1.00 0.00 C ATOM 268 O GLY A 74 -13.672 -19.402 9.760 1.00 0.00 O ATOM 0 H GLY A 74 -10.999 -17.861 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.200 -18.244 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.830 -19.895 7.450 1.00 0.00 H new ATOM 272 N LEU A 75 -12.744 -17.360 9.585 1.00 0.00 N ATOM 273 CA LEU A 75 -13.110 -16.957 10.938 1.00 0.00 C ATOM 274 C LEU A 75 -13.888 -15.645 10.923 1.00 0.00 C ATOM 275 O LEU A 75 -13.794 -14.844 11.854 1.00 0.00 O ATOM 276 CB LEU A 75 -11.858 -16.810 11.804 1.00 0.00 C ATOM 277 CG LEU A 75 -10.899 -18.002 11.805 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.616 -17.654 12.543 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.563 -19.219 12.433 1.00 0.00 C ATOM 0 H LEU A 75 -12.236 -16.650 9.057 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.748 -17.732 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.310 -15.929 11.469 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.171 -16.620 12.831 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.647 -18.242 10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.946 -18.514 12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.131 -16.811 12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.850 -17.388 13.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.867 -20.058 12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.844 -18.990 13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.454 -19.482 11.863 1.00 0.00 H new ATOM 291 N CYS A 76 -14.660 -15.433 9.863 1.00 0.00 N ATOM 292 CA CYS A 76 -15.457 -14.219 9.727 1.00 0.00 C ATOM 293 C CYS A 76 -16.883 -14.551 9.297 1.00 0.00 C ATOM 294 O CYS A 76 -17.115 -15.512 8.563 1.00 0.00 O ATOM 295 CB CYS A 76 -14.813 -13.272 8.712 1.00 0.00 C ATOM 296 SG CYS A 76 -15.200 -11.514 8.987 1.00 0.00 S ATOM 0 H CYS A 76 -14.751 -16.086 9.085 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.494 -13.727 10.699 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.731 -13.404 8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.140 -13.553 7.711 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.150 -10.793 8.728 1.00 0.00 H new ATOM 301 N LYS A 77 -17.836 -13.748 9.758 1.00 0.00 N ATOM 302 CA LYS A 77 -19.240 -13.954 9.421 1.00 0.00 C ATOM 303 C LYS A 77 -19.886 -12.649 8.966 1.00 0.00 C ATOM 304 O LYS A 77 -21.095 -12.462 9.104 1.00 0.00 O ATOM 305 CB LYS A 77 -19.997 -14.518 10.625 1.00 0.00 C ATOM 306 CG LYS A 77 -21.338 -15.135 10.265 1.00 0.00 C ATOM 307 CD LYS A 77 -21.165 -16.442 9.509 1.00 0.00 C ATOM 308 CE LYS A 77 -22.484 -17.186 9.374 1.00 0.00 C ATOM 309 NZ LYS A 77 -22.730 -18.094 10.529 1.00 0.00 N ATOM 0 H LYS A 77 -17.662 -12.948 10.366 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.291 -14.670 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.378 -15.272 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.156 -13.720 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.914 -15.312 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.910 -14.435 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.757 -16.240 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.443 -17.071 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.300 -16.467 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.481 -17.765 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.639 -18.583 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.965 -18.796 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.758 -17.538 11.408 1.00 0.00 H new ATOM 323 N LYS A 78 -19.074 -11.750 8.422 1.00 0.00 N ATOM 324 CA LYS A 78 -19.566 -10.463 7.944 1.00 0.00 C ATOM 325 C LYS A 78 -19.736 -10.475 6.428 1.00 0.00 C ATOM 326 O LYS A 78 -20.705 -9.934 5.898 1.00 0.00 O ATOM 327 CB LYS A 78 -18.607 -9.343 8.351 1.00 0.00 C ATOM 328 CG LYS A 78 -18.430 -9.210 9.854 1.00 0.00 C ATOM 329 CD LYS A 78 -17.626 -7.972 10.214 1.00 0.00 C ATOM 330 CE LYS A 78 -17.869 -7.548 11.654 1.00 0.00 C ATOM 331 NZ LYS A 78 -16.994 -8.288 12.605 1.00 0.00 N ATOM 0 H LYS A 78 -18.071 -11.889 8.301 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.539 -10.283 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.634 -9.525 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.975 -8.398 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.408 -9.162 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.928 -10.096 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.564 -8.171 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.894 -7.156 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.689 -6.477 11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.914 -7.721 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.190 -7.971 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.183 -9.308 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.997 -8.103 12.375 1.00 0.00 H new ATOM 345 N GLY A 79 -18.787 -11.098 5.735 1.00 0.00 N ATOM 346 CA GLY A 79 -18.851 -11.170 4.287 1.00 0.00 C ATOM 347 C GLY A 79 -18.916 -9.800 3.641 1.00 0.00 C ATOM 348 O GLY A 79 -17.885 -9.200 3.337 1.00 0.00 O ATOM 0 H GLY A 79 -17.975 -11.554 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.977 -11.703 3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.727 -11.749 3.993 1.00 0.00 H new ATOM 352 N ASP A 80 -20.130 -9.304 3.430 1.00 0.00 N ATOM 353 CA ASP A 80 -20.326 -7.997 2.815 1.00 0.00 C ATOM 354 C ASP A 80 -20.432 -6.907 3.877 1.00 0.00 C ATOM 355 O ASP A 80 -20.537 -5.723 3.557 1.00 0.00 O ATOM 356 CB ASP A 80 -21.583 -8.002 1.944 1.00 0.00 C ATOM 357 CG ASP A 80 -21.485 -7.037 0.779 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.350 -6.707 0.377 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.543 -6.611 0.270 1.00 0.00 O ATOM 0 H ASP A 80 -20.994 -9.788 3.676 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.460 -7.785 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.754 -9.009 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -22.446 -7.741 2.556 1.00 0.00 H new ATOM 364 N GLN A 81 -20.404 -7.316 5.142 1.00 0.00 N ATOM 365 CA GLN A 81 -20.499 -6.374 6.251 1.00 0.00 C ATOM 366 C GLN A 81 -19.118 -6.053 6.812 1.00 0.00 C ATOM 367 O GLN A 81 -18.950 -5.092 7.564 1.00 0.00 O ATOM 368 CB GLN A 81 -21.392 -6.942 7.355 1.00 0.00 C ATOM 369 CG GLN A 81 -22.671 -7.580 6.835 1.00 0.00 C ATOM 370 CD GLN A 81 -23.836 -6.611 6.803 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.737 -5.487 7.297 1.00 0.00 O ATOM 372 NE2 GLN A 81 -24.948 -7.041 6.220 1.00 0.00 N ATOM 0 H GLN A 81 -20.316 -8.292 5.424 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.941 -5.452 5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.829 -7.685 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.651 -6.142 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.497 -7.966 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.929 -8.432 7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -24.986 -7.980 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -25.765 -6.432 6.168 1.00 0.00 H new ATOM 381 N CYS A 82 -18.132 -6.863 6.443 1.00 0.00 N ATOM 382 CA CYS A 82 -16.765 -6.667 6.910 1.00 0.00 C ATOM 383 C CYS A 82 -16.206 -5.337 6.412 1.00 0.00 C ATOM 384 O CYS A 82 -16.768 -4.715 5.512 1.00 0.00 O ATOM 385 CB CYS A 82 -15.873 -7.817 6.438 1.00 0.00 C ATOM 386 SG CYS A 82 -14.310 -7.973 7.362 1.00 0.00 S ATOM 0 H CYS A 82 -18.254 -7.662 5.821 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.778 -6.650 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.428 -8.751 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.646 -7.676 5.381 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.383 -8.430 6.573 1.00 0.00 H new ATOM 391 N GLU A 83 -15.095 -4.909 7.005 1.00 0.00 N ATOM 392 CA GLU A 83 -14.461 -3.653 6.622 1.00 0.00 C ATOM 393 C GLU A 83 -13.230 -3.908 5.757 1.00 0.00 C ATOM 394 O GLU A 83 -12.620 -2.974 5.236 1.00 0.00 O ATOM 395 CB GLU A 83 -14.067 -2.855 7.867 1.00 0.00 C ATOM 396 CG GLU A 83 -13.478 -3.709 8.977 1.00 0.00 C ATOM 397 CD GLU A 83 -12.499 -2.943 9.846 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.583 -2.305 9.286 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.649 -2.982 11.085 1.00 0.00 O ATOM 0 H GLU A 83 -14.616 -5.413 7.751 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.179 -3.074 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.342 -2.091 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.946 -2.335 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.285 -4.096 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.973 -4.570 8.539 1.00 0.00 H new ATOM 406 N PHE A 84 -12.870 -5.178 5.609 1.00 0.00 N ATOM 407 CA PHE A 84 -11.711 -5.556 4.809 1.00 0.00 C ATOM 408 C PHE A 84 -12.133 -6.384 3.598 1.00 0.00 C ATOM 409 O PHE A 84 -13.261 -6.876 3.530 1.00 0.00 O ATOM 410 CB PHE A 84 -10.714 -6.346 5.658 1.00 0.00 C ATOM 411 CG PHE A 84 -10.195 -5.580 6.841 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.850 -5.634 8.060 1.00 0.00 C ATOM 413 CD2 PHE A 84 -9.051 -4.805 6.733 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.375 -4.930 9.151 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.571 -4.099 7.820 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.234 -4.161 9.030 1.00 0.00 C ATOM 0 H PHE A 84 -13.364 -5.963 6.033 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.232 -4.643 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.192 -7.260 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.873 -6.646 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.743 -6.233 8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.529 -4.752 5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.895 -4.981 10.096 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.678 -3.499 7.723 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.861 -3.609 9.880 1.00 0.00 H new ATOM 426 N LEU A 85 -11.221 -6.534 2.644 1.00 0.00 N ATOM 427 CA LEU A 85 -11.497 -7.301 1.435 1.00 0.00 C ATOM 428 C LEU A 85 -11.530 -8.796 1.735 1.00 0.00 C ATOM 429 O LEU A 85 -10.718 -9.303 2.510 1.00 0.00 O ATOM 430 CB LEU A 85 -10.441 -7.007 0.368 1.00 0.00 C ATOM 431 CG LEU A 85 -10.622 -5.705 -0.414 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.310 -5.280 -1.054 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.705 -5.864 -1.471 1.00 0.00 C ATOM 0 H LEU A 85 -10.283 -6.134 2.685 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.476 -7.002 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.463 -6.986 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.429 -7.835 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.933 -4.926 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.458 -4.352 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.560 -5.125 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.970 -6.058 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.820 -4.928 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.423 -6.657 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.648 -6.121 -0.989 1.00 0.00 H new ATOM 445 N HIS A 86 -12.472 -9.499 1.114 1.00 0.00 N ATOM 446 CA HIS A 86 -12.609 -10.937 1.312 1.00 0.00 C ATOM 447 C HIS A 86 -12.149 -11.702 0.075 1.00 0.00 C ATOM 448 O HIS A 86 -12.490 -12.871 -0.106 1.00 0.00 O ATOM 449 CB HIS A 86 -14.061 -11.293 1.635 1.00 0.00 C ATOM 450 CG HIS A 86 -14.398 -11.174 3.089 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.473 -11.815 3.668 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.793 -10.484 4.084 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.516 -11.523 4.955 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.507 -10.717 5.234 1.00 0.00 N ATOM 0 H HIS A 86 -13.152 -9.096 0.469 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.977 -11.225 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.722 -10.642 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.258 -12.314 1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.913 -9.865 3.991 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.251 -11.882 5.660 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.293 -10.331 6.153 1.00 0.00 H new ATOM 462 N GLU A 87 -11.373 -11.035 -0.773 1.00 0.00 N ATOM 463 CA GLU A 87 -10.867 -11.652 -1.993 1.00 0.00 C ATOM 464 C GLU A 87 -9.341 -11.639 -2.018 1.00 0.00 C ATOM 465 O GLU A 87 -8.715 -10.603 -1.797 1.00 0.00 O ATOM 466 CB GLU A 87 -11.415 -10.926 -3.224 1.00 0.00 C ATOM 467 CG GLU A 87 -11.125 -9.434 -3.229 1.00 0.00 C ATOM 468 CD GLU A 87 -11.689 -8.735 -4.450 1.00 0.00 C ATOM 469 OE1 GLU A 87 -11.193 -8.998 -5.566 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.625 -7.924 -4.291 1.00 0.00 O ATOM 0 H GLU A 87 -11.081 -10.067 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.204 -12.688 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.987 -11.374 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.493 -11.078 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.545 -8.983 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.047 -9.277 -3.190 1.00 0.00 H new ATOM 477 N TYR A 88 -8.750 -12.798 -2.288 1.00 0.00 N ATOM 478 CA TYR A 88 -7.298 -12.921 -2.339 1.00 0.00 C ATOM 479 C TYR A 88 -6.723 -12.114 -3.499 1.00 0.00 C ATOM 480 O TYR A 88 -6.810 -12.523 -4.658 1.00 0.00 O ATOM 481 CB TYR A 88 -6.895 -14.390 -2.476 1.00 0.00 C ATOM 482 CG TYR A 88 -5.603 -14.732 -1.768 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.374 -14.504 -2.376 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.611 -15.283 -0.493 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.191 -14.815 -1.734 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.433 -15.596 0.157 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.226 -15.360 -0.467 1.00 0.00 C ATOM 488 OH TYR A 88 -2.051 -15.672 0.177 1.00 0.00 O ATOM 0 H TYR A 88 -9.254 -13.665 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.892 -12.525 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.694 -15.016 -2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.795 -14.634 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.343 -14.076 -3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.554 -15.470 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.244 -14.633 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.457 -16.023 1.149 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.251 -16.046 1.061 1.00 0.00 H new ATOM 498 N ASP A 89 -6.136 -10.967 -3.179 1.00 0.00 N ATOM 499 CA ASP A 89 -5.544 -10.102 -4.193 1.00 0.00 C ATOM 500 C ASP A 89 -4.055 -9.896 -3.930 1.00 0.00 C ATOM 501 O ASP A 89 -3.623 -9.818 -2.781 1.00 0.00 O ATOM 502 CB ASP A 89 -6.261 -8.751 -4.223 1.00 0.00 C ATOM 503 CG ASP A 89 -7.421 -8.732 -5.199 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.543 -9.098 -4.792 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.206 -8.353 -6.369 1.00 0.00 O ATOM 0 H ASP A 89 -6.057 -10.614 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.660 -10.588 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.627 -8.515 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.549 -7.971 -4.494 1.00 0.00 H new ATOM 510 N MET A 90 -3.277 -9.810 -5.004 1.00 0.00 N ATOM 511 CA MET A 90 -1.836 -9.613 -4.889 1.00 0.00 C ATOM 512 C MET A 90 -1.501 -8.135 -4.722 1.00 0.00 C ATOM 513 O MET A 90 -0.400 -7.780 -4.299 1.00 0.00 O ATOM 514 CB MET A 90 -1.123 -10.174 -6.121 1.00 0.00 C ATOM 515 CG MET A 90 -0.746 -11.641 -5.990 1.00 0.00 C ATOM 516 SD MET A 90 0.924 -11.875 -5.354 1.00 0.00 S ATOM 517 CE MET A 90 0.645 -11.692 -3.594 1.00 0.00 C ATOM 0 H MET A 90 -3.619 -9.873 -5.963 1.00 0.00 H new ATOM 0 HA MET A 90 -1.491 -10.147 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.767 -10.049 -6.992 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.221 -9.591 -6.306 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.456 -12.137 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.830 -12.122 -6.964 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.531 -12.018 -3.049 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.442 -10.646 -3.365 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.208 -12.301 -3.296 1.00 0.00 H new ATOM 527 N THR A 91 -2.457 -7.274 -5.057 1.00 0.00 N ATOM 528 CA THR A 91 -2.263 -5.834 -4.945 1.00 0.00 C ATOM 529 C THR A 91 -3.023 -5.267 -3.752 1.00 0.00 C ATOM 530 O THR A 91 -2.523 -4.396 -3.040 1.00 0.00 O ATOM 531 CB THR A 91 -2.719 -5.105 -6.223 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.133 -5.251 -6.392 1.00 0.00 O ATOM 533 CG2 THR A 91 -1.998 -5.653 -7.446 1.00 0.00 C ATOM 0 H THR A 91 -3.374 -7.550 -5.408 1.00 0.00 H new ATOM 0 HA THR A 91 -1.195 -5.670 -4.803 1.00 0.00 H new ATOM 0 HB THR A 91 -2.473 -4.048 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.415 -4.783 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.337 -5.123 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.923 -5.514 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.217 -6.716 -7.552 1.00 0.00 H new ATOM 541 N LYS A 92 -4.235 -5.767 -3.537 1.00 0.00 N ATOM 542 CA LYS A 92 -5.065 -5.312 -2.428 1.00 0.00 C ATOM 543 C LYS A 92 -4.664 -6.004 -1.129 1.00 0.00 C ATOM 544 O LYS A 92 -5.429 -6.027 -0.165 1.00 0.00 O ATOM 545 CB LYS A 92 -6.542 -5.581 -2.726 1.00 0.00 C ATOM 546 CG LYS A 92 -6.988 -5.081 -4.089 1.00 0.00 C ATOM 547 CD LYS A 92 -7.608 -3.697 -4.000 1.00 0.00 C ATOM 548 CE LYS A 92 -6.560 -2.634 -3.709 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.104 -1.258 -3.878 1.00 0.00 N ATOM 0 H LYS A 92 -4.665 -6.488 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.914 -4.239 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.727 -6.653 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.152 -5.107 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.134 -5.055 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.710 -5.778 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.114 -3.463 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.366 -3.686 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.192 -2.756 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.708 -2.772 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.359 -0.562 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.432 -1.132 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.901 -1.117 -3.225 1.00 0.00 H new ATOM 563 N MET A 93 -3.459 -6.565 -1.110 1.00 0.00 N ATOM 564 CA MET A 93 -2.956 -7.254 0.073 1.00 0.00 C ATOM 565 C MET A 93 -1.653 -6.626 0.555 1.00 0.00 C ATOM 566 O MET A 93 -0.874 -6.076 -0.225 1.00 0.00 O ATOM 567 CB MET A 93 -2.739 -8.738 -0.230 1.00 0.00 C ATOM 568 CG MET A 93 -1.509 -9.011 -1.081 1.00 0.00 C ATOM 569 SD MET A 93 -1.326 -10.756 -1.497 1.00 0.00 S ATOM 570 CE MET A 93 -1.297 -11.492 0.136 1.00 0.00 C ATOM 0 H MET A 93 -2.813 -6.556 -1.900 1.00 0.00 H new ATOM 0 HA MET A 93 -3.700 -7.156 0.864 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.649 -9.283 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.619 -9.128 -0.742 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.570 -8.427 -1.999 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.620 -8.674 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.944 -12.521 0.065 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.627 -10.922 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.302 -11.482 0.558 1.00 0.00 H new ATOM 580 N PRO A 94 -1.407 -6.706 1.871 1.00 0.00 N ATOM 581 CA PRO A 94 -0.198 -6.151 2.487 1.00 0.00 C ATOM 582 C PRO A 94 1.056 -6.929 2.105 1.00 0.00 C ATOM 583 O PRO A 94 1.047 -8.159 2.069 1.00 0.00 O ATOM 584 CB PRO A 94 -0.472 -6.280 3.987 1.00 0.00 C ATOM 585 CG PRO A 94 -1.441 -7.406 4.099 1.00 0.00 C ATOM 586 CD PRO A 94 -2.291 -7.347 2.860 1.00 0.00 C ATOM 0 HA PRO A 94 -0.008 -5.128 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.444 -6.489 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.887 -5.358 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.922 -8.362 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.052 -7.307 4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.601 -8.341 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.199 -6.767 3.023 1.00 0.00 H new ATOM 594 N GLU A 95 2.134 -6.204 1.823 1.00 0.00 N ATOM 595 CA GLU A 95 3.396 -6.828 1.444 1.00 0.00 C ATOM 596 C GLU A 95 3.925 -7.713 2.570 1.00 0.00 C ATOM 597 O GLU A 95 3.500 -7.594 3.719 1.00 0.00 O ATOM 598 CB GLU A 95 4.433 -5.760 1.090 1.00 0.00 C ATOM 599 CG GLU A 95 3.964 -4.787 0.022 1.00 0.00 C ATOM 600 CD GLU A 95 4.572 -3.407 0.182 1.00 0.00 C ATOM 601 OE1 GLU A 95 5.639 -3.299 0.822 1.00 0.00 O ATOM 602 OE2 GLU A 95 3.980 -2.435 -0.333 1.00 0.00 O ATOM 0 H GLU A 95 2.159 -5.185 1.850 1.00 0.00 H new ATOM 0 HA GLU A 95 3.215 -7.452 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.689 -5.202 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.345 -6.250 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.221 -5.181 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.878 -4.708 0.060 1.00 0.00 H new ATOM 609 N CYS A 96 4.854 -8.600 2.230 1.00 0.00 N ATOM 610 CA CYS A 96 5.442 -9.506 3.210 1.00 0.00 C ATOM 611 C CYS A 96 6.038 -8.729 4.380 1.00 0.00 C ATOM 612 O CYS A 96 7.003 -7.981 4.215 1.00 0.00 O ATOM 613 CB CYS A 96 6.520 -10.370 2.554 1.00 0.00 C ATOM 614 SG CYS A 96 6.949 -11.868 3.498 1.00 0.00 S ATOM 0 H CYS A 96 5.216 -8.711 1.283 1.00 0.00 H new ATOM 0 HA CYS A 96 4.651 -10.152 3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.180 -10.664 1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.419 -9.769 2.418 1.00 0.00 H new ATOM 0 HG CYS A 96 6.694 -12.921 2.780 1.00 0.00 H new ATOM 619 N TYR A 97 5.459 -8.911 5.561 1.00 0.00 N ATOM 620 CA TYR A 97 5.931 -8.226 6.758 1.00 0.00 C ATOM 621 C TYR A 97 7.436 -8.409 6.932 1.00 0.00 C ATOM 622 O TYR A 97 8.139 -7.492 7.358 1.00 0.00 O ATOM 623 CB TYR A 97 5.197 -8.750 7.994 1.00 0.00 C ATOM 624 CG TYR A 97 6.008 -8.653 9.266 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.519 -7.434 9.696 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.263 -9.779 10.039 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.261 -7.341 10.858 1.00 0.00 C ATOM 628 CE2 TYR A 97 7.003 -9.695 11.202 1.00 0.00 C ATOM 629 CZ TYR A 97 7.500 -8.474 11.607 1.00 0.00 C ATOM 630 OH TYR A 97 8.238 -8.386 12.765 1.00 0.00 O ATOM 0 H TYR A 97 4.661 -9.528 5.715 1.00 0.00 H new ATOM 0 HA TYR A 97 5.723 -7.162 6.643 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.270 -8.190 8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.920 -9.791 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.333 -6.545 9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.876 -10.737 9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.652 -6.386 11.178 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.191 -10.580 11.791 1.00 0.00 H new ATOM 0 HH TYR A 97 9.179 -8.577 12.569 1.00 0.00 H new ATOM 640 N PHE A 98 7.924 -9.599 6.598 1.00 0.00 N ATOM 641 CA PHE A 98 9.345 -9.903 6.717 1.00 0.00 C ATOM 642 C PHE A 98 10.164 -9.063 5.742 1.00 0.00 C ATOM 643 O PHE A 98 10.972 -8.229 6.151 1.00 0.00 O ATOM 644 CB PHE A 98 9.592 -11.391 6.459 1.00 0.00 C ATOM 645 CG PHE A 98 8.913 -12.293 7.450 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.260 -12.256 8.791 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.929 -13.177 7.040 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.637 -13.084 9.705 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.302 -14.007 7.950 1.00 0.00 C ATOM 650 CZ PHE A 98 7.657 -13.962 9.284 1.00 0.00 C ATOM 0 H PHE A 98 7.356 -10.368 6.243 1.00 0.00 H new ATOM 0 HA PHE A 98 9.660 -9.660 7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.245 -11.640 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.665 -11.582 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.026 -11.572 9.126 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.649 -13.218 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.916 -13.045 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.535 -14.691 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.170 -14.611 9.996 1.00 0.00 H new ATOM 660 N TYR A 99 9.951 -9.290 4.451 1.00 0.00 N ATOM 661 CA TYR A 99 10.671 -8.556 3.417 1.00 0.00 C ATOM 662 C TYR A 99 10.372 -7.063 3.500 1.00 0.00 C ATOM 663 O TYR A 99 11.087 -6.242 2.925 1.00 0.00 O ATOM 664 CB TYR A 99 10.297 -9.087 2.032 1.00 0.00 C ATOM 665 CG TYR A 99 11.398 -8.934 1.007 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.358 -9.924 0.837 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.480 -7.799 0.209 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.367 -9.789 -0.097 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.484 -7.656 -0.729 1.00 0.00 C ATOM 670 CZ TYR A 99 13.425 -8.653 -0.878 1.00 0.00 C ATOM 671 OH TYR A 99 14.427 -8.514 -1.810 1.00 0.00 O ATOM 0 H TYR A 99 9.286 -9.976 4.095 1.00 0.00 H new ATOM 0 HA TYR A 99 11.739 -8.703 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.034 -10.141 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.408 -8.564 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.315 -10.815 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.746 -7.015 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.106 -10.568 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.532 -6.768 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 99 14.324 -7.658 -2.276 1.00 0.00 H new ATOM 681 N SER A 100 9.310 -6.717 4.220 1.00 0.00 N ATOM 682 CA SER A 100 8.913 -5.323 4.377 1.00 0.00 C ATOM 683 C SER A 100 9.591 -4.699 5.593 1.00 0.00 C ATOM 684 O SER A 100 9.797 -3.486 5.650 1.00 0.00 O ATOM 685 CB SER A 100 7.393 -5.216 4.515 1.00 0.00 C ATOM 686 OG SER A 100 7.008 -3.914 4.922 1.00 0.00 O ATOM 0 H SER A 100 8.709 -7.383 4.704 1.00 0.00 H new ATOM 0 HA SER A 100 9.229 -4.778 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.920 -5.457 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.038 -5.947 5.241 1.00 0.00 H new ATOM 0 HG SER A 100 6.032 -3.871 5.001 1.00 0.00 H new ATOM 692 N LYS A 101 9.935 -5.536 6.566 1.00 0.00 N ATOM 693 CA LYS A 101 10.590 -5.070 7.782 1.00 0.00 C ATOM 694 C LYS A 101 12.074 -5.424 7.770 1.00 0.00 C ATOM 695 O LYS A 101 12.932 -4.542 7.741 1.00 0.00 O ATOM 696 CB LYS A 101 9.919 -5.680 9.014 1.00 0.00 C ATOM 697 CG LYS A 101 10.258 -4.963 10.309 1.00 0.00 C ATOM 698 CD LYS A 101 11.573 -5.455 10.891 1.00 0.00 C ATOM 699 CE LYS A 101 11.587 -5.343 12.408 1.00 0.00 C ATOM 700 NZ LYS A 101 12.947 -5.578 12.968 1.00 0.00 N ATOM 0 H LYS A 101 9.771 -6.542 6.536 1.00 0.00 H new ATOM 0 HA LYS A 101 10.493 -3.985 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.838 -5.666 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.216 -6.725 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.318 -3.890 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.458 -5.119 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.735 -6.493 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.396 -4.875 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.239 -4.353 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.890 -6.065 12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.930 -5.427 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.241 -6.555 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.621 -4.917 12.532 1.00 0.00 H new ATOM 714 N PHE A 102 12.369 -6.719 7.791 1.00 0.00 N ATOM 715 CA PHE A 102 13.749 -7.189 7.782 1.00 0.00 C ATOM 716 C PHE A 102 14.335 -7.130 6.375 1.00 0.00 C ATOM 717 O PHE A 102 15.535 -6.926 6.198 1.00 0.00 O ATOM 718 CB PHE A 102 13.826 -8.620 8.319 1.00 0.00 C ATOM 719 CG PHE A 102 13.206 -8.785 9.677 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.865 -9.109 9.806 1.00 0.00 C ATOM 721 CD2 PHE A 102 13.964 -8.617 10.825 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.292 -9.260 11.055 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.396 -8.768 12.076 1.00 0.00 C ATOM 724 CZ PHE A 102 12.058 -9.091 12.191 1.00 0.00 C ATOM 0 H PHE A 102 11.671 -7.462 7.814 1.00 0.00 H new ATOM 0 HA PHE A 102 14.334 -6.534 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.329 -9.290 7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.871 -8.926 8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.261 -9.245 8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.011 -8.365 10.741 1.00 0.00 H new ATOM 0 HE1 PHE A 102 10.245 -9.510 11.142 1.00 0.00 H new ATOM 0 HE2 PHE A 102 13.998 -8.634 12.963 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.612 -9.211 13.167 1.00 0.00 H new ATOM 734 N GLY A 103 13.477 -7.311 5.375 1.00 0.00 N ATOM 735 CA GLY A 103 13.927 -7.276 3.996 1.00 0.00 C ATOM 736 C GLY A 103 14.659 -8.540 3.592 1.00 0.00 C ATOM 737 O GLY A 103 15.547 -8.506 2.741 1.00 0.00 O ATOM 0 H GLY A 103 12.479 -7.481 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.068 -7.132 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.584 -6.418 3.853 1.00 0.00 H new ATOM 741 N GLU A 104 14.287 -9.659 4.206 1.00 0.00 N ATOM 742 CA GLU A 104 14.917 -10.940 3.906 1.00 0.00 C ATOM 743 C GLU A 104 13.905 -12.078 3.996 1.00 0.00 C ATOM 744 O GLU A 104 13.419 -12.408 5.078 1.00 0.00 O ATOM 745 CB GLU A 104 16.079 -11.198 4.868 1.00 0.00 C ATOM 746 CG GLU A 104 17.011 -10.009 5.031 1.00 0.00 C ATOM 747 CD GLU A 104 18.006 -9.887 3.893 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.908 -10.745 3.800 1.00 0.00 O ATOM 749 OE2 GLU A 104 17.882 -8.934 3.096 1.00 0.00 O ATOM 0 H GLU A 104 13.554 -9.705 4.913 1.00 0.00 H new ATOM 0 HA GLU A 104 15.300 -10.898 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.678 -11.471 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.653 -12.052 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.420 -9.095 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.552 -10.102 5.973 1.00 0.00 H new ATOM 756 N CYS A 105 13.593 -12.675 2.851 1.00 0.00 N ATOM 757 CA CYS A 105 12.639 -13.776 2.798 1.00 0.00 C ATOM 758 C CYS A 105 13.108 -14.857 1.827 1.00 0.00 C ATOM 759 O CYS A 105 13.267 -14.606 0.633 1.00 0.00 O ATOM 760 CB CYS A 105 11.259 -13.264 2.378 1.00 0.00 C ATOM 761 SG CYS A 105 9.878 -14.328 2.906 1.00 0.00 S ATOM 0 H CYS A 105 13.987 -12.415 1.947 1.00 0.00 H new ATOM 0 HA CYS A 105 12.571 -14.211 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.113 -12.266 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.234 -13.167 1.293 1.00 0.00 H new ATOM 0 HG CYS A 105 8.829 -13.595 3.136 1.00 0.00 H new ATOM 766 N SER A 106 13.328 -16.059 2.350 1.00 0.00 N ATOM 767 CA SER A 106 13.783 -17.177 1.532 1.00 0.00 C ATOM 768 C SER A 106 12.604 -18.034 1.081 1.00 0.00 C ATOM 769 O SER A 106 12.671 -19.262 1.106 1.00 0.00 O ATOM 770 CB SER A 106 14.783 -18.033 2.311 1.00 0.00 C ATOM 771 OG SER A 106 14.222 -18.489 3.531 1.00 0.00 O ATOM 0 H SER A 106 13.198 -16.284 3.337 1.00 0.00 H new ATOM 0 HA SER A 106 14.275 -16.772 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.086 -18.887 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.682 -17.452 2.515 1.00 0.00 H new ATOM 0 HG SER A 106 14.880 -19.035 4.010 1.00 0.00 H new ATOM 777 N ASN A 107 11.525 -17.376 0.669 1.00 0.00 N ATOM 778 CA ASN A 107 10.331 -18.078 0.212 1.00 0.00 C ATOM 779 C ASN A 107 10.098 -17.843 -1.277 1.00 0.00 C ATOM 780 O ASN A 107 9.550 -16.816 -1.678 1.00 0.00 O ATOM 781 CB ASN A 107 9.108 -17.617 1.009 1.00 0.00 C ATOM 782 CG ASN A 107 9.023 -18.279 2.371 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.994 -18.864 2.851 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.857 -18.190 3.001 1.00 0.00 N ATOM 0 H ASN A 107 11.453 -16.359 0.642 1.00 0.00 H new ATOM 0 HA ASN A 107 10.483 -19.145 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.147 -16.535 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.204 -17.839 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.740 -18.616 3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.079 -17.695 2.566 1.00 0.00 H new ATOM 791 N LYS A 108 10.519 -18.803 -2.094 1.00 0.00 N ATOM 792 CA LYS A 108 10.356 -18.704 -3.540 1.00 0.00 C ATOM 793 C LYS A 108 8.879 -18.655 -3.918 1.00 0.00 C ATOM 794 O LYS A 108 8.510 -18.077 -4.940 1.00 0.00 O ATOM 795 CB LYS A 108 11.032 -19.889 -4.232 1.00 0.00 C ATOM 796 CG LYS A 108 10.397 -21.229 -3.903 1.00 0.00 C ATOM 797 CD LYS A 108 10.557 -22.218 -5.045 1.00 0.00 C ATOM 798 CE LYS A 108 11.845 -23.017 -4.914 1.00 0.00 C ATOM 799 NZ LYS A 108 12.989 -22.338 -5.582 1.00 0.00 N ATOM 0 H LYS A 108 10.976 -19.659 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 108 10.829 -17.780 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.999 -19.736 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.083 -19.915 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.853 -21.637 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.338 -21.088 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.706 -22.898 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.555 -21.683 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.076 -23.164 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.705 -24.006 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.848 -22.914 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.780 -22.221 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.139 -21.404 -5.149 1.00 0.00 H new ATOM 813 N GLU A 109 8.039 -19.265 -3.088 1.00 0.00 N ATOM 814 CA GLU A 109 6.603 -19.289 -3.337 1.00 0.00 C ATOM 815 C GLU A 109 5.850 -18.516 -2.258 1.00 0.00 C ATOM 816 O GLU A 109 4.845 -18.988 -1.726 1.00 0.00 O ATOM 817 CB GLU A 109 6.096 -20.732 -3.392 1.00 0.00 C ATOM 818 CG GLU A 109 6.426 -21.444 -4.693 1.00 0.00 C ATOM 819 CD GLU A 109 5.817 -22.830 -4.771 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.777 -23.058 -4.119 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.381 -23.688 -5.482 1.00 0.00 O ATOM 0 H GLU A 109 8.328 -19.749 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 109 6.420 -18.810 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.527 -21.292 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.015 -20.734 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.067 -20.846 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.508 -21.521 -4.796 1.00 0.00 H new ATOM 828 N CYS A 110 6.345 -17.324 -1.939 1.00 0.00 N ATOM 829 CA CYS A 110 5.722 -16.484 -0.923 1.00 0.00 C ATOM 830 C CYS A 110 4.509 -15.753 -1.491 1.00 0.00 C ATOM 831 O CYS A 110 4.609 -14.978 -2.443 1.00 0.00 O ATOM 832 CB CYS A 110 6.732 -15.472 -0.379 1.00 0.00 C ATOM 833 SG CYS A 110 6.272 -14.757 1.232 1.00 0.00 S ATOM 0 H CYS A 110 7.176 -16.918 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 110 5.388 -17.128 -0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.703 -15.958 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.848 -14.665 -1.103 1.00 0.00 H new ATOM 0 HG CYS A 110 7.341 -14.584 1.951 1.00 0.00 H new ATOM 838 N PRO A 111 3.334 -16.004 -0.895 1.00 0.00 N ATOM 839 CA PRO A 111 2.079 -15.380 -1.324 1.00 0.00 C ATOM 840 C PRO A 111 2.034 -13.890 -1.004 1.00 0.00 C ATOM 841 O PRO A 111 1.021 -13.227 -1.229 1.00 0.00 O ATOM 842 CB PRO A 111 1.015 -16.132 -0.520 1.00 0.00 C ATOM 843 CG PRO A 111 1.733 -16.626 0.688 1.00 0.00 C ATOM 844 CD PRO A 111 3.140 -16.917 0.244 1.00 0.00 C ATOM 0 HA PRO A 111 1.941 -15.443 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.187 -15.477 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.593 -16.957 -1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.721 -15.879 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.256 -17.522 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.860 -16.726 1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.261 -17.959 -0.051 1.00 0.00 H new ATOM 852 N PHE A 112 3.137 -13.369 -0.478 1.00 0.00 N ATOM 853 CA PHE A 112 3.223 -11.956 -0.126 1.00 0.00 C ATOM 854 C PHE A 112 4.093 -11.199 -1.125 1.00 0.00 C ATOM 855 O PHE A 112 4.890 -11.797 -1.850 1.00 0.00 O ATOM 856 CB PHE A 112 3.789 -11.794 1.286 1.00 0.00 C ATOM 857 CG PHE A 112 2.774 -12.025 2.369 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.729 -11.136 2.559 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.866 -13.132 3.198 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.793 -11.346 3.554 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.933 -13.348 4.194 1.00 0.00 C ATOM 862 CZ PHE A 112 0.896 -12.453 4.373 1.00 0.00 C ATOM 0 H PHE A 112 3.984 -13.904 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 112 2.217 -11.537 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.616 -12.491 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.199 -10.790 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.645 -10.268 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.676 -13.834 3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.018 -10.646 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.014 -14.216 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.167 -12.619 5.152 1.00 0.00 H new ATOM 872 N LEU A 113 3.936 -9.880 -1.157 1.00 0.00 N ATOM 873 CA LEU A 113 4.706 -9.040 -2.067 1.00 0.00 C ATOM 874 C LEU A 113 6.128 -8.841 -1.553 1.00 0.00 C ATOM 875 O LEU A 113 6.342 -8.598 -0.365 1.00 0.00 O ATOM 876 CB LEU A 113 4.021 -7.683 -2.243 1.00 0.00 C ATOM 877 CG LEU A 113 2.608 -7.715 -2.827 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.597 -8.097 -1.757 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.254 -6.369 -3.442 1.00 0.00 C ATOM 0 H LEU A 113 3.282 -9.370 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 113 4.755 -9.544 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.980 -7.191 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.645 -7.064 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 113 2.577 -8.470 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.597 -8.115 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.839 -9.084 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.629 -7.366 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.245 -6.411 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.302 -5.595 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.960 -6.136 -4.239 1.00 0.00 H new ATOM 891 N HIS A 114 7.098 -8.945 -2.456 1.00 0.00 N ATOM 892 CA HIS A 114 8.501 -8.774 -2.093 1.00 0.00 C ATOM 893 C HIS A 114 9.078 -7.514 -2.734 1.00 0.00 C ATOM 894 O HIS A 114 9.448 -7.518 -3.908 1.00 0.00 O ATOM 895 CB HIS A 114 9.313 -9.996 -2.523 1.00 0.00 C ATOM 896 CG HIS A 114 9.389 -11.063 -1.474 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.934 -12.308 -1.706 1.00 0.00 N ATOM 898 CD2 HIS A 114 8.986 -11.064 -0.182 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.862 -13.030 -0.602 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.291 -12.298 0.338 1.00 0.00 N ATOM 0 H HIS A 114 6.939 -9.147 -3.443 1.00 0.00 H new ATOM 0 HA HIS A 114 8.561 -8.670 -1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.871 -10.417 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.323 -9.679 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.513 -10.247 0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.211 -14.046 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.107 -12.600 1.295 1.00 0.00 H new ATOM 908 N ILE A 115 9.150 -6.440 -1.955 1.00 0.00 N ATOM 909 CA ILE A 115 9.681 -5.175 -2.447 1.00 0.00 C ATOM 910 C ILE A 115 11.021 -4.851 -1.794 1.00 0.00 C ATOM 911 O ILE A 115 11.201 -5.048 -0.592 1.00 0.00 O ATOM 912 CB ILE A 115 8.703 -4.015 -2.188 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.368 -4.278 -2.888 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.304 -2.699 -2.660 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.300 -3.260 -2.555 1.00 0.00 C ATOM 0 H ILE A 115 8.847 -6.421 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 115 9.821 -5.288 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 115 8.522 -3.945 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.528 -4.286 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 115 7.011 -5.270 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.600 -1.889 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.232 -2.508 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.511 -2.756 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.381 -3.509 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.112 -3.268 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.636 -2.268 -2.857 1.00 0.00 H new ATOM 927 N ASP A 116 11.957 -4.352 -2.593 1.00 0.00 N ATOM 928 CA ASP A 116 13.280 -3.997 -2.093 1.00 0.00 C ATOM 929 C ASP A 116 13.179 -2.969 -0.970 1.00 0.00 C ATOM 930 O ASP A 116 12.382 -2.032 -1.024 1.00 0.00 O ATOM 931 CB ASP A 116 14.147 -3.448 -3.227 1.00 0.00 C ATOM 932 CG ASP A 116 15.625 -3.699 -3.000 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.999 -4.868 -2.768 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.406 -2.727 -3.054 1.00 0.00 O ATOM 0 H ASP A 116 11.824 -4.184 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 116 13.745 -4.899 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.844 -3.908 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.975 -2.376 -3.326 1.00 0.00 H new