USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 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 60 CYS SG : rot -140:sc= 0.972 USER MOD Set 1.2: A 62 ASN : amide:sc= -2! K(o=-4.6!,f=-2.8) USER MOD Set 1.3: A 67 CYS SG : rot 146:sc= 0.253 USER MOD Set 1.4: A 71 MET CE :methyl -178:sc= -2.91 (180deg=-2.93) USER MOD Set 1.5: A 79 HIS : no HD1:sc= -1.05 K(o=-4.6,f=-3.3) USER MOD Set 1.6: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.7: A 83 CYS SG : rot 146:sc= 0.132 USER MOD Set 2.1: A 33 CYS SG : rot 170:sc= -1.23 USER MOD Set 2.2: A 37 CYS SG : rot 52:sc= 0.243 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -9.46! C(o=-12!,f=-12!) USER MOD Set 2.4: A 53 CYS SG : rot 94:sc= -1.75 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -1.65! X(o=-7.7!,f=-8) USER MOD Set 3.2: A 9 HIS : no HE2:sc= -2.86! C(o=-7.7!,f=-7.8!) USER MOD Set 3.3: A 10 CYS SG : rot 143:sc= -0.364 USER MOD Set 3.4: A 13 CYS SG : rot 156:sc= 0.191 USER MOD Set 3.5: A 15 SER OG : rot 180:sc= -0.0576 USER MOD Set 3.6: A 18 CYS SG : rot -49:sc= 0.461 USER MOD Set 3.7: A 20 THR OG1 : rot -160:sc= 0 USER MOD Set 3.8: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.9: A 28 CYS SG : rot -53:sc= -0.813 USER MOD Set 3.10: A 42 HIS : no HE2:sc= -0.289 K(o=-7.7,f=-11!) USER MOD Set 3.11: A 44 CYS SG : rot -116:sc= -2.28 USER MOD Single : A 6 GLN : amide:sc= -2.11! C(o=-2.1!,f=-3.4!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.91! K(o=-3.9!,f=-0.3) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-1.06) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 161:sc= 0.0308 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -15.480 10.473 7.211 1.00 0.00 N ATOM 148 CA GLN A 6 -15.284 9.052 7.474 1.00 0.00 C ATOM 149 C GLN A 6 -16.606 8.296 7.393 1.00 0.00 C ATOM 150 O GLN A 6 -17.680 8.899 7.417 1.00 0.00 O ATOM 151 CB GLN A 6 -14.650 8.849 8.851 1.00 0.00 C ATOM 152 CG GLN A 6 -15.531 9.309 10.000 1.00 0.00 C ATOM 153 CD GLN A 6 -14.872 9.123 11.352 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.848 8.448 11.469 1.00 0.00 O ATOM 155 NE2 GLN A 6 -15.456 9.722 12.384 1.00 0.00 N ATOM 0 HA GLN A 6 -14.613 8.656 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.418 7.792 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.705 9.390 8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.780 10.361 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.469 8.754 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.303 10.272 12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.057 9.632 13.318 1.00 0.00 H new ATOM 164 N HIS A 7 -16.521 6.973 7.297 1.00 0.00 N ATOM 165 CA HIS A 7 -17.711 6.134 7.214 1.00 0.00 C ATOM 166 C HIS A 7 -18.090 5.590 8.588 1.00 0.00 C ATOM 167 O HIS A 7 -17.403 4.727 9.135 1.00 0.00 O ATOM 168 CB HIS A 7 -17.479 4.978 6.241 1.00 0.00 C ATOM 169 CG HIS A 7 -17.579 5.378 4.801 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.702 4.934 3.833 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.462 6.183 4.165 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.040 5.451 2.666 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.105 6.213 2.839 1.00 0.00 N ATOM 0 H HIS A 7 -15.640 6.459 7.275 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.533 6.748 6.847 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.492 4.553 6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.207 4.192 6.443 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.293 6.705 4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.532 5.280 1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.584 6.738 2.107 1.00 0.00 H new ATOM 181 N SER A 8 -19.186 6.101 9.140 1.00 0.00 N ATOM 182 CA SER A 8 -19.653 5.669 10.452 1.00 0.00 C ATOM 183 C SER A 8 -19.495 4.161 10.616 1.00 0.00 C ATOM 184 O SER A 8 -19.051 3.681 11.660 1.00 0.00 O ATOM 185 CB SER A 8 -21.118 6.064 10.650 1.00 0.00 C ATOM 186 OG SER A 8 -21.226 7.370 11.189 1.00 0.00 O ATOM 0 H SER A 8 -19.767 6.814 8.699 1.00 0.00 H new ATOM 0 HA SER A 8 -19.044 6.165 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.643 6.017 9.696 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.603 5.351 11.316 1.00 0.00 H new ATOM 0 HG SER A 8 -22.172 7.599 11.304 1.00 0.00 H new ATOM 192 N HIS A 9 -19.861 3.417 9.577 1.00 0.00 N ATOM 193 CA HIS A 9 -19.760 1.962 9.604 1.00 0.00 C ATOM 194 C HIS A 9 -18.300 1.520 9.605 1.00 0.00 C ATOM 195 O HIS A 9 -17.812 0.955 10.585 1.00 0.00 O ATOM 196 CB HIS A 9 -20.487 1.356 8.404 1.00 0.00 C ATOM 197 CG HIS A 9 -20.091 -0.059 8.114 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.751 -1.148 8.642 1.00 0.00 N ATOM 199 CD2 HIS A 9 -19.096 -0.560 7.346 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.179 -2.258 8.212 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.171 -1.929 7.423 1.00 0.00 N ATOM 0 H HIS A 9 -20.230 3.798 8.706 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.231 1.607 10.521 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.561 1.394 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.289 1.967 7.524 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.556 -1.103 9.267 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.376 0.011 6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.483 -3.264 8.462 1.00 0.00 H new ATOM 209 N CYS A 10 -17.607 1.779 8.502 1.00 0.00 N ATOM 210 CA CYS A 10 -16.203 1.407 8.374 1.00 0.00 C ATOM 211 C CYS A 10 -15.430 1.755 9.643 1.00 0.00 C ATOM 212 O CYS A 10 -14.791 0.895 10.249 1.00 0.00 O ATOM 213 CB CYS A 10 -15.574 2.112 7.171 1.00 0.00 C ATOM 214 SG CYS A 10 -16.530 1.949 5.630 1.00 0.00 S ATOM 0 H CYS A 10 -17.995 2.246 7.682 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.151 0.329 8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.458 3.171 7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.574 1.710 7.010 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.467 3.062 4.961 1.00 0.00 H new ATOM 219 N VAL A 11 -15.495 3.022 10.040 1.00 0.00 N ATOM 220 CA VAL A 11 -14.804 3.484 11.238 1.00 0.00 C ATOM 221 C VAL A 11 -15.000 2.512 12.396 1.00 0.00 C ATOM 222 O VAL A 11 -14.161 2.419 13.291 1.00 0.00 O ATOM 223 CB VAL A 11 -15.294 4.880 11.665 1.00 0.00 C ATOM 224 CG1 VAL A 11 -15.111 5.880 10.533 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.748 4.822 12.107 1.00 0.00 C ATOM 0 H VAL A 11 -16.019 3.747 9.550 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.744 3.539 10.990 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.694 5.213 12.512 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.463 6.861 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.055 5.942 10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.684 5.555 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.078 5.817 12.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.365 4.468 11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.845 4.140 12.951 1.00 0.00 H new ATOM 235 N ASN A 12 -16.115 1.789 12.371 1.00 0.00 N ATOM 236 CA ASN A 12 -16.423 0.823 13.420 1.00 0.00 C ATOM 237 C ASN A 12 -16.587 -0.578 12.838 1.00 0.00 C ATOM 238 O ASN A 12 -17.448 -1.345 13.270 1.00 0.00 O ATOM 239 CB ASN A 12 -17.697 1.232 14.161 1.00 0.00 C ATOM 240 CG ASN A 12 -17.407 2.078 15.386 1.00 0.00 C ATOM 241 OD1 ASN A 12 -17.341 1.569 16.504 1.00 0.00 O ATOM 242 ND2 ASN A 12 -17.234 3.378 15.179 1.00 0.00 N ATOM 0 H ASN A 12 -16.820 1.853 11.637 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.590 0.810 14.123 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.345 1.788 13.484 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.242 0.337 14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.037 3.998 15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.298 3.757 14.234 1.00 0.00 H new ATOM 249 N CYS A 13 -15.755 -0.905 11.855 1.00 0.00 N ATOM 250 CA CYS A 13 -15.807 -2.213 11.213 1.00 0.00 C ATOM 251 C CYS A 13 -14.413 -2.826 11.114 1.00 0.00 C ATOM 252 O CYS A 13 -13.570 -2.358 10.348 1.00 0.00 O ATOM 253 CB CYS A 13 -16.424 -2.096 9.818 1.00 0.00 C ATOM 254 SG CYS A 13 -16.513 -3.672 8.909 1.00 0.00 S ATOM 0 H CYS A 13 -15.037 -0.282 11.486 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.430 -2.866 11.825 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -17.429 -1.685 9.911 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.841 -1.384 9.233 1.00 0.00 H new ATOM 0 HG CYS A 13 -17.451 -3.603 8.012 1.00 0.00 H new ATOM 259 N VAL A 14 -14.177 -3.876 11.894 1.00 0.00 N ATOM 260 CA VAL A 14 -12.886 -4.554 11.894 1.00 0.00 C ATOM 261 C VAL A 14 -12.974 -5.902 11.186 1.00 0.00 C ATOM 262 O VAL A 14 -11.982 -6.400 10.654 1.00 0.00 O ATOM 263 CB VAL A 14 -12.367 -4.773 13.327 1.00 0.00 C ATOM 264 CG1 VAL A 14 -12.116 -3.439 14.014 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.350 -5.617 14.126 1.00 0.00 C ATOM 0 H VAL A 14 -14.863 -4.276 12.534 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.190 -3.909 11.358 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.420 -5.311 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.750 -3.614 15.026 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.373 -2.874 13.451 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.046 -2.872 14.058 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.968 -5.762 15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.313 -5.108 14.172 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.474 -6.586 13.643 1.00 0.00 H new ATOM 275 N SER A 15 -14.168 -6.486 11.181 1.00 0.00 N ATOM 276 CA SER A 15 -14.385 -7.778 10.541 1.00 0.00 C ATOM 277 C SER A 15 -13.801 -7.790 9.131 1.00 0.00 C ATOM 278 O SER A 15 -13.742 -6.757 8.463 1.00 0.00 O ATOM 279 CB SER A 15 -15.879 -8.101 10.490 1.00 0.00 C ATOM 280 OG SER A 15 -16.638 -6.951 10.158 1.00 0.00 O ATOM 0 H SER A 15 -15.000 -6.085 11.613 1.00 0.00 H new ATOM 0 HA SER A 15 -13.877 -8.539 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.060 -8.885 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.204 -8.489 11.456 1.00 0.00 H new ATOM 0 HG SER A 15 -17.590 -7.184 10.130 1.00 0.00 H new ATOM 286 N ARG A 16 -13.372 -8.965 8.685 1.00 0.00 N ATOM 287 CA ARG A 16 -12.792 -9.113 7.356 1.00 0.00 C ATOM 288 C ARG A 16 -13.858 -9.508 6.339 1.00 0.00 C ATOM 289 O ARG A 16 -13.929 -8.942 5.248 1.00 0.00 O ATOM 290 CB ARG A 16 -11.678 -10.161 7.376 1.00 0.00 C ATOM 291 CG ARG A 16 -10.734 -10.070 6.187 1.00 0.00 C ATOM 292 CD ARG A 16 -9.641 -11.124 6.262 1.00 0.00 C ATOM 293 NE ARG A 16 -10.180 -12.453 6.537 1.00 0.00 N ATOM 294 CZ ARG A 16 -10.382 -12.925 7.762 1.00 0.00 C ATOM 295 NH1 ARG A 16 -10.092 -12.180 8.820 1.00 0.00 N ATOM 296 NH2 ARG A 16 -10.876 -14.145 7.932 1.00 0.00 N ATOM 0 H ARG A 16 -13.415 -9.829 9.225 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.371 -8.151 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.103 -10.050 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.126 -11.155 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.298 -10.194 5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.283 -9.078 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.091 -11.143 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.929 -10.853 7.042 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.414 -13.052 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.713 -11.242 8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.248 -12.545 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.101 -14.722 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.031 -14.506 8.873 1.00 0.00 H new ATOM 310 N ARG A 17 -14.684 -10.483 6.703 1.00 0.00 N ATOM 311 CA ARG A 17 -15.746 -10.955 5.822 1.00 0.00 C ATOM 312 C ARG A 17 -17.001 -10.102 5.978 1.00 0.00 C ATOM 313 O ARG A 17 -18.121 -10.615 5.947 1.00 0.00 O ATOM 314 CB ARG A 17 -16.070 -12.420 6.118 1.00 0.00 C ATOM 315 CG ARG A 17 -15.308 -13.402 5.243 1.00 0.00 C ATOM 316 CD ARG A 17 -13.805 -13.215 5.376 1.00 0.00 C ATOM 317 NE ARG A 17 -13.290 -12.231 4.427 1.00 0.00 N ATOM 318 CZ ARG A 17 -13.264 -12.420 3.113 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.722 -13.551 2.594 1.00 0.00 N ATOM 320 NH2 ARG A 17 -12.781 -11.477 2.315 1.00 0.00 N ATOM 0 H ARG A 17 -14.638 -10.962 7.602 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.396 -10.869 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.845 -12.629 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.140 -12.581 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.575 -14.422 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.602 -13.268 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.568 -12.898 6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.305 -14.170 5.215 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.930 -11.350 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.095 -14.278 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.701 -13.694 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.429 -10.605 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.762 -11.624 1.306 1.00 0.00 H new ATOM 334 N CYS A 18 -16.808 -8.799 6.148 1.00 0.00 N ATOM 335 CA CYS A 18 -17.924 -7.875 6.311 1.00 0.00 C ATOM 336 C CYS A 18 -18.724 -7.755 5.017 1.00 0.00 C ATOM 337 O CYS A 18 -18.294 -7.101 4.067 1.00 0.00 O ATOM 338 CB CYS A 18 -17.414 -6.497 6.737 1.00 0.00 C ATOM 339 SG CYS A 18 -18.449 -5.111 6.165 1.00 0.00 S ATOM 0 H CYS A 18 -15.888 -8.358 6.177 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.579 -8.269 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -17.352 -6.465 7.825 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.402 -6.362 6.355 1.00 0.00 H new ATOM 0 HG CYS A 18 -18.690 -5.245 4.894 1.00 0.00 H new ATOM 344 N MET A 19 -19.891 -8.391 4.988 1.00 0.00 N ATOM 345 CA MET A 19 -20.752 -8.354 3.812 1.00 0.00 C ATOM 346 C MET A 19 -21.886 -7.351 4.000 1.00 0.00 C ATOM 347 O MET A 19 -23.026 -7.607 3.609 1.00 0.00 O ATOM 348 CB MET A 19 -21.326 -9.744 3.531 1.00 0.00 C ATOM 349 CG MET A 19 -20.264 -10.794 3.245 1.00 0.00 C ATOM 350 SD MET A 19 -20.845 -12.082 2.126 1.00 0.00 S ATOM 351 CE MET A 19 -19.496 -12.142 0.949 1.00 0.00 C ATOM 0 H MET A 19 -20.262 -8.938 5.765 1.00 0.00 H new ATOM 0 HA MET A 19 -20.149 -8.038 2.960 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.919 -10.063 4.388 1.00 0.00 H new ATOM 0 HB3 MET A 19 -22.003 -9.683 2.679 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.388 -10.311 2.813 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.947 -11.249 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.708 -12.895 0.190 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.385 -11.168 0.472 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.572 -12.399 1.467 1.00 0.00 H new ATOM 361 N THR A 20 -21.567 -6.209 4.600 1.00 0.00 N ATOM 362 CA THR A 20 -22.559 -5.168 4.840 1.00 0.00 C ATOM 363 C THR A 20 -22.794 -4.333 3.587 1.00 0.00 C ATOM 364 O THR A 20 -21.849 -3.831 2.977 1.00 0.00 O ATOM 365 CB THR A 20 -22.130 -4.238 5.990 1.00 0.00 C ATOM 366 OG1 THR A 20 -22.125 -4.959 7.228 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.065 -3.043 6.097 1.00 0.00 C ATOM 0 H THR A 20 -20.629 -5.981 4.929 1.00 0.00 H new ATOM 0 HA THR A 20 -23.485 -5.672 5.116 1.00 0.00 H new ATOM 0 HB THR A 20 -21.124 -3.875 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.168 -4.326 7.975 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.742 -2.400 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.044 -2.480 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.080 -3.391 6.288 1.00 0.00 H new ATOM 375 N ARG A 21 -24.059 -4.187 3.208 1.00 0.00 N ATOM 376 CA ARG A 21 -24.418 -3.413 2.026 1.00 0.00 C ATOM 377 C ARG A 21 -23.703 -2.065 2.022 1.00 0.00 C ATOM 378 O ARG A 21 -23.864 -1.246 2.927 1.00 0.00 O ATOM 379 CB ARG A 21 -25.932 -3.199 1.970 1.00 0.00 C ATOM 380 CG ARG A 21 -26.424 -2.674 0.632 1.00 0.00 C ATOM 381 CD ARG A 21 -27.841 -2.130 0.734 1.00 0.00 C ATOM 382 NE ARG A 21 -28.843 -3.173 0.534 1.00 0.00 N ATOM 383 CZ ARG A 21 -30.083 -2.932 0.123 1.00 0.00 C ATOM 384 NH1 ARG A 21 -30.472 -1.690 -0.130 1.00 0.00 N ATOM 385 NH2 ARG A 21 -30.938 -3.934 -0.035 1.00 0.00 N ATOM 0 H ARG A 21 -24.853 -4.595 3.702 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.105 -3.975 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.432 -4.143 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.221 -2.499 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -25.756 -1.888 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.392 -3.474 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -27.984 -1.673 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -27.982 -1.345 -0.008 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.576 -4.140 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -29.818 -0.916 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -31.425 -1.508 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -30.644 -4.891 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -31.890 -3.747 -0.351 1.00 0.00 H new ATOM 399 N PRO A 22 -22.894 -1.827 0.979 1.00 0.00 N ATOM 400 CA PRO A 22 -22.138 -0.580 0.831 1.00 0.00 C ATOM 401 C PRO A 22 -23.040 0.612 0.529 1.00 0.00 C ATOM 402 O PRO A 22 -23.543 0.754 -0.585 1.00 0.00 O ATOM 403 CB PRO A 22 -21.212 -0.864 -0.354 1.00 0.00 C ATOM 404 CG PRO A 22 -21.915 -1.916 -1.140 1.00 0.00 C ATOM 405 CD PRO A 22 -22.655 -2.758 -0.137 1.00 0.00 C ATOM 0 HA PRO A 22 -21.610 -0.312 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.047 0.033 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.234 -1.208 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.603 -1.471 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.206 -2.518 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.589 -3.143 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.066 -3.619 0.177 1.00 0.00 H new ATOM 413 N GLU A 23 -23.239 1.467 1.527 1.00 0.00 N ATOM 414 CA GLU A 23 -24.081 2.646 1.366 1.00 0.00 C ATOM 415 C GLU A 23 -23.231 3.900 1.181 1.00 0.00 C ATOM 416 O GLU A 23 -22.199 4.082 1.827 1.00 0.00 O ATOM 417 CB GLU A 23 -25.000 2.814 2.578 1.00 0.00 C ATOM 418 CG GLU A 23 -25.813 4.097 2.553 1.00 0.00 C ATOM 419 CD GLU A 23 -27.166 3.917 1.892 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.591 2.756 1.718 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.799 4.937 1.549 1.00 0.00 O ATOM 0 H GLU A 23 -22.829 1.365 2.455 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.691 2.506 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -25.680 1.964 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.397 2.794 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.956 4.452 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -25.253 4.867 2.023 1.00 0.00 H new ATOM 428 N PRO A 24 -23.674 4.786 0.277 1.00 0.00 N ATOM 429 CA PRO A 24 -22.970 6.039 -0.015 1.00 0.00 C ATOM 430 C PRO A 24 -23.048 7.030 1.141 1.00 0.00 C ATOM 431 O PRO A 24 -23.915 7.902 1.166 1.00 0.00 O ATOM 432 CB PRO A 24 -23.710 6.584 -1.238 1.00 0.00 C ATOM 433 CG PRO A 24 -25.074 5.992 -1.152 1.00 0.00 C ATOM 434 CD PRO A 24 -24.897 4.635 -0.529 1.00 0.00 C ATOM 0 HA PRO A 24 -21.905 5.880 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.750 7.673 -1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -23.211 6.296 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.733 6.616 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -25.528 5.912 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.753 4.361 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -24.787 3.857 -1.285 1.00 0.00 H new ATOM 442 N GLY A 25 -22.134 6.891 2.097 1.00 0.00 N ATOM 443 CA GLY A 25 -22.117 7.783 3.242 1.00 0.00 C ATOM 444 C GLY A 25 -21.967 7.038 4.554 1.00 0.00 C ATOM 445 O GLY A 25 -21.409 7.568 5.515 1.00 0.00 O ATOM 0 H GLY A 25 -21.406 6.177 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.296 8.492 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.039 8.363 3.260 1.00 0.00 H new ATOM 449 N ILE A 26 -22.467 5.808 4.595 1.00 0.00 N ATOM 450 CA ILE A 26 -22.387 4.990 5.799 1.00 0.00 C ATOM 451 C ILE A 26 -21.288 3.940 5.677 1.00 0.00 C ATOM 452 O ILE A 26 -20.379 3.878 6.505 1.00 0.00 O ATOM 453 CB ILE A 26 -23.725 4.287 6.092 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.805 5.317 6.428 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.561 3.292 7.231 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.016 6.348 5.342 1.00 0.00 C ATOM 0 H ILE A 26 -22.932 5.356 3.808 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.153 5.663 6.624 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.035 3.742 5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.746 4.798 6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.535 5.826 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.515 2.803 7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.819 2.543 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.231 3.817 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.796 7.045 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.088 6.893 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.317 5.850 4.421 1.00 0.00 H new ATOM 468 N SER A 27 -21.378 3.115 4.639 1.00 0.00 N ATOM 469 CA SER A 27 -20.393 2.065 4.409 1.00 0.00 C ATOM 470 C SER A 27 -20.048 1.958 2.927 1.00 0.00 C ATOM 471 O SER A 27 -20.919 2.078 2.064 1.00 0.00 O ATOM 472 CB SER A 27 -20.920 0.722 4.919 1.00 0.00 C ATOM 473 OG SER A 27 -20.134 -0.352 4.433 1.00 0.00 O ATOM 0 H SER A 27 -22.123 3.153 3.944 1.00 0.00 H new ATOM 0 HA SER A 27 -19.487 2.325 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 27 -20.915 0.716 6.009 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.955 0.591 4.604 1.00 0.00 H new ATOM 0 HG SER A 27 -20.490 -1.199 4.774 1.00 0.00 H new ATOM 479 N CYS A 28 -18.771 1.732 2.638 1.00 0.00 N ATOM 480 CA CYS A 28 -18.307 1.610 1.261 1.00 0.00 C ATOM 481 C CYS A 28 -17.931 0.166 0.940 1.00 0.00 C ATOM 482 O CYS A 28 -17.791 -0.664 1.838 1.00 0.00 O ATOM 483 CB CYS A 28 -17.106 2.527 1.022 1.00 0.00 C ATOM 484 SG CYS A 28 -15.647 2.121 2.034 1.00 0.00 S ATOM 0 H CYS A 28 -18.038 1.630 3.340 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.121 1.910 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -16.829 2.478 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.402 3.556 1.227 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.989 2.070 3.287 1.00 0.00 H new ATOM 489 N ASP A 29 -17.770 -0.125 -0.346 1.00 0.00 N ATOM 490 CA ASP A 29 -17.409 -1.467 -0.786 1.00 0.00 C ATOM 491 C ASP A 29 -16.009 -1.838 -0.307 1.00 0.00 C ATOM 492 O ASP A 29 -15.091 -1.017 -0.342 1.00 0.00 O ATOM 493 CB ASP A 29 -17.481 -1.564 -2.311 1.00 0.00 C ATOM 494 CG ASP A 29 -18.615 -0.741 -2.890 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.733 -1.281 -3.020 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.384 0.444 -3.213 1.00 0.00 O ATOM 0 H ASP A 29 -17.884 0.550 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.121 -2.168 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.537 -1.228 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.608 -2.607 -2.600 1.00 0.00 H new ATOM 501 N LEU A 30 -15.852 -3.079 0.141 1.00 0.00 N ATOM 502 CA LEU A 30 -14.563 -3.559 0.629 1.00 0.00 C ATOM 503 C LEU A 30 -13.610 -3.832 -0.530 1.00 0.00 C ATOM 504 O LEU A 30 -14.041 -4.049 -1.663 1.00 0.00 O ATOM 505 CB LEU A 30 -14.752 -4.829 1.460 1.00 0.00 C ATOM 506 CG LEU A 30 -14.974 -4.624 2.959 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.740 -5.797 3.550 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.645 -4.437 3.675 1.00 0.00 C ATOM 0 H LEU A 30 -16.601 -3.771 0.177 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.127 -2.783 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.604 -5.378 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.874 -5.461 1.326 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.568 -3.721 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.889 -5.634 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.709 -5.884 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.173 -6.715 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.823 -4.292 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.025 -5.321 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.134 -3.563 3.271 1.00 0.00 H new ATOM 520 N ILE A 31 -12.314 -3.823 -0.237 1.00 0.00 N ATOM 521 CA ILE A 31 -11.300 -4.073 -1.254 1.00 0.00 C ATOM 522 C ILE A 31 -10.052 -4.702 -0.644 1.00 0.00 C ATOM 523 O ILE A 31 -9.648 -4.354 0.465 1.00 0.00 O ATOM 524 CB ILE A 31 -10.903 -2.777 -1.985 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.617 -1.664 -0.975 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.002 -2.355 -2.949 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.159 -1.562 -0.584 1.00 0.00 C ATOM 0 H ILE A 31 -11.942 -3.645 0.696 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.739 -4.765 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.995 -2.964 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.939 -0.711 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.214 -1.835 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.707 -1.438 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.163 -3.143 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.925 -2.182 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.031 -0.752 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.837 -2.501 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.558 -1.359 -1.470 1.00 0.00 H new ATOM 539 N GLY A 32 -9.444 -5.630 -1.376 1.00 0.00 N ATOM 540 CA GLY A 32 -8.247 -6.292 -0.891 1.00 0.00 C ATOM 541 C GLY A 32 -7.008 -5.431 -1.041 1.00 0.00 C ATOM 542 O GLY A 32 -6.806 -4.796 -2.076 1.00 0.00 O ATOM 0 H GLY A 32 -9.759 -5.935 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.380 -6.553 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.105 -7.225 -1.436 1.00 0.00 H new ATOM 546 N CYS A 33 -6.177 -5.408 -0.005 1.00 0.00 N ATOM 547 CA CYS A 33 -4.952 -4.618 -0.024 1.00 0.00 C ATOM 548 C CYS A 33 -4.283 -4.684 -1.394 1.00 0.00 C ATOM 549 O CYS A 33 -4.147 -5.750 -1.995 1.00 0.00 O ATOM 550 CB CYS A 33 -3.985 -5.112 1.053 1.00 0.00 C ATOM 551 SG CYS A 33 -2.520 -4.053 1.280 1.00 0.00 S ATOM 0 H CYS A 33 -6.330 -5.928 0.859 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.215 -3.581 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.519 -5.183 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.656 -6.119 0.796 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.874 -4.428 2.344 1.00 0.00 H new ATOM 556 N PRO A 34 -3.854 -3.519 -1.900 1.00 0.00 N ATOM 557 CA PRO A 34 -3.191 -3.418 -3.203 1.00 0.00 C ATOM 558 C PRO A 34 -1.798 -4.039 -3.195 1.00 0.00 C ATOM 559 O PRO A 34 -1.079 -3.990 -4.194 1.00 0.00 O ATOM 560 CB PRO A 34 -3.101 -1.908 -3.440 1.00 0.00 C ATOM 561 CG PRO A 34 -3.117 -1.309 -2.076 1.00 0.00 C ATOM 562 CD PRO A 34 -3.982 -2.209 -1.238 1.00 0.00 C ATOM 0 HA PRO A 34 -3.737 -3.954 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.190 -1.645 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.938 -1.551 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.109 -1.245 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.517 -0.295 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.640 -2.246 -0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.017 -1.868 -1.219 1.00 0.00 H new ATOM 570 N LEU A 35 -1.423 -4.623 -2.062 1.00 0.00 N ATOM 571 CA LEU A 35 -0.115 -5.256 -1.924 1.00 0.00 C ATOM 572 C LEU A 35 -0.259 -6.725 -1.541 1.00 0.00 C ATOM 573 O LEU A 35 0.676 -7.337 -1.024 1.00 0.00 O ATOM 574 CB LEU A 35 0.719 -4.521 -0.873 1.00 0.00 C ATOM 575 CG LEU A 35 1.121 -3.087 -1.218 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.454 -2.308 0.045 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.302 -3.079 -2.177 1.00 0.00 C ATOM 0 H LEU A 35 -2.005 -4.672 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 35 0.393 -5.200 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.157 -4.505 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.626 -5.097 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 35 0.277 -2.602 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.738 -1.290 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.582 -2.283 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.282 -2.792 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.574 -2.050 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.151 -3.582 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.029 -3.600 -3.095 1.00 0.00 H new ATOM 589 N VAL A 36 -1.435 -7.287 -1.799 1.00 0.00 N ATOM 590 CA VAL A 36 -1.700 -8.685 -1.484 1.00 0.00 C ATOM 591 C VAL A 36 -1.116 -9.064 -0.128 1.00 0.00 C ATOM 592 O VAL A 36 -0.619 -10.175 0.058 1.00 0.00 O ATOM 593 CB VAL A 36 -1.121 -9.622 -2.560 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.675 -9.268 -3.932 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.399 -9.560 -2.558 1.00 0.00 C ATOM 0 H VAL A 36 -2.220 -6.795 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.783 -8.803 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.421 -10.644 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.254 -9.941 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.760 -9.369 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.408 -8.240 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.791 -10.228 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.722 -8.540 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.774 -9.867 -1.582 1.00 0.00 H new ATOM 605 N CYS A 37 -1.179 -8.132 0.818 1.00 0.00 N ATOM 606 CA CYS A 37 -0.657 -8.367 2.159 1.00 0.00 C ATOM 607 C CYS A 37 -1.440 -9.471 2.863 1.00 0.00 C ATOM 608 O CYS A 37 -0.918 -10.153 3.743 1.00 0.00 O ATOM 609 CB CYS A 37 -0.714 -7.079 2.983 1.00 0.00 C ATOM 610 SG CYS A 37 -2.340 -6.752 3.738 1.00 0.00 S ATOM 0 H CYS A 37 -1.586 -7.207 0.680 1.00 0.00 H new ATOM 0 HA CYS A 37 0.381 -8.686 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.037 -7.131 3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.447 -6.238 2.343 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.730 -7.800 4.401 1.00 0.00 H new ATOM 615 N GLY A 38 -2.699 -9.640 2.468 1.00 0.00 N ATOM 616 CA GLY A 38 -3.535 -10.662 3.070 1.00 0.00 C ATOM 617 C GLY A 38 -4.508 -10.091 4.083 1.00 0.00 C ATOM 618 O GLY A 38 -4.673 -10.640 5.172 1.00 0.00 O ATOM 0 H GLY A 38 -3.154 -9.087 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.091 -11.180 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.903 -11.405 3.556 1.00 0.00 H new ATOM 622 N ALA A 39 -5.153 -8.986 3.724 1.00 0.00 N ATOM 623 CA ALA A 39 -6.115 -8.342 4.609 1.00 0.00 C ATOM 624 C ALA A 39 -7.160 -7.567 3.813 1.00 0.00 C ATOM 625 O ALA A 39 -6.823 -6.728 2.978 1.00 0.00 O ATOM 626 CB ALA A 39 -5.399 -7.418 5.583 1.00 0.00 C ATOM 0 H ALA A 39 -5.027 -8.518 2.826 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.629 -9.120 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.129 -6.943 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.695 -7.996 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.858 -6.652 5.027 1.00 0.00 H new ATOM 632 N VAL A 40 -8.431 -7.854 4.077 1.00 0.00 N ATOM 633 CA VAL A 40 -9.526 -7.184 3.385 1.00 0.00 C ATOM 634 C VAL A 40 -10.086 -6.040 4.222 1.00 0.00 C ATOM 635 O VAL A 40 -10.604 -6.254 5.319 1.00 0.00 O ATOM 636 CB VAL A 40 -10.664 -8.167 3.052 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.784 -7.454 2.310 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.135 -9.338 2.238 1.00 0.00 C ATOM 0 H VAL A 40 -8.728 -8.546 4.765 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.117 -6.785 2.457 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.069 -8.557 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.579 -8.164 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.180 -6.652 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.396 -7.034 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.952 -10.023 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.703 -8.969 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.370 -9.863 2.810 1.00 0.00 H new ATOM 648 N PHE A 41 -9.979 -4.823 3.698 1.00 0.00 N ATOM 649 CA PHE A 41 -10.475 -3.643 4.397 1.00 0.00 C ATOM 650 C PHE A 41 -11.272 -2.748 3.454 1.00 0.00 C ATOM 651 O PHE A 41 -11.290 -2.963 2.242 1.00 0.00 O ATOM 652 CB PHE A 41 -9.311 -2.857 5.003 1.00 0.00 C ATOM 653 CG PHE A 41 -8.055 -2.915 4.181 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.838 -2.004 3.160 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.093 -3.880 4.428 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.684 -2.056 2.401 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.936 -3.937 3.673 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.732 -3.022 2.658 1.00 0.00 C ATOM 0 H PHE A 41 -9.553 -4.628 2.792 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.135 -3.976 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.610 -1.816 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.101 -3.245 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.578 -1.245 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.248 -4.597 5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.527 -1.341 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.194 -4.695 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.829 -3.063 2.067 1.00 0.00 H new ATOM 668 N HIS A 42 -11.932 -1.742 4.020 1.00 0.00 N ATOM 669 CA HIS A 42 -12.732 -0.812 3.230 1.00 0.00 C ATOM 670 C HIS A 42 -11.839 0.161 2.467 1.00 0.00 C ATOM 671 O HIS A 42 -10.901 0.728 3.028 1.00 0.00 O ATOM 672 CB HIS A 42 -13.694 -0.039 4.134 1.00 0.00 C ATOM 673 CG HIS A 42 -14.889 -0.836 4.557 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.026 -0.954 3.785 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.121 -1.558 5.678 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.906 -1.713 4.415 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.380 -2.092 5.566 1.00 0.00 N ATOM 0 H HIS A 42 -11.929 -1.550 5.022 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.309 -1.390 2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.157 0.294 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.031 0.856 3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.166 -0.523 2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.441 -1.689 6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.888 -1.978 4.051 1.00 0.00 H new ATOM 685 N SER A 43 -12.136 0.349 1.185 1.00 0.00 N ATOM 686 CA SER A 43 -11.357 1.250 0.344 1.00 0.00 C ATOM 687 C SER A 43 -10.976 2.513 1.109 1.00 0.00 C ATOM 688 O SER A 43 -9.845 2.992 1.016 1.00 0.00 O ATOM 689 CB SER A 43 -12.148 1.620 -0.913 1.00 0.00 C ATOM 690 OG SER A 43 -11.801 2.915 -1.371 1.00 0.00 O ATOM 0 H SER A 43 -12.910 -0.111 0.706 1.00 0.00 H new ATOM 0 HA SER A 43 -10.443 0.734 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.953 0.889 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.216 1.581 -0.699 1.00 0.00 H new ATOM 0 HG SER A 43 -12.319 3.127 -2.176 1.00 0.00 H new ATOM 696 N CYS A 44 -11.928 3.049 1.866 1.00 0.00 N ATOM 697 CA CYS A 44 -11.694 4.257 2.647 1.00 0.00 C ATOM 698 C CYS A 44 -10.612 4.025 3.698 1.00 0.00 C ATOM 699 O CYS A 44 -9.770 4.890 3.941 1.00 0.00 O ATOM 700 CB CYS A 44 -12.989 4.710 3.325 1.00 0.00 C ATOM 701 SG CYS A 44 -13.457 3.712 4.775 1.00 0.00 S ATOM 0 H CYS A 44 -12.869 2.665 1.955 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.354 5.038 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.881 5.750 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.799 4.676 2.597 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.585 3.110 4.542 1.00 0.00 H new ATOM 706 N LYS A 45 -10.639 2.850 4.317 1.00 0.00 N ATOM 707 CA LYS A 45 -9.661 2.501 5.341 1.00 0.00 C ATOM 708 C LYS A 45 -8.286 2.270 4.722 1.00 0.00 C ATOM 709 O LYS A 45 -7.263 2.603 5.320 1.00 0.00 O ATOM 710 CB LYS A 45 -10.108 1.248 6.097 1.00 0.00 C ATOM 711 CG LYS A 45 -11.423 1.422 6.838 1.00 0.00 C ATOM 712 CD LYS A 45 -11.280 2.380 8.009 1.00 0.00 C ATOM 713 CE LYS A 45 -12.580 3.118 8.287 1.00 0.00 C ATOM 714 NZ LYS A 45 -12.337 4.483 8.831 1.00 0.00 N ATOM 0 H LYS A 45 -11.328 2.122 4.127 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.591 3.334 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.205 0.423 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.333 0.968 6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.182 1.796 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.769 0.454 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.977 1.827 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.490 3.100 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.160 3.192 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.178 2.546 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.137 5.101 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.240 4.432 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.464 4.870 8.420 1.00 0.00 H new ATOM 728 N ALA A 46 -8.270 1.700 3.522 1.00 0.00 N ATOM 729 CA ALA A 46 -7.020 1.429 2.822 1.00 0.00 C ATOM 730 C ALA A 46 -5.997 2.530 3.078 1.00 0.00 C ATOM 731 O ALA A 46 -4.865 2.258 3.478 1.00 0.00 O ATOM 732 CB ALA A 46 -7.274 1.279 1.329 1.00 0.00 C ATOM 0 H ALA A 46 -9.108 1.417 3.014 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.612 0.494 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.333 1.077 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.964 0.453 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.708 2.200 0.939 1.00 0.00 H new ATOM 738 N ASP A 47 -6.402 3.774 2.845 1.00 0.00 N ATOM 739 CA ASP A 47 -5.520 4.916 3.051 1.00 0.00 C ATOM 740 C ASP A 47 -4.759 4.785 4.367 1.00 0.00 C ATOM 741 O ASP A 47 -3.534 4.899 4.400 1.00 0.00 O ATOM 742 CB ASP A 47 -6.324 6.217 3.040 1.00 0.00 C ATOM 743 CG ASP A 47 -6.728 6.637 1.640 1.00 0.00 C ATOM 744 OD1 ASP A 47 -7.092 5.752 0.837 1.00 0.00 O ATOM 745 OD2 ASP A 47 -6.680 7.850 1.348 1.00 0.00 O ATOM 0 H ASP A 47 -7.336 4.017 2.513 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.798 4.937 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.218 6.093 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.732 7.010 3.497 1.00 0.00 H new ATOM 750 N GLU A 48 -5.494 4.547 5.449 1.00 0.00 N ATOM 751 CA GLU A 48 -4.888 4.402 6.767 1.00 0.00 C ATOM 752 C GLU A 48 -4.168 3.062 6.891 1.00 0.00 C ATOM 753 O GLU A 48 -3.004 3.005 7.289 1.00 0.00 O ATOM 754 CB GLU A 48 -5.953 4.525 7.859 1.00 0.00 C ATOM 755 CG GLU A 48 -6.614 5.892 7.913 1.00 0.00 C ATOM 756 CD GLU A 48 -5.876 6.861 8.815 1.00 0.00 C ATOM 757 OE1 GLU A 48 -5.665 6.528 10.000 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.508 7.954 8.335 1.00 0.00 O ATOM 0 H GLU A 48 -6.509 4.451 5.439 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.156 5.200 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.719 3.767 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.496 4.313 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.666 6.306 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.639 5.782 8.266 1.00 0.00 H new ATOM 765 N HIS A 49 -4.869 1.987 6.547 1.00 0.00 N ATOM 766 CA HIS A 49 -4.298 0.647 6.620 1.00 0.00 C ATOM 767 C HIS A 49 -2.878 0.630 6.062 1.00 0.00 C ATOM 768 O HIS A 49 -1.938 0.219 6.743 1.00 0.00 O ATOM 769 CB HIS A 49 -5.172 -0.345 5.851 1.00 0.00 C ATOM 770 CG HIS A 49 -4.501 -1.660 5.594 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.568 -2.723 6.470 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.749 -2.081 4.550 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.884 -3.740 5.977 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.378 -3.376 4.812 1.00 0.00 N ATOM 0 H HIS A 49 -5.833 2.017 6.215 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.261 0.351 7.668 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.090 -0.518 6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.460 0.099 4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.489 -1.505 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.760 -4.705 6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.805 -3.962 4.206 1.00 0.00 H new ATOM 782 N ARG A 50 -2.730 1.079 4.820 1.00 0.00 N ATOM 783 CA ARG A 50 -1.425 1.114 4.171 1.00 0.00 C ATOM 784 C ARG A 50 -0.336 1.515 5.161 1.00 0.00 C ATOM 785 O ARG A 50 0.728 0.895 5.215 1.00 0.00 O ATOM 786 CB ARG A 50 -1.444 2.092 2.994 1.00 0.00 C ATOM 787 CG ARG A 50 -1.988 1.488 1.710 1.00 0.00 C ATOM 788 CD ARG A 50 -1.587 2.310 0.495 1.00 0.00 C ATOM 789 NE ARG A 50 -2.514 2.128 -0.619 1.00 0.00 N ATOM 790 CZ ARG A 50 -2.372 2.724 -1.798 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.346 3.535 -2.015 1.00 0.00 N ATOM 792 NH2 ARG A 50 -3.258 2.509 -2.762 1.00 0.00 N ATOM 0 H ARG A 50 -3.497 1.423 4.243 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.204 0.113 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.048 2.959 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.431 2.452 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.617 0.469 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.075 1.427 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.550 3.365 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.583 2.026 0.181 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.314 1.510 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.663 3.703 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.239 3.991 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.049 1.886 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.148 2.967 -3.667 1.00 0.00 H new ATOM 806 N LEU A 51 -0.607 2.553 5.944 1.00 0.00 N ATOM 807 CA LEU A 51 0.350 3.037 6.933 1.00 0.00 C ATOM 808 C LEU A 51 0.823 1.901 7.834 1.00 0.00 C ATOM 809 O LEU A 51 2.012 1.785 8.133 1.00 0.00 O ATOM 810 CB LEU A 51 -0.278 4.146 7.779 1.00 0.00 C ATOM 811 CG LEU A 51 -0.680 5.416 7.028 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.540 6.308 7.910 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.555 6.167 6.550 1.00 0.00 C ATOM 0 H LEU A 51 -1.482 3.076 5.913 1.00 0.00 H new ATOM 0 HA LEU A 51 1.213 3.438 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.163 3.743 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.427 4.420 8.564 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.266 5.129 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.816 7.207 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.442 5.770 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.979 6.587 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.250 7.068 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.168 6.443 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.133 5.529 5.881 1.00 0.00 H new ATOM 825 N LEU A 52 -0.115 1.063 8.262 1.00 0.00 N ATOM 826 CA LEU A 52 0.206 -0.067 9.128 1.00 0.00 C ATOM 827 C LEU A 52 0.745 -1.239 8.315 1.00 0.00 C ATOM 828 O LEU A 52 1.812 -1.777 8.613 1.00 0.00 O ATOM 829 CB LEU A 52 -1.033 -0.502 9.912 1.00 0.00 C ATOM 830 CG LEU A 52 -1.914 0.625 10.454 1.00 0.00 C ATOM 831 CD1 LEU A 52 -3.107 0.055 11.206 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.106 1.547 11.354 1.00 0.00 C ATOM 0 H LEU A 52 -1.103 1.144 8.024 1.00 0.00 H new ATOM 0 HA LEU A 52 0.978 0.251 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.643 -1.135 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.710 -1.119 10.751 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.286 1.207 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.722 0.871 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.700 -0.564 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.755 -0.551 12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.749 2.343 11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.705 0.977 12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.285 1.983 10.785 1.00 0.00 H new ATOM 844 N CYS A 53 0.002 -1.631 7.286 1.00 0.00 N ATOM 845 CA CYS A 53 0.405 -2.739 6.428 1.00 0.00 C ATOM 846 C CYS A 53 1.924 -2.806 6.305 1.00 0.00 C ATOM 847 O CYS A 53 2.596 -1.808 6.047 1.00 0.00 O ATOM 848 CB CYS A 53 -0.224 -2.592 5.041 1.00 0.00 C ATOM 849 SG CYS A 53 0.065 -4.014 3.940 1.00 0.00 S ATOM 0 H CYS A 53 -0.884 -1.197 7.026 1.00 0.00 H new ATOM 0 HA CYS A 53 0.053 -3.665 6.883 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.298 -2.446 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.171 -1.693 4.568 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.933 -4.842 4.029 1.00 0.00 H new ATOM 854 N PRO A 54 2.480 -4.013 6.495 1.00 0.00 N ATOM 855 CA PRO A 54 3.925 -4.240 6.409 1.00 0.00 C ATOM 856 C PRO A 54 4.449 -4.115 4.983 1.00 0.00 C ATOM 857 O PRO A 54 5.587 -3.699 4.763 1.00 0.00 O ATOM 858 CB PRO A 54 4.088 -5.676 6.914 1.00 0.00 C ATOM 859 CG PRO A 54 2.775 -6.325 6.642 1.00 0.00 C ATOM 860 CD PRO A 54 1.739 -5.247 6.806 1.00 0.00 C ATOM 0 HA PRO A 54 4.488 -3.504 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.898 -6.189 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.327 -5.697 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.747 -6.743 5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.595 -7.148 7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.897 -5.392 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.334 -5.229 7.818 1.00 0.00 H new ATOM 868 N PHE A 55 3.611 -4.476 4.016 1.00 0.00 N ATOM 869 CA PHE A 55 3.990 -4.403 2.610 1.00 0.00 C ATOM 870 C PHE A 55 4.321 -2.969 2.209 1.00 0.00 C ATOM 871 O PHE A 55 5.235 -2.729 1.420 1.00 0.00 O ATOM 872 CB PHE A 55 2.864 -4.945 1.727 1.00 0.00 C ATOM 873 CG PHE A 55 2.882 -6.440 1.582 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.692 -7.258 2.683 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.088 -7.026 0.344 1.00 0.00 C ATOM 876 CE1 PHE A 55 2.709 -8.634 2.552 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.106 -8.401 0.206 1.00 0.00 C ATOM 878 CZ PHE A 55 2.915 -9.206 1.312 1.00 0.00 C ATOM 0 H PHE A 55 2.666 -4.822 4.181 1.00 0.00 H new ATOM 0 HA PHE A 55 4.880 -5.016 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.905 -4.640 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.938 -4.491 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.529 -6.816 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.236 -6.401 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.561 -9.261 3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.269 -8.845 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.927 -10.281 1.207 1.00 0.00 H new ATOM 888 N GLU A 56 3.570 -2.019 2.757 1.00 0.00 N ATOM 889 CA GLU A 56 3.782 -0.608 2.455 1.00 0.00 C ATOM 890 C GLU A 56 5.271 -0.297 2.329 1.00 0.00 C ATOM 891 O GLU A 56 6.070 -0.681 3.183 1.00 0.00 O ATOM 892 CB GLU A 56 3.156 0.268 3.542 1.00 0.00 C ATOM 893 CG GLU A 56 2.932 1.708 3.109 1.00 0.00 C ATOM 894 CD GLU A 56 3.007 2.684 4.267 1.00 0.00 C ATOM 895 OE1 GLU A 56 2.818 2.250 5.422 1.00 0.00 O ATOM 896 OE2 GLU A 56 3.255 3.882 4.017 1.00 0.00 O ATOM 0 H GLU A 56 2.810 -2.201 3.412 1.00 0.00 H new ATOM 0 HA GLU A 56 3.301 -0.390 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.202 -0.165 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.800 0.258 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.678 1.979 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.956 1.792 2.631 1.00 0.00 H new ATOM 903 N ARG A 57 5.635 0.401 1.259 1.00 0.00 N ATOM 904 CA ARG A 57 7.027 0.762 1.020 1.00 0.00 C ATOM 905 C ARG A 57 7.574 1.608 2.166 1.00 0.00 C ATOM 906 O ARG A 57 7.015 2.651 2.504 1.00 0.00 O ATOM 907 CB ARG A 57 7.158 1.527 -0.299 1.00 0.00 C ATOM 908 CG ARG A 57 8.527 2.155 -0.505 1.00 0.00 C ATOM 909 CD ARG A 57 8.438 3.419 -1.346 1.00 0.00 C ATOM 910 NE ARG A 57 8.249 3.121 -2.763 1.00 0.00 N ATOM 911 CZ ARG A 57 8.017 4.050 -3.685 1.00 0.00 C ATOM 912 NH1 ARG A 57 7.947 5.328 -3.339 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.856 3.700 -4.954 1.00 0.00 N ATOM 0 H ARG A 57 4.986 0.728 0.544 1.00 0.00 H new ATOM 0 HA ARG A 57 7.609 -0.157 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.951 0.847 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.400 2.309 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.970 2.391 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.188 1.438 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.610 4.033 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.348 4.005 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 57 8.298 2.147 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.071 5.600 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.769 6.039 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.910 2.718 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.678 4.413 -5.661 1.00 0.00 H new ATOM 927 N VAL A 58 8.670 1.149 2.763 1.00 0.00 N ATOM 928 CA VAL A 58 9.293 1.863 3.871 1.00 0.00 C ATOM 929 C VAL A 58 10.805 1.943 3.693 1.00 0.00 C ATOM 930 O VAL A 58 11.439 1.040 3.145 1.00 0.00 O ATOM 931 CB VAL A 58 8.981 1.187 5.219 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.479 1.032 5.405 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.680 -0.161 5.314 1.00 0.00 C ATOM 0 H VAL A 58 9.144 0.286 2.498 1.00 0.00 H new ATOM 0 HA VAL A 58 8.877 2.870 3.873 1.00 0.00 H new ATOM 0 HB VAL A 58 9.358 1.823 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.279 0.552 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.007 2.014 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.074 0.418 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.448 -0.624 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.336 -0.807 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.757 -0.019 5.231 1.00 0.00 H new ATOM 943 N PRO A 59 11.399 3.049 4.166 1.00 0.00 N ATOM 944 CA PRO A 59 12.844 3.273 4.071 1.00 0.00 C ATOM 945 C PRO A 59 13.636 2.340 4.981 1.00 0.00 C ATOM 946 O PRO A 59 13.191 2.000 6.077 1.00 0.00 O ATOM 947 CB PRO A 59 13.008 4.726 4.522 1.00 0.00 C ATOM 948 CG PRO A 59 11.829 4.987 5.396 1.00 0.00 C ATOM 949 CD PRO A 59 10.704 4.165 4.829 1.00 0.00 C ATOM 0 HA PRO A 59 13.222 3.079 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.942 4.869 5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.027 5.405 3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.038 4.704 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.574 6.047 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.031 3.812 5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.102 4.739 4.125 1.00 0.00 H new ATOM 957 N CYS A 60 14.813 1.930 4.519 1.00 0.00 N ATOM 958 CA CYS A 60 15.668 1.036 5.291 1.00 0.00 C ATOM 959 C CYS A 60 15.783 1.508 6.737 1.00 0.00 C ATOM 960 O CYS A 60 16.047 2.682 7.000 1.00 0.00 O ATOM 961 CB CYS A 60 17.058 0.954 4.658 1.00 0.00 C ATOM 962 SG CYS A 60 18.337 0.265 5.758 1.00 0.00 S ATOM 0 H CYS A 60 15.196 2.203 3.614 1.00 0.00 H new ATOM 0 HA CYS A 60 15.214 0.045 5.286 1.00 0.00 H new ATOM 0 HB2 CYS A 60 17.000 0.342 3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.363 1.953 4.345 1.00 0.00 H new ATOM 0 HG CYS A 60 19.445 0.927 5.604 1.00 0.00 H new ATOM 967 N LEU A 61 15.584 0.585 7.672 1.00 0.00 N ATOM 968 CA LEU A 61 15.665 0.906 9.093 1.00 0.00 C ATOM 969 C LEU A 61 16.751 1.945 9.356 1.00 0.00 C ATOM 970 O LEU A 61 16.548 2.890 10.116 1.00 0.00 O ATOM 971 CB LEU A 61 15.947 -0.359 9.906 1.00 0.00 C ATOM 972 CG LEU A 61 14.720 -1.133 10.389 1.00 0.00 C ATOM 973 CD1 LEU A 61 15.140 -2.412 11.097 1.00 0.00 C ATOM 974 CD2 LEU A 61 13.871 -0.267 11.308 1.00 0.00 C ATOM 0 H LEU A 61 15.366 -0.391 7.472 1.00 0.00 H new ATOM 0 HA LEU A 61 14.706 1.323 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.558 -1.028 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.543 -0.083 10.776 1.00 0.00 H new ATOM 0 HG LEU A 61 14.120 -1.403 9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.253 -2.949 11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.705 -3.040 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.762 -2.164 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.002 -0.834 11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.462 0.034 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.540 0.620 10.768 1.00 0.00 H new ATOM 986 N ASN A 62 17.903 1.763 8.719 1.00 0.00 N ATOM 987 CA ASN A 62 19.020 2.686 8.882 1.00 0.00 C ATOM 988 C ASN A 62 19.014 3.747 7.787 1.00 0.00 C ATOM 989 O ASN A 62 20.052 4.056 7.201 1.00 0.00 O ATOM 990 CB ASN A 62 20.346 1.923 8.861 1.00 0.00 C ATOM 991 CG ASN A 62 20.247 0.572 9.543 1.00 0.00 C ATOM 992 OD1 ASN A 62 20.330 0.475 10.767 1.00 0.00 O ATOM 993 ND2 ASN A 62 20.070 -0.479 8.751 1.00 0.00 N ATOM 0 H ASN A 62 18.087 0.985 8.085 1.00 0.00 H new ATOM 0 HA ASN A 62 18.910 3.184 9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.665 1.783 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 62 21.113 2.520 9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.997 -1.414 9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 62 20.007 -0.352 7.741 1.00 0.00 H new ATOM 1000 N SER A 63 17.837 4.303 7.516 1.00 0.00 N ATOM 1001 CA SER A 63 17.694 5.328 6.488 1.00 0.00 C ATOM 1002 C SER A 63 18.389 6.619 6.909 1.00 0.00 C ATOM 1003 O SER A 63 18.884 7.373 6.070 1.00 0.00 O ATOM 1004 CB SER A 63 16.214 5.599 6.211 1.00 0.00 C ATOM 1005 OG SER A 63 16.056 6.559 5.180 1.00 0.00 O ATOM 0 H SER A 63 16.969 4.061 7.994 1.00 0.00 H new ATOM 0 HA SER A 63 18.166 4.962 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.718 4.671 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.730 5.954 7.121 1.00 0.00 H new ATOM 0 HG SER A 63 15.102 6.714 5.021 1.00 0.00 H new ATOM 1011 N ASP A 64 18.423 6.868 8.213 1.00 0.00 N ATOM 1012 CA ASP A 64 19.058 8.067 8.747 1.00 0.00 C ATOM 1013 C ASP A 64 20.401 8.319 8.069 1.00 0.00 C ATOM 1014 O ASP A 64 20.649 9.405 7.545 1.00 0.00 O ATOM 1015 CB ASP A 64 19.253 7.937 10.259 1.00 0.00 C ATOM 1016 CG ASP A 64 17.973 7.554 10.977 1.00 0.00 C ATOM 1017 OD1 ASP A 64 17.573 6.375 10.888 1.00 0.00 O ATOM 1018 OD2 ASP A 64 17.372 8.435 11.627 1.00 0.00 O ATOM 0 H ASP A 64 18.018 6.255 8.921 1.00 0.00 H new ATOM 0 HA ASP A 64 18.404 8.915 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 64 20.018 7.187 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 64 19.621 8.882 10.658 1.00 0.00 H new ATOM 1023 N PHE A 65 21.264 7.309 8.083 1.00 0.00 N ATOM 1024 CA PHE A 65 22.582 7.421 7.471 1.00 0.00 C ATOM 1025 C PHE A 65 22.470 7.865 6.015 1.00 0.00 C ATOM 1026 O PHE A 65 23.252 8.690 5.544 1.00 0.00 O ATOM 1027 CB PHE A 65 23.322 6.084 7.552 1.00 0.00 C ATOM 1028 CG PHE A 65 23.647 5.664 8.957 1.00 0.00 C ATOM 1029 CD1 PHE A 65 24.753 6.183 9.611 1.00 0.00 C ATOM 1030 CD2 PHE A 65 22.846 4.751 9.624 1.00 0.00 C ATOM 1031 CE1 PHE A 65 25.055 5.797 10.903 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.143 4.362 10.917 1.00 0.00 C ATOM 1033 CZ PHE A 65 24.248 4.886 11.558 1.00 0.00 C ATOM 0 H PHE A 65 21.074 6.403 8.512 1.00 0.00 H new ATOM 0 HA PHE A 65 23.146 8.174 8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 65 22.713 5.312 7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 65 24.247 6.154 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 65 25.386 6.897 9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 65 21.980 4.339 9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 65 25.921 6.207 11.401 1.00 0.00 H new ATOM 0 HE2 PHE A 65 22.511 3.649 11.425 1.00 0.00 H new ATOM 0 HZ PHE A 65 24.481 4.585 12.569 1.00 0.00 H new ATOM 1043 N GLY A 66 21.491 7.311 5.307 1.00 0.00 N ATOM 1044 CA GLY A 66 21.294 7.660 3.913 1.00 0.00 C ATOM 1045 C GLY A 66 21.269 6.444 3.008 1.00 0.00 C ATOM 1046 O GLY A 66 22.028 6.364 2.042 1.00 0.00 O ATOM 0 H GLY A 66 20.830 6.626 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.357 8.207 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.092 8.330 3.593 1.00 0.00 H new ATOM 1050 N CYS A 67 20.395 5.493 3.321 1.00 0.00 N ATOM 1051 CA CYS A 67 20.276 4.274 2.532 1.00 0.00 C ATOM 1052 C CYS A 67 19.227 4.437 1.435 1.00 0.00 C ATOM 1053 O CYS A 67 18.027 4.522 1.697 1.00 0.00 O ATOM 1054 CB CYS A 67 19.909 3.092 3.432 1.00 0.00 C ATOM 1055 SG CYS A 67 20.536 1.486 2.843 1.00 0.00 S ATOM 0 H CYS A 67 19.759 5.544 4.116 1.00 0.00 H new ATOM 0 HA CYS A 67 21.240 4.079 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.298 3.277 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.824 3.037 3.517 1.00 0.00 H new ATOM 0 HG CYS A 67 20.836 0.737 3.862 1.00 0.00 H new ATOM 1060 N PRO A 68 19.689 4.481 0.177 1.00 0.00 N ATOM 1061 CA PRO A 68 18.808 4.633 -0.985 1.00 0.00 C ATOM 1062 C PRO A 68 17.960 3.391 -1.236 1.00 0.00 C ATOM 1063 O PRO A 68 17.212 3.324 -2.212 1.00 0.00 O ATOM 1064 CB PRO A 68 19.783 4.858 -2.143 1.00 0.00 C ATOM 1065 CG PRO A 68 21.050 4.211 -1.702 1.00 0.00 C ATOM 1066 CD PRO A 68 21.107 4.386 -0.209 1.00 0.00 C ATOM 0 HA PRO A 68 18.092 5.443 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.411 4.413 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.928 5.921 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.063 3.155 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.912 4.674 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.600 3.543 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.660 5.283 0.070 1.00 0.00 H new ATOM 1074 N PHE A 69 18.080 2.409 -0.349 1.00 0.00 N ATOM 1075 CA PHE A 69 17.325 1.168 -0.475 1.00 0.00 C ATOM 1076 C PHE A 69 16.002 1.257 0.281 1.00 0.00 C ATOM 1077 O PHE A 69 15.979 1.471 1.493 1.00 0.00 O ATOM 1078 CB PHE A 69 18.147 -0.010 0.051 1.00 0.00 C ATOM 1079 CG PHE A 69 19.257 -0.426 -0.872 1.00 0.00 C ATOM 1080 CD1 PHE A 69 19.030 -1.350 -1.879 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.528 0.109 -0.733 1.00 0.00 C ATOM 1082 CE1 PHE A 69 20.050 -1.734 -2.728 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.552 -0.272 -1.580 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.312 -1.193 -2.580 1.00 0.00 C ATOM 0 H PHE A 69 18.693 2.449 0.465 1.00 0.00 H new ATOM 0 HA PHE A 69 17.110 1.009 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.571 0.257 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.485 -0.860 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 69 18.045 -1.775 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.721 0.832 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 69 19.860 -2.457 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.539 0.150 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.109 -1.490 -3.245 1.00 0.00 H new ATOM 1094 N THR A 70 14.901 1.092 -0.445 1.00 0.00 N ATOM 1095 CA THR A 70 13.574 1.155 0.155 1.00 0.00 C ATOM 1096 C THR A 70 12.755 -0.083 -0.189 1.00 0.00 C ATOM 1097 O THR A 70 12.701 -0.501 -1.346 1.00 0.00 O ATOM 1098 CB THR A 70 12.807 2.409 -0.308 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.906 2.546 -1.729 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.355 3.658 0.367 1.00 0.00 C ATOM 0 H THR A 70 14.902 0.914 -1.449 1.00 0.00 H new ATOM 0 HA THR A 70 13.718 1.203 1.234 1.00 0.00 H new ATOM 0 HB THR A 70 11.760 2.293 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.415 3.344 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.798 4.530 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.252 3.563 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.408 3.777 0.112 1.00 0.00 H new ATOM 1108 N MET A 71 12.119 -0.666 0.821 1.00 0.00 N ATOM 1109 CA MET A 71 11.300 -1.857 0.624 1.00 0.00 C ATOM 1110 C MET A 71 10.269 -2.000 1.739 1.00 0.00 C ATOM 1111 O MET A 71 10.212 -1.177 2.652 1.00 0.00 O ATOM 1112 CB MET A 71 12.183 -3.105 0.567 1.00 0.00 C ATOM 1113 CG MET A 71 13.202 -3.180 1.692 1.00 0.00 C ATOM 1114 SD MET A 71 14.769 -2.398 1.264 1.00 0.00 S ATOM 1115 CE MET A 71 14.877 -1.138 2.532 1.00 0.00 C ATOM 0 H MET A 71 12.155 -0.333 1.785 1.00 0.00 H new ATOM 0 HA MET A 71 10.771 -1.751 -0.323 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.549 -3.991 0.603 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.707 -3.126 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.792 -2.700 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.380 -4.225 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.779 -0.545 2.380 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.002 -0.490 2.476 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.916 -1.611 3.513 1.00 0.00 H new ATOM 1125 N ALA A 72 9.457 -3.048 1.657 1.00 0.00 N ATOM 1126 CA ALA A 72 8.430 -3.299 2.661 1.00 0.00 C ATOM 1127 C ALA A 72 9.048 -3.506 4.039 1.00 0.00 C ATOM 1128 O ALA A 72 10.218 -3.870 4.157 1.00 0.00 O ATOM 1129 CB ALA A 72 7.593 -4.507 2.269 1.00 0.00 C ATOM 0 H ALA A 72 9.490 -3.737 0.906 1.00 0.00 H new ATOM 0 HA ALA A 72 7.783 -2.423 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.830 -4.683 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.113 -4.321 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.235 -5.384 2.190 1.00 0.00 H new ATOM 1135 N ARG A 73 8.255 -3.271 5.080 1.00 0.00 N ATOM 1136 CA ARG A 73 8.726 -3.430 6.450 1.00 0.00 C ATOM 1137 C ARG A 73 9.094 -4.884 6.733 1.00 0.00 C ATOM 1138 O ARG A 73 10.048 -5.163 7.458 1.00 0.00 O ATOM 1139 CB ARG A 73 7.654 -2.963 7.437 1.00 0.00 C ATOM 1140 CG ARG A 73 7.688 -1.468 7.710 1.00 0.00 C ATOM 1141 CD ARG A 73 8.791 -1.105 8.692 1.00 0.00 C ATOM 1142 NE ARG A 73 9.246 0.272 8.519 1.00 0.00 N ATOM 1143 CZ ARG A 73 8.508 1.334 8.827 1.00 0.00 C ATOM 1144 NH1 ARG A 73 7.288 1.176 9.320 1.00 0.00 N ATOM 1145 NH2 ARG A 73 8.992 2.555 8.642 1.00 0.00 N ATOM 0 H ARG A 73 7.284 -2.970 5.000 1.00 0.00 H new ATOM 0 HA ARG A 73 9.618 -2.816 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.672 -3.230 7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.780 -3.499 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.841 -0.930 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.725 -1.148 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.429 -1.242 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.633 -1.784 8.559 1.00 0.00 H new ATOM 0 HE ARG A 73 10.181 0.427 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.914 0.238 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.724 1.992 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.931 2.679 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.425 3.369 8.878 1.00 0.00 H new ATOM 1159 N ASN A 74 8.329 -5.805 6.157 1.00 0.00 N ATOM 1160 CA ASN A 74 8.574 -7.230 6.348 1.00 0.00 C ATOM 1161 C ASN A 74 9.650 -7.731 5.389 1.00 0.00 C ATOM 1162 O ASN A 74 9.908 -8.931 5.299 1.00 0.00 O ATOM 1163 CB ASN A 74 7.282 -8.024 6.142 1.00 0.00 C ATOM 1164 CG ASN A 74 7.066 -8.410 4.691 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.354 -9.537 4.288 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.557 -7.473 3.900 1.00 0.00 N ATOM 0 H ASN A 74 7.535 -5.591 5.554 1.00 0.00 H new ATOM 0 HA ASN A 74 8.925 -7.378 7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.311 -8.925 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.435 -7.431 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.389 -7.674 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.333 -6.552 4.278 1.00 0.00 H new ATOM 1173 N LYS A 75 10.276 -6.802 4.674 1.00 0.00 N ATOM 1174 CA LYS A 75 11.325 -7.147 3.722 1.00 0.00 C ATOM 1175 C LYS A 75 12.666 -6.565 4.157 1.00 0.00 C ATOM 1176 O LYS A 75 13.718 -7.162 3.925 1.00 0.00 O ATOM 1177 CB LYS A 75 10.964 -6.635 2.326 1.00 0.00 C ATOM 1178 CG LYS A 75 9.711 -7.273 1.750 1.00 0.00 C ATOM 1179 CD LYS A 75 9.988 -8.673 1.228 1.00 0.00 C ATOM 1180 CE LYS A 75 10.396 -8.651 -0.237 1.00 0.00 C ATOM 1181 NZ LYS A 75 10.829 -9.994 -0.712 1.00 0.00 N ATOM 0 H LYS A 75 10.075 -5.804 4.736 1.00 0.00 H new ATOM 0 HA LYS A 75 11.412 -8.233 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.825 -5.555 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.800 -6.822 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.938 -7.316 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.324 -6.652 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.779 -9.133 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.098 -9.291 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.558 -8.304 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.208 -7.937 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.099 -9.937 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.644 -10.314 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.046 -10.670 -0.602 1.00 0.00 H new ATOM 1195 N VAL A 76 12.622 -5.396 4.789 1.00 0.00 N ATOM 1196 CA VAL A 76 13.834 -4.735 5.259 1.00 0.00 C ATOM 1197 C VAL A 76 14.721 -5.701 6.036 1.00 0.00 C ATOM 1198 O VAL A 76 15.926 -5.485 6.167 1.00 0.00 O ATOM 1199 CB VAL A 76 13.502 -3.526 6.154 1.00 0.00 C ATOM 1200 CG1 VAL A 76 12.542 -2.583 5.445 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.924 -3.990 7.482 1.00 0.00 C ATOM 0 H VAL A 76 11.760 -4.887 4.987 1.00 0.00 H new ATOM 0 HA VAL A 76 14.369 -4.387 4.375 1.00 0.00 H new ATOM 0 HB VAL A 76 14.424 -2.981 6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.319 -1.735 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.999 -2.224 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.619 -3.113 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.695 -3.123 8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.012 -4.559 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.650 -4.621 7.994 1.00 0.00 H new ATOM 1211 N ALA A 77 14.118 -6.768 6.549 1.00 0.00 N ATOM 1212 CA ALA A 77 14.853 -7.769 7.312 1.00 0.00 C ATOM 1213 C ALA A 77 15.910 -8.449 6.448 1.00 0.00 C ATOM 1214 O ALA A 77 17.003 -8.761 6.920 1.00 0.00 O ATOM 1215 CB ALA A 77 13.896 -8.801 7.889 1.00 0.00 C ATOM 0 H ALA A 77 13.121 -6.962 6.450 1.00 0.00 H new ATOM 0 HA ALA A 77 15.362 -7.264 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.459 -9.542 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.181 -8.307 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.361 -9.295 7.078 1.00 0.00 H new ATOM 1221 N GLU A 78 15.576 -8.676 5.181 1.00 0.00 N ATOM 1222 CA GLU A 78 16.497 -9.321 4.253 1.00 0.00 C ATOM 1223 C GLU A 78 17.561 -8.338 3.771 1.00 0.00 C ATOM 1224 O GLU A 78 18.750 -8.656 3.746 1.00 0.00 O ATOM 1225 CB GLU A 78 15.734 -9.891 3.056 1.00 0.00 C ATOM 1226 CG GLU A 78 16.610 -10.145 1.840 1.00 0.00 C ATOM 1227 CD GLU A 78 16.089 -11.274 0.972 1.00 0.00 C ATOM 1228 OE1 GLU A 78 14.867 -11.311 0.719 1.00 0.00 O ATOM 1229 OE2 GLU A 78 16.903 -12.119 0.546 1.00 0.00 O ATOM 0 H GLU A 78 14.675 -8.423 4.775 1.00 0.00 H new ATOM 0 HA GLU A 78 16.992 -10.136 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.257 -10.826 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.937 -9.200 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.673 -9.234 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.622 -10.382 2.169 1.00 0.00 H new ATOM 1236 N HIS A 79 17.123 -7.143 3.387 1.00 0.00 N ATOM 1237 CA HIS A 79 18.037 -6.113 2.905 1.00 0.00 C ATOM 1238 C HIS A 79 19.069 -5.761 3.971 1.00 0.00 C ATOM 1239 O HIS A 79 20.231 -5.494 3.661 1.00 0.00 O ATOM 1240 CB HIS A 79 17.258 -4.862 2.498 1.00 0.00 C ATOM 1241 CG HIS A 79 18.085 -3.612 2.510 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.067 -3.351 1.578 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.070 -2.549 3.346 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.622 -2.182 1.842 1.00 0.00 C ATOM 1245 NE2 HIS A 79 19.034 -1.674 2.910 1.00 0.00 N ATOM 0 H HIS A 79 16.142 -6.864 3.400 1.00 0.00 H new ATOM 0 HA HIS A 79 18.561 -6.505 2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.849 -5.008 1.498 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.412 -4.735 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.420 -2.414 4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.421 -1.720 1.280 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.259 -0.777 3.341 1.00 0.00 H new ATOM 1253 N LEU A 80 18.639 -5.761 5.228 1.00 0.00 N ATOM 1254 CA LEU A 80 19.526 -5.441 6.340 1.00 0.00 C ATOM 1255 C LEU A 80 20.763 -6.333 6.325 1.00 0.00 C ATOM 1256 O LEU A 80 21.863 -5.890 6.650 1.00 0.00 O ATOM 1257 CB LEU A 80 18.786 -5.598 7.670 1.00 0.00 C ATOM 1258 CG LEU A 80 17.948 -4.399 8.117 1.00 0.00 C ATOM 1259 CD1 LEU A 80 17.094 -4.765 9.321 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.845 -3.212 8.439 1.00 0.00 C ATOM 0 H LEU A 80 17.681 -5.979 5.502 1.00 0.00 H new ATOM 0 HA LEU A 80 19.847 -4.405 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.132 -6.467 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.519 -5.814 8.447 1.00 0.00 H new ATOM 0 HG LEU A 80 17.285 -4.117 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.505 -3.900 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.426 -5.585 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.739 -5.073 10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.232 -2.368 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.532 -3.482 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.414 -2.935 7.552 1.00 0.00 H new ATOM 1272 N GLU A 81 20.573 -7.593 5.944 1.00 0.00 N ATOM 1273 CA GLU A 81 21.674 -8.547 5.886 1.00 0.00 C ATOM 1274 C GLU A 81 22.768 -8.057 4.942 1.00 0.00 C ATOM 1275 O GLU A 81 23.952 -8.086 5.278 1.00 0.00 O ATOM 1276 CB GLU A 81 21.168 -9.917 5.430 1.00 0.00 C ATOM 1277 CG GLU A 81 20.267 -10.601 6.445 1.00 0.00 C ATOM 1278 CD GLU A 81 21.047 -11.396 7.475 1.00 0.00 C ATOM 1279 OE1 GLU A 81 22.152 -10.954 7.854 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.552 -12.460 7.901 1.00 0.00 O ATOM 0 H GLU A 81 19.668 -7.976 5.671 1.00 0.00 H new ATOM 0 HA GLU A 81 22.095 -8.638 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.623 -9.800 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.023 -10.561 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.662 -9.850 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.578 -11.266 5.924 1.00 0.00 H new ATOM 1287 N MET A 82 22.363 -7.608 3.758 1.00 0.00 N ATOM 1288 CA MET A 82 23.309 -7.112 2.765 1.00 0.00 C ATOM 1289 C MET A 82 23.251 -5.590 2.672 1.00 0.00 C ATOM 1290 O MET A 82 23.601 -5.007 1.646 1.00 0.00 O ATOM 1291 CB MET A 82 23.015 -7.730 1.396 1.00 0.00 C ATOM 1292 CG MET A 82 21.652 -7.352 0.839 1.00 0.00 C ATOM 1293 SD MET A 82 21.613 -7.358 -0.964 1.00 0.00 S ATOM 1294 CE MET A 82 20.709 -5.846 -1.288 1.00 0.00 C ATOM 0 H MET A 82 21.387 -7.578 3.463 1.00 0.00 H new ATOM 0 HA MET A 82 24.312 -7.401 3.078 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.786 -7.417 0.692 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.078 -8.815 1.475 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.903 -8.048 1.217 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.378 -6.361 1.201 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.603 -5.709 -2.364 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.722 -5.907 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 82 21.252 -5.000 -0.867 1.00 0.00 H new ATOM 1304 N CYS A 83 22.806 -4.953 3.750 1.00 0.00 N ATOM 1305 CA CYS A 83 22.701 -3.499 3.790 1.00 0.00 C ATOM 1306 C CYS A 83 24.027 -2.870 4.209 1.00 0.00 C ATOM 1307 O CYS A 83 24.636 -3.253 5.207 1.00 0.00 O ATOM 1308 CB CYS A 83 21.594 -3.074 4.756 1.00 0.00 C ATOM 1309 SG CYS A 83 21.644 -1.311 5.215 1.00 0.00 S ATOM 0 H CYS A 83 22.512 -5.421 4.608 1.00 0.00 H new ATOM 0 HA CYS A 83 22.454 -3.149 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.627 -3.293 4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.666 -3.676 5.662 1.00 0.00 H new ATOM 0 HG CYS A 83 20.432 -0.870 5.376 1.00 0.00 H new ATOM 1314 N PRO A 84 24.484 -1.880 3.428 1.00 0.00 N ATOM 1315 CA PRO A 84 25.741 -1.175 3.697 1.00 0.00 C ATOM 1316 C PRO A 84 25.655 -0.291 4.936 1.00 0.00 C ATOM 1317 O PRO A 84 26.620 -0.168 5.691 1.00 0.00 O ATOM 1318 CB PRO A 84 25.945 -0.321 2.444 1.00 0.00 C ATOM 1319 CG PRO A 84 24.574 -0.119 1.896 1.00 0.00 C ATOM 1320 CD PRO A 84 23.809 -1.372 2.222 1.00 0.00 C ATOM 0 HA PRO A 84 26.561 -1.865 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.419 0.630 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.590 -0.824 1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.100 0.755 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.605 0.050 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.756 -1.163 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.850 -2.092 1.405 1.00 0.00 H new ATOM 1328 N ALA A 85 24.495 0.323 5.140 1.00 0.00 N ATOM 1329 CA ALA A 85 24.283 1.195 6.290 1.00 0.00 C ATOM 1330 C ALA A 85 24.402 0.418 7.597 1.00 0.00 C ATOM 1331 O ALA A 85 24.858 0.952 8.608 1.00 0.00 O ATOM 1332 CB ALA A 85 22.922 1.869 6.197 1.00 0.00 C ATOM 0 H ALA A 85 23.687 0.233 4.524 1.00 0.00 H new ATOM 0 HA ALA A 85 25.058 1.962 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.777 2.517 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.872 2.464 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 85 22.140 1.109 6.178 1.00 0.00 H new ATOM 1338 N SER A 86 23.989 -0.845 7.569 1.00 0.00 N ATOM 1339 CA SER A 86 24.046 -1.694 8.754 1.00 0.00 C ATOM 1340 C SER A 86 25.451 -1.706 9.346 1.00 0.00 C ATOM 1341 O SER A 86 25.649 -2.094 10.498 1.00 0.00 O ATOM 1342 CB SER A 86 23.613 -3.120 8.406 1.00 0.00 C ATOM 1343 OG SER A 86 22.214 -3.281 8.564 1.00 0.00 O ATOM 0 H SER A 86 23.611 -1.303 6.740 1.00 0.00 H new ATOM 0 HA SER A 86 23.362 -1.286 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.895 -3.348 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 86 24.138 -3.829 9.046 1.00 0.00 H new ATOM 0 HG SER A 86 21.917 -4.069 8.063 1.00 0.00 H new