USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=27 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 -137:sc= -2.69! USER MOD Set 1.2: A 62 ASN : amide:sc= -11.2! C(o=-19!,f=-23!) USER MOD Set 1.3: A 67 CYS SG : rot 153:sc= -0.422 USER MOD Set 1.4: A 79 HIS :FLIP no HD1:sc= -4.53! C(o=-21!,f=-19!) USER MOD Set 1.5: A 83 CYS SG : rot 144:sc= -0.434 USER MOD Set 2.1: A 33 CYS SG : rot 113:sc= -1.02 USER MOD Set 2.2: A 37 CYS SG : rot -159:sc= 0.0769 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -13.6! C(o=-15!,f=-15!) USER MOD Set 2.4: A 53 CYS SG : rot 146:sc= -0.553 USER MOD Set 3.1: A 7 HIS :FLIP no HE2:sc= -1.46 F(o=-11!,f=-10) USER MOD Set 3.2: A 9 HIS :FLIP no HE2:sc= -3.32! C(o=-11!,f=-10!) USER MOD Set 3.3: A 10 CYS SG : rot 18:sc= -2.31! USER MOD Set 3.4: A 13 CYS SG : rot -163:sc= 0.1 USER MOD Set 3.5: A 18 CYS SG : rot 62:sc= -0.519 USER MOD Set 3.6: A 20 THR OG1 : rot 164:sc= 0.684 USER MOD Set 3.7: A 28 CYS SG : rot -53:sc= -0.0314 USER MOD Set 3.8: A 42 HIS : no HE2:sc= -2.33! C(o=-10!,f=-17!) USER MOD Set 3.9: A 43 SER OG : rot -40:sc= 0.491 USER MOD Set 3.10: A 44 CYS SG : rot -99:sc= -1.36! USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.3!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 19 MET CE :methyl -111:sc= -0.271 (180deg=-1.45) USER MOD Single : A 27 SER OG : rot -72:sc= 0.0656 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.0334 (180deg=-0.0334) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 46:sc= 0.0223 USER MOD Single : A 71 MET CE :methyl -173:sc= -1.49 (180deg=-1.73) USER MOD Single : A 74 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ -130:sc= -0.0666 (180deg=-0.507) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -60:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -14.175 10.003 6.096 1.00 0.00 N ATOM 148 CA GLN A 6 -14.255 8.855 6.991 1.00 0.00 C ATOM 149 C GLN A 6 -15.664 8.272 7.005 1.00 0.00 C ATOM 150 O GLN A 6 -16.642 8.978 6.752 1.00 0.00 O ATOM 151 CB GLN A 6 -13.843 9.258 8.408 1.00 0.00 C ATOM 152 CG GLN A 6 -14.803 10.235 9.067 1.00 0.00 C ATOM 153 CD GLN A 6 -14.180 10.965 10.240 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.247 11.751 10.072 1.00 0.00 O ATOM 155 NE2 GLN A 6 -14.693 10.708 11.438 1.00 0.00 N ATOM 0 HA GLN A 6 -13.570 8.091 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.770 8.362 9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.849 9.705 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.139 10.963 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.687 9.696 9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.466 10.049 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.314 11.169 12.265 1.00 0.00 H new ATOM 164 N HIS A 7 -15.762 6.980 7.302 1.00 0.00 N ATOM 165 CA HIS A 7 -17.053 6.303 7.349 1.00 0.00 C ATOM 166 C HIS A 7 -17.355 5.806 8.760 1.00 0.00 C ATOM 167 O HIS A 7 -16.577 5.050 9.342 1.00 0.00 O ATOM 168 CB HIS A 7 -17.074 5.130 6.368 1.00 0.00 C ATOM 169 CG HIS A 7 -17.125 5.552 4.932 1.00 0.00 C ATOM 170 ND1 HIS A 7 -17.762 6.587 4.335 1.00 0.00 N flip ATOM 171 CD2 HIS A 7 -16.468 4.877 3.925 1.00 0.00 C flip ATOM 172 CE1 HIS A 7 -17.480 6.520 2.993 1.00 0.00 C flip ATOM 173 NE2 HIS A 7 -16.697 5.479 2.771 1.00 0.00 N flip ATOM 0 H HIS A 7 -14.964 6.381 7.514 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.822 7.021 7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.186 4.518 6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.938 4.501 6.584 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -18.343 7.287 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.861 3.994 4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.840 7.207 2.241 1.00 0.00 H new ATOM 181 N SER A 8 -18.488 6.236 9.304 1.00 0.00 N ATOM 182 CA SER A 8 -18.890 5.839 10.648 1.00 0.00 C ATOM 183 C SER A 8 -18.759 4.330 10.830 1.00 0.00 C ATOM 184 O SER A 8 -18.423 3.850 11.914 1.00 0.00 O ATOM 185 CB SER A 8 -20.331 6.274 10.922 1.00 0.00 C ATOM 186 OG SER A 8 -20.415 7.677 11.103 1.00 0.00 O ATOM 0 H SER A 8 -19.144 6.860 8.835 1.00 0.00 H new ATOM 0 HA SER A 8 -18.228 6.333 11.359 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.969 5.973 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.704 5.767 11.811 1.00 0.00 H new ATOM 0 HG SER A 8 -21.346 7.929 11.275 1.00 0.00 H new ATOM 192 N HIS A 9 -19.027 3.585 9.762 1.00 0.00 N ATOM 193 CA HIS A 9 -18.939 2.130 9.803 1.00 0.00 C ATOM 194 C HIS A 9 -17.488 1.670 9.698 1.00 0.00 C ATOM 195 O HIS A 9 -16.919 1.152 10.659 1.00 0.00 O ATOM 196 CB HIS A 9 -19.763 1.516 8.671 1.00 0.00 C ATOM 197 CG HIS A 9 -19.498 0.058 8.459 1.00 0.00 C ATOM 198 ND1 HIS A 9 -18.612 -0.573 7.653 1.00 0.00 N flip ATOM 199 CD2 HIS A 9 -20.188 -0.937 9.119 1.00 0.00 C flip ATOM 200 CE1 HIS A 9 -18.780 -1.923 7.840 1.00 0.00 C flip ATOM 201 NE2 HIS A 9 -19.737 -2.116 8.730 1.00 0.00 N flip ATOM 0 H HIS A 9 -19.307 3.965 8.858 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.340 1.794 10.759 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.822 1.657 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.552 2.053 7.746 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -17.944 -0.128 7.024 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.975 -0.777 9.841 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.221 -2.700 7.341 1.00 0.00 H new ATOM 209 N CYS A 10 -16.894 1.863 8.525 1.00 0.00 N ATOM 210 CA CYS A 10 -15.511 1.468 8.293 1.00 0.00 C ATOM 211 C CYS A 10 -14.623 1.882 9.463 1.00 0.00 C ATOM 212 O CYS A 10 -13.914 1.058 10.041 1.00 0.00 O ATOM 213 CB CYS A 10 -14.990 2.093 6.997 1.00 0.00 C ATOM 214 SG CYS A 10 -16.060 1.807 5.551 1.00 0.00 S ATOM 0 H CYS A 10 -17.350 2.291 7.720 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.480 0.382 8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.876 3.167 7.144 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.998 1.693 6.786 1.00 0.00 H new ATOM 0 HG CYS A 10 -17.245 1.453 5.951 1.00 0.00 H new ATOM 219 N VAL A 11 -14.669 3.165 9.808 1.00 0.00 N ATOM 220 CA VAL A 11 -13.871 3.690 10.910 1.00 0.00 C ATOM 221 C VAL A 11 -13.928 2.764 12.119 1.00 0.00 C ATOM 222 O VAL A 11 -12.941 2.599 12.834 1.00 0.00 O ATOM 223 CB VAL A 11 -14.347 5.093 11.329 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.233 6.066 10.165 1.00 0.00 C ATOM 225 CG2 VAL A 11 -15.776 5.037 11.849 1.00 0.00 C ATOM 0 H VAL A 11 -15.251 3.860 9.340 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.843 3.755 10.554 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.705 5.450 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.574 7.052 10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.194 6.127 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.850 5.717 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.096 6.037 12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.434 4.659 11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.823 4.374 12.713 1.00 0.00 H new ATOM 235 N ASN A 12 -15.091 2.160 12.341 1.00 0.00 N ATOM 236 CA ASN A 12 -15.277 1.249 13.465 1.00 0.00 C ATOM 237 C ASN A 12 -15.507 -0.178 12.976 1.00 0.00 C ATOM 238 O ASN A 12 -16.313 -0.917 13.543 1.00 0.00 O ATOM 239 CB ASN A 12 -16.458 1.703 14.326 1.00 0.00 C ATOM 240 CG ASN A 12 -16.038 2.657 15.427 1.00 0.00 C ATOM 241 OD1 ASN A 12 -14.938 2.552 15.968 1.00 0.00 O ATOM 242 ND2 ASN A 12 -16.917 3.594 15.764 1.00 0.00 N ATOM 0 H ASN A 12 -15.918 2.285 11.758 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.369 1.265 14.068 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.201 2.188 13.692 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.938 0.830 14.769 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.691 4.264 16.499 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.818 3.643 15.288 1.00 0.00 H new ATOM 249 N CYS A 13 -14.795 -0.558 11.922 1.00 0.00 N ATOM 250 CA CYS A 13 -14.920 -1.896 11.356 1.00 0.00 C ATOM 251 C CYS A 13 -13.557 -2.575 11.257 1.00 0.00 C ATOM 252 O CYS A 13 -12.805 -2.348 10.309 1.00 0.00 O ATOM 253 CB CYS A 13 -15.569 -1.828 9.972 1.00 0.00 C ATOM 254 SG CYS A 13 -15.789 -3.451 9.173 1.00 0.00 S ATOM 0 H CYS A 13 -14.124 0.042 11.441 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.553 -2.486 12.019 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.542 -1.344 10.062 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.958 -1.197 9.327 1.00 0.00 H new ATOM 0 HG CYS A 13 -16.002 -3.283 7.901 1.00 0.00 H new ATOM 259 N VAL A 14 -13.245 -3.409 12.244 1.00 0.00 N ATOM 260 CA VAL A 14 -11.973 -4.122 12.268 1.00 0.00 C ATOM 261 C VAL A 14 -12.132 -5.546 11.747 1.00 0.00 C ATOM 262 O VAL A 14 -11.381 -6.444 12.127 1.00 0.00 O ATOM 263 CB VAL A 14 -11.384 -4.170 13.691 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.206 -2.764 14.243 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.268 -5.004 14.605 1.00 0.00 C ATOM 0 H VAL A 14 -13.855 -3.607 13.037 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.290 -3.575 11.618 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.403 -4.642 13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.789 -2.818 15.249 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.529 -2.203 13.599 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.173 -2.262 14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.837 -5.027 15.606 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.264 -4.564 14.649 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.337 -6.020 14.216 1.00 0.00 H new ATOM 275 N SER A 15 -13.114 -5.745 10.874 1.00 0.00 N ATOM 276 CA SER A 15 -13.374 -7.061 10.303 1.00 0.00 C ATOM 277 C SER A 15 -12.835 -7.151 8.878 1.00 0.00 C ATOM 278 O SER A 15 -12.686 -6.138 8.194 1.00 0.00 O ATOM 279 CB SER A 15 -14.875 -7.357 10.312 1.00 0.00 C ATOM 280 OG SER A 15 -15.162 -8.557 9.615 1.00 0.00 O ATOM 0 H SER A 15 -13.743 -5.012 10.547 1.00 0.00 H new ATOM 0 HA SER A 15 -12.861 -7.803 10.915 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.227 -7.437 11.341 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.415 -6.528 9.854 1.00 0.00 H new ATOM 0 HG SER A 15 -16.127 -8.725 9.637 1.00 0.00 H new ATOM 286 N ARG A 16 -12.544 -8.371 8.438 1.00 0.00 N ATOM 287 CA ARG A 16 -12.020 -8.594 7.096 1.00 0.00 C ATOM 288 C ARG A 16 -13.121 -9.077 6.156 1.00 0.00 C ATOM 289 O ARG A 16 -13.341 -8.498 5.092 1.00 0.00 O ATOM 290 CB ARG A 16 -10.882 -9.615 7.133 1.00 0.00 C ATOM 291 CG ARG A 16 -9.709 -9.189 8.000 1.00 0.00 C ATOM 292 CD ARG A 16 -8.581 -10.207 7.951 1.00 0.00 C ATOM 293 NE ARG A 16 -8.798 -11.310 8.883 1.00 0.00 N ATOM 294 CZ ARG A 16 -8.205 -12.493 8.773 1.00 0.00 C ATOM 295 NH1 ARG A 16 -7.362 -12.726 7.777 1.00 0.00 N ATOM 296 NH2 ARG A 16 -8.454 -13.447 9.661 1.00 0.00 N ATOM 0 H ARG A 16 -12.662 -9.220 8.991 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.636 -7.646 6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.269 -10.565 7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.528 -9.788 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.340 -8.220 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.043 -9.064 9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.492 -10.600 6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.638 -9.714 8.186 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.441 -11.164 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.167 -11.996 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.908 -13.636 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.102 -13.272 10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.998 -14.355 9.575 1.00 0.00 H new ATOM 310 N ARG A 17 -13.809 -10.141 6.557 1.00 0.00 N ATOM 311 CA ARG A 17 -14.886 -10.703 5.750 1.00 0.00 C ATOM 312 C ARG A 17 -16.195 -9.960 5.997 1.00 0.00 C ATOM 313 O ARG A 17 -17.276 -10.546 5.929 1.00 0.00 O ATOM 314 CB ARG A 17 -15.064 -12.190 6.063 1.00 0.00 C ATOM 315 CG ARG A 17 -14.197 -13.101 5.208 1.00 0.00 C ATOM 316 CD ARG A 17 -14.824 -13.346 3.845 1.00 0.00 C ATOM 317 NE ARG A 17 -14.080 -14.337 3.071 1.00 0.00 N ATOM 318 CZ ARG A 17 -14.555 -14.924 1.979 1.00 0.00 C ATOM 319 NH1 ARG A 17 -15.766 -14.621 1.532 1.00 0.00 N ATOM 320 NH2 ARG A 17 -13.818 -15.816 1.329 1.00 0.00 N ATOM 0 H ARG A 17 -13.640 -10.631 7.435 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.617 -10.589 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.831 -12.362 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.110 -12.460 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.211 -12.653 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.052 -14.053 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.852 -13.684 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.864 -12.408 3.291 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.144 -14.592 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.336 -13.935 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.128 -15.074 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.885 -16.051 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.184 -16.266 0.490 1.00 0.00 H new ATOM 334 N CYS A 18 -16.090 -8.667 6.284 1.00 0.00 N ATOM 335 CA CYS A 18 -17.265 -7.843 6.543 1.00 0.00 C ATOM 336 C CYS A 18 -18.153 -7.757 5.304 1.00 0.00 C ATOM 337 O CYS A 18 -17.667 -7.549 4.193 1.00 0.00 O ATOM 338 CB CYS A 18 -16.843 -6.439 6.979 1.00 0.00 C ATOM 339 SG CYS A 18 -18.088 -5.151 6.646 1.00 0.00 S ATOM 0 H CYS A 18 -15.203 -8.167 6.343 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.835 -8.310 7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.626 -6.452 8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.917 -6.175 6.469 1.00 0.00 H new ATOM 0 HG CYS A 18 -19.174 -5.415 7.311 1.00 0.00 H new ATOM 344 N MET A 19 -19.456 -7.919 5.505 1.00 0.00 N ATOM 345 CA MET A 19 -20.412 -7.859 4.405 1.00 0.00 C ATOM 346 C MET A 19 -21.537 -6.877 4.716 1.00 0.00 C ATOM 347 O MET A 19 -22.712 -7.243 4.720 1.00 0.00 O ATOM 348 CB MET A 19 -20.993 -9.247 4.130 1.00 0.00 C ATOM 349 CG MET A 19 -20.102 -10.117 3.259 1.00 0.00 C ATOM 350 SD MET A 19 -20.480 -11.874 3.414 1.00 0.00 S ATOM 351 CE MET A 19 -19.882 -12.205 5.069 1.00 0.00 C ATOM 0 H MET A 19 -19.875 -8.093 6.419 1.00 0.00 H new ATOM 0 HA MET A 19 -19.885 -7.511 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.166 -9.754 5.079 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.964 -9.136 3.646 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.213 -9.816 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 19 -19.060 -9.948 3.530 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.999 -12.842 5.016 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.623 -11.265 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 19 -20.659 -12.710 5.643 1.00 0.00 H new ATOM 361 N THR A 20 -21.169 -5.626 4.976 1.00 0.00 N ATOM 362 CA THR A 20 -22.147 -4.591 5.289 1.00 0.00 C ATOM 363 C THR A 20 -22.489 -3.766 4.054 1.00 0.00 C ATOM 364 O THR A 20 -21.600 -3.325 3.325 1.00 0.00 O ATOM 365 CB THR A 20 -21.634 -3.650 6.395 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.338 -4.399 7.579 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.663 -2.576 6.712 1.00 0.00 C ATOM 0 H THR A 20 -20.201 -5.305 4.976 1.00 0.00 H new ATOM 0 HA THR A 20 -23.044 -5.100 5.642 1.00 0.00 H new ATOM 0 HB THR A 20 -20.726 -3.166 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.784 -3.857 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.278 -1.924 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.863 -1.988 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.586 -3.046 7.051 1.00 0.00 H new ATOM 375 N ARG A 21 -23.782 -3.562 3.824 1.00 0.00 N ATOM 376 CA ARG A 21 -24.241 -2.790 2.675 1.00 0.00 C ATOM 377 C ARG A 21 -23.489 -1.466 2.575 1.00 0.00 C ATOM 378 O ARG A 21 -23.527 -0.632 3.480 1.00 0.00 O ATOM 379 CB ARG A 21 -25.745 -2.528 2.778 1.00 0.00 C ATOM 380 CG ARG A 21 -26.376 -2.085 1.469 1.00 0.00 C ATOM 381 CD ARG A 21 -27.736 -1.443 1.695 1.00 0.00 C ATOM 382 NE ARG A 21 -28.771 -2.436 1.972 1.00 0.00 N ATOM 383 CZ ARG A 21 -29.235 -3.287 1.064 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.758 -3.266 -0.173 1.00 0.00 N ATOM 385 NH2 ARG A 21 -30.177 -4.161 1.392 1.00 0.00 N ATOM 0 H ARG A 21 -24.530 -3.920 4.418 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.041 -3.371 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.241 -3.436 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.921 -1.763 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -25.717 -1.376 0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.484 -2.944 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -27.673 -0.743 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.015 -0.865 0.814 1.00 0.00 H new ATOM 0 HE ARG A 21 -29.159 -2.478 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.033 -2.595 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -29.116 -3.920 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -30.546 -4.180 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -30.532 -4.814 0.694 1.00 0.00 H new ATOM 399 N PRO A 22 -22.789 -1.267 1.448 1.00 0.00 N ATOM 400 CA PRO A 22 -22.015 -0.046 1.203 1.00 0.00 C ATOM 401 C PRO A 22 -22.907 1.170 0.979 1.00 0.00 C ATOM 402 O PRO A 22 -23.546 1.299 -0.065 1.00 0.00 O ATOM 403 CB PRO A 22 -21.230 -0.374 -0.070 1.00 0.00 C ATOM 404 CG PRO A 22 -22.045 -1.412 -0.761 1.00 0.00 C ATOM 405 CD PRO A 22 -22.699 -2.218 0.328 1.00 0.00 C ATOM 0 HA PRO A 22 -21.386 0.215 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.102 0.510 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.232 -0.745 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.792 -0.954 -1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.419 -2.043 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.683 -2.578 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.106 -3.094 0.591 1.00 0.00 H new ATOM 413 N GLU A 23 -22.945 2.060 1.966 1.00 0.00 N ATOM 414 CA GLU A 23 -23.760 3.266 1.876 1.00 0.00 C ATOM 415 C GLU A 23 -22.913 4.465 1.458 1.00 0.00 C ATOM 416 O GLU A 23 -21.684 4.449 1.544 1.00 0.00 O ATOM 417 CB GLU A 23 -24.440 3.550 3.217 1.00 0.00 C ATOM 418 CG GLU A 23 -25.826 2.940 3.338 1.00 0.00 C ATOM 419 CD GLU A 23 -26.651 3.112 2.078 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.360 4.134 1.968 1.00 0.00 O ATOM 421 OE2 GLU A 23 -26.589 2.224 1.202 1.00 0.00 O ATOM 0 H GLU A 23 -22.421 1.969 2.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.525 3.101 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.812 3.167 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.514 4.629 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.733 1.878 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.349 3.400 4.176 1.00 0.00 H new ATOM 428 N PRO A 24 -23.583 5.530 0.995 1.00 0.00 N ATOM 429 CA PRO A 24 -22.913 6.757 0.554 1.00 0.00 C ATOM 430 C PRO A 24 -22.295 7.529 1.715 1.00 0.00 C ATOM 431 O PRO A 24 -21.805 8.643 1.541 1.00 0.00 O ATOM 432 CB PRO A 24 -24.043 7.568 -0.086 1.00 0.00 C ATOM 433 CG PRO A 24 -25.284 7.074 0.574 1.00 0.00 C ATOM 434 CD PRO A 24 -25.047 5.618 0.865 1.00 0.00 C ATOM 0 HA PRO A 24 -22.084 6.548 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.906 8.637 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.080 7.414 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.485 7.628 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.150 7.206 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.551 5.304 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.418 4.982 0.061 1.00 0.00 H new ATOM 442 N GLY A 25 -22.322 6.927 2.901 1.00 0.00 N ATOM 443 CA GLY A 25 -21.761 7.573 4.073 1.00 0.00 C ATOM 444 C GLY A 25 -21.424 6.586 5.173 1.00 0.00 C ATOM 445 O GLY A 25 -20.272 6.488 5.596 1.00 0.00 O ATOM 0 H GLY A 25 -22.722 6.004 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.860 8.117 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.470 8.308 4.453 1.00 0.00 H new ATOM 449 N ILE A 26 -22.431 5.855 5.639 1.00 0.00 N ATOM 450 CA ILE A 26 -22.235 4.871 6.696 1.00 0.00 C ATOM 451 C ILE A 26 -21.017 3.998 6.416 1.00 0.00 C ATOM 452 O ILE A 26 -20.009 4.077 7.118 1.00 0.00 O ATOM 453 CB ILE A 26 -23.472 3.969 6.863 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.604 4.740 7.545 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.116 2.724 7.661 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.080 5.940 6.755 1.00 0.00 C ATOM 0 H ILE A 26 -23.391 5.926 5.301 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.075 5.428 7.619 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.813 3.658 5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.445 4.066 7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.266 5.072 8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.001 2.097 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.338 2.167 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.753 3.015 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.883 6.438 7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.252 6.635 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.449 5.613 5.783 1.00 0.00 H new ATOM 468 N SER A 27 -21.116 3.166 5.384 1.00 0.00 N ATOM 469 CA SER A 27 -20.024 2.276 5.011 1.00 0.00 C ATOM 470 C SER A 27 -19.846 2.238 3.497 1.00 0.00 C ATOM 471 O SER A 27 -20.725 2.662 2.746 1.00 0.00 O ATOM 472 CB SER A 27 -20.284 0.864 5.541 1.00 0.00 C ATOM 473 OG SER A 27 -21.151 0.148 4.678 1.00 0.00 O ATOM 0 H SER A 27 -21.943 3.090 4.791 1.00 0.00 H new ATOM 0 HA SER A 27 -19.107 2.661 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.339 0.329 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.723 0.921 6.537 1.00 0.00 H new ATOM 0 HG SER A 27 -22.060 0.507 4.756 1.00 0.00 H new ATOM 479 N CYS A 28 -18.702 1.728 3.054 1.00 0.00 N ATOM 480 CA CYS A 28 -18.406 1.634 1.629 1.00 0.00 C ATOM 481 C CYS A 28 -18.044 0.203 1.242 1.00 0.00 C ATOM 482 O CYS A 28 -17.943 -0.676 2.098 1.00 0.00 O ATOM 483 CB CYS A 28 -17.260 2.579 1.262 1.00 0.00 C ATOM 484 SG CYS A 28 -15.642 2.084 1.937 1.00 0.00 S ATOM 0 H CYS A 28 -17.964 1.373 3.662 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.300 1.926 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.186 2.638 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.500 3.580 1.620 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.743 1.908 3.221 1.00 0.00 H new ATOM 489 N ASP A 29 -17.849 -0.022 -0.053 1.00 0.00 N ATOM 490 CA ASP A 29 -17.497 -1.345 -0.554 1.00 0.00 C ATOM 491 C ASP A 29 -16.140 -1.787 -0.016 1.00 0.00 C ATOM 492 O ASP A 29 -15.332 -0.962 0.415 1.00 0.00 O ATOM 493 CB ASP A 29 -17.478 -1.345 -2.084 1.00 0.00 C ATOM 494 CG ASP A 29 -18.511 -0.408 -2.676 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.609 -0.291 -2.093 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.223 0.208 -3.724 1.00 0.00 O ATOM 0 H ASP A 29 -17.929 0.695 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.252 -2.051 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.487 -1.055 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.659 -2.357 -2.447 1.00 0.00 H new ATOM 501 N LEU A 30 -15.896 -3.092 -0.042 1.00 0.00 N ATOM 502 CA LEU A 30 -14.636 -3.644 0.445 1.00 0.00 C ATOM 503 C LEU A 30 -13.740 -4.063 -0.717 1.00 0.00 C ATOM 504 O LEU A 30 -14.221 -4.557 -1.737 1.00 0.00 O ATOM 505 CB LEU A 30 -14.901 -4.843 1.358 1.00 0.00 C ATOM 506 CG LEU A 30 -15.168 -4.521 2.828 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.825 -5.703 3.523 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.876 -4.136 3.533 1.00 0.00 C ATOM 0 H LEU A 30 -16.553 -3.788 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.123 -2.868 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.758 -5.391 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.042 -5.512 1.304 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.851 -3.673 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.007 -5.455 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.772 -5.932 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.167 -6.570 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.085 -3.910 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.169 -4.964 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.446 -3.258 3.051 1.00 0.00 H new ATOM 520 N ILE A 31 -12.437 -3.865 -0.553 1.00 0.00 N ATOM 521 CA ILE A 31 -11.474 -4.225 -1.587 1.00 0.00 C ATOM 522 C ILE A 31 -10.192 -4.778 -0.975 1.00 0.00 C ATOM 523 O ILE A 31 -9.694 -4.259 0.023 1.00 0.00 O ATOM 524 CB ILE A 31 -11.125 -3.017 -2.477 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.576 -1.870 -1.626 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.349 -2.565 -3.259 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.101 -1.999 -1.317 1.00 0.00 C ATOM 0 H ILE A 31 -12.023 -3.457 0.286 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.943 -4.994 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.355 -3.318 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.749 -0.928 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.132 -1.824 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.087 -1.711 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.700 -3.382 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.139 -2.278 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.781 -1.152 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.924 -2.925 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.534 -2.014 -2.248 1.00 0.00 H new ATOM 539 N GLY A 32 -9.661 -5.835 -1.582 1.00 0.00 N ATOM 540 CA GLY A 32 -8.440 -6.441 -1.084 1.00 0.00 C ATOM 541 C GLY A 32 -7.217 -5.585 -1.350 1.00 0.00 C ATOM 542 O GLY A 32 -7.162 -4.862 -2.345 1.00 0.00 O ATOM 0 H GLY A 32 -10.055 -6.282 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.534 -6.612 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.305 -7.417 -1.551 1.00 0.00 H new ATOM 546 N CYS A 33 -6.235 -5.665 -0.459 1.00 0.00 N ATOM 547 CA CYS A 33 -5.008 -4.890 -0.601 1.00 0.00 C ATOM 548 C CYS A 33 -4.381 -5.111 -1.974 1.00 0.00 C ATOM 549 O CYS A 33 -4.263 -6.238 -2.457 1.00 0.00 O ATOM 550 CB CYS A 33 -4.010 -5.271 0.495 1.00 0.00 C ATOM 551 SG CYS A 33 -2.570 -4.161 0.607 1.00 0.00 S ATOM 0 H CYS A 33 -6.265 -6.259 0.370 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.261 -3.834 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.526 -5.278 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.659 -6.287 0.315 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.618 -3.500 1.725 1.00 0.00 H new ATOM 556 N PRO A 34 -3.968 -4.011 -2.620 1.00 0.00 N ATOM 557 CA PRO A 34 -3.345 -4.058 -3.946 1.00 0.00 C ATOM 558 C PRO A 34 -1.953 -4.678 -3.911 1.00 0.00 C ATOM 559 O PRO A 34 -1.334 -4.900 -4.953 1.00 0.00 O ATOM 560 CB PRO A 34 -3.264 -2.584 -4.353 1.00 0.00 C ATOM 561 CG PRO A 34 -3.238 -1.837 -3.064 1.00 0.00 C ATOM 562 CD PRO A 34 -4.077 -2.635 -2.105 1.00 0.00 C ATOM 0 HA PRO A 34 -3.914 -4.676 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.370 -2.385 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.120 -2.294 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.218 -1.731 -2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.638 -0.831 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.704 -2.557 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.111 -2.291 -2.093 1.00 0.00 H new ATOM 570 N LEU A 35 -1.465 -4.958 -2.708 1.00 0.00 N ATOM 571 CA LEU A 35 -0.145 -5.554 -2.537 1.00 0.00 C ATOM 572 C LEU A 35 -0.258 -7.023 -2.141 1.00 0.00 C ATOM 573 O LEU A 35 0.717 -7.637 -1.708 1.00 0.00 O ATOM 574 CB LEU A 35 0.649 -4.788 -1.477 1.00 0.00 C ATOM 575 CG LEU A 35 1.029 -3.350 -1.832 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.185 -2.513 -0.572 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.309 -3.324 -2.654 1.00 0.00 C ATOM 0 H LEU A 35 -1.964 -4.782 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 35 0.380 -5.493 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.066 -4.772 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.563 -5.343 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 35 0.227 -2.920 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.456 -1.493 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.244 -2.504 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.968 -2.941 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.564 -2.293 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.120 -3.772 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.162 -3.888 -3.575 1.00 0.00 H new ATOM 589 N VAL A 36 -1.454 -7.582 -2.296 1.00 0.00 N ATOM 590 CA VAL A 36 -1.694 -8.980 -1.958 1.00 0.00 C ATOM 591 C VAL A 36 -1.078 -9.333 -0.609 1.00 0.00 C ATOM 592 O VAL A 36 -0.573 -10.439 -0.415 1.00 0.00 O ATOM 593 CB VAL A 36 -1.123 -9.923 -3.033 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.724 -9.608 -4.394 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.395 -9.824 -3.076 1.00 0.00 C ATOM 0 H VAL A 36 -2.272 -7.088 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.775 -9.112 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.391 -10.947 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.308 -10.285 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.806 -9.734 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.489 -8.579 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.782 -10.497 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.686 -8.800 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.805 -10.104 -2.106 1.00 0.00 H new ATOM 605 N CYS A 37 -1.124 -8.386 0.322 1.00 0.00 N ATOM 606 CA CYS A 37 -0.571 -8.595 1.655 1.00 0.00 C ATOM 607 C CYS A 37 -1.377 -9.641 2.420 1.00 0.00 C ATOM 608 O CYS A 37 -0.872 -10.273 3.347 1.00 0.00 O ATOM 609 CB CYS A 37 -0.553 -7.279 2.435 1.00 0.00 C ATOM 610 SG CYS A 37 -2.163 -6.814 3.148 1.00 0.00 S ATOM 0 H CYS A 37 -1.539 -7.465 0.178 1.00 0.00 H new ATOM 0 HA CYS A 37 0.451 -8.958 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.179 -7.356 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.217 -6.481 1.773 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.181 -5.536 3.383 1.00 0.00 H new ATOM 615 N GLY A 38 -2.634 -9.818 2.024 1.00 0.00 N ATOM 616 CA GLY A 38 -3.489 -10.788 2.682 1.00 0.00 C ATOM 617 C GLY A 38 -4.381 -10.156 3.733 1.00 0.00 C ATOM 618 O GLY A 38 -4.363 -10.559 4.895 1.00 0.00 O ATOM 0 H GLY A 38 -3.075 -9.307 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.108 -11.287 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.871 -11.555 3.148 1.00 0.00 H new ATOM 622 N ALA A 39 -5.162 -9.162 3.323 1.00 0.00 N ATOM 623 CA ALA A 39 -6.065 -8.474 4.237 1.00 0.00 C ATOM 624 C ALA A 39 -7.144 -7.712 3.474 1.00 0.00 C ATOM 625 O ALA A 39 -6.858 -7.029 2.490 1.00 0.00 O ATOM 626 CB ALA A 39 -5.284 -7.527 5.136 1.00 0.00 C ATOM 0 H ALA A 39 -5.187 -8.815 2.364 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.556 -9.224 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.971 -7.020 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.555 -8.094 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.766 -6.788 4.524 1.00 0.00 H new ATOM 632 N VAL A 40 -8.385 -7.835 3.933 1.00 0.00 N ATOM 633 CA VAL A 40 -9.507 -7.158 3.293 1.00 0.00 C ATOM 634 C VAL A 40 -9.974 -5.966 4.121 1.00 0.00 C ATOM 635 O VAL A 40 -10.425 -6.123 5.256 1.00 0.00 O ATOM 636 CB VAL A 40 -10.694 -8.117 3.080 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.869 -7.381 2.455 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.274 -9.299 2.219 1.00 0.00 C ATOM 0 H VAL A 40 -8.639 -8.397 4.745 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.154 -6.808 2.323 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.011 -8.498 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.698 -8.074 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.183 -6.571 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.570 -6.970 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.124 -9.967 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.931 -8.939 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.466 -9.839 2.712 1.00 0.00 H new ATOM 648 N PHE A 41 -9.863 -4.773 3.546 1.00 0.00 N ATOM 649 CA PHE A 41 -10.273 -3.553 4.231 1.00 0.00 C ATOM 650 C PHE A 41 -11.098 -2.662 3.307 1.00 0.00 C ATOM 651 O PHE A 41 -10.905 -2.662 2.090 1.00 0.00 O ATOM 652 CB PHE A 41 -9.047 -2.788 4.733 1.00 0.00 C ATOM 653 CG PHE A 41 -7.860 -2.889 3.818 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.688 -1.984 2.783 1.00 0.00 C ATOM 655 CD2 PHE A 41 -6.917 -3.889 3.992 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.598 -2.075 1.938 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.824 -3.984 3.151 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.664 -3.076 2.123 1.00 0.00 C ATOM 0 H PHE A 41 -9.492 -4.625 2.607 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.891 -3.835 5.083 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.310 -1.738 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.770 -3.167 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.414 -1.198 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.037 -4.602 4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.477 -1.364 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.096 -4.768 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.811 -3.148 1.465 1.00 0.00 H new ATOM 668 N HIS A 42 -12.020 -1.905 3.893 1.00 0.00 N ATOM 669 CA HIS A 42 -12.876 -1.009 3.123 1.00 0.00 C ATOM 670 C HIS A 42 -12.045 -0.125 2.198 1.00 0.00 C ATOM 671 O HIS A 42 -11.037 0.449 2.611 1.00 0.00 O ATOM 672 CB HIS A 42 -13.714 -0.139 4.061 1.00 0.00 C ATOM 673 CG HIS A 42 -14.878 -0.861 4.667 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.109 -0.951 4.053 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.993 -1.530 5.838 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.932 -1.644 4.821 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.279 -2.007 5.910 1.00 0.00 N ATOM 0 H HIS A 42 -12.194 -1.894 4.898 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.542 -1.619 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.076 0.239 4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.081 0.727 3.509 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.347 -0.546 3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.218 -1.664 6.578 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.963 -1.874 4.596 1.00 0.00 H new ATOM 685 N SER A 43 -12.473 -0.022 0.944 1.00 0.00 N ATOM 686 CA SER A 43 -11.766 0.788 -0.041 1.00 0.00 C ATOM 687 C SER A 43 -11.167 2.032 0.607 1.00 0.00 C ATOM 688 O SER A 43 -10.009 2.375 0.368 1.00 0.00 O ATOM 689 CB SER A 43 -12.712 1.194 -1.173 1.00 0.00 C ATOM 690 OG SER A 43 -13.772 2.000 -0.687 1.00 0.00 O ATOM 0 H SER A 43 -13.306 -0.489 0.586 1.00 0.00 H new ATOM 0 HA SER A 43 -10.955 0.188 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.157 1.739 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.118 0.302 -1.649 1.00 0.00 H new ATOM 0 HG SER A 43 -14.077 1.653 0.177 1.00 0.00 H new ATOM 696 N CYS A 44 -11.965 2.705 1.430 1.00 0.00 N ATOM 697 CA CYS A 44 -11.517 3.912 2.114 1.00 0.00 C ATOM 698 C CYS A 44 -10.382 3.597 3.085 1.00 0.00 C ATOM 699 O CYS A 44 -9.369 4.296 3.121 1.00 0.00 O ATOM 700 CB CYS A 44 -12.681 4.560 2.865 1.00 0.00 C ATOM 701 SG CYS A 44 -13.156 3.689 4.394 1.00 0.00 S ATOM 0 H CYS A 44 -12.926 2.434 1.639 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.146 4.609 1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.413 5.587 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.545 4.607 2.203 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.196 2.943 4.164 1.00 0.00 H new ATOM 706 N LYS A 45 -10.560 2.541 3.871 1.00 0.00 N ATOM 707 CA LYS A 45 -9.552 2.131 4.841 1.00 0.00 C ATOM 708 C LYS A 45 -8.264 1.707 4.143 1.00 0.00 C ATOM 709 O LYS A 45 -7.237 1.498 4.787 1.00 0.00 O ATOM 710 CB LYS A 45 -10.081 0.981 5.702 1.00 0.00 C ATOM 711 CG LYS A 45 -11.131 1.410 6.712 1.00 0.00 C ATOM 712 CD LYS A 45 -10.509 2.158 7.879 1.00 0.00 C ATOM 713 CE LYS A 45 -11.296 1.940 9.163 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.549 2.421 10.358 1.00 0.00 N ATOM 0 H LYS A 45 -11.393 1.953 3.855 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.332 2.985 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.506 0.217 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.247 0.521 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.869 2.046 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.661 0.532 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.481 1.825 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.470 3.223 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.251 2.462 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.519 0.879 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.118 2.255 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.649 1.906 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.358 3.439 10.261 1.00 0.00 H new ATOM 728 N ALA A 46 -8.327 1.582 2.821 1.00 0.00 N ATOM 729 CA ALA A 46 -7.165 1.186 2.035 1.00 0.00 C ATOM 730 C ALA A 46 -6.090 2.268 2.061 1.00 0.00 C ATOM 731 O ALA A 46 -4.934 2.016 1.721 1.00 0.00 O ATOM 732 CB ALA A 46 -7.576 0.882 0.602 1.00 0.00 C ATOM 0 H ALA A 46 -9.170 1.749 2.272 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.746 0.284 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.698 0.588 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.303 0.070 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.022 1.771 0.155 1.00 0.00 H new ATOM 738 N ASP A 47 -6.479 3.472 2.466 1.00 0.00 N ATOM 739 CA ASP A 47 -5.549 4.593 2.536 1.00 0.00 C ATOM 740 C ASP A 47 -4.821 4.611 3.876 1.00 0.00 C ATOM 741 O ASP A 47 -3.675 5.052 3.965 1.00 0.00 O ATOM 742 CB ASP A 47 -6.291 5.914 2.326 1.00 0.00 C ATOM 743 CG ASP A 47 -6.468 6.252 0.859 1.00 0.00 C ATOM 744 OD1 ASP A 47 -5.747 5.667 0.025 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.329 7.101 0.546 1.00 0.00 O ATOM 0 H ASP A 47 -7.432 3.697 2.751 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.811 4.471 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.269 5.858 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.742 6.718 2.817 1.00 0.00 H new ATOM 750 N GLU A 48 -5.495 4.131 4.917 1.00 0.00 N ATOM 751 CA GLU A 48 -4.912 4.094 6.253 1.00 0.00 C ATOM 752 C GLU A 48 -4.255 2.744 6.523 1.00 0.00 C ATOM 753 O GLU A 48 -3.275 2.654 7.263 1.00 0.00 O ATOM 754 CB GLU A 48 -5.983 4.373 7.309 1.00 0.00 C ATOM 755 CG GLU A 48 -6.954 3.222 7.510 1.00 0.00 C ATOM 756 CD GLU A 48 -6.422 2.170 8.464 1.00 0.00 C ATOM 757 OE1 GLU A 48 -5.859 2.551 9.512 1.00 0.00 O ATOM 758 OE2 GLU A 48 -6.569 0.967 8.165 1.00 0.00 O ATOM 0 H GLU A 48 -6.445 3.763 4.861 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.147 4.868 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.496 4.596 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.542 5.263 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.898 3.610 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.167 2.759 6.547 1.00 0.00 H new ATOM 765 N HIS A 49 -4.802 1.694 5.918 1.00 0.00 N ATOM 766 CA HIS A 49 -4.270 0.347 6.093 1.00 0.00 C ATOM 767 C HIS A 49 -2.839 0.257 5.573 1.00 0.00 C ATOM 768 O HIS A 49 -1.977 -0.358 6.201 1.00 0.00 O ATOM 769 CB HIS A 49 -5.153 -0.670 5.371 1.00 0.00 C ATOM 770 CG HIS A 49 -4.442 -1.942 5.025 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.398 -3.033 5.867 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.745 -2.294 3.919 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.703 -4.000 5.295 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.296 -3.577 4.112 1.00 0.00 N ATOM 0 H HIS A 49 -5.613 1.750 5.302 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.265 0.120 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.013 -0.903 5.999 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.539 -0.219 4.457 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.834 -3.085 6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.574 -1.680 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.502 -4.971 5.722 1.00 0.00 H new ATOM 782 N ARG A 50 -2.594 0.872 4.421 1.00 0.00 N ATOM 783 CA ARG A 50 -1.267 0.859 3.815 1.00 0.00 C ATOM 784 C ARG A 50 -0.200 1.244 4.835 1.00 0.00 C ATOM 785 O ARG A 50 0.956 0.833 4.725 1.00 0.00 O ATOM 786 CB ARG A 50 -1.218 1.817 2.623 1.00 0.00 C ATOM 787 CG ARG A 50 -1.052 3.275 3.020 1.00 0.00 C ATOM 788 CD ARG A 50 -1.420 4.209 1.878 1.00 0.00 C ATOM 789 NE ARG A 50 -0.322 4.373 0.929 1.00 0.00 N ATOM 790 CZ ARG A 50 0.686 5.219 1.111 1.00 0.00 C ATOM 791 NH1 ARG A 50 0.735 5.973 2.200 1.00 0.00 N ATOM 792 NH2 ARG A 50 1.648 5.311 0.201 1.00 0.00 N ATOM 0 H ARG A 50 -3.296 1.385 3.888 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.064 -0.154 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.393 1.530 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.135 1.709 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.679 3.491 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.020 3.456 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.294 3.818 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.699 5.182 2.281 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.330 3.807 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.003 5.905 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.510 6.622 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.613 4.732 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.422 5.961 0.341 1.00 0.00 H new ATOM 806 N LEU A 51 -0.594 2.035 5.826 1.00 0.00 N ATOM 807 CA LEU A 51 0.328 2.477 6.866 1.00 0.00 C ATOM 808 C LEU A 51 0.889 1.286 7.638 1.00 0.00 C ATOM 809 O LEU A 51 2.095 1.193 7.866 1.00 0.00 O ATOM 810 CB LEU A 51 -0.376 3.436 7.827 1.00 0.00 C ATOM 811 CG LEU A 51 -1.187 4.559 7.180 1.00 0.00 C ATOM 812 CD1 LEU A 51 -2.168 5.154 8.179 1.00 0.00 C ATOM 813 CD2 LEU A 51 -0.262 5.637 6.632 1.00 0.00 C ATOM 0 H LEU A 51 -1.547 2.384 5.932 1.00 0.00 H new ATOM 0 HA LEU A 51 1.156 2.998 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.042 2.855 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.376 3.885 8.476 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.755 4.139 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.736 5.952 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.852 4.378 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.620 5.559 9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.856 6.428 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.333 6.053 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.400 5.202 5.883 1.00 0.00 H new ATOM 825 N LEU A 52 0.005 0.378 8.036 1.00 0.00 N ATOM 826 CA LEU A 52 0.412 -0.809 8.781 1.00 0.00 C ATOM 827 C LEU A 52 0.852 -1.921 7.834 1.00 0.00 C ATOM 828 O LEU A 52 1.836 -2.617 8.092 1.00 0.00 O ATOM 829 CB LEU A 52 -0.738 -1.301 9.663 1.00 0.00 C ATOM 830 CG LEU A 52 -1.464 -0.230 10.477 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.638 0.333 9.692 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.933 -0.799 11.808 1.00 0.00 C ATOM 0 H LEU A 52 -0.997 0.440 7.856 1.00 0.00 H new ATOM 0 HA LEU A 52 1.258 -0.539 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.468 -1.803 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.347 -2.050 10.352 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.766 0.582 10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.143 1.094 10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.276 0.778 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.338 -0.469 9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.448 -0.023 12.374 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.615 -1.630 11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.072 -1.152 12.376 1.00 0.00 H new ATOM 844 N CYS A 53 0.120 -2.083 6.738 1.00 0.00 N ATOM 845 CA CYS A 53 0.436 -3.108 5.751 1.00 0.00 C ATOM 846 C CYS A 53 1.942 -3.336 5.665 1.00 0.00 C ATOM 847 O CYS A 53 2.715 -2.430 5.354 1.00 0.00 O ATOM 848 CB CYS A 53 -0.110 -2.710 4.378 1.00 0.00 C ATOM 849 SG CYS A 53 0.194 -3.942 3.071 1.00 0.00 S ATOM 0 H CYS A 53 -0.697 -1.517 6.510 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.037 -4.038 6.067 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.184 -2.541 4.461 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.339 -1.762 4.081 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.805 -3.948 2.239 1.00 0.00 H new ATOM 854 N PRO A 54 2.370 -4.575 5.948 1.00 0.00 N ATOM 855 CA PRO A 54 3.787 -4.952 5.910 1.00 0.00 C ATOM 856 C PRO A 54 4.341 -4.979 4.489 1.00 0.00 C ATOM 857 O PRO A 54 5.555 -5.002 4.286 1.00 0.00 O ATOM 858 CB PRO A 54 3.797 -6.358 6.515 1.00 0.00 C ATOM 859 CG PRO A 54 2.428 -6.889 6.260 1.00 0.00 C ATOM 860 CD PRO A 54 1.505 -5.705 6.327 1.00 0.00 C ATOM 0 HA PRO A 54 4.413 -4.239 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.558 -6.984 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.018 -6.329 7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.372 -7.372 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.156 -7.639 7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.663 -5.813 5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.090 -5.575 7.326 1.00 0.00 H new ATOM 868 N PHE A 55 3.443 -4.976 3.509 1.00 0.00 N ATOM 869 CA PHE A 55 3.843 -5.001 2.107 1.00 0.00 C ATOM 870 C PHE A 55 4.079 -3.587 1.583 1.00 0.00 C ATOM 871 O PHE A 55 4.807 -3.388 0.612 1.00 0.00 O ATOM 872 CB PHE A 55 2.774 -5.698 1.262 1.00 0.00 C ATOM 873 CG PHE A 55 2.907 -7.194 1.243 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.981 -7.911 2.426 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.958 -7.883 0.042 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.104 -9.288 2.411 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.081 -9.259 0.020 1.00 0.00 C ATOM 878 CZ PHE A 55 3.153 -9.963 1.207 1.00 0.00 C ATOM 0 H PHE A 55 2.434 -4.957 3.660 1.00 0.00 H new ATOM 0 HA PHE A 55 4.777 -5.558 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.789 -5.434 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.829 -5.323 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.942 -7.389 3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.901 -7.338 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.162 -9.835 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.121 -9.784 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.247 -11.039 1.193 1.00 0.00 H new ATOM 888 N GLU A 56 3.455 -2.609 2.234 1.00 0.00 N ATOM 889 CA GLU A 56 3.596 -1.215 1.833 1.00 0.00 C ATOM 890 C GLU A 56 5.067 -0.817 1.754 1.00 0.00 C ATOM 891 O GLU A 56 5.842 -1.077 2.675 1.00 0.00 O ATOM 892 CB GLU A 56 2.862 -0.301 2.818 1.00 0.00 C ATOM 893 CG GLU A 56 2.697 1.124 2.318 1.00 0.00 C ATOM 894 CD GLU A 56 4.018 1.861 2.208 1.00 0.00 C ATOM 895 OE1 GLU A 56 4.732 1.954 3.228 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.337 2.343 1.101 1.00 0.00 O ATOM 0 H GLU A 56 2.848 -2.757 3.040 1.00 0.00 H new ATOM 0 HA GLU A 56 3.153 -1.102 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.878 -0.721 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.407 -0.285 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.212 1.109 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.037 1.668 2.994 1.00 0.00 H new ATOM 903 N ARG A 57 5.445 -0.186 0.647 1.00 0.00 N ATOM 904 CA ARG A 57 6.823 0.246 0.446 1.00 0.00 C ATOM 905 C ARG A 57 7.260 1.201 1.552 1.00 0.00 C ATOM 906 O ARG A 57 6.670 2.265 1.738 1.00 0.00 O ATOM 907 CB ARG A 57 6.973 0.925 -0.917 1.00 0.00 C ATOM 908 CG ARG A 57 8.327 1.583 -1.124 1.00 0.00 C ATOM 909 CD ARG A 57 8.351 2.422 -2.392 1.00 0.00 C ATOM 910 NE ARG A 57 8.527 1.601 -3.587 1.00 0.00 N ATOM 911 CZ ARG A 57 8.256 2.026 -4.816 1.00 0.00 C ATOM 912 NH1 ARG A 57 7.800 3.256 -5.011 1.00 0.00 N ATOM 913 NH2 ARG A 57 8.442 1.221 -5.854 1.00 0.00 N ATOM 0 H ARG A 57 4.816 0.037 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 57 7.462 -0.636 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.814 0.185 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.192 1.678 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.562 2.212 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.100 0.817 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.421 2.985 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.160 3.150 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 57 8.877 0.650 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.656 3.879 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.593 3.579 -5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.793 0.275 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.234 1.549 -6.797 1.00 0.00 H new ATOM 927 N VAL A 58 8.298 0.812 2.286 1.00 0.00 N ATOM 928 CA VAL A 58 8.816 1.633 3.374 1.00 0.00 C ATOM 929 C VAL A 58 10.336 1.731 3.314 1.00 0.00 C ATOM 930 O VAL A 58 11.027 0.802 2.894 1.00 0.00 O ATOM 931 CB VAL A 58 8.403 1.070 4.747 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.891 0.934 4.836 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.082 -0.268 5.000 1.00 0.00 C ATOM 0 H VAL A 58 8.797 -0.067 2.147 1.00 0.00 H new ATOM 0 HA VAL A 58 8.386 2.627 3.252 1.00 0.00 H new ATOM 0 HB VAL A 58 8.727 1.768 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.618 0.535 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.429 1.912 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.540 0.257 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.779 -0.651 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.790 -0.976 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.164 -0.136 4.982 1.00 0.00 H new ATOM 943 N PRO A 59 10.872 2.883 3.743 1.00 0.00 N ATOM 944 CA PRO A 59 12.317 3.131 3.748 1.00 0.00 C ATOM 945 C PRO A 59 13.045 2.290 4.792 1.00 0.00 C ATOM 946 O PRO A 59 12.494 1.979 5.848 1.00 0.00 O ATOM 947 CB PRO A 59 12.420 4.618 4.093 1.00 0.00 C ATOM 948 CG PRO A 59 11.170 4.921 4.844 1.00 0.00 C ATOM 949 CD PRO A 59 10.109 4.033 4.256 1.00 0.00 C ATOM 0 HA PRO A 59 12.780 2.867 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.304 4.824 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.499 5.228 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.297 4.725 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.899 5.972 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.379 3.728 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.559 4.537 3.461 1.00 0.00 H new ATOM 957 N CYS A 60 14.286 1.925 4.489 1.00 0.00 N ATOM 958 CA CYS A 60 15.091 1.120 5.400 1.00 0.00 C ATOM 959 C CYS A 60 15.066 1.706 6.809 1.00 0.00 C ATOM 960 O CYS A 60 15.280 2.904 7.000 1.00 0.00 O ATOM 961 CB CYS A 60 16.533 1.031 4.898 1.00 0.00 C ATOM 962 SG CYS A 60 17.726 0.477 6.158 1.00 0.00 S ATOM 0 H CYS A 60 14.756 2.174 3.619 1.00 0.00 H new ATOM 0 HA CYS A 60 14.664 0.118 5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.570 0.345 4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.839 2.010 4.529 1.00 0.00 H new ATOM 0 HG CYS A 60 18.798 1.209 6.092 1.00 0.00 H new ATOM 967 N LEU A 61 14.805 0.853 7.794 1.00 0.00 N ATOM 968 CA LEU A 61 14.753 1.285 9.186 1.00 0.00 C ATOM 969 C LEU A 61 15.771 2.389 9.452 1.00 0.00 C ATOM 970 O LEU A 61 15.435 3.437 10.002 1.00 0.00 O ATOM 971 CB LEU A 61 15.013 0.100 10.118 1.00 0.00 C ATOM 972 CG LEU A 61 13.783 -0.704 10.541 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.199 -1.973 11.270 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.869 0.141 11.417 1.00 0.00 C ATOM 0 H LEU A 61 14.626 -0.141 7.654 1.00 0.00 H new ATOM 0 HA LEU A 61 13.756 1.681 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.713 -0.576 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.506 0.471 11.016 1.00 0.00 H new ATOM 0 HG LEU A 61 13.233 -0.989 9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.310 -2.532 11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.813 -2.587 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.772 -1.711 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.999 -0.447 11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.410 0.456 12.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.543 1.020 10.861 1.00 0.00 H new ATOM 986 N ASN A 62 17.016 2.146 9.057 1.00 0.00 N ATOM 987 CA ASN A 62 18.084 3.121 9.252 1.00 0.00 C ATOM 988 C ASN A 62 18.112 4.132 8.109 1.00 0.00 C ATOM 989 O ASN A 62 19.177 4.481 7.602 1.00 0.00 O ATOM 990 CB ASN A 62 19.436 2.413 9.354 1.00 0.00 C ATOM 991 CG ASN A 62 19.611 1.343 8.294 1.00 0.00 C ATOM 992 OD1 ASN A 62 20.105 1.613 7.199 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.205 0.120 8.616 1.00 0.00 N ATOM 0 H ASN A 62 17.311 1.283 8.600 1.00 0.00 H new ATOM 0 HA ASN A 62 17.890 3.655 10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.236 3.148 9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.533 1.961 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.297 -0.641 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 62 18.801 -0.058 9.536 1.00 0.00 H new ATOM 1000 N SER A 63 16.933 4.598 7.710 1.00 0.00 N ATOM 1001 CA SER A 63 16.822 5.567 6.626 1.00 0.00 C ATOM 1002 C SER A 63 17.459 6.897 7.018 1.00 0.00 C ATOM 1003 O SER A 63 18.161 7.520 6.222 1.00 0.00 O ATOM 1004 CB SER A 63 15.353 5.782 6.255 1.00 0.00 C ATOM 1005 OG SER A 63 15.211 6.849 5.333 1.00 0.00 O ATOM 0 H SER A 63 16.042 4.320 8.121 1.00 0.00 H new ATOM 0 HA SER A 63 17.354 5.170 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.946 4.868 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.775 5.995 7.154 1.00 0.00 H new ATOM 0 HG SER A 63 14.264 6.965 5.111 1.00 0.00 H new ATOM 1011 N ASP A 64 17.208 7.325 8.250 1.00 0.00 N ATOM 1012 CA ASP A 64 17.757 8.580 8.750 1.00 0.00 C ATOM 1013 C ASP A 64 19.235 8.707 8.394 1.00 0.00 C ATOM 1014 O ASP A 64 19.696 9.771 7.980 1.00 0.00 O ATOM 1015 CB ASP A 64 17.575 8.673 10.266 1.00 0.00 C ATOM 1016 CG ASP A 64 18.542 9.650 10.906 1.00 0.00 C ATOM 1017 OD1 ASP A 64 19.744 9.320 10.999 1.00 0.00 O ATOM 1018 OD2 ASP A 64 18.098 10.743 11.313 1.00 0.00 O ATOM 0 H ASP A 64 16.628 6.821 8.921 1.00 0.00 H new ATOM 0 HA ASP A 64 17.216 9.399 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.553 8.980 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.715 7.686 10.707 1.00 0.00 H new ATOM 1023 N PHE A 65 19.974 7.614 8.559 1.00 0.00 N ATOM 1024 CA PHE A 65 21.400 7.603 8.257 1.00 0.00 C ATOM 1025 C PHE A 65 21.653 8.008 6.808 1.00 0.00 C ATOM 1026 O PHE A 65 22.651 8.658 6.498 1.00 0.00 O ATOM 1027 CB PHE A 65 21.988 6.215 8.520 1.00 0.00 C ATOM 1028 CG PHE A 65 22.387 5.995 9.952 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.435 6.000 10.958 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.714 5.782 10.290 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.799 5.797 12.276 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.083 5.578 11.606 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.125 5.587 12.601 1.00 0.00 C ATOM 0 H PHE A 65 19.608 6.725 8.900 1.00 0.00 H new ATOM 0 HA PHE A 65 21.889 8.327 8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.256 5.459 8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.860 6.072 7.882 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.397 6.164 10.710 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.468 5.775 9.517 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.047 5.803 13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.120 5.412 11.856 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.412 5.430 13.630 1.00 0.00 H new ATOM 1043 N GLY A 66 20.740 7.619 5.923 1.00 0.00 N ATOM 1044 CA GLY A 66 20.881 7.950 4.517 1.00 0.00 C ATOM 1045 C GLY A 66 20.827 6.725 3.626 1.00 0.00 C ATOM 1046 O GLY A 66 21.553 6.637 2.634 1.00 0.00 O ATOM 0 H GLY A 66 19.905 7.081 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.089 8.641 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.828 8.467 4.362 1.00 0.00 H new ATOM 1050 N CYS A 67 19.967 5.776 3.978 1.00 0.00 N ATOM 1051 CA CYS A 67 19.822 4.549 3.205 1.00 0.00 C ATOM 1052 C CYS A 67 18.694 4.678 2.186 1.00 0.00 C ATOM 1053 O CYS A 67 17.513 4.721 2.532 1.00 0.00 O ATOM 1054 CB CYS A 67 19.552 3.364 4.134 1.00 0.00 C ATOM 1055 SG CYS A 67 20.194 1.774 3.519 1.00 0.00 S ATOM 0 H CYS A 67 19.359 5.833 4.795 1.00 0.00 H new ATOM 0 HA CYS A 67 20.755 4.376 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.997 3.571 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.477 3.274 4.287 1.00 0.00 H new ATOM 0 HG CYS A 67 20.457 0.994 4.525 1.00 0.00 H new ATOM 1060 N PRO A 68 19.063 4.741 0.898 1.00 0.00 N ATOM 1061 CA PRO A 68 18.097 4.865 -0.198 1.00 0.00 C ATOM 1062 C PRO A 68 17.277 3.595 -0.394 1.00 0.00 C ATOM 1063 O PRO A 68 16.253 3.605 -1.078 1.00 0.00 O ATOM 1064 CB PRO A 68 18.980 5.126 -1.421 1.00 0.00 C ATOM 1065 CG PRO A 68 20.297 4.522 -1.073 1.00 0.00 C ATOM 1066 CD PRO A 68 20.453 4.695 0.413 1.00 0.00 C ATOM 0 HA PRO A 68 17.364 5.650 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.560 4.670 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.074 6.193 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.328 3.468 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.107 5.016 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.007 3.868 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.994 5.609 0.657 1.00 0.00 H new ATOM 1074 N PHE A 69 17.732 2.502 0.210 1.00 0.00 N ATOM 1075 CA PHE A 69 17.040 1.224 0.101 1.00 0.00 C ATOM 1076 C PHE A 69 15.598 1.343 0.585 1.00 0.00 C ATOM 1077 O PHE A 69 15.340 1.788 1.704 1.00 0.00 O ATOM 1078 CB PHE A 69 17.774 0.152 0.910 1.00 0.00 C ATOM 1079 CG PHE A 69 19.025 -0.349 0.245 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.219 0.343 0.375 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.007 -1.510 -0.510 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.371 -0.115 -0.235 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.156 -1.973 -1.122 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.340 -1.274 -0.986 1.00 0.00 C ATOM 0 H PHE A 69 18.577 2.476 0.780 1.00 0.00 H new ATOM 0 HA PHE A 69 17.029 0.934 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.030 0.558 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.101 -0.688 1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.249 1.250 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.084 -2.060 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.295 0.433 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.129 -2.881 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.239 -1.633 -1.466 1.00 0.00 H new ATOM 1094 N THR A 70 14.659 0.941 -0.266 1.00 0.00 N ATOM 1095 CA THR A 70 13.243 1.004 0.072 1.00 0.00 C ATOM 1096 C THR A 70 12.528 -0.287 -0.311 1.00 0.00 C ATOM 1097 O THR A 70 12.619 -0.742 -1.450 1.00 0.00 O ATOM 1098 CB THR A 70 12.550 2.189 -0.627 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.955 2.252 -1.999 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.887 3.500 0.067 1.00 0.00 C ATOM 0 H THR A 70 14.854 0.568 -1.195 1.00 0.00 H new ATOM 0 HA THR A 70 13.182 1.143 1.151 1.00 0.00 H new ATOM 0 HB THR A 70 11.472 2.035 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.919 1.355 -2.392 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.386 4.322 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.552 3.460 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.965 3.659 0.040 1.00 0.00 H new ATOM 1108 N MET A 71 11.817 -0.871 0.648 1.00 0.00 N ATOM 1109 CA MET A 71 11.085 -2.109 0.408 1.00 0.00 C ATOM 1110 C MET A 71 9.991 -2.304 1.454 1.00 0.00 C ATOM 1111 O MET A 71 9.802 -1.463 2.332 1.00 0.00 O ATOM 1112 CB MET A 71 12.041 -3.303 0.425 1.00 0.00 C ATOM 1113 CG MET A 71 12.957 -3.331 1.637 1.00 0.00 C ATOM 1114 SD MET A 71 14.502 -2.443 1.361 1.00 0.00 S ATOM 1115 CE MET A 71 14.402 -1.186 2.633 1.00 0.00 C ATOM 0 H MET A 71 11.732 -0.507 1.597 1.00 0.00 H new ATOM 0 HA MET A 71 10.617 -2.041 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.459 -4.224 0.398 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.649 -3.284 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.438 -2.893 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.179 -4.366 1.896 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.224 -0.480 2.513 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.453 -0.656 2.547 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.468 -1.656 3.614 1.00 0.00 H new ATOM 1125 N ALA A 72 9.274 -3.418 1.352 1.00 0.00 N ATOM 1126 CA ALA A 72 8.200 -3.724 2.289 1.00 0.00 C ATOM 1127 C ALA A 72 8.748 -3.968 3.691 1.00 0.00 C ATOM 1128 O ALA A 72 9.880 -4.423 3.855 1.00 0.00 O ATOM 1129 CB ALA A 72 7.411 -4.934 1.812 1.00 0.00 C ATOM 0 H ALA A 72 9.417 -4.124 0.630 1.00 0.00 H new ATOM 0 HA ALA A 72 7.533 -2.863 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.613 -5.151 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.980 -4.724 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.075 -5.795 1.739 1.00 0.00 H new ATOM 1135 N ARG A 73 7.939 -3.661 4.700 1.00 0.00 N ATOM 1136 CA ARG A 73 8.345 -3.845 6.088 1.00 0.00 C ATOM 1137 C ARG A 73 8.721 -5.299 6.356 1.00 0.00 C ATOM 1138 O ARG A 73 9.658 -5.581 7.102 1.00 0.00 O ATOM 1139 CB ARG A 73 7.220 -3.416 7.032 1.00 0.00 C ATOM 1140 CG ARG A 73 7.274 -1.946 7.415 1.00 0.00 C ATOM 1141 CD ARG A 73 5.950 -1.472 7.993 1.00 0.00 C ATOM 1142 NE ARG A 73 5.644 -2.121 9.266 1.00 0.00 N ATOM 1143 CZ ARG A 73 4.787 -1.630 10.154 1.00 0.00 C ATOM 1144 NH1 ARG A 73 4.153 -0.491 9.909 1.00 0.00 N ATOM 1145 NH2 ARG A 73 4.562 -2.278 11.289 1.00 0.00 N ATOM 0 H ARG A 73 6.999 -3.284 4.582 1.00 0.00 H new ATOM 0 HA ARG A 73 9.220 -3.222 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.261 -3.624 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.267 -4.021 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.068 -1.788 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.524 -1.349 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.983 -0.392 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.150 -1.675 7.281 1.00 0.00 H new ATOM 0 HE ARG A 73 6.114 -2.999 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.323 0.010 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.495 -0.116 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.047 -3.154 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.904 -1.900 11.970 1.00 0.00 H new ATOM 1159 N ASN A 74 7.983 -6.219 5.743 1.00 0.00 N ATOM 1160 CA ASN A 74 8.239 -7.644 5.916 1.00 0.00 C ATOM 1161 C ASN A 74 9.396 -8.101 5.033 1.00 0.00 C ATOM 1162 O ASN A 74 9.664 -9.296 4.909 1.00 0.00 O ATOM 1163 CB ASN A 74 6.982 -8.453 5.587 1.00 0.00 C ATOM 1164 CG ASN A 74 7.224 -9.948 5.648 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.953 -10.435 6.513 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.613 -10.685 4.728 1.00 0.00 N ATOM 0 H ASN A 74 7.203 -6.003 5.122 1.00 0.00 H new ATOM 0 HA ASN A 74 8.511 -7.814 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.189 -8.187 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.631 -8.185 4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.739 -11.697 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.018 -10.239 4.030 1.00 0.00 H new ATOM 1173 N LYS A 75 10.081 -7.140 4.422 1.00 0.00 N ATOM 1174 CA LYS A 75 11.212 -7.441 3.552 1.00 0.00 C ATOM 1175 C LYS A 75 12.468 -6.714 4.020 1.00 0.00 C ATOM 1176 O LYS A 75 13.587 -7.156 3.760 1.00 0.00 O ATOM 1177 CB LYS A 75 10.890 -7.047 2.108 1.00 0.00 C ATOM 1178 CG LYS A 75 10.176 -8.135 1.326 1.00 0.00 C ATOM 1179 CD LYS A 75 8.784 -8.397 1.878 1.00 0.00 C ATOM 1180 CE LYS A 75 7.863 -8.978 0.816 1.00 0.00 C ATOM 1181 NZ LYS A 75 7.595 -8.004 -0.278 1.00 0.00 N ATOM 0 H LYS A 75 9.872 -6.146 4.513 1.00 0.00 H new ATOM 0 HA LYS A 75 11.397 -8.514 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.271 -6.150 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.817 -6.791 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.104 -7.843 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.761 -9.054 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.849 -9.085 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.361 -7.467 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.313 -9.879 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.921 -9.276 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.570 -7.943 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.958 -7.068 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.070 -8.320 -1.148 1.00 0.00 H new ATOM 1195 N VAL A 76 12.275 -5.596 4.714 1.00 0.00 N ATOM 1196 CA VAL A 76 13.393 -4.809 5.221 1.00 0.00 C ATOM 1197 C VAL A 76 14.459 -5.705 5.842 1.00 0.00 C ATOM 1198 O VAL A 76 15.651 -5.536 5.587 1.00 0.00 O ATOM 1199 CB VAL A 76 12.926 -3.783 6.270 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.116 -3.216 7.029 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.126 -2.671 5.608 1.00 0.00 C ATOM 0 H VAL A 76 11.355 -5.215 4.938 1.00 0.00 H new ATOM 0 HA VAL A 76 13.819 -4.279 4.369 1.00 0.00 H new ATOM 0 HB VAL A 76 12.278 -4.290 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.767 -2.493 7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.643 -4.024 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.792 -2.724 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.804 -1.955 6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.748 -2.165 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.252 -3.096 5.115 1.00 0.00 H new ATOM 1211 N ALA A 77 14.021 -6.658 6.657 1.00 0.00 N ATOM 1212 CA ALA A 77 14.938 -7.583 7.312 1.00 0.00 C ATOM 1213 C ALA A 77 16.027 -8.050 6.352 1.00 0.00 C ATOM 1214 O ALA A 77 17.202 -7.731 6.531 1.00 0.00 O ATOM 1215 CB ALA A 77 14.176 -8.776 7.869 1.00 0.00 C ATOM 0 H ALA A 77 13.037 -6.810 6.880 1.00 0.00 H new ATOM 0 HA ALA A 77 15.419 -7.056 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.873 -9.458 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.440 -8.431 8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.668 -9.295 7.056 1.00 0.00 H new ATOM 1221 N GLU A 78 15.628 -8.806 5.334 1.00 0.00 N ATOM 1222 CA GLU A 78 16.571 -9.317 4.347 1.00 0.00 C ATOM 1223 C GLU A 78 17.621 -8.264 4.001 1.00 0.00 C ATOM 1224 O GLU A 78 18.821 -8.539 4.019 1.00 0.00 O ATOM 1225 CB GLU A 78 15.833 -9.752 3.080 1.00 0.00 C ATOM 1226 CG GLU A 78 15.249 -11.152 3.166 1.00 0.00 C ATOM 1227 CD GLU A 78 13.839 -11.164 3.723 1.00 0.00 C ATOM 1228 OE1 GLU A 78 12.921 -10.690 3.022 1.00 0.00 O ATOM 1229 OE2 GLU A 78 13.654 -11.645 4.861 1.00 0.00 O ATOM 0 H GLU A 78 14.658 -9.078 5.172 1.00 0.00 H new ATOM 0 HA GLU A 78 17.076 -10.181 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.029 -9.044 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.520 -9.705 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.247 -11.602 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.889 -11.770 3.795 1.00 0.00 H new ATOM 1236 N HIS A 79 17.159 -7.058 3.687 1.00 0.00 N ATOM 1237 CA HIS A 79 18.057 -5.963 3.337 1.00 0.00 C ATOM 1238 C HIS A 79 18.991 -5.634 4.497 1.00 0.00 C ATOM 1239 O HIS A 79 20.206 -5.535 4.321 1.00 0.00 O ATOM 1240 CB HIS A 79 17.254 -4.722 2.946 1.00 0.00 C ATOM 1241 CG HIS A 79 18.042 -3.451 3.018 1.00 0.00 C ATOM 1242 ND1 HIS A 79 17.917 -2.376 3.831 1.00 0.00 N flip ATOM 1243 CD2 HIS A 79 19.105 -3.176 2.184 1.00 0.00 C flip ATOM 1244 CE1 HIS A 79 18.897 -1.482 3.478 1.00 0.00 C flip ATOM 1245 NE2 HIS A 79 19.601 -1.988 2.482 1.00 0.00 N flip ATOM 0 H HIS A 79 16.169 -6.814 3.668 1.00 0.00 H new ATOM 0 HA HIS A 79 18.661 -6.279 2.486 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.876 -4.849 1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.387 -4.640 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.475 -3.830 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.065 -0.520 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.392 -1.539 2.021 1.00 0.00 H new ATOM 1253 N LEU A 80 18.416 -5.466 5.683 1.00 0.00 N ATOM 1254 CA LEU A 80 19.197 -5.147 6.873 1.00 0.00 C ATOM 1255 C LEU A 80 20.419 -6.053 6.982 1.00 0.00 C ATOM 1256 O LEU A 80 21.489 -5.620 7.409 1.00 0.00 O ATOM 1257 CB LEU A 80 18.332 -5.286 8.127 1.00 0.00 C ATOM 1258 CG LEU A 80 17.362 -4.137 8.405 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.359 -4.533 9.477 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.122 -2.886 8.819 1.00 0.00 C ATOM 0 H LEU A 80 17.412 -5.545 5.846 1.00 0.00 H new ATOM 0 HA LEU A 80 19.539 -4.116 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.757 -6.209 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.991 -5.395 8.988 1.00 0.00 H new ATOM 0 HG LEU A 80 16.815 -3.919 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.677 -3.703 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.792 -5.401 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.888 -4.779 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.416 -2.079 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.696 -3.091 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.800 -2.591 8.018 1.00 0.00 H new ATOM 1272 N GLU A 81 20.253 -7.312 6.589 1.00 0.00 N ATOM 1273 CA GLU A 81 21.343 -8.279 6.641 1.00 0.00 C ATOM 1274 C GLU A 81 22.550 -7.780 5.852 1.00 0.00 C ATOM 1275 O GLU A 81 23.696 -8.019 6.233 1.00 0.00 O ATOM 1276 CB GLU A 81 20.883 -9.630 6.091 1.00 0.00 C ATOM 1277 CG GLU A 81 19.768 -10.270 6.902 1.00 0.00 C ATOM 1278 CD GLU A 81 20.284 -11.018 8.115 1.00 0.00 C ATOM 1279 OE1 GLU A 81 20.967 -10.392 8.953 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.005 -12.230 8.227 1.00 0.00 O ATOM 0 H GLU A 81 19.374 -7.686 6.231 1.00 0.00 H new ATOM 0 HA GLU A 81 21.637 -8.401 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.544 -9.498 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.735 -10.309 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.070 -9.498 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.210 -10.957 6.266 1.00 0.00 H new ATOM 1287 N MET A 82 22.283 -7.087 4.750 1.00 0.00 N ATOM 1288 CA MET A 82 23.347 -6.554 3.907 1.00 0.00 C ATOM 1289 C MET A 82 23.302 -5.029 3.873 1.00 0.00 C ATOM 1290 O MET A 82 23.868 -4.401 2.978 1.00 0.00 O ATOM 1291 CB MET A 82 23.229 -7.110 2.486 1.00 0.00 C ATOM 1292 CG MET A 82 21.965 -6.669 1.764 1.00 0.00 C ATOM 1293 SD MET A 82 22.103 -6.815 -0.027 1.00 0.00 S ATOM 1294 CE MET A 82 20.497 -7.496 -0.435 1.00 0.00 C ATOM 0 H MET A 82 21.340 -6.881 4.420 1.00 0.00 H new ATOM 0 HA MET A 82 24.302 -6.863 4.333 1.00 0.00 H new ATOM 0 HB2 MET A 82 24.097 -6.794 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.253 -8.199 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.125 -7.271 2.110 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.745 -5.634 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.428 -7.644 -1.513 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.368 -8.452 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.717 -6.806 -0.113 1.00 0.00 H new ATOM 1304 N CYS A 83 22.627 -4.440 4.854 1.00 0.00 N ATOM 1305 CA CYS A 83 22.507 -2.990 4.937 1.00 0.00 C ATOM 1306 C CYS A 83 23.752 -2.377 5.573 1.00 0.00 C ATOM 1307 O CYS A 83 24.206 -2.796 6.637 1.00 0.00 O ATOM 1308 CB CYS A 83 21.266 -2.605 5.745 1.00 0.00 C ATOM 1309 SG CYS A 83 21.138 -0.824 6.109 1.00 0.00 S ATOM 0 H CYS A 83 22.154 -4.945 5.603 1.00 0.00 H new ATOM 0 HA CYS A 83 22.408 -2.600 3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.377 -2.918 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.272 -3.157 6.685 1.00 0.00 H new ATOM 0 HG CYS A 83 19.891 -0.459 6.058 1.00 0.00 H new ATOM 1314 N PRO A 84 24.317 -1.360 4.906 1.00 0.00 N ATOM 1315 CA PRO A 84 25.515 -0.666 5.387 1.00 0.00 C ATOM 1316 C PRO A 84 25.240 0.173 6.630 1.00 0.00 C ATOM 1317 O PRO A 84 25.963 0.085 7.622 1.00 0.00 O ATOM 1318 CB PRO A 84 25.902 0.232 4.209 1.00 0.00 C ATOM 1319 CG PRO A 84 24.628 0.456 3.469 1.00 0.00 C ATOM 1320 CD PRO A 84 23.828 -0.808 3.631 1.00 0.00 C ATOM 0 HA PRO A 84 26.298 -1.363 5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.331 1.173 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.649 -0.246 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.089 1.314 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.819 0.665 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.758 -0.605 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.995 -1.498 2.804 1.00 0.00 H new ATOM 1328 N ALA A 85 24.191 0.986 6.569 1.00 0.00 N ATOM 1329 CA ALA A 85 23.819 1.839 7.691 1.00 0.00 C ATOM 1330 C ALA A 85 23.566 1.014 8.948 1.00 0.00 C ATOM 1331 O ALA A 85 23.605 1.535 10.062 1.00 0.00 O ATOM 1332 CB ALA A 85 22.589 2.663 7.342 1.00 0.00 C ATOM 0 H ALA A 85 23.583 1.072 5.754 1.00 0.00 H new ATOM 0 HA ALA A 85 24.650 2.514 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.322 3.295 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.804 3.288 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.758 1.996 7.111 1.00 0.00 H new ATOM 1338 N SER A 86 23.307 -0.276 8.761 1.00 0.00 N ATOM 1339 CA SER A 86 23.043 -1.173 9.880 1.00 0.00 C ATOM 1340 C SER A 86 24.328 -1.847 10.351 1.00 0.00 C ATOM 1341 O SER A 86 24.342 -3.039 10.656 1.00 0.00 O ATOM 1342 CB SER A 86 22.015 -2.233 9.480 1.00 0.00 C ATOM 1343 OG SER A 86 21.250 -2.650 10.598 1.00 0.00 O ATOM 0 H SER A 86 23.274 -0.724 7.845 1.00 0.00 H new ATOM 0 HA SER A 86 22.642 -0.580 10.702 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.354 -1.831 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.525 -3.092 9.044 1.00 0.00 H new ATOM 0 HG SER A 86 21.845 -3.030 11.278 1.00 0.00 H new