USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-13!) USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 38 SER OG : rot 62:sc= 0.24 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -138:sc= 0.804 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.7! K(o=-3.7!,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 53:sc= 1.1 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.9!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 82 THR OG1 : rot 101:sc= -4.64! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc=-0.00956 X(o=-0.0096,f=-0.18) USER MOD Single : A 92 ASN : amide:sc= -0.239! K(o=-0.24!,f=-1.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -4.129 -18.253 4.296 1.00 0.00 N ATOM 151 CA HIS A 14 -2.776 -18.063 3.801 1.00 0.00 C ATOM 152 C HIS A 14 -2.090 -16.950 4.597 1.00 0.00 C ATOM 153 O HIS A 14 -2.719 -15.952 4.945 1.00 0.00 O ATOM 154 CB HIS A 14 -2.781 -17.797 2.294 1.00 0.00 C ATOM 155 CG HIS A 14 -1.508 -18.206 1.594 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.437 -17.346 1.423 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.144 -19.392 1.026 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.522 -17.995 0.778 1.00 0.00 C ATOM 159 NE2 HIS A 14 0.081 -19.262 0.532 1.00 0.00 N ATOM 0 HA HIS A 14 -2.200 -18.976 3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.618 -18.330 1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.952 -16.734 2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.750 -20.285 0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.483 -17.592 0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.606 -19.990 0.048 1.00 0.00 H new ATOM 167 N PRO A 15 -0.775 -17.165 4.868 1.00 0.00 N ATOM 168 CA PRO A 15 0.004 -16.192 5.616 1.00 0.00 C ATOM 169 C PRO A 15 0.345 -14.979 4.748 1.00 0.00 C ATOM 170 O PRO A 15 0.745 -13.936 5.263 1.00 0.00 O ATOM 171 CB PRO A 15 1.234 -16.951 6.086 1.00 0.00 C ATOM 172 CG PRO A 15 1.328 -18.182 5.200 1.00 0.00 C ATOM 173 CD PRO A 15 0.003 -18.335 4.471 1.00 0.00 C ATOM 0 HA PRO A 15 -0.541 -15.779 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.130 -16.336 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.143 -17.231 7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.146 -18.077 4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.539 -19.068 5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.147 -18.367 3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.500 -19.260 4.754 1.00 0.00 H new ATOM 181 N SER A 16 0.174 -15.156 3.446 1.00 0.00 N ATOM 182 CA SER A 16 0.459 -14.089 2.502 1.00 0.00 C ATOM 183 C SER A 16 -0.804 -13.265 2.247 1.00 0.00 C ATOM 184 O SER A 16 -0.730 -12.052 2.054 1.00 0.00 O ATOM 185 CB SER A 16 1.003 -14.648 1.186 1.00 0.00 C ATOM 186 OG SER A 16 2.186 -15.418 1.381 1.00 0.00 O ATOM 0 H SER A 16 -0.158 -16.022 3.023 1.00 0.00 H new ATOM 0 HA SER A 16 1.224 -13.445 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.241 -15.268 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.214 -13.826 0.503 1.00 0.00 H new ATOM 0 HG SER A 16 2.501 -15.758 0.518 1.00 0.00 H new ATOM 192 N ILE A 17 -1.935 -13.955 2.256 1.00 0.00 N ATOM 193 CA ILE A 17 -3.212 -13.302 2.028 1.00 0.00 C ATOM 194 C ILE A 17 -3.521 -12.371 3.202 1.00 0.00 C ATOM 195 O ILE A 17 -3.758 -11.179 3.008 1.00 0.00 O ATOM 196 CB ILE A 17 -4.305 -14.340 1.763 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.166 -14.938 0.362 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.695 -13.745 1.997 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.448 -13.886 -0.713 1.00 0.00 C ATOM 0 H ILE A 17 -1.993 -14.960 2.418 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.168 -12.683 1.132 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.180 -15.156 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.160 -15.337 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.857 -15.773 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.453 -14.503 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.777 -13.408 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.846 -12.899 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.342 -14.337 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.463 -13.507 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.740 -13.064 -0.612 1.00 0.00 H new ATOM 211 N SER A 18 -3.507 -12.949 4.394 1.00 0.00 N ATOM 212 CA SER A 18 -3.782 -12.185 5.599 1.00 0.00 C ATOM 213 C SER A 18 -2.952 -10.900 5.605 1.00 0.00 C ATOM 214 O SER A 18 -3.465 -9.827 5.920 1.00 0.00 O ATOM 215 CB SER A 18 -3.490 -13.011 6.853 1.00 0.00 C ATOM 216 OG SER A 18 -3.809 -12.300 8.047 1.00 0.00 O ATOM 0 H SER A 18 -3.310 -13.937 4.551 1.00 0.00 H new ATOM 0 HA SER A 18 -4.841 -11.926 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.063 -13.937 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.436 -13.289 6.867 1.00 0.00 H new ATOM 0 HG SER A 18 -3.610 -12.861 8.825 1.00 0.00 H new ATOM 222 N ARG A 19 -1.684 -11.050 5.252 1.00 0.00 N ATOM 223 CA ARG A 19 -0.778 -9.915 5.213 1.00 0.00 C ATOM 224 C ARG A 19 -1.361 -8.800 4.343 1.00 0.00 C ATOM 225 O ARG A 19 -1.574 -7.685 4.816 1.00 0.00 O ATOM 226 CB ARG A 19 0.590 -10.321 4.661 1.00 0.00 C ATOM 227 CG ARG A 19 1.719 -9.785 5.544 1.00 0.00 C ATOM 228 CD ARG A 19 2.011 -10.742 6.701 1.00 0.00 C ATOM 229 NE ARG A 19 2.440 -12.057 6.174 1.00 0.00 N ATOM 230 CZ ARG A 19 3.651 -12.299 5.653 1.00 0.00 C ATOM 231 NH1 ARG A 19 4.560 -11.317 5.587 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.953 -13.523 5.199 1.00 0.00 N ATOM 0 H ARG A 19 -1.262 -11.941 4.990 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.653 -9.556 6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.654 -11.407 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.705 -9.939 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.619 -9.647 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.445 -8.806 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.789 -10.326 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.121 -10.861 7.319 1.00 0.00 H new ATOM 0 HE ARG A 19 1.772 -12.827 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.330 -10.385 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.482 -11.501 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.261 -14.271 5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.875 -13.707 4.803 1.00 0.00 H new ATOM 246 N LEU A 20 -1.604 -9.140 3.085 1.00 0.00 N ATOM 247 CA LEU A 20 -2.159 -8.182 2.145 1.00 0.00 C ATOM 248 C LEU A 20 -3.385 -7.512 2.769 1.00 0.00 C ATOM 249 O LEU A 20 -3.520 -6.291 2.722 1.00 0.00 O ATOM 250 CB LEU A 20 -2.443 -8.854 0.800 1.00 0.00 C ATOM 251 CG LEU A 20 -1.217 -9.222 -0.038 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.568 -10.279 -1.088 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.588 -7.977 -0.666 1.00 0.00 C ATOM 0 H LEU A 20 -1.426 -10.066 2.696 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.437 -7.393 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.018 -9.761 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.075 -8.190 0.211 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.470 -9.661 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.679 -10.523 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.934 -11.178 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.341 -9.890 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.281 -8.267 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.317 -7.487 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.279 -7.289 0.121 1.00 0.00 H new ATOM 265 N GLN A 21 -4.247 -8.342 3.339 1.00 0.00 N ATOM 266 CA GLN A 21 -5.457 -7.845 3.971 1.00 0.00 C ATOM 267 C GLN A 21 -5.104 -6.927 5.143 1.00 0.00 C ATOM 268 O GLN A 21 -5.919 -6.104 5.558 1.00 0.00 O ATOM 269 CB GLN A 21 -6.350 -9.000 4.429 1.00 0.00 C ATOM 270 CG GLN A 21 -7.275 -9.458 3.299 1.00 0.00 C ATOM 271 CD GLN A 21 -8.496 -10.194 3.855 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.907 -10.001 4.987 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.051 -11.046 2.998 1.00 0.00 N ATOM 0 H GLN A 21 -4.131 -9.355 3.376 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.016 -7.266 3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.731 -9.835 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.945 -8.687 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.600 -8.595 2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.729 -10.113 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.656 -11.160 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.871 -11.586 3.274 1.00 0.00 H new ATOM 282 N GLU A 22 -3.890 -7.099 5.644 1.00 0.00 N ATOM 283 CA GLU A 22 -3.420 -6.296 6.760 1.00 0.00 C ATOM 284 C GLU A 22 -2.623 -5.094 6.251 1.00 0.00 C ATOM 285 O GLU A 22 -2.395 -4.137 6.990 1.00 0.00 O ATOM 286 CB GLU A 22 -2.585 -7.138 7.728 1.00 0.00 C ATOM 287 CG GLU A 22 -1.602 -6.263 8.508 1.00 0.00 C ATOM 288 CD GLU A 22 -1.052 -7.007 9.726 1.00 0.00 C ATOM 289 OE1 GLU A 22 -0.040 -7.720 9.546 1.00 0.00 O ATOM 290 OE2 GLU A 22 -1.655 -6.848 10.809 1.00 0.00 O ATOM 0 H GLU A 22 -3.217 -7.783 5.298 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.287 -5.926 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.243 -7.660 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.038 -7.900 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.780 -5.965 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.100 -5.349 8.830 1.00 0.00 H new ATOM 297 N ILE A 23 -2.220 -5.183 4.992 1.00 0.00 N ATOM 298 CA ILE A 23 -1.452 -4.114 4.375 1.00 0.00 C ATOM 299 C ILE A 23 -2.408 -3.137 3.688 1.00 0.00 C ATOM 300 O ILE A 23 -2.190 -1.927 3.714 1.00 0.00 O ATOM 301 CB ILE A 23 -0.386 -4.690 3.442 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.802 -5.235 4.237 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.048 -3.656 2.400 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.271 -6.577 3.671 1.00 0.00 C ATOM 0 H ILE A 23 -2.411 -5.978 4.382 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.908 -3.549 5.132 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.824 -5.529 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.622 -4.518 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.520 -5.356 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.807 -4.091 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.814 -3.357 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.461 -2.782 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.116 -6.942 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.456 -7.299 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.576 -6.447 2.632 1.00 0.00 H new ATOM 316 N GLN A 24 -3.448 -3.699 3.088 1.00 0.00 N ATOM 317 CA GLN A 24 -4.438 -2.892 2.394 1.00 0.00 C ATOM 318 C GLN A 24 -5.134 -1.947 3.376 1.00 0.00 C ATOM 319 O GLN A 24 -5.283 -0.758 3.097 1.00 0.00 O ATOM 320 CB GLN A 24 -5.455 -3.776 1.670 1.00 0.00 C ATOM 321 CG GLN A 24 -4.929 -4.206 0.299 1.00 0.00 C ATOM 322 CD GLN A 24 -5.920 -5.139 -0.400 1.00 0.00 C ATOM 323 OE1 GLN A 24 -7.127 -4.987 -0.309 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.344 -6.111 -1.102 1.00 0.00 N ATOM 0 H GLN A 24 -3.626 -4.703 3.068 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.927 -2.291 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.671 -4.658 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.393 -3.234 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.754 -3.326 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.969 -4.710 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.327 -6.181 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.919 -6.786 -1.606 1.00 0.00 H new ATOM 333 N ARG A 25 -5.540 -2.511 4.504 1.00 0.00 N ATOM 334 CA ARG A 25 -6.217 -1.733 5.528 1.00 0.00 C ATOM 335 C ARG A 25 -5.326 -0.580 5.994 1.00 0.00 C ATOM 336 O ARG A 25 -5.823 0.469 6.400 1.00 0.00 O ATOM 337 CB ARG A 25 -6.582 -2.605 6.731 1.00 0.00 C ATOM 338 CG ARG A 25 -5.335 -2.983 7.532 1.00 0.00 C ATOM 339 CD ARG A 25 -5.700 -3.854 8.736 1.00 0.00 C ATOM 340 NE ARG A 25 -4.656 -3.739 9.779 1.00 0.00 N ATOM 341 CZ ARG A 25 -4.791 -4.200 11.030 1.00 0.00 C ATOM 342 NH1 ARG A 25 -5.925 -4.809 11.401 1.00 0.00 N ATOM 343 NH2 ARG A 25 -3.792 -4.051 11.910 1.00 0.00 N ATOM 0 H ARG A 25 -5.413 -3.497 4.731 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.133 -1.335 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.283 -2.071 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.087 -3.509 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.635 -3.518 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.829 -2.079 7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.664 -3.545 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.802 -4.894 8.425 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.780 -3.280 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.686 -4.922 10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.027 -5.160 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.929 -3.587 11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.895 -4.402 12.862 1.00 0.00 H new ATOM 357 N GLU A 26 -4.024 -0.813 5.920 1.00 0.00 N ATOM 358 CA GLU A 26 -3.058 0.193 6.329 1.00 0.00 C ATOM 359 C GLU A 26 -3.074 1.371 5.353 1.00 0.00 C ATOM 360 O GLU A 26 -3.344 2.505 5.747 1.00 0.00 O ATOM 361 CB GLU A 26 -1.655 -0.407 6.442 1.00 0.00 C ATOM 362 CG GLU A 26 -1.509 -1.220 7.730 1.00 0.00 C ATOM 363 CD GLU A 26 -0.818 -0.398 8.821 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.335 0.700 9.117 1.00 0.00 O ATOM 365 OE2 GLU A 26 0.212 -0.887 9.333 1.00 0.00 O ATOM 0 H GLU A 26 -3.615 -1.684 5.583 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.340 0.560 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.458 -1.045 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.912 0.390 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.492 -1.538 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.933 -2.124 7.531 1.00 0.00 H new ATOM 372 N VAL A 27 -2.780 1.063 4.098 1.00 0.00 N ATOM 373 CA VAL A 27 -2.757 2.083 3.063 1.00 0.00 C ATOM 374 C VAL A 27 -4.139 2.730 2.960 1.00 0.00 C ATOM 375 O VAL A 27 -4.252 3.913 2.644 1.00 0.00 O ATOM 376 CB VAL A 27 -2.281 1.476 1.742 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.949 0.745 1.923 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.342 0.545 1.152 1.00 0.00 C ATOM 0 H VAL A 27 -2.556 0.122 3.775 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.048 2.871 3.318 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.122 2.292 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.633 0.323 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.194 1.447 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.070 -0.056 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.978 0.127 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.547 -0.263 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.258 1.107 0.968 1.00 0.00 H new ATOM 388 N LYS A 28 -5.156 1.926 3.233 1.00 0.00 N ATOM 389 CA LYS A 28 -6.526 2.406 3.175 1.00 0.00 C ATOM 390 C LYS A 28 -6.786 3.340 4.359 1.00 0.00 C ATOM 391 O LYS A 28 -7.396 4.396 4.199 1.00 0.00 O ATOM 392 CB LYS A 28 -7.503 1.231 3.094 1.00 0.00 C ATOM 393 CG LYS A 28 -8.818 1.655 2.437 1.00 0.00 C ATOM 394 CD LYS A 28 -8.867 1.214 0.973 1.00 0.00 C ATOM 395 CE LYS A 28 -9.094 -0.294 0.861 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.921 -0.608 -0.325 1.00 0.00 N ATOM 0 H LYS A 28 -5.059 0.945 3.495 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.687 2.988 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.053 0.418 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.700 0.847 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.657 1.219 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.927 2.738 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.667 1.745 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.934 1.483 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.135 -0.807 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.586 -0.661 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.065 -1.636 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.843 -0.134 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.437 -0.275 -1.183 1.00 0.00 H new ATOM 410 N ALA A 29 -6.308 2.918 5.520 1.00 0.00 N ATOM 411 CA ALA A 29 -6.481 3.704 6.730 1.00 0.00 C ATOM 412 C ALA A 29 -5.659 4.990 6.620 1.00 0.00 C ATOM 413 O ALA A 29 -5.931 5.966 7.316 1.00 0.00 O ATOM 414 CB ALA A 29 -6.087 2.863 7.946 1.00 0.00 C ATOM 0 H ALA A 29 -5.801 2.042 5.649 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.525 3.990 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.217 3.453 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.719 1.977 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.044 2.560 7.856 1.00 0.00 H new ATOM 420 N ILE A 30 -4.670 4.948 5.739 1.00 0.00 N ATOM 421 CA ILE A 30 -3.807 6.098 5.528 1.00 0.00 C ATOM 422 C ILE A 30 -4.108 6.712 4.160 1.00 0.00 C ATOM 423 O ILE A 30 -3.416 7.630 3.722 1.00 0.00 O ATOM 424 CB ILE A 30 -2.339 5.708 5.718 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.828 4.901 4.523 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.136 4.966 7.040 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.774 5.688 3.741 1.00 0.00 C ATOM 0 H ILE A 30 -4.447 4.136 5.163 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.008 6.867 6.274 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.746 6.621 5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.401 3.960 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.661 4.650 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.085 4.700 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.437 5.608 7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.742 4.060 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.427 5.092 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.211 6.617 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.068 5.917 4.394 1.00 0.00 H new ATOM 439 N GLU A 31 -5.141 6.181 3.523 1.00 0.00 N ATOM 440 CA GLU A 31 -5.542 6.665 2.213 1.00 0.00 C ATOM 441 C GLU A 31 -6.016 8.117 2.306 1.00 0.00 C ATOM 442 O GLU A 31 -5.713 8.930 1.435 1.00 0.00 O ATOM 443 CB GLU A 31 -6.626 5.772 1.606 1.00 0.00 C ATOM 444 CG GLU A 31 -7.204 6.398 0.336 1.00 0.00 C ATOM 445 CD GLU A 31 -8.479 5.673 -0.102 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.335 4.601 -0.728 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.568 6.208 0.200 1.00 0.00 O ATOM 0 H GLU A 31 -5.713 5.420 3.890 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.676 6.628 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.208 4.792 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.422 5.615 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.423 7.451 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.464 6.356 -0.464 1.00 0.00 H new ATOM 454 N PRO A 32 -6.772 8.405 3.399 1.00 0.00 N ATOM 455 CA PRO A 32 -7.292 9.745 3.618 1.00 0.00 C ATOM 456 C PRO A 32 -6.186 10.691 4.091 1.00 0.00 C ATOM 457 O PRO A 32 -6.229 11.888 3.814 1.00 0.00 O ATOM 458 CB PRO A 32 -8.404 9.573 4.640 1.00 0.00 C ATOM 459 CG PRO A 32 -8.160 8.226 5.300 1.00 0.00 C ATOM 460 CD PRO A 32 -7.152 7.467 4.452 1.00 0.00 C ATOM 0 HA PRO A 32 -7.675 10.202 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.386 10.377 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.383 9.601 4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.782 8.360 6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.091 7.665 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.288 7.163 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.589 6.559 4.035 1.00 0.00 H new ATOM 468 N GLN A 33 -5.222 10.117 4.796 1.00 0.00 N ATOM 469 CA GLN A 33 -4.107 10.895 5.310 1.00 0.00 C ATOM 470 C GLN A 33 -3.305 11.499 4.155 1.00 0.00 C ATOM 471 O GLN A 33 -2.587 12.480 4.340 1.00 0.00 O ATOM 472 CB GLN A 33 -3.213 10.041 6.211 1.00 0.00 C ATOM 473 CG GLN A 33 -3.916 9.717 7.531 1.00 0.00 C ATOM 474 CD GLN A 33 -3.311 8.472 8.183 1.00 0.00 C ATOM 475 OE1 GLN A 33 -4.006 7.597 8.674 1.00 0.00 O ATOM 476 NE2 GLN A 33 -1.982 8.440 8.160 1.00 0.00 N ATOM 0 H GLN A 33 -5.190 9.123 5.023 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.505 11.709 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.951 9.116 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.281 10.570 6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.831 10.565 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.979 9.558 7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.461 9.206 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.484 7.650 8.569 1.00 0.00 H new ATOM 485 N VAL A 34 -3.453 10.886 2.990 1.00 0.00 N ATOM 486 CA VAL A 34 -2.751 11.351 1.806 1.00 0.00 C ATOM 487 C VAL A 34 -3.648 12.321 1.034 1.00 0.00 C ATOM 488 O VAL A 34 -3.214 13.410 0.661 1.00 0.00 O ATOM 489 CB VAL A 34 -2.298 10.157 0.963 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.710 10.619 -0.372 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.298 9.291 1.732 1.00 0.00 C ATOM 0 H VAL A 34 -4.049 10.071 2.841 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.849 11.895 2.086 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.175 9.546 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.396 9.751 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.465 11.174 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.850 11.262 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.992 8.449 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.423 9.888 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.765 8.918 2.643 1.00 0.00 H new ATOM 501 N VAL A 35 -4.882 11.892 0.819 1.00 0.00 N ATOM 502 CA VAL A 35 -5.844 12.709 0.099 1.00 0.00 C ATOM 503 C VAL A 35 -6.097 13.999 0.880 1.00 0.00 C ATOM 504 O VAL A 35 -6.235 15.070 0.291 1.00 0.00 O ATOM 505 CB VAL A 35 -7.121 11.907 -0.161 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.172 12.765 -0.869 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.819 10.639 -0.962 1.00 0.00 C ATOM 0 H VAL A 35 -5.239 10.989 1.131 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.450 12.992 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.529 11.605 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.070 12.171 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.420 13.624 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.776 13.111 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.744 10.088 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.376 10.911 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.122 10.014 -0.404 1.00 0.00 H new ATOM 517 N GLY A 36 -6.151 13.855 2.196 1.00 0.00 N ATOM 518 CA GLY A 36 -6.385 14.996 3.065 1.00 0.00 C ATOM 519 C GLY A 36 -5.065 15.567 3.588 1.00 0.00 C ATOM 520 O GLY A 36 -5.048 16.289 4.584 1.00 0.00 O ATOM 0 H GLY A 36 -6.037 12.965 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.928 15.768 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.013 14.696 3.904 1.00 0.00 H new ATOM 524 N PHE A 37 -3.991 15.223 2.892 1.00 0.00 N ATOM 525 CA PHE A 37 -2.670 15.692 3.274 1.00 0.00 C ATOM 526 C PHE A 37 -2.542 17.202 3.060 1.00 0.00 C ATOM 527 O PHE A 37 -3.446 17.835 2.518 1.00 0.00 O ATOM 528 CB PHE A 37 -1.663 14.974 2.373 1.00 0.00 C ATOM 529 CG PHE A 37 -0.203 15.199 2.770 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.177 15.071 4.070 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.716 15.527 1.822 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.532 15.280 4.437 1.00 0.00 C ATOM 533 CE2 PHE A 37 2.072 15.736 2.190 1.00 0.00 C ATOM 534 CZ PHE A 37 2.451 15.608 3.490 1.00 0.00 C ATOM 0 H PHE A 37 -4.009 14.625 2.066 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.492 15.485 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.873 13.905 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.806 15.310 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.552 14.810 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.415 15.628 0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.833 15.178 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.802 15.996 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.482 15.767 3.770 1.00 0.00 H new ATOM 544 N SER A 38 -1.410 17.735 3.497 1.00 0.00 N ATOM 545 CA SER A 38 -1.151 19.158 3.360 1.00 0.00 C ATOM 546 C SER A 38 0.220 19.499 3.945 1.00 0.00 C ATOM 547 O SER A 38 0.333 19.814 5.129 1.00 0.00 O ATOM 548 CB SER A 38 -2.241 19.984 4.045 1.00 0.00 C ATOM 549 OG SER A 38 -3.089 20.636 3.103 1.00 0.00 O ATOM 0 H SER A 38 -0.662 17.207 3.946 1.00 0.00 H new ATOM 0 HA SER A 38 -1.158 19.406 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.840 19.335 4.683 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.778 20.729 4.692 1.00 0.00 H new ATOM 0 HG SER A 38 -3.546 19.965 2.555 1.00 0.00 H new ATOM 555 N GLY A 39 1.229 19.425 3.089 1.00 0.00 N ATOM 556 CA GLY A 39 2.588 19.722 3.507 1.00 0.00 C ATOM 557 C GLY A 39 3.592 19.348 2.414 1.00 0.00 C ATOM 558 O GLY A 39 3.224 18.737 1.412 1.00 0.00 O ATOM 0 H GLY A 39 1.132 19.164 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.677 20.783 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.819 19.175 4.421 1.00 0.00 H new ATOM 562 N LEU A 40 4.839 19.732 2.644 1.00 0.00 N ATOM 563 CA LEU A 40 5.898 19.445 1.691 1.00 0.00 C ATOM 564 C LEU A 40 6.080 17.930 1.579 1.00 0.00 C ATOM 565 O LEU A 40 5.400 17.167 2.263 1.00 0.00 O ATOM 566 CB LEU A 40 7.178 20.192 2.072 1.00 0.00 C ATOM 567 CG LEU A 40 7.294 21.628 1.558 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.622 21.651 0.064 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.031 22.430 1.880 1.00 0.00 C ATOM 0 H LEU A 40 5.140 20.239 3.476 1.00 0.00 H new ATOM 0 HA LEU A 40 5.628 19.808 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.255 20.209 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.031 19.624 1.700 1.00 0.00 H new ATOM 0 HG LEU A 40 8.122 22.110 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.699 22.684 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.570 21.141 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.831 21.145 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.140 23.447 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.170 21.958 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.882 22.457 2.959 1.00 0.00 H new ATOM 581 N SER A 41 7.002 17.539 0.711 1.00 0.00 N ATOM 582 CA SER A 41 7.282 16.129 0.501 1.00 0.00 C ATOM 583 C SER A 41 8.424 15.680 1.415 1.00 0.00 C ATOM 584 O SER A 41 9.205 14.801 1.053 1.00 0.00 O ATOM 585 CB SER A 41 7.632 15.849 -0.962 1.00 0.00 C ATOM 586 OG SER A 41 8.959 16.258 -1.281 1.00 0.00 O ATOM 0 H SER A 41 7.565 18.174 0.145 1.00 0.00 H new ATOM 0 HA SER A 41 6.384 15.562 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.523 14.783 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.927 16.370 -1.610 1.00 0.00 H new ATOM 0 HG SER A 41 9.145 16.061 -2.223 1.00 0.00 H new ATOM 652 N TYR A 46 4.674 14.207 6.318 1.00 0.00 N ATOM 653 CA TYR A 46 4.951 13.318 5.202 1.00 0.00 C ATOM 654 C TYR A 46 5.727 12.084 5.664 1.00 0.00 C ATOM 655 O TYR A 46 5.504 10.982 5.164 1.00 0.00 O ATOM 656 CB TYR A 46 5.821 14.119 4.231 1.00 0.00 C ATOM 657 CG TYR A 46 6.100 13.401 2.909 1.00 0.00 C ATOM 658 CD1 TYR A 46 5.186 13.473 1.878 1.00 0.00 C ATOM 659 CD2 TYR A 46 7.267 12.682 2.748 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.449 12.797 0.634 1.00 0.00 C ATOM 661 CE2 TYR A 46 7.530 12.006 1.504 1.00 0.00 C ATOM 662 CZ TYR A 46 6.608 12.098 0.508 1.00 0.00 C ATOM 663 OH TYR A 46 6.857 11.459 -0.667 1.00 0.00 O ATOM 0 HA TYR A 46 4.023 12.974 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.331 15.070 4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.770 14.350 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.273 14.036 2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.983 12.626 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.741 12.844 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.439 11.439 1.365 1.00 0.00 H new ATOM 0 HH TYR A 46 7.232 10.572 -0.484 1.00 0.00 H new ATOM 673 N LYS A 47 6.624 12.309 6.613 1.00 0.00 N ATOM 674 CA LYS A 47 7.435 11.228 7.148 1.00 0.00 C ATOM 675 C LYS A 47 6.527 10.062 7.543 1.00 0.00 C ATOM 676 O LYS A 47 6.529 9.020 6.890 1.00 0.00 O ATOM 677 CB LYS A 47 8.318 11.735 8.290 1.00 0.00 C ATOM 678 CG LYS A 47 9.760 11.936 7.821 1.00 0.00 C ATOM 679 CD LYS A 47 9.866 13.128 6.867 1.00 0.00 C ATOM 680 CE LYS A 47 10.533 12.720 5.552 1.00 0.00 C ATOM 681 NZ LYS A 47 11.996 12.932 5.625 1.00 0.00 N ATOM 0 H LYS A 47 6.807 13.224 7.025 1.00 0.00 H new ATOM 0 HA LYS A 47 8.121 10.854 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.921 12.676 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.296 11.023 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.407 12.097 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.113 11.034 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.872 13.527 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.440 13.926 7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.322 11.672 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.116 13.302 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.433 12.650 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.193 13.937 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.392 12.358 6.397 1.00 0.00 H new ATOM 695 N ARG A 48 5.772 10.278 8.611 1.00 0.00 N ATOM 696 CA ARG A 48 4.861 9.258 9.101 1.00 0.00 C ATOM 697 C ARG A 48 4.204 8.525 7.929 1.00 0.00 C ATOM 698 O ARG A 48 4.555 7.385 7.630 1.00 0.00 O ATOM 699 CB ARG A 48 3.772 9.871 9.985 1.00 0.00 C ATOM 700 CG ARG A 48 2.829 8.792 10.520 1.00 0.00 C ATOM 701 CD ARG A 48 3.048 8.566 12.017 1.00 0.00 C ATOM 702 NE ARG A 48 2.311 7.361 12.461 1.00 0.00 N ATOM 703 CZ ARG A 48 2.753 6.107 12.298 1.00 0.00 C ATOM 704 NH1 ARG A 48 3.933 5.885 11.702 1.00 0.00 N ATOM 705 NH2 ARG A 48 2.017 5.075 12.732 1.00 0.00 N ATOM 0 H ARG A 48 5.773 11.144 9.150 1.00 0.00 H new ATOM 0 HA ARG A 48 5.442 8.553 9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.231 10.403 10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.204 10.604 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.795 9.086 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.994 7.860 9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.112 8.448 12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.709 9.437 12.578 1.00 0.00 H new ATOM 0 HE ARG A 48 1.410 7.494 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.494 6.671 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.270 4.930 11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.120 5.244 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.354 4.120 12.608 1.00 0.00 H new ATOM 719 N LEU A 49 3.262 9.210 7.298 1.00 0.00 N ATOM 720 CA LEU A 49 2.553 8.639 6.165 1.00 0.00 C ATOM 721 C LEU A 49 3.534 7.838 5.307 1.00 0.00 C ATOM 722 O LEU A 49 3.371 6.631 5.134 1.00 0.00 O ATOM 723 CB LEU A 49 1.809 9.730 5.393 1.00 0.00 C ATOM 724 CG LEU A 49 0.380 10.023 5.855 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.378 10.911 7.101 1.00 0.00 C ATOM 726 CD2 LEU A 49 -0.451 10.626 4.720 1.00 0.00 C ATOM 0 H LEU A 49 2.973 10.155 7.550 1.00 0.00 H new ATOM 0 HA LEU A 49 1.786 7.944 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.387 10.652 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.779 9.447 4.341 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.090 9.079 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.650 11.104 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.910 10.407 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.873 11.856 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.462 10.825 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.007 11.558 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.491 9.925 3.886 1.00 0.00 H new ATOM 738 N GLU A 50 4.530 8.542 4.790 1.00 0.00 N ATOM 739 CA GLU A 50 5.537 7.911 3.954 1.00 0.00 C ATOM 740 C GLU A 50 6.042 6.624 4.609 1.00 0.00 C ATOM 741 O GLU A 50 5.938 5.545 4.028 1.00 0.00 O ATOM 742 CB GLU A 50 6.694 8.872 3.669 1.00 0.00 C ATOM 743 CG GLU A 50 7.824 8.163 2.921 1.00 0.00 C ATOM 744 CD GLU A 50 8.475 9.096 1.898 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.804 9.381 0.883 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.629 9.503 2.154 1.00 0.00 O ATOM 0 H GLU A 50 4.661 9.543 4.934 1.00 0.00 H new ATOM 0 HA GLU A 50 5.078 7.653 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.335 9.714 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.073 9.279 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.574 7.817 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.432 7.280 2.416 1.00 0.00 H new ATOM 753 N ARG A 51 6.578 6.781 5.811 1.00 0.00 N ATOM 754 CA ARG A 51 7.100 5.645 6.552 1.00 0.00 C ATOM 755 C ARG A 51 6.135 4.462 6.457 1.00 0.00 C ATOM 756 O ARG A 51 6.549 3.339 6.174 1.00 0.00 O ATOM 757 CB ARG A 51 7.317 6.000 8.024 1.00 0.00 C ATOM 758 CG ARG A 51 8.606 6.804 8.209 1.00 0.00 C ATOM 759 CD ARG A 51 9.470 6.205 9.321 1.00 0.00 C ATOM 760 NE ARG A 51 10.642 7.073 9.573 1.00 0.00 N ATOM 761 CZ ARG A 51 11.669 6.737 10.366 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.676 5.550 10.987 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.690 7.588 10.537 1.00 0.00 N ATOM 0 H ARG A 51 6.662 7.678 6.290 1.00 0.00 H new ATOM 0 HA ARG A 51 8.059 5.373 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.468 6.577 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.364 5.088 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.167 6.818 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.362 7.839 8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.882 6.099 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.801 5.206 9.038 1.00 0.00 H new ATOM 0 HE ARG A 51 10.670 7.984 9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.900 4.902 10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.458 5.295 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.686 8.492 10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.471 7.332 11.141 1.00 0.00 H new ATOM 777 N ILE A 52 4.865 4.754 6.700 1.00 0.00 N ATOM 778 CA ILE A 52 3.838 3.728 6.645 1.00 0.00 C ATOM 779 C ILE A 52 3.898 3.023 5.288 1.00 0.00 C ATOM 780 O ILE A 52 4.306 1.866 5.203 1.00 0.00 O ATOM 781 CB ILE A 52 2.467 4.325 6.968 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.478 5.020 8.331 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.370 3.262 6.876 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.490 6.188 8.359 1.00 0.00 C ATOM 0 H ILE A 52 4.525 5.686 6.935 1.00 0.00 H new ATOM 0 HA ILE A 52 4.017 2.969 7.406 1.00 0.00 H new ATOM 0 HB ILE A 52 2.242 5.086 6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.221 4.303 9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.482 5.383 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.406 3.713 7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.343 2.853 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.578 2.462 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.518 6.665 9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.764 6.915 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.483 5.818 8.164 1.00 0.00 H new ATOM 796 N LEU A 53 3.485 3.751 4.261 1.00 0.00 N ATOM 797 CA LEU A 53 3.487 3.210 2.912 1.00 0.00 C ATOM 798 C LEU A 53 4.803 2.470 2.666 1.00 0.00 C ATOM 799 O LEU A 53 4.800 1.293 2.307 1.00 0.00 O ATOM 800 CB LEU A 53 3.202 4.314 1.892 1.00 0.00 C ATOM 801 CG LEU A 53 1.742 4.756 1.771 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.630 6.076 1.006 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.887 3.654 1.142 1.00 0.00 C ATOM 0 H LEU A 53 3.147 4.710 4.336 1.00 0.00 H new ATOM 0 HA LEU A 53 2.685 2.482 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.804 5.185 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.540 3.973 0.913 1.00 0.00 H new ATOM 0 HG LEU A 53 1.354 4.932 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.582 6.367 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.187 6.851 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.041 5.952 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.146 3.993 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.266 3.423 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.931 2.760 1.764 1.00 0.00 H new ATOM 815 N THR A 54 5.897 3.190 2.868 1.00 0.00 N ATOM 816 CA THR A 54 7.217 2.616 2.673 1.00 0.00 C ATOM 817 C THR A 54 7.339 1.289 3.426 1.00 0.00 C ATOM 818 O THR A 54 8.011 0.369 2.964 1.00 0.00 O ATOM 819 CB THR A 54 8.253 3.656 3.103 1.00 0.00 C ATOM 820 OG1 THR A 54 9.209 3.652 2.045 1.00 0.00 O ATOM 821 CG2 THR A 54 9.054 3.213 4.329 1.00 0.00 C ATOM 0 H THR A 54 5.896 4.166 3.165 1.00 0.00 H new ATOM 0 HA THR A 54 7.392 2.375 1.624 1.00 0.00 H new ATOM 0 HB THR A 54 7.752 4.600 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.917 4.301 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.775 3.987 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.376 3.049 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.583 2.287 4.103 1.00 0.00 H new ATOM 829 N LYS A 55 6.679 1.234 4.573 1.00 0.00 N ATOM 830 CA LYS A 55 6.704 0.036 5.394 1.00 0.00 C ATOM 831 C LYS A 55 5.770 -1.013 4.788 1.00 0.00 C ATOM 832 O LYS A 55 6.141 -2.178 4.657 1.00 0.00 O ATOM 833 CB LYS A 55 6.383 0.378 6.851 1.00 0.00 C ATOM 834 CG LYS A 55 7.649 0.364 7.709 1.00 0.00 C ATOM 835 CD LYS A 55 8.172 1.784 7.938 1.00 0.00 C ATOM 836 CE LYS A 55 9.051 1.850 9.188 1.00 0.00 C ATOM 837 NZ LYS A 55 10.478 1.961 8.813 1.00 0.00 N ATOM 0 H LYS A 55 6.123 2.000 4.953 1.00 0.00 H new ATOM 0 HA LYS A 55 7.704 -0.397 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.915 1.361 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.663 -0.339 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.437 -0.109 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.417 -0.236 7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.744 2.109 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.333 2.472 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.762 2.706 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.897 0.958 9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.061 2.005 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.754 1.132 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.623 2.825 8.252 1.00 0.00 H new ATOM 851 N GLN A 56 4.576 -0.562 4.435 1.00 0.00 N ATOM 852 CA GLN A 56 3.585 -1.447 3.845 1.00 0.00 C ATOM 853 C GLN A 56 4.105 -2.022 2.526 1.00 0.00 C ATOM 854 O GLN A 56 3.994 -3.222 2.281 1.00 0.00 O ATOM 855 CB GLN A 56 2.254 -0.721 3.640 1.00 0.00 C ATOM 856 CG GLN A 56 1.768 -0.088 4.946 1.00 0.00 C ATOM 857 CD GLN A 56 1.572 -1.149 6.030 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.096 -1.056 7.128 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.789 -2.159 5.663 1.00 0.00 N ATOM 0 H GLN A 56 4.272 0.405 4.546 1.00 0.00 H new ATOM 0 HA GLN A 56 3.408 -2.273 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.370 0.051 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.506 -1.423 3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.490 0.654 5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.829 0.437 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.382 -2.175 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.595 -2.918 6.317 1.00 0.00 H new ATOM 868 N LEU A 57 4.662 -1.138 1.711 1.00 0.00 N ATOM 869 CA LEU A 57 5.200 -1.543 0.423 1.00 0.00 C ATOM 870 C LEU A 57 6.198 -2.684 0.628 1.00 0.00 C ATOM 871 O LEU A 57 6.041 -3.761 0.056 1.00 0.00 O ATOM 872 CB LEU A 57 5.786 -0.338 -0.315 1.00 0.00 C ATOM 873 CG LEU A 57 6.620 -0.654 -1.558 1.00 0.00 C ATOM 874 CD1 LEU A 57 8.041 -1.069 -1.174 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.930 -1.707 -2.428 1.00 0.00 C ATOM 0 H LEU A 57 4.752 -0.143 1.917 1.00 0.00 H new ATOM 0 HA LEU A 57 4.406 -1.925 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.966 0.317 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.408 0.223 0.383 1.00 0.00 H new ATOM 0 HG LEU A 57 6.701 0.254 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.612 -1.288 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.522 -0.258 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.003 -1.958 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.544 -1.913 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.798 -2.624 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.956 -1.335 -2.746 1.00 0.00 H new ATOM 887 N PHE A 58 7.204 -2.408 1.445 1.00 0.00 N ATOM 888 CA PHE A 58 8.228 -3.398 1.732 1.00 0.00 C ATOM 889 C PHE A 58 7.601 -4.749 2.083 1.00 0.00 C ATOM 890 O PHE A 58 8.211 -5.795 1.866 1.00 0.00 O ATOM 891 CB PHE A 58 9.018 -2.887 2.939 1.00 0.00 C ATOM 892 CG PHE A 58 10.501 -3.263 2.916 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.882 -4.546 3.154 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.439 -2.312 2.656 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.258 -4.895 3.132 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.816 -2.661 2.634 1.00 0.00 C ATOM 897 CZ PHE A 58 13.196 -3.944 2.873 1.00 0.00 C ATOM 0 H PHE A 58 7.332 -1.513 1.917 1.00 0.00 H new ATOM 0 HA PHE A 58 8.865 -3.539 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.930 -1.802 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.567 -3.283 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.137 -5.301 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.137 -1.293 2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.560 -5.915 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.561 -1.907 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.243 -4.209 2.857 1.00 0.00 H new ATOM 907 N GLU A 59 6.392 -4.683 2.618 1.00 0.00 N ATOM 908 CA GLU A 59 5.676 -5.888 3.001 1.00 0.00 C ATOM 909 C GLU A 59 5.050 -6.548 1.770 1.00 0.00 C ATOM 910 O GLU A 59 4.928 -7.770 1.711 1.00 0.00 O ATOM 911 CB GLU A 59 4.613 -5.583 4.058 1.00 0.00 C ATOM 912 CG GLU A 59 5.164 -5.802 5.469 1.00 0.00 C ATOM 913 CD GLU A 59 4.654 -7.120 6.057 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.893 -8.161 5.409 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.037 -7.055 7.142 1.00 0.00 O ATOM 0 H GLU A 59 5.889 -3.814 2.796 1.00 0.00 H new ATOM 0 HA GLU A 59 6.389 -6.585 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.275 -4.552 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.744 -6.222 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.254 -5.809 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.867 -4.973 6.112 1.00 0.00 H new ATOM 922 N ILE A 60 4.671 -5.709 0.817 1.00 0.00 N ATOM 923 CA ILE A 60 4.061 -6.195 -0.409 1.00 0.00 C ATOM 924 C ILE A 60 5.061 -7.081 -1.154 1.00 0.00 C ATOM 925 O ILE A 60 4.721 -8.182 -1.584 1.00 0.00 O ATOM 926 CB ILE A 60 3.533 -5.027 -1.244 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.534 -4.188 -0.444 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.938 -5.521 -2.564 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.879 -3.124 -1.327 1.00 0.00 C ATOM 0 H ILE A 60 4.775 -4.696 0.869 1.00 0.00 H new ATOM 0 HA ILE A 60 3.192 -6.814 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 60 4.373 -4.378 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.767 -4.836 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.044 -3.708 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.570 -4.671 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.706 -6.041 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.114 -6.204 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.174 -2.542 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.646 -2.463 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.350 -3.608 -2.148 1.00 0.00 H new ATOM 941 N ASP A 61 6.276 -6.567 -1.284 1.00 0.00 N ATOM 942 CA ASP A 61 7.328 -7.298 -1.970 1.00 0.00 C ATOM 943 C ASP A 61 7.675 -8.555 -1.170 1.00 0.00 C ATOM 944 O ASP A 61 8.055 -9.574 -1.743 1.00 0.00 O ATOM 945 CB ASP A 61 8.596 -6.451 -2.094 1.00 0.00 C ATOM 946 CG ASP A 61 9.560 -6.888 -3.199 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.929 -8.083 -3.190 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.907 -6.018 -4.027 1.00 0.00 O ATOM 0 H ASP A 61 6.555 -5.654 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 61 6.967 -7.554 -2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.307 -5.415 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.125 -6.474 -1.141 1.00 0.00 H new ATOM 953 N SER A 62 7.531 -8.440 0.142 1.00 0.00 N ATOM 954 CA SER A 62 7.825 -9.555 1.027 1.00 0.00 C ATOM 955 C SER A 62 6.857 -10.708 0.755 1.00 0.00 C ATOM 956 O SER A 62 7.236 -11.875 0.838 1.00 0.00 O ATOM 957 CB SER A 62 7.745 -9.129 2.494 1.00 0.00 C ATOM 958 OG SER A 62 8.897 -9.532 3.230 1.00 0.00 O ATOM 0 H SER A 62 7.215 -7.593 0.614 1.00 0.00 H new ATOM 0 HA SER A 62 8.843 -9.890 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.638 -8.046 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.854 -9.562 2.949 1.00 0.00 H new ATOM 0 HG SER A 62 8.809 -9.240 4.161 1.00 0.00 H new ATOM 964 N VAL A 63 5.624 -10.340 0.436 1.00 0.00 N ATOM 965 CA VAL A 63 4.598 -11.330 0.152 1.00 0.00 C ATOM 966 C VAL A 63 5.052 -12.207 -1.017 1.00 0.00 C ATOM 967 O VAL A 63 5.196 -11.725 -2.140 1.00 0.00 O ATOM 968 CB VAL A 63 3.259 -10.636 -0.105 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.341 -11.514 -0.958 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.581 -10.248 1.210 1.00 0.00 C ATOM 0 H VAL A 63 5.313 -9.371 0.368 1.00 0.00 H new ATOM 0 HA VAL A 63 4.450 -11.985 1.011 1.00 0.00 H new ATOM 0 HB VAL A 63 3.458 -9.720 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.396 -10.997 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.819 -11.717 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.153 -12.455 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.631 -9.757 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.402 -11.144 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.226 -9.567 1.765 1.00 0.00 H new ATOM 980 N ASP A 64 5.263 -13.479 -0.714 1.00 0.00 N ATOM 981 CA ASP A 64 5.697 -14.427 -1.725 1.00 0.00 C ATOM 982 C ASP A 64 4.473 -14.976 -2.462 1.00 0.00 C ATOM 983 O ASP A 64 3.505 -15.401 -1.833 1.00 0.00 O ATOM 984 CB ASP A 64 6.437 -15.608 -1.092 1.00 0.00 C ATOM 985 CG ASP A 64 6.612 -16.825 -2.003 1.00 0.00 C ATOM 986 OD1 ASP A 64 5.649 -17.618 -2.080 1.00 0.00 O ATOM 987 OD2 ASP A 64 7.704 -16.933 -2.601 1.00 0.00 O ATOM 0 H ASP A 64 5.141 -13.875 0.218 1.00 0.00 H new ATOM 0 HA ASP A 64 6.367 -13.907 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.422 -15.270 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.898 -15.918 -0.197 1.00 0.00 H new ATOM 992 N THR A 65 4.557 -14.949 -3.784 1.00 0.00 N ATOM 993 CA THR A 65 3.468 -15.439 -4.612 1.00 0.00 C ATOM 994 C THR A 65 3.902 -16.690 -5.378 1.00 0.00 C ATOM 995 O THR A 65 4.342 -16.601 -6.523 1.00 0.00 O ATOM 996 CB THR A 65 3.016 -14.296 -5.523 1.00 0.00 C ATOM 997 OG1 THR A 65 4.173 -13.991 -6.298 1.00 0.00 O ATOM 998 CG2 THR A 65 2.737 -13.006 -4.749 1.00 0.00 C ATOM 0 H THR A 65 5.362 -14.596 -4.302 1.00 0.00 H new ATOM 0 HA THR A 65 2.617 -15.747 -4.005 1.00 0.00 H new ATOM 0 HB THR A 65 2.119 -14.597 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.512 -14.810 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.420 -12.227 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.949 -13.184 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.644 -12.687 -4.235 1.00 0.00 H new ATOM 1006 N GLU A 66 3.763 -17.829 -4.714 1.00 0.00 N ATOM 1007 CA GLU A 66 4.135 -19.097 -5.318 1.00 0.00 C ATOM 1008 C GLU A 66 3.177 -19.443 -6.459 1.00 0.00 C ATOM 1009 O GLU A 66 2.462 -20.442 -6.393 1.00 0.00 O ATOM 1010 CB GLU A 66 4.169 -20.213 -4.272 1.00 0.00 C ATOM 1011 CG GLU A 66 5.258 -21.237 -4.598 1.00 0.00 C ATOM 1012 CD GLU A 66 4.667 -22.642 -4.735 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.893 -22.841 -5.696 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.002 -23.485 -3.875 1.00 0.00 O ATOM 0 H GLU A 66 3.398 -17.900 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 66 5.139 -19.000 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.350 -19.786 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.199 -20.709 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.759 -20.958 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.014 -21.232 -3.813 1.00 0.00 H new ATOM 1021 N GLY A 67 3.194 -18.599 -7.480 1.00 0.00 N ATOM 1022 CA GLY A 67 2.335 -18.803 -8.634 1.00 0.00 C ATOM 1023 C GLY A 67 0.969 -19.347 -8.212 1.00 0.00 C ATOM 1024 O GLY A 67 0.603 -20.465 -8.573 1.00 0.00 O ATOM 0 H GLY A 67 3.789 -17.772 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.206 -17.861 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.809 -19.499 -9.326 1.00 0.00 H new ATOM 1028 N LYS A 68 0.251 -18.532 -7.452 1.00 0.00 N ATOM 1029 CA LYS A 68 -1.066 -18.918 -6.977 1.00 0.00 C ATOM 1030 C LYS A 68 -2.122 -18.031 -7.639 1.00 0.00 C ATOM 1031 O LYS A 68 -3.247 -18.471 -7.876 1.00 0.00 O ATOM 1032 CB LYS A 68 -1.113 -18.892 -5.448 1.00 0.00 C ATOM 1033 CG LYS A 68 -0.198 -19.965 -4.853 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.399 -20.080 -3.341 1.00 0.00 C ATOM 1035 CE LYS A 68 0.536 -21.133 -2.742 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.152 -22.439 -2.641 1.00 0.00 N ATOM 0 H LYS A 68 0.557 -17.606 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.288 -19.946 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.809 -17.909 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.136 -19.053 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.404 -20.926 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.842 -19.721 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.213 -19.114 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.435 -20.344 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.427 -21.232 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.869 -20.813 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.496 -23.142 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.989 -22.344 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.448 -22.750 -3.588 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.724 -16.799 -7.920 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.622 -15.847 -8.550 1.00 0.00 C ATOM 1052 C GLY A 69 -3.394 -15.044 -7.501 1.00 0.00 C ATOM 1053 O GLY A 69 -3.237 -13.827 -7.407 1.00 0.00 O ATOM 0 H GLY A 69 -0.791 -16.438 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.052 -15.169 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.323 -16.375 -9.197 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.210 -15.756 -6.739 1.00 0.00 N ATOM 1058 CA ASP A 70 -5.007 -15.125 -5.701 1.00 0.00 C ATOM 1059 C ASP A 70 -4.153 -14.087 -4.970 1.00 0.00 C ATOM 1060 O ASP A 70 -4.621 -12.987 -4.679 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.485 -16.152 -4.673 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.484 -15.619 -3.643 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.807 -14.415 -3.736 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.901 -16.428 -2.787 1.00 0.00 O ATOM 0 H ASP A 70 -4.337 -16.765 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.871 -14.660 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.943 -16.988 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.617 -16.546 -4.145 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.916 -14.472 -4.695 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.992 -13.588 -4.004 1.00 0.00 C ATOM 1071 C ILE A 71 -1.289 -12.692 -5.026 1.00 0.00 C ATOM 1072 O ILE A 71 -1.279 -11.471 -4.882 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.031 -14.396 -3.130 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.789 -15.415 -2.277 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.157 -13.472 -2.278 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.821 -16.306 -1.497 1.00 0.00 C ATOM 0 H ILE A 71 -2.531 -15.385 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.531 -12.931 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.364 -14.958 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.449 -14.894 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.421 -16.031 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.517 -14.071 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.426 -12.821 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.791 -12.865 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.386 -17.021 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.179 -16.844 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.207 -15.689 -0.841 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.719 -13.334 -6.035 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.016 -12.610 -7.080 1.00 0.00 C ATOM 1090 C GLN A 72 -0.835 -11.400 -7.531 1.00 0.00 C ATOM 1091 O GLN A 72 -0.293 -10.310 -7.708 1.00 0.00 O ATOM 1092 CB GLN A 72 0.303 -13.528 -8.263 1.00 0.00 C ATOM 1093 CG GLN A 72 1.797 -13.500 -8.591 1.00 0.00 C ATOM 1094 CD GLN A 72 2.053 -12.792 -9.923 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.146 -12.504 -10.687 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.335 -12.528 -10.158 1.00 0.00 N ATOM 0 H GLN A 72 -0.730 -14.347 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 72 0.930 -12.252 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.003 -14.548 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.271 -13.215 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.338 -12.990 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.182 -14.519 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.044 -12.796 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.609 -12.057 -11.020 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.128 -11.631 -7.705 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.027 -10.573 -8.132 1.00 0.00 C ATOM 1107 C GLN A 73 -3.103 -9.478 -7.065 1.00 0.00 C ATOM 1108 O GLN A 73 -2.775 -8.323 -7.332 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.418 -11.129 -8.446 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.714 -11.048 -9.945 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.385 -12.369 -10.642 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -3.237 -12.761 -10.775 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -5.452 -13.033 -11.077 1.00 0.00 N ATOM 0 H GLN A 73 -2.575 -12.536 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.631 -10.134 -9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.483 -12.165 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.171 -10.569 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.765 -10.804 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.131 -10.242 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.386 -12.648 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.337 -13.927 -11.555 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.536 -9.881 -5.880 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.659 -8.948 -4.772 1.00 0.00 C ATOM 1124 C ALA A 74 -2.356 -8.158 -4.629 1.00 0.00 C ATOM 1125 O ALA A 74 -2.326 -6.954 -4.878 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.019 -9.714 -3.497 1.00 0.00 C ATOM 0 H ALA A 74 -3.806 -10.840 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.460 -8.233 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.111 -9.015 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.966 -10.234 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.236 -10.440 -3.275 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.312 -8.868 -4.230 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.010 -8.249 -4.051 1.00 0.00 C ATOM 1134 C ARG A 75 0.266 -7.257 -5.183 1.00 0.00 C ATOM 1135 O ARG A 75 0.403 -6.058 -4.943 1.00 0.00 O ATOM 1136 CB ARG A 75 1.102 -9.300 -4.023 1.00 0.00 C ATOM 1137 CG ARG A 75 2.357 -8.752 -3.342 1.00 0.00 C ATOM 1138 CD ARG A 75 3.605 -9.508 -3.802 1.00 0.00 C ATOM 1139 NE ARG A 75 4.582 -8.564 -4.388 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.550 -8.141 -5.659 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.590 -8.577 -6.485 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.478 -7.283 -6.104 1.00 0.00 N ATOM 0 H ARG A 75 -1.341 -9.867 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.022 -7.724 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.755 -10.188 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.341 -9.609 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.465 -7.692 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.254 -8.837 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.054 -10.032 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.331 -10.264 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 75 5.327 -8.213 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.884 -9.231 -6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.565 -8.255 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.209 -6.951 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.453 -6.961 -7.072 1.00 0.00 H new ATOM 1156 N LYS A 76 0.338 -7.793 -6.393 1.00 0.00 N ATOM 1157 CA LYS A 76 0.595 -6.970 -7.562 1.00 0.00 C ATOM 1158 C LYS A 76 -0.188 -5.661 -7.441 1.00 0.00 C ATOM 1159 O LYS A 76 0.399 -4.580 -7.432 1.00 0.00 O ATOM 1160 CB LYS A 76 0.294 -7.750 -8.843 1.00 0.00 C ATOM 1161 CG LYS A 76 0.196 -6.811 -10.047 1.00 0.00 C ATOM 1162 CD LYS A 76 0.460 -7.564 -11.353 1.00 0.00 C ATOM 1163 CE LYS A 76 -0.846 -7.838 -12.101 1.00 0.00 C ATOM 1164 NZ LYS A 76 -0.809 -7.230 -13.450 1.00 0.00 N ATOM 0 H LYS A 76 0.223 -8.787 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 76 1.651 -6.706 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.077 -8.488 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.641 -8.298 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.794 -6.357 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.916 -5.999 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.130 -6.980 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.965 -8.506 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.005 -8.913 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.687 -7.434 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.703 -7.426 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.679 -6.202 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.019 -7.635 -13.992 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.503 -5.801 -7.350 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.372 -4.643 -7.230 1.00 0.00 C ATOM 1180 C ARG A 77 -1.977 -3.807 -6.012 1.00 0.00 C ATOM 1181 O ARG A 77 -1.863 -2.585 -6.103 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.837 -5.066 -7.097 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.332 -5.739 -8.378 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.399 -4.886 -9.068 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.514 -5.744 -9.527 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.696 -5.277 -9.953 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.924 -3.957 -9.980 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -8.649 -6.130 -10.352 1.00 0.00 N ATOM 0 H ARG A 77 -1.987 -6.699 -7.357 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.258 -4.047 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.946 -5.751 -6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.453 -4.193 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.494 -5.899 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.743 -6.721 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.772 -4.128 -8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.962 -4.358 -9.916 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.374 -6.754 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.198 -3.308 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.823 -3.601 -10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.475 -7.135 -10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.548 -5.775 -10.676 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.778 -4.498 -4.899 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.398 -3.834 -3.664 1.00 0.00 C ATOM 1204 C ALA A 78 -0.148 -2.987 -3.909 1.00 0.00 C ATOM 1205 O ALA A 78 -0.111 -1.810 -3.551 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.188 -4.879 -2.566 1.00 0.00 C ATOM 0 H ALA A 78 -1.873 -5.511 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.190 -3.164 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.903 -4.381 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.113 -5.434 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.398 -5.568 -2.866 1.00 0.00 H new ATOM 1212 N ALA A 79 0.846 -3.618 -4.517 1.00 0.00 N ATOM 1213 CA ALA A 79 2.094 -2.937 -4.815 1.00 0.00 C ATOM 1214 C ALA A 79 1.792 -1.605 -5.503 1.00 0.00 C ATOM 1215 O ALA A 79 2.381 -0.579 -5.165 1.00 0.00 O ATOM 1216 CB ALA A 79 2.981 -3.846 -5.667 1.00 0.00 C ATOM 0 H ALA A 79 0.812 -4.594 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 79 2.640 -2.717 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.917 -3.335 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.191 -4.765 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.468 -4.086 -6.598 1.00 0.00 H new ATOM 1222 N GLN A 80 0.874 -1.663 -6.457 1.00 0.00 N ATOM 1223 CA GLN A 80 0.487 -0.473 -7.196 1.00 0.00 C ATOM 1224 C GLN A 80 -0.344 0.456 -6.309 1.00 0.00 C ATOM 1225 O GLN A 80 -0.122 1.665 -6.291 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.277 -0.843 -8.469 1.00 0.00 C ATOM 1227 CG GLN A 80 0.650 -1.507 -9.491 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.083 -1.763 -10.810 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.300 -1.748 -10.887 1.00 0.00 O ATOM 1230 NE2 GLN A 80 0.725 -1.999 -11.840 1.00 0.00 N ATOM 0 H GLN A 80 0.387 -2.515 -6.735 1.00 0.00 H new ATOM 0 HA GLN A 80 1.392 0.056 -7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.096 -1.519 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.722 0.052 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.516 -0.870 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.024 -2.449 -9.090 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.736 -1.997 -11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.333 -2.182 -12.764 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.285 -0.145 -5.595 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.151 0.613 -4.708 1.00 0.00 C ATOM 1241 C GLU A 81 -1.318 1.528 -3.808 1.00 0.00 C ATOM 1242 O GLU A 81 -1.446 2.750 -3.870 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.034 -0.318 -3.875 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.504 -0.187 -4.280 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.741 -0.758 -5.679 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.757 -2.003 -5.788 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -4.901 0.063 -6.608 1.00 0.00 O ATOM 0 H GLU A 81 -1.467 -1.149 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.808 1.234 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.707 -1.349 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.922 -0.081 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.131 -0.711 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.799 0.862 -4.257 1.00 0.00 H new ATOM 1254 N THR A 82 -0.482 0.902 -2.993 1.00 0.00 N ATOM 1255 CA THR A 82 0.372 1.644 -2.081 1.00 0.00 C ATOM 1256 C THR A 82 1.074 2.786 -2.819 1.00 0.00 C ATOM 1257 O THR A 82 0.881 3.955 -2.488 1.00 0.00 O ATOM 1258 CB THR A 82 1.341 0.656 -1.429 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.695 0.287 -0.214 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.640 1.323 -0.973 1.00 0.00 C ATOM 0 H THR A 82 -0.378 -0.112 -2.945 1.00 0.00 H new ATOM 0 HA THR A 82 -0.211 2.118 -1.291 1.00 0.00 H new ATOM 0 HB THR A 82 1.572 -0.143 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.269 -0.589 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.292 0.577 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.142 1.767 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.413 2.101 -0.244 1.00 0.00 H new ATOM 1268 N GLU A 83 1.874 2.407 -3.805 1.00 0.00 N ATOM 1269 CA GLU A 83 2.606 3.384 -4.592 1.00 0.00 C ATOM 1270 C GLU A 83 1.668 4.498 -5.062 1.00 0.00 C ATOM 1271 O GLU A 83 2.057 5.663 -5.113 1.00 0.00 O ATOM 1272 CB GLU A 83 3.306 2.719 -5.779 1.00 0.00 C ATOM 1273 CG GLU A 83 4.288 1.646 -5.305 1.00 0.00 C ATOM 1274 CD GLU A 83 5.723 2.176 -5.310 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.190 2.541 -6.411 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.321 2.204 -4.213 1.00 0.00 O ATOM 0 H GLU A 83 2.031 1.436 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 83 3.376 3.827 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.563 2.271 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.837 3.472 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.020 1.321 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.217 0.772 -5.952 1.00 0.00 H new ATOM 1283 N ARG A 84 0.448 4.099 -5.395 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.549 5.048 -5.859 1.00 0.00 C ATOM 1285 C ARG A 84 -0.764 6.145 -4.814 1.00 0.00 C ATOM 1286 O ARG A 84 -0.834 7.325 -5.154 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.882 4.353 -6.141 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.334 4.596 -7.582 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.368 5.721 -7.650 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.368 5.427 -8.701 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.167 5.635 -10.009 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -3.001 6.141 -10.435 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -5.131 5.339 -10.891 1.00 0.00 N ATOM 0 H ARG A 84 0.128 3.131 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.181 5.490 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.782 3.282 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.641 4.721 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.472 4.851 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.760 3.681 -7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.864 5.829 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.873 6.669 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.267 5.042 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.268 6.367 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.847 6.300 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.019 4.955 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.977 5.498 -11.887 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.865 5.716 -3.565 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.071 6.647 -2.468 1.00 0.00 C ATOM 1309 C LEU A 85 0.229 7.407 -2.199 1.00 0.00 C ATOM 1310 O LEU A 85 0.213 8.622 -2.006 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.622 5.917 -1.242 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.130 6.039 -1.010 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.566 7.505 -1.000 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.910 5.214 -2.036 1.00 0.00 C ATOM 0 H LEU A 85 -0.808 4.736 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.825 7.388 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.373 4.860 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.107 6.293 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.360 5.629 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.642 7.564 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.046 8.034 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.322 7.964 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.979 5.318 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.681 5.571 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.627 4.165 -1.950 1.00 0.00 H new ATOM 1326 N LEU A 86 1.323 6.661 -2.194 1.00 0.00 N ATOM 1327 CA LEU A 86 2.630 7.249 -1.952 1.00 0.00 C ATOM 1328 C LEU A 86 2.862 8.391 -2.943 1.00 0.00 C ATOM 1329 O LEU A 86 3.373 9.446 -2.572 1.00 0.00 O ATOM 1330 CB LEU A 86 3.717 6.173 -1.986 1.00 0.00 C ATOM 1331 CG LEU A 86 4.532 6.001 -0.703 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.490 4.814 -0.817 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.264 7.295 -0.341 1.00 0.00 C ATOM 0 H LEU A 86 1.332 5.654 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 86 2.674 7.681 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.248 5.219 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.404 6.404 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 86 3.843 5.782 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.057 4.714 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.920 3.902 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.177 4.979 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.836 7.146 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.941 7.569 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.538 8.094 -0.189 1.00 0.00 H new ATOM 1345 N LYS A 87 2.476 8.141 -4.186 1.00 0.00 N ATOM 1346 CA LYS A 87 2.636 9.134 -5.234 1.00 0.00 C ATOM 1347 C LYS A 87 1.598 10.242 -5.043 1.00 0.00 C ATOM 1348 O LYS A 87 1.863 11.405 -5.343 1.00 0.00 O ATOM 1349 CB LYS A 87 2.583 8.473 -6.612 1.00 0.00 C ATOM 1350 CG LYS A 87 1.897 9.384 -7.632 1.00 0.00 C ATOM 1351 CD LYS A 87 2.536 9.239 -9.014 1.00 0.00 C ATOM 1352 CE LYS A 87 2.016 7.992 -9.731 1.00 0.00 C ATOM 1353 NZ LYS A 87 1.430 8.354 -11.041 1.00 0.00 N ATOM 0 H LYS A 87 2.053 7.264 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 87 3.618 9.602 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.594 8.242 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.046 7.527 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.837 9.137 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.966 10.421 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.320 10.124 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.620 9.179 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.830 7.281 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.266 7.497 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.082 7.496 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.640 9.015 -10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.156 8.806 -11.633 1.00 0.00 H new ATOM 1367 N GLU A 88 0.437 9.842 -4.545 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.642 10.786 -4.311 1.00 0.00 C ATOM 1369 C GLU A 88 -0.279 11.735 -3.168 1.00 0.00 C ATOM 1370 O GLU A 88 -0.888 12.793 -3.017 1.00 0.00 O ATOM 1371 CB GLU A 88 -1.956 10.056 -4.021 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.965 10.275 -5.151 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.778 11.550 -4.921 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.485 11.595 -3.892 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.673 12.452 -5.780 1.00 0.00 O ATOM 0 H GLU A 88 0.220 8.877 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.784 11.377 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.765 8.990 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.375 10.413 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.440 10.341 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.636 9.418 -5.215 1.00 0.00 H new ATOM 1382 N LEU A 89 0.713 11.322 -2.392 1.00 0.00 N ATOM 1383 CA LEU A 89 1.165 12.123 -1.266 1.00 0.00 C ATOM 1384 C LEU A 89 2.213 13.128 -1.749 1.00 0.00 C ATOM 1385 O LEU A 89 2.024 14.337 -1.621 1.00 0.00 O ATOM 1386 CB LEU A 89 1.654 11.222 -0.130 1.00 0.00 C ATOM 1387 CG LEU A 89 2.071 11.934 1.158 1.00 0.00 C ATOM 1388 CD1 LEU A 89 0.868 12.597 1.832 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.801 10.977 2.102 1.00 0.00 C ATOM 0 H LEU A 89 1.216 10.444 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 89 0.338 12.699 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.863 10.512 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.503 10.642 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 89 2.772 12.727 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.192 13.096 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.429 13.329 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.125 11.839 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.086 11.509 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.143 10.147 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.695 10.592 1.611 1.00 0.00 H new ATOM 1401 N GLU A 90 3.294 12.591 -2.295 1.00 0.00 N ATOM 1402 CA GLU A 90 4.372 13.426 -2.797 1.00 0.00 C ATOM 1403 C GLU A 90 3.807 14.571 -3.641 1.00 0.00 C ATOM 1404 O GLU A 90 4.325 15.686 -3.606 1.00 0.00 O ATOM 1405 CB GLU A 90 5.378 12.598 -3.600 1.00 0.00 C ATOM 1406 CG GLU A 90 4.820 12.246 -4.981 1.00 0.00 C ATOM 1407 CD GLU A 90 5.899 11.610 -5.861 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.434 10.563 -5.437 1.00 0.00 O ATOM 1409 OE2 GLU A 90 6.163 12.186 -6.939 1.00 0.00 O ATOM 0 H GLU A 90 3.447 11.588 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 90 4.901 13.854 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.308 13.156 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.618 11.684 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.981 11.559 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.436 13.145 -5.462 1.00 0.00 H new ATOM 1416 N GLN A 91 2.753 14.255 -4.379 1.00 0.00 N ATOM 1417 CA GLN A 91 2.113 15.244 -5.230 1.00 0.00 C ATOM 1418 C GLN A 91 1.267 16.201 -4.388 1.00 0.00 C ATOM 1419 O GLN A 91 1.520 17.405 -4.368 1.00 0.00 O ATOM 1420 CB GLN A 91 1.265 14.570 -6.311 1.00 0.00 C ATOM 1421 CG GLN A 91 2.037 14.468 -7.628 1.00 0.00 C ATOM 1422 CD GLN A 91 1.209 15.014 -8.793 1.00 0.00 C ATOM 1423 OE1 GLN A 91 0.014 14.791 -8.897 1.00 0.00 O ATOM 1424 NE2 GLN A 91 1.909 15.740 -9.661 1.00 0.00 N ATOM 0 H GLN A 91 2.326 13.329 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 91 2.890 15.821 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.971 13.574 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.348 15.138 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.972 15.023 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.300 13.428 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.907 15.888 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.447 16.149 -10.473 1.00 0.00 H new ATOM 1433 N ASN A 92 0.281 15.630 -3.712 1.00 0.00 N ATOM 1434 CA ASN A 92 -0.604 16.418 -2.870 1.00 0.00 C ATOM 1435 C ASN A 92 0.234 17.268 -1.913 1.00 0.00 C ATOM 1436 O ASN A 92 -0.196 18.340 -1.490 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.512 15.518 -2.031 1.00 0.00 C ATOM 1438 CG ASN A 92 -2.799 15.180 -2.786 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.457 16.035 -3.356 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.120 13.890 -2.759 1.00 0.00 N ATOM 0 H ASN A 92 0.075 14.631 -3.730 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.217 17.044 -3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.984 14.599 -1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.757 16.016 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.961 13.564 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.525 13.227 -2.263 1.00 0.00 H new ATOM 1447 N ALA A 93 1.416 16.758 -1.599 1.00 0.00 N ATOM 1448 CA ALA A 93 2.318 17.457 -0.699 1.00 0.00 C ATOM 1449 C ALA A 93 2.390 18.932 -1.100 1.00 0.00 C ATOM 1450 O ALA A 93 1.849 19.793 -0.409 1.00 0.00 O ATOM 1451 CB ALA A 93 3.689 16.779 -0.723 1.00 0.00 C ATOM 0 H ALA A 93 1.770 15.869 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 93 1.949 17.412 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.366 17.303 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.588 15.742 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.092 16.808 -1.735 1.00 0.00 H new ATOM 1457 N SER A 94 3.062 19.177 -2.216 1.00 0.00 N ATOM 1458 CA SER A 94 3.211 20.532 -2.717 1.00 0.00 C ATOM 1459 C SER A 94 4.005 20.522 -4.025 1.00 0.00 C ATOM 1460 O SER A 94 3.705 21.284 -4.943 1.00 0.00 O ATOM 1461 CB SER A 94 3.899 21.428 -1.685 1.00 0.00 C ATOM 1462 OG SER A 94 3.661 22.811 -1.935 1.00 0.00 O ATOM 0 H SER A 94 3.509 18.460 -2.787 1.00 0.00 H new ATOM 0 HA SER A 94 2.217 20.938 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.541 21.173 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.972 21.237 -1.697 1.00 0.00 H new ATOM 0 HG SER A 94 4.115 23.349 -1.254 1.00 0.00 H new