USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 39 CYS SG : rot -82:sc= -16.1! USER MOD Set 1.2: A 60 CYS SG : rot -76:sc= -17.1! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 22:sc= 0.674 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.474 USER MOD Single : A 32 TYR OH : rot 105:sc= 0.454 USER MOD Single : A 33 ASN : amide:sc= 0.585 K(o=0.58,f=-7!) USER MOD Single : A 34 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -0.737 K(o=-0.74,f=-2.1!) USER MOD Single : A 36 THR OG1 : rot -126:sc= 0.892 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.87! C(o=-7.9!,f=-11!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.63! C(o=-4.6!,f=-13!) USER MOD Single : A 53 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= -2.5 (180deg=-2.69) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0133 F(o=-0.73,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 -3.593 6.772 -5.917 1.00 1.00 N ATOM 146 CA LYS A 10 -4.689 6.653 -6.863 1.00 1.00 C ATOM 147 C LYS A 10 -5.961 6.248 -6.114 1.00 1.00 C ATOM 148 O LYS A 10 -5.850 5.530 -5.110 1.00 1.00 O ATOM 149 CB LYS A 10 -4.315 5.700 -7.999 1.00 1.00 C ATOM 150 CG LYS A 10 -4.302 6.429 -9.344 1.00 1.00 C ATOM 151 CD LYS A 10 -4.944 5.574 -10.439 1.00 1.00 C ATOM 152 CE LYS A 10 -3.907 5.144 -11.477 1.00 1.00 C ATOM 153 NZ LYS A 10 -3.182 3.947 -11.018 1.00 1.00 N ATOM 0 HA LYS A 10 -4.889 7.614 -7.337 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -3.334 5.267 -7.807 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -5.026 4.875 -8.035 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -4.838 7.374 -9.254 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -3.276 6.670 -9.621 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -5.405 4.692 -9.994 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -5.739 6.138 -10.926 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -4.400 4.936 -12.427 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -3.203 5.957 -11.654 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -2.482 3.669 -11.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -2.696 4.157 -10.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -3.855 3.168 -10.871 1.00 1.00 H new ATOM 167 N PRO A 11 -7.124 6.709 -6.609 1.00 1.00 N ATOM 168 CA PRO A 11 -8.418 6.417 -6.017 1.00 1.00 C ATOM 169 C PRO A 11 -8.787 4.944 -6.204 1.00 1.00 C ATOM 170 O PRO A 11 -9.156 4.566 -7.326 1.00 1.00 O ATOM 171 CB PRO A 11 -9.388 7.364 -6.706 1.00 1.00 C ATOM 172 CG PRO A 11 -8.691 7.821 -7.977 1.00 1.00 C ATOM 173 CD PRO A 11 -7.223 7.443 -7.867 1.00 1.00 C ATOM 0 HA PRO A 11 -8.431 6.570 -4.938 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -10.328 6.862 -6.935 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -9.627 8.212 -6.065 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -9.142 7.349 -8.850 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -8.799 8.898 -8.105 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -6.908 6.828 -8.710 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -6.586 8.327 -7.861 1.00 1.00 H new ATOM 181 N ASP A 12 -8.681 4.154 -5.120 1.00 1.00 N ATOM 182 CA ASP A 12 -9.001 2.738 -5.165 1.00 1.00 C ATOM 183 C ASP A 12 -10.475 2.563 -5.535 1.00 1.00 C ATOM 184 O ASP A 12 -10.812 1.541 -6.150 1.00 1.00 O ATOM 185 CB ASP A 12 -8.774 2.078 -3.803 1.00 1.00 C ATOM 186 CG ASP A 12 -7.378 1.487 -3.596 1.00 1.00 C ATOM 187 OD1 ASP A 12 -6.369 2.207 -3.628 1.00 1.00 O ATOM 188 OD2 ASP A 12 -7.350 0.214 -3.391 1.00 1.00 O ATOM 0 H ASP A 12 -8.374 4.485 -4.205 1.00 1.00 H new ATOM 0 HA ASP A 12 -8.352 2.270 -5.905 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -8.959 2.816 -3.023 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -9.511 1.285 -3.673 1.00 1.00 H new ATOM 193 N PHE A 13 -11.311 3.548 -5.159 1.00 1.00 N ATOM 194 CA PHE A 13 -12.734 3.504 -5.450 1.00 1.00 C ATOM 195 C PHE A 13 -12.937 3.332 -6.957 1.00 1.00 C ATOM 196 O PHE A 13 -13.963 2.760 -7.352 1.00 1.00 O ATOM 197 CB PHE A 13 -13.394 4.805 -4.953 1.00 1.00 C ATOM 198 CG PHE A 13 -13.087 6.035 -5.797 1.00 1.00 C ATOM 199 CD1 PHE A 13 -13.575 6.133 -7.121 1.00 1.00 C ATOM 200 CD2 PHE A 13 -12.306 7.084 -5.261 1.00 1.00 C ATOM 201 CE1 PHE A 13 -13.285 7.273 -7.901 1.00 1.00 C ATOM 202 CE2 PHE A 13 -12.017 8.224 -6.042 1.00 1.00 C ATOM 203 CZ PHE A 13 -12.506 8.318 -7.362 1.00 1.00 C ATOM 0 H PHE A 13 -11.013 4.381 -4.652 1.00 1.00 H new ATOM 0 HA PHE A 13 -13.197 2.660 -4.938 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -14.474 4.661 -4.924 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -13.070 4.993 -3.929 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -14.171 5.334 -7.536 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -11.929 7.013 -4.251 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -13.660 7.345 -8.911 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -11.421 9.025 -5.629 1.00 1.00 H new ATOM 0 HZ PHE A 13 -12.284 9.190 -7.960 1.00 1.00 H new ATOM 213 N CYS A 14 -11.972 3.823 -7.754 1.00 1.00 N ATOM 214 CA CYS A 14 -12.045 3.725 -9.202 1.00 1.00 C ATOM 215 C CYS A 14 -12.024 2.250 -9.610 1.00 1.00 C ATOM 216 O CYS A 14 -12.755 1.886 -10.543 1.00 1.00 O ATOM 217 CB CYS A 14 -10.917 4.517 -9.867 1.00 1.00 C ATOM 218 SG CYS A 14 -11.217 6.304 -9.999 1.00 1.00 S ATOM 0 H CYS A 14 -11.134 4.291 -7.408 1.00 1.00 H new ATOM 0 HA CYS A 14 -12.980 4.167 -9.547 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -9.998 4.358 -9.303 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -10.751 4.116 -10.867 1.00 1.00 H new ATOM 224 N PHE A 15 -11.201 1.445 -8.916 1.00 1.00 N ATOM 225 CA PHE A 15 -11.088 0.025 -9.205 1.00 1.00 C ATOM 226 C PHE A 15 -12.270 -0.714 -8.573 1.00 1.00 C ATOM 227 O PHE A 15 -12.358 -1.939 -8.743 1.00 1.00 O ATOM 228 CB PHE A 15 -9.752 -0.502 -8.647 1.00 1.00 C ATOM 229 CG PHE A 15 -8.557 0.408 -8.896 1.00 1.00 C ATOM 230 CD1 PHE A 15 -8.242 0.830 -10.209 1.00 1.00 C ATOM 231 CD2 PHE A 15 -7.750 0.830 -7.815 1.00 1.00 C ATOM 232 CE1 PHE A 15 -7.130 1.670 -10.437 1.00 1.00 C ATOM 233 CE2 PHE A 15 -6.639 1.670 -8.043 1.00 1.00 C ATOM 234 CZ PHE A 15 -6.330 2.090 -9.354 1.00 1.00 C ATOM 0 H PHE A 15 -10.607 1.765 -8.151 1.00 1.00 H new ATOM 0 HA PHE A 15 -11.107 -0.143 -10.282 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -9.857 -0.655 -7.573 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -9.548 -1.477 -9.090 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -8.854 0.509 -11.039 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -7.984 0.508 -6.811 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.892 1.991 -11.440 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -6.026 1.991 -7.214 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.480 2.734 -9.528 1.00 1.00 H new ATOM 244 N LEU A 16 -13.140 0.031 -7.869 1.00 1.00 N ATOM 245 CA LEU A 16 -14.303 -0.550 -7.220 1.00 1.00 C ATOM 246 C LEU A 16 -15.355 -0.890 -8.277 1.00 1.00 C ATOM 247 O LEU A 16 -15.724 0.005 -9.051 1.00 1.00 O ATOM 248 CB LEU A 16 -14.818 0.375 -6.115 1.00 1.00 C ATOM 249 CG LEU A 16 -15.229 -0.305 -4.808 1.00 1.00 C ATOM 250 CD1 LEU A 16 -14.002 -0.759 -4.016 1.00 1.00 C ATOM 251 CD2 LEU A 16 -16.141 0.603 -3.981 1.00 1.00 C ATOM 0 H LEU A 16 -13.049 1.039 -7.741 1.00 1.00 H new ATOM 0 HA LEU A 16 -14.036 -1.483 -6.724 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -14.043 1.108 -5.892 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -15.676 0.926 -6.500 1.00 1.00 H new ATOM 0 HG LEU A 16 -15.802 -1.199 -5.054 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -14.323 -1.239 -3.092 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -13.426 -1.467 -4.612 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -13.381 0.105 -3.780 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -16.419 0.096 -3.057 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -15.615 1.528 -3.743 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -17.040 0.834 -4.553 1.00 1.00 H new ATOM 263 N GLU A 17 -15.808 -2.156 -8.290 1.00 1.00 N ATOM 264 CA GLU A 17 -16.807 -2.607 -9.244 1.00 1.00 C ATOM 265 C GLU A 17 -17.942 -1.583 -9.309 1.00 1.00 C ATOM 266 O GLU A 17 -18.230 -0.955 -8.280 1.00 1.00 O ATOM 267 CB GLU A 17 -17.341 -3.995 -8.884 1.00 1.00 C ATOM 268 CG GLU A 17 -17.399 -4.185 -7.367 1.00 1.00 C ATOM 269 CD GLU A 17 -18.447 -5.232 -6.985 1.00 1.00 C ATOM 270 OE1 GLU A 17 -19.123 -5.712 -7.973 1.00 1.00 O ATOM 271 OE2 GLU A 17 -18.594 -5.557 -5.797 1.00 1.00 O ATOM 0 H GLU A 17 -15.490 -2.878 -7.644 1.00 1.00 H new ATOM 0 HA GLU A 17 -16.341 -2.691 -10.226 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -18.336 -4.127 -9.309 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -16.702 -4.760 -9.326 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -16.421 -4.493 -6.998 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -17.636 -3.236 -6.887 1.00 1.00 H new ATOM 278 N GLU A 18 -18.554 -1.437 -10.498 1.00 1.00 N ATOM 279 CA GLU A 18 -19.645 -0.498 -10.693 1.00 1.00 C ATOM 280 C GLU A 18 -20.847 -0.939 -9.854 1.00 1.00 C ATOM 281 O GLU A 18 -21.020 -2.151 -9.664 1.00 1.00 O ATOM 282 CB GLU A 18 -20.024 -0.374 -12.170 1.00 1.00 C ATOM 283 CG GLU A 18 -21.090 -1.404 -12.551 1.00 1.00 C ATOM 284 CD GLU A 18 -20.852 -1.943 -13.963 1.00 1.00 C ATOM 285 OE1 GLU A 18 -19.776 -2.641 -14.106 1.00 1.00 O ATOM 286 OE2 GLU A 18 -21.664 -1.696 -14.866 1.00 1.00 O ATOM 0 H GLU A 18 -18.302 -1.965 -11.334 1.00 1.00 H new ATOM 0 HA GLU A 18 -19.319 0.489 -10.366 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -20.396 0.631 -12.371 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -19.138 -0.516 -12.790 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -21.077 -2.227 -11.837 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -22.078 -0.948 -12.494 1.00 1.00 H new ATOM 293 N ASP A 19 -21.639 0.038 -9.377 1.00 1.00 N ATOM 294 CA ASP A 19 -22.812 -0.248 -8.568 1.00 1.00 C ATOM 295 C ASP A 19 -23.883 0.810 -8.839 1.00 1.00 C ATOM 296 O ASP A 19 -23.707 1.955 -8.397 1.00 1.00 O ATOM 297 CB ASP A 19 -22.474 -0.207 -7.076 1.00 1.00 C ATOM 298 CG ASP A 19 -23.387 -1.049 -6.183 1.00 1.00 C ATOM 299 OD1 ASP A 19 -24.473 -0.463 -5.807 1.00 1.00 O ATOM 300 OD2 ASP A 19 -23.078 -2.207 -5.865 1.00 1.00 O ATOM 0 H ASP A 19 -21.478 1.031 -9.545 1.00 1.00 H new ATOM 0 HA ASP A 19 -23.169 -1.244 -8.830 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -21.447 -0.546 -6.942 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -22.515 0.828 -6.738 1.00 1.00 H new ATOM 305 N PRO A 20 -24.955 0.413 -9.548 1.00 1.00 N ATOM 306 CA PRO A 20 -26.060 1.292 -9.891 1.00 1.00 C ATOM 307 C PRO A 20 -27.025 1.445 -8.713 1.00 1.00 C ATOM 308 O PRO A 20 -27.678 2.494 -8.619 1.00 1.00 O ATOM 309 CB PRO A 20 -26.707 0.654 -11.110 1.00 1.00 C ATOM 310 CG PRO A 20 -26.234 -0.791 -11.124 1.00 1.00 C ATOM 311 CD PRO A 20 -25.068 -0.909 -10.157 1.00 1.00 C ATOM 0 HA PRO A 20 -25.735 2.308 -10.115 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -27.794 0.709 -11.049 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -26.413 1.170 -12.024 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -27.043 -1.460 -10.830 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -25.928 -1.083 -12.129 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -25.253 -1.676 -9.405 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -24.150 -1.186 -10.676 1.00 1.00 H new ATOM 319 N GLY A 21 -27.094 0.413 -7.854 1.00 1.00 N ATOM 320 CA GLY A 21 -27.971 0.433 -6.695 1.00 1.00 C ATOM 321 C GLY A 21 -29.332 -0.148 -7.081 1.00 1.00 C ATOM 322 O GLY A 21 -29.361 -1.138 -7.828 1.00 1.00 O ATOM 0 H GLY A 21 -26.547 -0.443 -7.951 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -27.532 -0.147 -5.883 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -28.088 1.454 -6.331 1.00 1.00 H new ATOM 326 N ILE A 22 -30.416 0.466 -6.574 1.00 1.00 N ATOM 327 CA ILE A 22 -31.765 0.013 -6.864 1.00 1.00 C ATOM 328 C ILE A 22 -32.451 1.022 -7.787 1.00 1.00 C ATOM 329 O ILE A 22 -32.464 0.793 -9.005 1.00 1.00 O ATOM 330 CB ILE A 22 -32.531 -0.254 -5.567 1.00 1.00 C ATOM 331 CG1 ILE A 22 -31.858 0.440 -4.380 1.00 1.00 C ATOM 332 CG2 ILE A 22 -32.705 -1.755 -5.331 1.00 1.00 C ATOM 333 CD1 ILE A 22 -32.699 0.292 -3.110 1.00 1.00 C ATOM 0 H ILE A 22 -30.371 1.279 -5.960 1.00 1.00 H new ATOM 0 HA ILE A 22 -31.741 -0.939 -7.395 1.00 1.00 H new ATOM 0 HB ILE A 22 -33.529 0.173 -5.666 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -30.869 0.012 -4.217 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -31.715 1.497 -4.605 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -33.253 -1.916 -4.402 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -33.261 -2.192 -6.161 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -31.726 -2.228 -5.261 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -32.199 0.794 -2.282 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -33.679 0.742 -3.268 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -32.819 -0.765 -2.874 1.00 1.00 H new ATOM 345 N CYS A 23 -32.997 2.102 -7.199 1.00 1.00 N ATOM 346 CA CYS A 23 -33.676 3.134 -7.964 1.00 1.00 C ATOM 347 C CYS A 23 -33.145 3.132 -9.399 1.00 1.00 C ATOM 348 O CYS A 23 -31.947 3.390 -9.584 1.00 1.00 O ATOM 349 CB CYS A 23 -33.523 4.503 -7.299 1.00 1.00 C ATOM 350 SG CYS A 23 -31.880 5.257 -7.477 1.00 1.00 S ATOM 0 H CYS A 23 -32.975 2.272 -6.194 1.00 1.00 H new ATOM 0 HA CYS A 23 -34.744 2.920 -7.991 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -34.266 5.181 -7.720 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -33.748 4.403 -6.237 1.00 1.00 H new ATOM 0 HG CYS A 23 -31.271 4.734 -8.499 1.00 1.00 H new ATOM 356 N ARG A 24 -34.032 2.847 -10.369 1.00 1.00 N ATOM 357 CA ARG A 24 -33.654 2.813 -11.771 1.00 1.00 C ATOM 358 C ARG A 24 -32.702 3.974 -12.067 1.00 1.00 C ATOM 359 O ARG A 24 -31.518 3.715 -12.327 1.00 1.00 O ATOM 360 CB ARG A 24 -34.875 2.918 -12.687 1.00 1.00 C ATOM 361 CG ARG A 24 -35.992 3.726 -12.021 1.00 1.00 C ATOM 362 CD ARG A 24 -37.158 2.821 -11.619 1.00 1.00 C ATOM 363 NE ARG A 24 -38.210 2.858 -12.659 1.00 1.00 N ATOM 364 CZ ARG A 24 -39.104 3.859 -12.796 1.00 1.00 C ATOM 365 NH1 ARG A 24 -39.055 4.895 -11.947 1.00 1.00 N ATOM 366 NH2 ARG A 24 -40.028 3.819 -13.766 1.00 1.00 N ATOM 0 H ARG A 24 -35.015 2.638 -10.195 1.00 1.00 H new ATOM 0 HA ARG A 24 -33.165 1.859 -11.965 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -34.590 3.391 -13.627 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -35.239 1.920 -12.930 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -35.602 4.235 -11.140 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -36.345 4.498 -12.705 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -36.805 1.799 -11.483 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -37.569 3.146 -10.663 1.00 1.00 H new ATOM 0 HE ARG A 24 -38.263 2.077 -13.314 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -38.349 4.918 -11.211 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -39.724 5.660 -12.037 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -40.059 3.027 -14.408 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -40.700 4.580 -13.862 1.00 1.00 H new ATOM 380 N GLY A 25 -33.229 5.211 -12.022 1.00 1.00 N ATOM 381 CA GLY A 25 -32.432 6.398 -12.282 1.00 1.00 C ATOM 382 C GLY A 25 -31.255 6.027 -13.187 1.00 1.00 C ATOM 383 O GLY A 25 -30.107 6.280 -12.793 1.00 1.00 O ATOM 0 H GLY A 25 -34.207 5.403 -11.806 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -33.044 7.164 -12.758 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -32.067 6.818 -11.345 1.00 1.00 H new ATOM 387 N TYR A 26 -31.557 5.445 -14.361 1.00 1.00 N ATOM 388 CA TYR A 26 -30.484 5.065 -15.264 1.00 1.00 C ATOM 389 C TYR A 26 -29.877 6.324 -15.886 1.00 1.00 C ATOM 390 O TYR A 26 -30.650 7.187 -16.327 1.00 1.00 O ATOM 391 CB TYR A 26 -31.021 4.098 -16.335 1.00 1.00 C ATOM 392 CG TYR A 26 -31.365 2.709 -15.815 1.00 1.00 C ATOM 393 CD1 TYR A 26 -30.921 2.302 -14.536 1.00 1.00 C ATOM 394 CD2 TYR A 26 -32.134 1.821 -16.602 1.00 1.00 C ATOM 395 CE1 TYR A 26 -31.240 1.017 -14.049 1.00 1.00 C ATOM 396 CE2 TYR A 26 -32.454 0.536 -16.115 1.00 1.00 C ATOM 397 CZ TYR A 26 -32.006 0.132 -14.838 1.00 1.00 C ATOM 398 OH TYR A 26 -32.312 -1.112 -14.363 1.00 1.00 O ATOM 0 H TYR A 26 -32.501 5.238 -14.688 1.00 1.00 H new ATOM 0 HA TYR A 26 -29.698 4.545 -14.717 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -31.912 4.534 -16.786 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -30.277 4.002 -17.126 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -30.336 2.977 -13.930 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -32.478 2.127 -17.579 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -30.898 0.710 -13.072 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -33.042 -0.139 -16.719 1.00 1.00 H new ATOM 0 HH TYR A 26 -32.846 -1.594 -15.029 1.00 1.00 H new ATOM 408 N ILE A 27 -28.535 6.410 -15.902 1.00 1.00 N ATOM 409 CA ILE A 27 -27.843 7.562 -16.456 1.00 1.00 C ATOM 410 C ILE A 27 -26.502 7.114 -17.040 1.00 1.00 C ATOM 411 O ILE A 27 -25.784 6.365 -16.361 1.00 1.00 O ATOM 412 CB ILE A 27 -27.718 8.667 -15.406 1.00 1.00 C ATOM 413 CG1 ILE A 27 -28.704 8.447 -14.257 1.00 1.00 C ATOM 414 CG2 ILE A 27 -27.879 10.049 -16.043 1.00 1.00 C ATOM 415 CD1 ILE A 27 -28.450 9.438 -13.119 1.00 1.00 C ATOM 0 H ILE A 27 -27.916 5.687 -15.534 1.00 1.00 H new ATOM 0 HA ILE A 27 -28.418 7.995 -17.274 1.00 1.00 H new ATOM 0 HB ILE A 27 -26.715 8.623 -14.982 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -29.725 8.561 -14.622 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -28.611 7.427 -13.883 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -27.786 10.817 -15.275 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -27.105 10.194 -16.797 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -28.861 10.122 -16.511 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -29.164 9.260 -12.315 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -27.437 9.305 -12.740 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -28.568 10.456 -13.490 1.00 1.00 H new ATOM 427 N THR A 28 -26.197 7.572 -18.267 1.00 1.00 N ATOM 428 CA THR A 28 -24.954 7.220 -18.933 1.00 1.00 C ATOM 429 C THR A 28 -23.773 7.653 -18.062 1.00 1.00 C ATOM 430 O THR A 28 -23.189 8.710 -18.343 1.00 1.00 O ATOM 431 CB THR A 28 -24.948 7.857 -20.324 1.00 1.00 C ATOM 432 OG1 THR A 28 -26.266 7.630 -20.816 1.00 1.00 O ATOM 433 CG2 THR A 28 -24.049 7.106 -21.308 1.00 1.00 C ATOM 0 H THR A 28 -26.803 8.187 -18.809 1.00 1.00 H new ATOM 0 HA THR A 28 -24.863 6.142 -19.068 1.00 1.00 H new ATOM 0 HB THR A 28 -24.617 8.893 -20.247 1.00 1.00 H new ATOM 0 HG1 THR A 28 -26.350 8.013 -21.714 1.00 1.00 H new ATOM 0 HG21 THR A 28 -24.081 7.599 -22.279 1.00 1.00 H new ATOM 0 HG22 THR A 28 -23.025 7.104 -20.936 1.00 1.00 H new ATOM 0 HG23 THR A 28 -24.400 6.079 -21.411 1.00 1.00 H new ATOM 441 N ARG A 29 -23.451 6.842 -17.038 1.00 1.00 N ATOM 442 CA ARG A 29 -22.351 7.140 -16.137 1.00 1.00 C ATOM 443 C ARG A 29 -21.150 6.262 -16.497 1.00 1.00 C ATOM 444 O ARG A 29 -21.356 5.205 -17.111 1.00 1.00 O ATOM 445 CB ARG A 29 -22.735 6.891 -14.677 1.00 1.00 C ATOM 446 CG ARG A 29 -23.907 7.782 -14.260 1.00 1.00 C ATOM 447 CD ARG A 29 -23.642 9.244 -14.624 1.00 1.00 C ATOM 448 NE ARG A 29 -24.733 10.101 -14.109 1.00 1.00 N ATOM 449 CZ ARG A 29 -25.074 11.294 -14.641 1.00 1.00 C ATOM 450 NH1 ARG A 29 -24.394 11.750 -15.702 1.00 1.00 N ATOM 451 NH2 ARG A 29 -26.077 12.011 -14.116 1.00 1.00 N ATOM 0 H ARG A 29 -23.945 5.976 -16.823 1.00 1.00 H new ATOM 0 HA ARG A 29 -22.101 8.195 -16.248 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -23.003 5.843 -14.541 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -21.878 7.086 -14.033 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -24.819 7.441 -14.750 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -24.070 7.695 -13.186 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -22.688 9.564 -14.205 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -23.566 9.350 -15.706 1.00 1.00 H new ATOM 0 HE ARG A 29 -25.260 9.770 -13.301 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -23.632 11.198 -16.095 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -24.639 12.649 -16.116 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -26.589 11.656 -13.308 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -26.328 12.911 -14.524 1.00 1.00 H new ATOM 465 N TYR A 30 -19.941 6.709 -16.115 1.00 1.00 N ATOM 466 CA TYR A 30 -18.760 5.924 -16.431 1.00 1.00 C ATOM 467 C TYR A 30 -18.115 5.436 -15.132 1.00 1.00 C ATOM 468 O TYR A 30 -18.427 6.006 -14.077 1.00 1.00 O ATOM 469 CB TYR A 30 -17.784 6.765 -17.274 1.00 1.00 C ATOM 470 CG TYR A 30 -18.345 7.232 -18.611 1.00 1.00 C ATOM 471 CD1 TYR A 30 -19.311 8.263 -18.661 1.00 1.00 C ATOM 472 CD2 TYR A 30 -17.904 6.629 -19.811 1.00 1.00 C ATOM 473 CE1 TYR A 30 -19.830 8.689 -19.901 1.00 1.00 C ATOM 474 CE2 TYR A 30 -18.423 7.056 -21.052 1.00 1.00 C ATOM 475 CZ TYR A 30 -19.386 8.087 -21.099 1.00 1.00 C ATOM 476 OH TYR A 30 -19.885 8.498 -22.302 1.00 1.00 O ATOM 0 H TYR A 30 -19.769 7.577 -15.607 1.00 1.00 H new ATOM 0 HA TYR A 30 -19.036 5.050 -17.022 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -17.484 7.638 -16.695 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -16.884 6.179 -17.457 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -19.652 8.726 -17.747 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -17.168 5.839 -19.778 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -20.568 9.477 -19.935 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -18.083 6.593 -21.967 1.00 1.00 H new ATOM 0 HH TYR A 30 -19.205 8.375 -22.997 1.00 1.00 H new ATOM 486 N PHE A 31 -17.256 4.405 -15.228 1.00 1.00 N ATOM 487 CA PHE A 31 -16.590 3.847 -14.063 1.00 1.00 C ATOM 488 C PHE A 31 -15.308 3.139 -14.504 1.00 1.00 C ATOM 489 O PHE A 31 -15.329 2.481 -15.555 1.00 1.00 O ATOM 490 CB PHE A 31 -17.543 2.863 -13.357 1.00 1.00 C ATOM 491 CG PHE A 31 -17.656 1.499 -14.025 1.00 1.00 C ATOM 492 CD1 PHE A 31 -18.330 1.369 -15.261 1.00 1.00 C ATOM 493 CD2 PHE A 31 -17.084 0.357 -13.418 1.00 1.00 C ATOM 494 CE1 PHE A 31 -18.432 0.107 -15.884 1.00 1.00 C ATOM 495 CE2 PHE A 31 -17.187 -0.905 -14.042 1.00 1.00 C ATOM 496 CZ PHE A 31 -17.861 -1.030 -15.275 1.00 1.00 C ATOM 0 H PHE A 31 -17.014 3.949 -16.108 1.00 1.00 H new ATOM 0 HA PHE A 31 -16.326 4.641 -13.364 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -17.204 2.723 -12.330 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -18.535 3.312 -13.307 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -18.768 2.238 -15.730 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -16.567 0.451 -12.474 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -18.948 0.012 -16.828 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -16.750 -1.775 -13.575 1.00 1.00 H new ATOM 0 HZ PHE A 31 -17.940 -1.996 -15.752 1.00 1.00 H new ATOM 506 N TYR A 32 -14.234 3.285 -13.707 1.00 1.00 N ATOM 507 CA TYR A 32 -12.984 2.641 -14.073 1.00 1.00 C ATOM 508 C TYR A 32 -13.088 1.141 -13.793 1.00 1.00 C ATOM 509 O TYR A 32 -12.952 0.755 -12.623 1.00 1.00 O ATOM 510 CB TYR A 32 -11.819 3.289 -13.302 1.00 1.00 C ATOM 511 CG TYR A 32 -10.436 2.909 -13.813 1.00 1.00 C ATOM 512 CD1 TYR A 32 -9.801 1.741 -13.333 1.00 1.00 C ATOM 513 CD2 TYR A 32 -9.781 3.717 -14.771 1.00 1.00 C ATOM 514 CE1 TYR A 32 -8.521 1.383 -13.806 1.00 1.00 C ATOM 515 CE2 TYR A 32 -8.500 3.359 -15.244 1.00 1.00 C ATOM 516 CZ TYR A 32 -7.869 2.192 -14.761 1.00 1.00 C ATOM 517 OH TYR A 32 -6.628 1.842 -15.215 1.00 1.00 O ATOM 0 H TYR A 32 -14.214 3.823 -12.841 1.00 1.00 H new ATOM 0 HA TYR A 32 -12.789 2.774 -15.137 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -11.926 4.373 -13.351 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -11.894 3.008 -12.251 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -10.297 1.120 -12.602 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -10.262 4.610 -15.142 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -8.040 0.489 -13.437 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -8.002 3.978 -15.976 1.00 1.00 H new ATOM 0 HH TYR A 32 -6.702 1.479 -16.122 1.00 1.00 H new ATOM 527 N ASN A 33 -13.330 0.340 -14.846 1.00 1.00 N ATOM 528 CA ASN A 33 -13.461 -1.101 -14.704 1.00 1.00 C ATOM 529 C ASN A 33 -12.081 -1.749 -14.837 1.00 1.00 C ATOM 530 O ASN A 33 -11.404 -1.493 -15.844 1.00 1.00 O ATOM 531 CB ASN A 33 -14.363 -1.682 -15.794 1.00 1.00 C ATOM 532 CG ASN A 33 -14.828 -3.093 -15.427 1.00 1.00 C ATOM 533 OD1 ASN A 33 -14.276 -3.750 -14.559 1.00 1.00 O ATOM 534 ND2 ASN A 33 -15.871 -3.520 -16.132 1.00 1.00 N ATOM 0 H ASN A 33 -13.437 0.678 -15.802 1.00 1.00 H new ATOM 0 HA ASN A 33 -13.899 -1.306 -13.727 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -15.229 -1.036 -15.937 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -13.824 -1.708 -16.741 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -16.257 -4.449 -15.961 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -16.286 -2.919 -16.844 1.00 1.00 H new ATOM 541 N ASN A 34 -11.699 -2.562 -13.836 1.00 1.00 N ATOM 542 CA ASN A 34 -10.413 -3.238 -13.842 1.00 1.00 C ATOM 543 C ASN A 34 -10.393 -4.278 -14.964 1.00 1.00 C ATOM 544 O ASN A 34 -9.296 -4.644 -15.410 1.00 1.00 O ATOM 545 CB ASN A 34 -10.167 -3.966 -12.519 1.00 1.00 C ATOM 546 CG ASN A 34 -9.046 -4.997 -12.660 1.00 1.00 C ATOM 547 OD1 ASN A 34 -9.241 -6.190 -12.500 1.00 1.00 O ATOM 548 ND2 ASN A 34 -7.863 -4.471 -12.966 1.00 1.00 N ATOM 0 H ASN A 34 -12.272 -2.760 -13.016 1.00 1.00 H new ATOM 0 HA ASN A 34 -9.638 -2.486 -13.990 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -9.906 -3.244 -11.746 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -11.083 -4.461 -12.197 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -7.050 -5.076 -13.081 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -7.769 -3.462 -13.086 1.00 1.00 H new ATOM 555 N GLN A 35 -11.588 -4.726 -15.391 1.00 1.00 N ATOM 556 CA GLN A 35 -11.706 -5.713 -16.450 1.00 1.00 C ATOM 557 C GLN A 35 -10.868 -5.270 -17.651 1.00 1.00 C ATOM 558 O GLN A 35 -10.154 -6.112 -18.215 1.00 1.00 O ATOM 559 CB GLN A 35 -13.166 -5.934 -16.852 1.00 1.00 C ATOM 560 CG GLN A 35 -13.389 -7.366 -17.343 1.00 1.00 C ATOM 561 CD GLN A 35 -12.950 -8.383 -16.287 1.00 1.00 C ATOM 562 OE1 GLN A 35 -12.845 -8.086 -15.108 1.00 1.00 O ATOM 563 NE2 GLN A 35 -12.702 -9.595 -16.774 1.00 1.00 N ATOM 0 H GLN A 35 -12.480 -4.412 -15.010 1.00 1.00 H new ATOM 0 HA GLN A 35 -11.330 -6.667 -16.081 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -13.816 -5.732 -16.000 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -13.441 -5.230 -17.637 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -14.443 -7.513 -17.579 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.830 -7.529 -18.265 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.810 -9.775 -17.772 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.404 -10.344 -16.150 1.00 1.00 H new ATOM 572 N THR A 36 -10.969 -3.978 -18.012 1.00 1.00 N ATOM 573 CA THR A 36 -10.226 -3.432 -19.134 1.00 1.00 C ATOM 574 C THR A 36 -9.301 -2.320 -18.635 1.00 1.00 C ATOM 575 O THR A 36 -8.893 -1.481 -19.452 1.00 1.00 O ATOM 576 CB THR A 36 -11.220 -2.964 -20.198 1.00 1.00 C ATOM 577 OG1 THR A 36 -11.885 -1.860 -19.589 1.00 1.00 O ATOM 578 CG2 THR A 36 -12.337 -3.981 -20.444 1.00 1.00 C ATOM 0 H THR A 36 -11.563 -3.301 -17.534 1.00 1.00 H new ATOM 0 HA THR A 36 -9.587 -4.185 -19.596 1.00 1.00 H new ATOM 0 HB THR A 36 -10.690 -2.774 -21.131 1.00 1.00 H new ATOM 0 HG1 THR A 36 -12.854 -2.003 -19.623 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.015 -3.600 -21.208 1.00 1.00 H new ATOM 0 HG22 THR A 36 -11.904 -4.923 -20.781 1.00 1.00 H new ATOM 0 HG23 THR A 36 -12.889 -4.146 -19.519 1.00 1.00 H new ATOM 586 N LYS A 37 -8.994 -2.334 -17.326 1.00 1.00 N ATOM 587 CA LYS A 37 -8.127 -1.334 -16.727 1.00 1.00 C ATOM 588 C LYS A 37 -8.370 0.017 -17.404 1.00 1.00 C ATOM 589 O LYS A 37 -7.391 0.657 -17.812 1.00 1.00 O ATOM 590 CB LYS A 37 -6.668 -1.791 -16.777 1.00 1.00 C ATOM 591 CG LYS A 37 -6.451 -3.026 -15.899 1.00 1.00 C ATOM 592 CD LYS A 37 -6.039 -4.234 -16.743 1.00 1.00 C ATOM 593 CE LYS A 37 -4.694 -3.990 -17.430 1.00 1.00 C ATOM 594 NZ LYS A 37 -4.681 -4.598 -18.771 1.00 1.00 N ATOM 0 H LYS A 37 -9.341 -3.034 -16.670 1.00 1.00 H new ATOM 0 HA LYS A 37 -8.363 -1.210 -15.670 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -6.389 -2.018 -17.806 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -6.018 -0.983 -16.442 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -5.681 -2.818 -15.156 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -7.367 -3.254 -15.354 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -5.973 -5.119 -16.110 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -6.803 -4.436 -17.493 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -4.508 -2.919 -17.508 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -3.889 -4.410 -16.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -3.761 -4.423 -19.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.837 -5.623 -18.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -5.436 -4.178 -19.350 1.00 1.00 H new ATOM 608 N GLN A 38 -9.651 0.416 -17.507 1.00 1.00 N ATOM 609 CA GLN A 38 -10.016 1.678 -18.128 1.00 1.00 C ATOM 610 C GLN A 38 -11.393 2.111 -17.622 1.00 1.00 C ATOM 611 O GLN A 38 -11.878 1.515 -16.649 1.00 1.00 O ATOM 612 CB GLN A 38 -10.000 1.578 -19.655 1.00 1.00 C ATOM 613 CG GLN A 38 -9.214 2.737 -20.272 1.00 1.00 C ATOM 614 CD GLN A 38 -8.478 2.289 -21.537 1.00 1.00 C ATOM 615 OE1 GLN A 38 -9.048 2.171 -22.609 1.00 1.00 O ATOM 616 NE2 GLN A 38 -7.184 2.046 -21.352 1.00 1.00 N ATOM 0 H GLN A 38 -10.443 -0.127 -17.164 1.00 1.00 H new ATOM 0 HA GLN A 38 -9.278 2.430 -17.851 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.554 0.630 -19.956 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -11.022 1.584 -20.034 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -9.894 3.555 -20.513 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.497 3.122 -19.547 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -6.770 2.165 -20.427 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -6.605 1.741 -22.135 1.00 1.00 H new ATOM 625 N CYS A 39 -11.986 3.124 -18.280 1.00 1.00 N ATOM 626 CA CYS A 39 -13.293 3.629 -17.898 1.00 1.00 C ATOM 627 C CYS A 39 -14.352 3.057 -18.844 1.00 1.00 C ATOM 628 O CYS A 39 -14.283 3.344 -20.048 1.00 1.00 O ATOM 629 CB CYS A 39 -13.310 5.159 -17.881 1.00 1.00 C ATOM 630 SG CYS A 39 -12.389 5.916 -16.509 1.00 1.00 S ATOM 0 H CYS A 39 -11.570 3.602 -19.079 1.00 1.00 H new ATOM 0 HA CYS A 39 -13.523 3.304 -16.883 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -12.898 5.523 -18.822 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -14.345 5.496 -17.835 1.00 1.00 H new ATOM 0 HG CYS A 39 -13.127 5.917 -15.439 1.00 1.00 H new ATOM 636 N GLU A 40 -15.294 2.274 -18.290 1.00 1.00 N ATOM 637 CA GLU A 40 -16.354 1.670 -19.079 1.00 1.00 C ATOM 638 C GLU A 40 -17.682 2.358 -18.753 1.00 1.00 C ATOM 639 O GLU A 40 -17.846 2.810 -17.610 1.00 1.00 O ATOM 640 CB GLU A 40 -16.445 0.162 -18.838 1.00 1.00 C ATOM 641 CG GLU A 40 -15.052 -0.454 -18.689 1.00 1.00 C ATOM 642 CD GLU A 40 -15.122 -1.982 -18.722 1.00 1.00 C ATOM 643 OE1 GLU A 40 -16.223 -2.552 -18.742 1.00 1.00 O ATOM 644 OE2 GLU A 40 -13.979 -2.581 -18.726 1.00 1.00 O ATOM 0 H GLU A 40 -15.333 2.051 -17.295 1.00 1.00 H new ATOM 0 HA GLU A 40 -16.126 1.809 -20.136 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -17.030 -0.032 -17.939 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -16.969 -0.312 -19.668 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -14.406 -0.099 -19.491 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -14.604 -0.127 -17.751 1.00 1.00 H new ATOM 651 N ARG A 41 -18.587 2.422 -19.746 1.00 1.00 N ATOM 652 CA ARG A 41 -19.885 3.049 -19.565 1.00 1.00 C ATOM 653 C ARG A 41 -20.813 2.084 -18.823 1.00 1.00 C ATOM 654 O ARG A 41 -20.723 0.873 -19.070 1.00 1.00 O ATOM 655 CB ARG A 41 -20.519 3.428 -20.904 1.00 1.00 C ATOM 656 CG ARG A 41 -20.605 4.948 -21.060 1.00 1.00 C ATOM 657 CD ARG A 41 -20.546 5.352 -22.534 1.00 1.00 C ATOM 658 NE ARG A 41 -21.916 5.559 -23.057 1.00 1.00 N ATOM 659 CZ ARG A 41 -22.716 4.565 -23.497 1.00 1.00 C ATOM 660 NH1 ARG A 41 -22.263 3.305 -23.468 1.00 1.00 N ATOM 661 NH2 ARG A 41 -23.946 4.835 -23.956 1.00 1.00 N ATOM 0 H ARG A 41 -18.432 2.043 -20.680 1.00 1.00 H new ATOM 0 HA ARG A 41 -19.742 3.962 -18.987 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -19.932 3.008 -21.720 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -21.517 2.995 -20.973 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -21.532 5.311 -20.617 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -19.786 5.420 -20.517 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -19.963 6.266 -22.646 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -20.040 4.578 -23.112 1.00 1.00 H new ATOM 0 HE ARG A 41 -22.278 6.512 -23.087 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -21.326 3.108 -23.117 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -22.855 2.542 -23.797 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -24.284 5.797 -23.975 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -24.544 4.078 -24.287 1.00 1.00 H new ATOM 675 N PHE A 42 -21.673 2.631 -17.945 1.00 1.00 N ATOM 676 CA PHE A 42 -22.607 1.825 -17.178 1.00 1.00 C ATOM 677 C PHE A 42 -23.717 2.722 -16.628 1.00 1.00 C ATOM 678 O PHE A 42 -23.509 3.943 -16.559 1.00 1.00 O ATOM 679 CB PHE A 42 -21.851 1.126 -16.031 1.00 1.00 C ATOM 680 CG PHE A 42 -21.756 1.937 -14.746 1.00 1.00 C ATOM 681 CD1 PHE A 42 -20.936 3.088 -14.694 1.00 1.00 C ATOM 682 CD2 PHE A 42 -22.489 1.549 -13.600 1.00 1.00 C ATOM 683 CE1 PHE A 42 -20.850 3.845 -13.505 1.00 1.00 C ATOM 684 CE2 PHE A 42 -22.402 2.306 -12.412 1.00 1.00 C ATOM 685 CZ PHE A 42 -21.582 3.454 -12.365 1.00 1.00 C ATOM 0 H PHE A 42 -21.731 3.632 -17.757 1.00 1.00 H new ATOM 0 HA PHE A 42 -23.058 1.064 -17.815 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -22.345 0.180 -15.812 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -20.843 0.888 -16.370 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -20.374 3.389 -15.566 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -23.117 0.671 -13.634 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -20.223 4.724 -13.469 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -22.963 2.007 -11.539 1.00 1.00 H new ATOM 0 HZ PHE A 42 -21.515 4.033 -11.456 1.00 1.00 H new ATOM 695 N LYS A 43 -24.856 2.112 -16.255 1.00 1.00 N ATOM 696 CA LYS A 43 -25.985 2.851 -15.718 1.00 1.00 C ATOM 697 C LYS A 43 -25.685 3.253 -14.273 1.00 1.00 C ATOM 698 O LYS A 43 -24.520 3.153 -13.862 1.00 1.00 O ATOM 699 CB LYS A 43 -27.276 2.044 -15.876 1.00 1.00 C ATOM 700 CG LYS A 43 -28.179 2.659 -16.947 1.00 1.00 C ATOM 701 CD LYS A 43 -27.823 2.125 -18.336 1.00 1.00 C ATOM 702 CE LYS A 43 -28.425 0.737 -18.561 1.00 1.00 C ATOM 703 NZ LYS A 43 -28.087 0.240 -19.904 1.00 1.00 N ATOM 0 H LYS A 43 -25.008 1.105 -16.321 1.00 1.00 H new ATOM 0 HA LYS A 43 -26.140 3.772 -16.280 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -27.036 1.015 -16.145 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -27.806 2.009 -14.924 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -29.221 2.433 -16.723 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -28.078 3.744 -16.934 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -28.190 2.812 -19.099 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -26.739 2.077 -18.444 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -28.051 0.045 -17.806 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -29.508 0.781 -18.445 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -28.503 -0.703 -20.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -28.465 0.892 -20.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -27.053 0.179 -20.002 1.00 1.00 H new ATOM 717 N TYR A 44 -26.725 3.694 -13.542 1.00 1.00 N ATOM 718 CA TYR A 44 -26.505 4.097 -12.163 1.00 1.00 C ATOM 719 C TYR A 44 -27.804 3.927 -11.373 1.00 1.00 C ATOM 720 O TYR A 44 -28.089 2.794 -10.957 1.00 1.00 O ATOM 721 CB TYR A 44 -25.993 5.548 -12.119 1.00 1.00 C ATOM 722 CG TYR A 44 -25.836 6.120 -10.717 1.00 1.00 C ATOM 723 CD1 TYR A 44 -26.009 5.284 -9.589 1.00 1.00 C ATOM 724 CD2 TYR A 44 -25.511 7.483 -10.532 1.00 1.00 C ATOM 725 CE1 TYR A 44 -25.861 5.809 -8.288 1.00 1.00 C ATOM 726 CE2 TYR A 44 -25.363 8.008 -9.230 1.00 1.00 C ATOM 727 CZ TYR A 44 -25.539 7.171 -8.106 1.00 1.00 C ATOM 728 OH TYR A 44 -25.398 7.675 -6.845 1.00 1.00 O ATOM 0 H TYR A 44 -27.685 3.775 -13.876 1.00 1.00 H new ATOM 0 HA TYR A 44 -25.744 3.466 -11.703 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -25.030 5.596 -12.627 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -26.681 6.180 -12.681 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -26.255 4.241 -9.724 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -25.375 8.125 -11.390 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -25.994 5.167 -7.430 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -25.115 9.050 -9.093 1.00 1.00 H new ATOM 0 HH TYR A 44 -25.175 8.628 -6.897 1.00 1.00 H new ATOM 789 N ASN A 50 -22.819 3.020 -5.045 1.00 1.00 N ATOM 790 CA ASN A 50 -21.440 2.966 -4.592 1.00 1.00 C ATOM 791 C ASN A 50 -20.656 4.120 -5.220 1.00 1.00 C ATOM 792 O ASN A 50 -21.276 5.137 -5.562 1.00 1.00 O ATOM 793 CB ASN A 50 -20.772 1.656 -5.014 1.00 1.00 C ATOM 794 CG ASN A 50 -20.331 1.712 -6.477 1.00 1.00 C ATOM 795 OD1 ASN A 50 -20.822 2.497 -7.271 1.00 1.00 O ATOM 796 ND2 ASN A 50 -19.379 0.837 -6.789 1.00 1.00 N ATOM 0 HA ASN A 50 -21.440 3.037 -3.504 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.909 1.462 -4.377 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.466 0.827 -4.871 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -19.017 0.796 -7.742 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -19.011 0.208 -6.076 1.00 1.00 H new ATOM 803 N MET A 51 -19.330 3.942 -5.357 1.00 1.00 N ATOM 804 CA MET A 51 -18.472 4.961 -5.938 1.00 1.00 C ATOM 805 C MET A 51 -18.287 4.676 -7.430 1.00 1.00 C ATOM 806 O MET A 51 -19.268 4.291 -8.083 1.00 1.00 O ATOM 807 CB MET A 51 -17.108 4.966 -5.246 1.00 1.00 C ATOM 808 CG MET A 51 -17.261 4.815 -3.732 1.00 1.00 C ATOM 809 SD MET A 51 -16.419 6.184 -2.883 1.00 1.00 S ATOM 810 CE MET A 51 -17.404 6.262 -1.358 1.00 1.00 C ATOM 0 H MET A 51 -18.839 3.096 -5.069 1.00 1.00 H new ATOM 0 HA MET A 51 -18.938 5.937 -5.802 1.00 1.00 H new ATOM 0 HB2 MET A 51 -16.495 4.153 -5.636 1.00 1.00 H new ATOM 0 HB3 MET A 51 -16.585 5.896 -5.471 1.00 1.00 H new ATOM 0 HG2 MET A 51 -18.318 4.805 -3.464 1.00 1.00 H new ATOM 0 HG3 MET A 51 -16.841 3.862 -3.409 1.00 1.00 H new ATOM 0 HE1 MET A 51 -17.020 7.056 -0.717 1.00 1.00 H new ATOM 0 HE2 MET A 51 -18.445 6.469 -1.607 1.00 1.00 H new ATOM 0 HE3 MET A 51 -17.339 5.309 -0.834 1.00 1.00 H new ATOM 820 N ASN A 52 -17.054 4.866 -7.931 1.00 1.00 N ATOM 821 CA ASN A 52 -16.747 4.631 -9.332 1.00 1.00 C ATOM 822 C ASN A 52 -18.013 4.830 -10.168 1.00 1.00 C ATOM 823 O ASN A 52 -18.415 3.886 -10.863 1.00 1.00 O ATOM 824 CB ASN A 52 -16.253 3.200 -9.555 1.00 1.00 C ATOM 825 CG ASN A 52 -15.398 3.106 -10.819 1.00 1.00 C ATOM 826 OD1 ASN A 52 -14.918 4.094 -11.351 1.00 1.00 O ATOM 827 ND2 ASN A 52 -15.233 1.865 -11.270 1.00 1.00 N ATOM 0 H ASN A 52 -16.259 5.183 -7.376 1.00 1.00 H new ATOM 0 HA ASN A 52 -15.967 5.332 -9.628 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -15.671 2.874 -8.693 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -17.106 2.526 -9.637 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -14.677 1.697 -12.109 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -15.662 1.082 -10.777 1.00 1.00 H new ATOM 834 N ASN A 53 -18.605 6.035 -10.085 1.00 1.00 N ATOM 835 CA ASN A 53 -19.813 6.352 -10.828 1.00 1.00 C ATOM 836 C ASN A 53 -19.681 7.750 -11.434 1.00 1.00 C ATOM 837 O ASN A 53 -20.382 8.662 -10.972 1.00 1.00 O ATOM 838 CB ASN A 53 -21.040 6.347 -9.914 1.00 1.00 C ATOM 839 CG ASN A 53 -22.244 6.986 -10.609 1.00 1.00 C ATOM 840 OD1 ASN A 53 -22.789 6.464 -11.567 1.00 1.00 O ATOM 841 ND2 ASN A 53 -22.626 8.142 -10.074 1.00 1.00 N ATOM 0 H ASN A 53 -18.257 6.799 -9.506 1.00 1.00 H new ATOM 0 HA ASN A 53 -19.939 5.597 -11.604 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -21.281 5.323 -9.629 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -20.816 6.889 -8.995 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -23.420 8.648 -10.466 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -22.125 8.523 -9.271 1.00 1.00 H new ATOM 848 N PHE A 54 -18.801 7.889 -12.442 1.00 1.00 N ATOM 849 CA PHE A 54 -18.582 9.165 -13.103 1.00 1.00 C ATOM 850 C PHE A 54 -19.715 9.419 -14.098 1.00 1.00 C ATOM 851 O PHE A 54 -20.542 8.516 -14.294 1.00 1.00 O ATOM 852 CB PHE A 54 -17.219 9.137 -13.821 1.00 1.00 C ATOM 853 CG PHE A 54 -16.030 8.842 -12.916 1.00 1.00 C ATOM 854 CD1 PHE A 54 -15.352 9.902 -12.270 1.00 1.00 C ATOM 855 CD2 PHE A 54 -15.601 7.510 -12.711 1.00 1.00 C ATOM 856 CE1 PHE A 54 -14.253 9.631 -11.427 1.00 1.00 C ATOM 857 CE2 PHE A 54 -14.501 7.241 -11.868 1.00 1.00 C ATOM 858 CZ PHE A 54 -13.827 8.301 -11.226 1.00 1.00 C ATOM 0 H PHE A 54 -18.234 7.125 -12.809 1.00 1.00 H new ATOM 0 HA PHE A 54 -18.574 9.972 -12.371 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -17.254 8.385 -14.609 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -17.059 10.100 -14.306 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -15.676 10.921 -12.422 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -16.116 6.697 -13.201 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -13.737 10.443 -10.935 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -14.175 6.223 -11.714 1.00 1.00 H new ATOM 0 HZ PHE A 54 -12.986 8.095 -10.581 1.00 1.00 H new ATOM 868 N GLU A 55 -19.732 10.623 -14.698 1.00 1.00 N ATOM 869 CA GLU A 55 -20.754 10.989 -15.663 1.00 1.00 C ATOM 870 C GLU A 55 -20.151 10.976 -17.069 1.00 1.00 C ATOM 871 O GLU A 55 -20.849 10.564 -18.006 1.00 1.00 O ATOM 872 CB GLU A 55 -21.367 12.354 -15.342 1.00 1.00 C ATOM 873 CG GLU A 55 -21.860 12.407 -13.894 1.00 1.00 C ATOM 874 CD GLU A 55 -22.809 13.589 -13.681 1.00 1.00 C ATOM 875 OE1 GLU A 55 -22.254 14.751 -13.744 1.00 1.00 O ATOM 876 OE2 GLU A 55 -24.013 13.386 -13.467 1.00 1.00 O ATOM 0 H GLU A 55 -19.042 11.353 -14.523 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.561 10.258 -15.611 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -20.627 13.137 -15.507 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -22.197 12.552 -16.020 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -22.371 11.477 -13.646 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.009 12.493 -13.219 1.00 1.00 H new ATOM 883 N THR A 56 -18.886 11.420 -17.185 1.00 1.00 N ATOM 884 CA THR A 56 -18.199 11.458 -18.465 1.00 1.00 C ATOM 885 C THR A 56 -16.942 10.589 -18.390 1.00 1.00 C ATOM 886 O THR A 56 -16.451 10.357 -17.276 1.00 1.00 O ATOM 887 CB THR A 56 -17.908 12.918 -18.820 1.00 1.00 C ATOM 888 OG1 THR A 56 -17.907 13.587 -17.562 1.00 1.00 O ATOM 889 CG2 THR A 56 -19.056 13.574 -19.590 1.00 1.00 C ATOM 0 H THR A 56 -18.328 11.755 -16.400 1.00 1.00 H new ATOM 0 HA THR A 56 -18.816 11.046 -19.264 1.00 1.00 H new ATOM 0 HB THR A 56 -16.996 12.972 -19.414 1.00 1.00 H new ATOM 0 HG1 THR A 56 -17.724 14.540 -17.698 1.00 1.00 H new ATOM 0 HG21 THR A 56 -18.798 14.608 -19.817 1.00 1.00 H new ATOM 0 HG22 THR A 56 -19.228 13.031 -20.519 1.00 1.00 H new ATOM 0 HG23 THR A 56 -19.961 13.551 -18.983 1.00 1.00 H new ATOM 897 N LEU A 57 -16.455 10.133 -19.558 1.00 1.00 N ATOM 898 CA LEU A 57 -15.268 9.299 -19.624 1.00 1.00 C ATOM 899 C LEU A 57 -14.057 10.103 -19.148 1.00 1.00 C ATOM 900 O LEU A 57 -13.345 9.625 -18.252 1.00 1.00 O ATOM 901 CB LEU A 57 -15.102 8.711 -21.027 1.00 1.00 C ATOM 902 CG LEU A 57 -14.167 7.506 -21.144 1.00 1.00 C ATOM 903 CD1 LEU A 57 -14.833 6.240 -20.603 1.00 1.00 C ATOM 904 CD2 LEU A 57 -13.680 7.328 -22.583 1.00 1.00 C ATOM 0 H LEU A 57 -16.875 10.336 -20.465 1.00 1.00 H new ATOM 0 HA LEU A 57 -15.367 8.444 -18.955 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -16.085 8.420 -21.396 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -14.734 9.496 -21.687 1.00 1.00 H new ATOM 0 HG LEU A 57 -13.288 7.695 -20.528 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -14.147 5.399 -20.698 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -15.088 6.383 -19.553 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -15.740 6.035 -21.172 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -13.017 6.465 -22.639 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -14.536 7.171 -23.240 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -13.140 8.221 -22.897 1.00 1.00 H new ATOM 916 N GLU A 58 -13.849 11.290 -19.746 1.00 1.00 N ATOM 917 CA GLU A 58 -12.735 12.150 -19.385 1.00 1.00 C ATOM 918 C GLU A 58 -12.757 12.399 -17.875 1.00 1.00 C ATOM 919 O GLU A 58 -11.680 12.600 -17.295 1.00 1.00 O ATOM 920 CB GLU A 58 -12.770 13.469 -20.159 1.00 1.00 C ATOM 921 CG GLU A 58 -11.370 13.864 -20.634 1.00 1.00 C ATOM 922 CD GLU A 58 -11.399 15.203 -21.373 1.00 1.00 C ATOM 923 OE1 GLU A 58 -11.374 16.245 -20.614 1.00 1.00 O ATOM 924 OE2 GLU A 58 -11.443 15.226 -22.612 1.00 1.00 O ATOM 0 H GLU A 58 -14.446 11.666 -20.482 1.00 1.00 H new ATOM 0 HA GLU A 58 -11.805 11.649 -19.654 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -13.435 13.374 -21.017 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -13.178 14.256 -19.525 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -10.697 13.931 -19.779 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -10.973 13.090 -21.291 1.00 1.00 H new ATOM 931 N GLU A 59 -13.963 12.382 -17.279 1.00 1.00 N ATOM 932 CA GLU A 59 -14.119 12.604 -15.852 1.00 1.00 C ATOM 933 C GLU A 59 -13.601 11.383 -15.090 1.00 1.00 C ATOM 934 O GLU A 59 -12.840 11.567 -14.129 1.00 1.00 O ATOM 935 CB GLU A 59 -15.575 12.902 -15.486 1.00 1.00 C ATOM 936 CG GLU A 59 -15.682 14.187 -14.663 1.00 1.00 C ATOM 937 CD GLU A 59 -16.485 15.252 -15.411 1.00 1.00 C ATOM 938 OE1 GLU A 59 -17.725 15.215 -15.401 1.00 1.00 O ATOM 939 OE2 GLU A 59 -15.777 16.143 -16.019 1.00 1.00 O ATOM 0 H GLU A 59 -14.838 12.215 -17.775 1.00 1.00 H new ATOM 0 HA GLU A 59 -13.534 13.479 -15.568 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -16.170 12.997 -16.394 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -15.989 12.068 -14.920 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -16.159 13.972 -13.707 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -14.684 14.566 -14.443 1.00 1.00 H new ATOM 946 N CYS A 60 -14.016 10.180 -15.526 1.00 1.00 N ATOM 947 CA CYS A 60 -13.596 8.943 -14.889 1.00 1.00 C ATOM 948 C CYS A 60 -12.106 8.720 -15.153 1.00 1.00 C ATOM 949 O CYS A 60 -11.452 8.066 -14.327 1.00 1.00 O ATOM 950 CB CYS A 60 -14.443 7.762 -15.366 1.00 1.00 C ATOM 951 SG CYS A 60 -13.915 6.142 -14.736 1.00 1.00 S ATOM 0 H CYS A 60 -14.643 10.050 -16.320 1.00 1.00 H new ATOM 0 HA CYS A 60 -13.749 9.021 -13.813 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -15.478 7.932 -15.069 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -14.424 7.736 -16.456 1.00 1.00 H new ATOM 0 HG CYS A 60 -12.860 5.747 -15.385 1.00 1.00 H new ATOM 957 N LYS A 61 -11.606 9.257 -16.280 1.00 1.00 N ATOM 958 CA LYS A 61 -10.207 9.117 -16.646 1.00 1.00 C ATOM 959 C LYS A 61 -9.371 10.116 -15.842 1.00 1.00 C ATOM 960 O LYS A 61 -8.395 9.691 -15.206 1.00 1.00 O ATOM 961 CB LYS A 61 -10.034 9.248 -18.160 1.00 1.00 C ATOM 962 CG LYS A 61 -10.943 8.268 -18.903 1.00 1.00 C ATOM 963 CD LYS A 61 -10.152 7.458 -19.933 1.00 1.00 C ATOM 964 CE LYS A 61 -10.474 5.967 -19.823 1.00 1.00 C ATOM 965 NZ LYS A 61 -11.402 5.560 -20.890 1.00 1.00 N ATOM 0 H LYS A 61 -12.162 9.792 -16.948 1.00 1.00 H new ATOM 0 HA LYS A 61 -9.845 8.121 -16.392 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -10.264 10.268 -18.469 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -8.994 9.060 -18.428 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -11.416 7.593 -18.190 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -11.743 8.815 -19.402 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -10.387 7.811 -20.937 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -9.084 7.615 -19.782 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -9.555 5.385 -19.890 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -10.915 5.755 -18.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -12.112 4.906 -20.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -11.879 6.400 -21.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -10.872 5.085 -21.648 1.00 1.00 H new ATOM 979 N ASN A 62 -9.763 11.401 -15.886 1.00 1.00 N ATOM 980 CA ASN A 62 -9.055 12.447 -15.168 1.00 1.00 C ATOM 981 C ASN A 62 -8.927 12.052 -13.695 1.00 1.00 C ATOM 982 O ASN A 62 -7.850 12.266 -13.119 1.00 1.00 O ATOM 983 CB ASN A 62 -9.815 13.774 -15.236 1.00 1.00 C ATOM 984 CG ASN A 62 -8.879 14.956 -14.973 1.00 1.00 C ATOM 985 OD1 ASN A 62 -8.518 15.087 -13.700 1.00 1.00 O flip ATOM 986 ND2 ASN A 62 -8.510 15.699 -15.868 1.00 1.00 N flip ATOM 0 H ASN A 62 -10.570 11.730 -16.416 1.00 1.00 H new ATOM 0 HA ASN A 62 -8.075 12.568 -15.629 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.277 13.883 -16.217 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -10.621 13.774 -14.502 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -8.826 15.541 -16.825 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -7.886 16.478 -15.659 1.00 1.00 H new ATOM 993 N ILE A 63 -10.008 11.491 -13.126 1.00 1.00 N ATOM 994 CA ILE A 63 -10.016 11.071 -11.735 1.00 1.00 C ATOM 995 C ILE A 63 -9.255 9.750 -11.602 1.00 1.00 C ATOM 996 O ILE A 63 -8.335 9.681 -10.774 1.00 1.00 O ATOM 997 CB ILE A 63 -11.448 11.011 -11.201 1.00 1.00 C ATOM 998 CG1 ILE A 63 -12.097 12.397 -11.215 1.00 1.00 C ATOM 999 CG2 ILE A 63 -11.489 10.373 -9.811 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -11.037 13.499 -11.154 1.00 1.00 C ATOM 0 H ILE A 63 -10.885 11.322 -13.619 1.00 1.00 H new ATOM 0 HA ILE A 63 -9.499 11.802 -11.114 1.00 1.00 H new ATOM 0 HB ILE A 63 -12.033 10.374 -11.865 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -12.696 12.513 -12.118 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -12.776 12.493 -10.368 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -12.519 10.343 -9.455 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -11.094 9.359 -9.864 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -10.884 10.962 -9.122 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -11.525 14.474 -11.165 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -10.456 13.395 -10.238 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -10.375 13.415 -12.015 1.00 1.00 H new ATOM 1012 N CYS A 64 -9.646 8.746 -12.406 1.00 1.00 N ATOM 1013 CA CYS A 64 -9.005 7.442 -12.378 1.00 1.00 C ATOM 1014 C CYS A 64 -7.725 7.490 -13.215 1.00 1.00 C ATOM 1015 O CYS A 64 -6.647 7.680 -12.634 1.00 1.00 O ATOM 1016 CB CYS A 64 -9.960 6.347 -12.856 1.00 1.00 C ATOM 1017 SG CYS A 64 -11.605 6.380 -12.086 1.00 1.00 S ATOM 0 H CYS A 64 -10.406 8.824 -13.081 1.00 1.00 H new ATOM 0 HA CYS A 64 -8.738 7.193 -11.351 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -10.078 6.434 -13.936 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -9.503 5.376 -12.662 1.00 1.00 H new ATOM 1023 N GLU A 65 -7.867 7.318 -14.542 1.00 1.00 N ATOM 1024 CA GLU A 65 -6.731 7.342 -15.447 1.00 1.00 C ATOM 1025 C GLU A 65 -5.708 8.365 -14.949 1.00 1.00 C ATOM 1026 O GLU A 65 -4.505 8.145 -15.156 1.00 1.00 O ATOM 1027 CB GLU A 65 -7.162 7.652 -16.882 1.00 1.00 C ATOM 1028 CG GLU A 65 -7.553 6.373 -17.626 1.00 1.00 C ATOM 1029 CD GLU A 65 -7.131 6.442 -19.095 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -6.838 7.533 -19.605 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -7.114 5.309 -19.711 1.00 1.00 O ATOM 0 H GLU A 65 -8.765 7.161 -15.001 1.00 1.00 H new ATOM 0 HA GLU A 65 -6.274 6.353 -15.459 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -8.005 8.343 -16.871 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -6.349 8.150 -17.410 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -7.083 5.513 -17.149 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -8.631 6.225 -17.560 1.00 1.00 H new ATOM 1038 N ASP A 66 -6.197 9.444 -14.313 1.00 1.00 N ATOM 1039 CA ASP A 66 -5.331 10.489 -13.792 1.00 1.00 C ATOM 1040 C ASP A 66 -4.313 10.884 -14.863 1.00 1.00 C ATOM 1041 O ASP A 66 -3.113 10.665 -14.646 1.00 1.00 O ATOM 1042 CB ASP A 66 -4.560 10.002 -12.563 1.00 1.00 C ATOM 1043 CG ASP A 66 -3.612 8.829 -12.818 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -4.171 7.667 -12.825 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -2.399 9.016 -13.001 1.00 1.00 O ATOM 0 H ASP A 66 -7.191 9.605 -14.153 1.00 1.00 H new ATOM 0 HA ASP A 66 -5.956 11.337 -13.514 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -3.983 10.835 -12.161 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -5.277 9.710 -11.795 1.00 1.00 H new