USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 655 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 79 TYR OH : rot -20:sc= 1.23 USER MOD Set 1.2: B 118 HIS : no HD1:sc= 0.142 K(o=1.4,f=-4.8!) USER MOD Set 2.1: A 23 THR OG1 : rot 124:sc= 1.34 USER MOD Set 2.2: A 25 SER OG : rot -127:sc= 2.45 USER MOD Single : A 15 ASN : amide:sc= -0.056 K(o=-0.056,f=-2!) USER MOD Single : A 16 TYR OH : rot 60:sc= -1.49 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -78:sc= 0.444 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0.972 (180deg=0.968) USER MOD Single : A 24 MET CE :methyl -158:sc= -0.16 (180deg=-0.728) USER MOD Single : A 30 GLN : amide:sc= 1.08 K(o=1.1,f=-6.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -2.16! C(o=-2.2!,f=-2.4!) USER MOD Single : A 40 HIS : +bothHN:sc= -5.68! C(o=-5.7!,f=-6.2!) USER MOD Single : A 42 TYR OH : rot -110:sc= -1.11 USER MOD Single : A 45 SER OG : rot 180:sc= -0.986 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 0.643 (180deg=-0.26) USER MOD Single : A 49 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.9) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0.33 (180deg=0.244) USER MOD Single : A 51 ASN : amide:sc= 0.331 K(o=0.33,f=-1.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0827) USER MOD Single : A 55 ASN : amide:sc= -1.22! C(o=-1.2!,f=-5.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.25 K(o=0.25,f=-5.5!) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.589 USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.253 USER MOD Single : A 74 ASN : amide:sc=-0.000317 X(o=-0.00032,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 LYS NZ :NH3+ 169:sc= 2.3 (180deg=2.03) USER MOD Single : B 115 ASN : amide:sc= 1.17 K(o=1.2,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.354 9.536 3.394 1.00 0.00 N ATOM 180 CA GLY A 13 -4.039 8.553 2.390 1.00 0.00 C ATOM 181 C GLY A 13 -4.984 7.391 2.453 1.00 0.00 C ATOM 182 O GLY A 13 -5.190 6.680 1.476 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.087 9.011 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.017 8.202 2.530 1.00 0.00 H new ATOM 186 N GLU A 14 -5.543 7.199 3.620 1.00 0.00 N ATOM 187 CA GLU A 14 -6.539 6.191 3.859 1.00 0.00 C ATOM 188 C GLU A 14 -7.782 6.574 3.096 1.00 0.00 C ATOM 189 O GLU A 14 -8.434 5.750 2.465 1.00 0.00 O ATOM 190 CB GLU A 14 -6.876 6.156 5.337 1.00 0.00 C ATOM 191 CG GLU A 14 -5.688 5.945 6.238 1.00 0.00 C ATOM 192 CD GLU A 14 -6.088 5.964 7.660 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.692 4.971 8.129 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.849 6.965 8.344 1.00 0.00 O ATOM 0 H GLU A 14 -5.313 7.751 4.446 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.169 5.216 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.362 7.093 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.598 5.359 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.214 4.992 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.947 6.723 6.055 1.00 0.00 H new ATOM 201 N ASN A 15 -8.054 7.868 3.125 1.00 0.00 N ATOM 202 CA ASN A 15 -9.215 8.454 2.487 1.00 0.00 C ATOM 203 C ASN A 15 -8.972 8.681 1.003 1.00 0.00 C ATOM 204 O ASN A 15 -9.798 9.289 0.308 1.00 0.00 O ATOM 205 CB ASN A 15 -9.568 9.796 3.148 1.00 0.00 C ATOM 206 CG ASN A 15 -10.008 9.711 4.581 1.00 0.00 C ATOM 207 OD1 ASN A 15 -9.607 8.824 5.338 1.00 0.00 O ATOM 208 ND2 ASN A 15 -10.791 10.655 4.983 1.00 0.00 N ATOM 0 H ASN A 15 -7.463 8.550 3.601 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.043 7.755 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.698 10.450 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.361 10.269 2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.098 10.684 5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.103 11.372 4.328 1.00 0.00 H new ATOM 215 N TYR A 16 -7.851 8.198 0.510 1.00 0.00 N ATOM 216 CA TYR A 16 -7.518 8.377 -0.871 1.00 0.00 C ATOM 217 C TYR A 16 -8.122 7.278 -1.711 1.00 0.00 C ATOM 218 O TYR A 16 -7.792 6.104 -1.554 1.00 0.00 O ATOM 219 CB TYR A 16 -5.997 8.447 -1.098 1.00 0.00 C ATOM 220 CG TYR A 16 -5.620 8.607 -2.563 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.904 9.780 -3.241 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.019 7.570 -3.271 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.600 9.924 -4.572 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.713 7.702 -4.613 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.006 8.885 -5.259 1.00 0.00 C ATOM 226 OH TYR A 16 -4.725 9.026 -6.603 1.00 0.00 O ATOM 0 H TYR A 16 -7.160 7.679 1.052 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.939 9.334 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.589 9.283 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.535 7.541 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.373 10.597 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.788 6.646 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.826 10.850 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.249 6.887 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.112 9.780 -6.732 1.00 0.00 H new ATOM 236 N ASP A 17 -9.015 7.653 -2.573 1.00 0.00 N ATOM 237 CA ASP A 17 -9.585 6.728 -3.515 1.00 0.00 C ATOM 238 C ASP A 17 -9.477 7.338 -4.888 1.00 0.00 C ATOM 239 O ASP A 17 -10.438 7.872 -5.451 1.00 0.00 O ATOM 240 CB ASP A 17 -11.025 6.352 -3.163 1.00 0.00 C ATOM 241 CG ASP A 17 -11.604 5.299 -4.083 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.045 4.189 -4.167 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.656 5.550 -4.710 1.00 0.00 O ATOM 0 H ASP A 17 -9.372 8.606 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.031 5.790 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.059 5.988 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.648 7.245 -3.205 1.00 0.00 H new ATOM 248 N GLY A 18 -8.261 7.391 -5.345 1.00 0.00 N ATOM 249 CA GLY A 18 -7.947 7.975 -6.611 1.00 0.00 C ATOM 250 C GLY A 18 -7.527 6.935 -7.595 1.00 0.00 C ATOM 251 O GLY A 18 -7.391 5.769 -7.237 1.00 0.00 O ATOM 0 H GLY A 18 -7.452 7.026 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.816 8.511 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.149 8.707 -6.489 1.00 0.00 H new ATOM 255 N LYS A 19 -7.294 7.338 -8.821 1.00 0.00 N ATOM 256 CA LYS A 19 -6.920 6.381 -9.847 1.00 0.00 C ATOM 257 C LYS A 19 -5.392 6.268 -10.011 1.00 0.00 C ATOM 258 O LYS A 19 -4.905 5.656 -10.979 1.00 0.00 O ATOM 259 CB LYS A 19 -7.594 6.674 -11.216 1.00 0.00 C ATOM 260 CG LYS A 19 -6.992 7.811 -12.053 1.00 0.00 C ATOM 261 CD LYS A 19 -7.193 9.184 -11.434 1.00 0.00 C ATOM 262 CE LYS A 19 -6.630 10.287 -12.320 1.00 0.00 C ATOM 263 NZ LYS A 19 -6.876 11.635 -11.757 1.00 0.00 N ATOM 0 H LYS A 19 -7.354 8.307 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.293 5.418 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.565 5.761 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.644 6.904 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.925 7.631 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.441 7.799 -13.046 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.256 9.357 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.709 9.218 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.558 10.138 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.080 10.221 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.476 12.355 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.900 11.789 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.425 11.709 -10.823 1.00 0.00 H new ATOM 277 N ILE A 20 -4.627 6.830 -9.080 1.00 0.00 N ATOM 278 CA ILE A 20 -3.201 6.692 -9.151 1.00 0.00 C ATOM 279 C ILE A 20 -2.765 5.280 -8.877 1.00 0.00 C ATOM 280 O ILE A 20 -2.947 4.723 -7.783 1.00 0.00 O ATOM 281 CB ILE A 20 -2.412 7.773 -8.374 1.00 0.00 C ATOM 282 CG1 ILE A 20 -2.152 8.925 -9.313 1.00 0.00 C ATOM 283 CG2 ILE A 20 -1.103 7.243 -7.833 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.590 10.169 -8.652 1.00 0.00 C ATOM 0 H ILE A 20 -4.974 7.372 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.927 6.896 -10.186 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.003 8.093 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.458 8.596 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.085 9.186 -9.813 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.584 8.036 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.299 6.413 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.481 6.897 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.436 10.943 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.291 10.529 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.639 9.930 -8.177 1.00 0.00 H new ATOM 296 N SER A 21 -2.259 4.718 -9.911 1.00 0.00 N ATOM 297 CA SER A 21 -1.869 3.355 -9.966 1.00 0.00 C ATOM 298 C SER A 21 -0.376 3.207 -10.193 1.00 0.00 C ATOM 299 O SER A 21 0.131 2.098 -10.416 1.00 0.00 O ATOM 300 CB SER A 21 -2.663 2.730 -11.091 1.00 0.00 C ATOM 301 OG SER A 21 -2.942 3.705 -12.110 1.00 0.00 O ATOM 0 H SER A 21 -2.097 5.218 -10.785 1.00 0.00 H new ATOM 0 HA SER A 21 -2.073 2.856 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.105 1.897 -11.519 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.597 2.323 -10.703 1.00 0.00 H new ATOM 0 HG SER A 21 -3.677 4.283 -11.817 1.00 0.00 H new ATOM 307 N LYS A 22 0.332 4.311 -10.138 1.00 0.00 N ATOM 308 CA LYS A 22 1.763 4.279 -10.357 1.00 0.00 C ATOM 309 C LYS A 22 2.464 4.799 -9.126 1.00 0.00 C ATOM 310 O LYS A 22 1.942 5.690 -8.460 1.00 0.00 O ATOM 311 CB LYS A 22 2.135 5.062 -11.617 1.00 0.00 C ATOM 312 CG LYS A 22 1.372 4.567 -12.838 1.00 0.00 C ATOM 313 CD LYS A 22 1.773 5.275 -14.105 1.00 0.00 C ATOM 314 CE LYS A 22 0.820 4.923 -15.240 1.00 0.00 C ATOM 315 NZ LYS A 22 0.764 3.472 -15.534 1.00 0.00 N ATOM 0 H LYS A 22 -0.053 5.236 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 22 2.091 3.253 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.925 6.120 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.206 4.972 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.541 3.497 -12.957 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.303 4.705 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.771 6.353 -13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.791 4.996 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.180 5.273 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.126 5.457 -16.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.111 3.303 -16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.713 3.133 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.428 2.960 -14.693 1.00 0.00 H new ATOM 329 N THR A 23 3.641 4.284 -8.834 1.00 0.00 N ATOM 330 CA THR A 23 4.296 4.572 -7.575 1.00 0.00 C ATOM 331 C THR A 23 5.047 5.892 -7.660 1.00 0.00 C ATOM 332 O THR A 23 4.970 6.578 -8.677 1.00 0.00 O ATOM 333 CB THR A 23 5.266 3.429 -7.239 1.00 0.00 C ATOM 334 OG1 THR A 23 6.208 3.291 -8.315 1.00 0.00 O ATOM 335 CG2 THR A 23 4.501 2.119 -7.068 1.00 0.00 C ATOM 0 H THR A 23 4.164 3.663 -9.452 1.00 0.00 H new ATOM 0 HA THR A 23 3.547 4.656 -6.788 1.00 0.00 H new ATOM 0 HB THR A 23 5.785 3.658 -6.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.120 3.367 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.200 1.318 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.779 2.222 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.977 1.880 -7.993 1.00 0.00 H new ATOM 343 N MET A 24 5.787 6.256 -6.618 1.00 0.00 N ATOM 344 CA MET A 24 6.564 7.463 -6.668 1.00 0.00 C ATOM 345 C MET A 24 7.737 7.302 -7.626 1.00 0.00 C ATOM 346 O MET A 24 8.245 8.270 -8.172 1.00 0.00 O ATOM 347 CB MET A 24 7.001 7.947 -5.279 1.00 0.00 C ATOM 348 CG MET A 24 7.947 7.086 -4.495 1.00 0.00 C ATOM 349 SD MET A 24 8.388 7.888 -2.935 1.00 0.00 S ATOM 350 CE MET A 24 9.673 6.811 -2.324 1.00 0.00 C ATOM 0 H MET A 24 5.857 5.733 -5.745 1.00 0.00 H new ATOM 0 HA MET A 24 5.921 8.252 -7.057 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.463 8.927 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.103 8.089 -4.678 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.487 6.118 -4.296 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.847 6.897 -5.081 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.765 6.931 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.420 5.776 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.620 7.067 -2.800 1.00 0.00 H new ATOM 360 N SER A 25 8.121 6.059 -7.868 1.00 0.00 N ATOM 361 CA SER A 25 9.115 5.749 -8.848 1.00 0.00 C ATOM 362 C SER A 25 8.470 5.596 -10.239 1.00 0.00 C ATOM 363 O SER A 25 9.149 5.313 -11.225 1.00 0.00 O ATOM 364 CB SER A 25 9.803 4.480 -8.415 1.00 0.00 C ATOM 365 OG SER A 25 8.847 3.592 -7.827 1.00 0.00 O ATOM 0 H SER A 25 7.744 5.245 -7.383 1.00 0.00 H new ATOM 0 HA SER A 25 9.845 6.554 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.279 4.002 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.591 4.708 -7.698 1.00 0.00 H new ATOM 0 HG SER A 25 9.165 3.306 -6.946 1.00 0.00 H new ATOM 371 N GLY A 26 7.143 5.770 -10.286 1.00 0.00 N ATOM 372 CA GLY A 26 6.389 5.682 -11.519 1.00 0.00 C ATOM 373 C GLY A 26 6.269 4.279 -12.025 1.00 0.00 C ATOM 374 O GLY A 26 6.082 4.052 -13.220 1.00 0.00 O ATOM 0 H GLY A 26 6.573 5.975 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.392 6.093 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.870 6.298 -12.279 1.00 0.00 H new ATOM 378 N LEU A 27 6.404 3.343 -11.135 1.00 0.00 N ATOM 379 CA LEU A 27 6.266 1.965 -11.467 1.00 0.00 C ATOM 380 C LEU A 27 4.817 1.609 -11.421 1.00 0.00 C ATOM 381 O LEU A 27 4.028 2.308 -10.795 1.00 0.00 O ATOM 382 CB LEU A 27 7.037 1.107 -10.489 1.00 0.00 C ATOM 383 CG LEU A 27 8.572 1.214 -10.546 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.211 0.449 -9.403 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.089 0.677 -11.866 1.00 0.00 C ATOM 0 H LEU A 27 6.614 3.519 -10.153 1.00 0.00 H new ATOM 0 HA LEU A 27 6.665 1.788 -12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.714 1.364 -9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.761 0.066 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 27 8.838 2.267 -10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.295 0.540 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.867 0.859 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.931 -0.602 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.176 0.759 -11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.802 -0.369 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.662 1.254 -12.686 1.00 0.00 H new ATOM 397 N GLU A 28 4.473 0.546 -12.045 1.00 0.00 N ATOM 398 CA GLU A 28 3.100 0.144 -12.121 1.00 0.00 C ATOM 399 C GLU A 28 2.763 -0.630 -10.858 1.00 0.00 C ATOM 400 O GLU A 28 3.514 -1.551 -10.459 1.00 0.00 O ATOM 401 CB GLU A 28 2.890 -0.748 -13.335 1.00 0.00 C ATOM 402 CG GLU A 28 1.457 -0.812 -13.822 1.00 0.00 C ATOM 403 CD GLU A 28 1.051 0.470 -14.507 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.406 0.651 -15.691 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.381 1.326 -13.893 1.00 0.00 O ATOM 0 H GLU A 28 5.126 -0.077 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 28 2.457 1.020 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.522 -0.390 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.224 -1.757 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.343 -1.647 -14.513 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.793 -1.002 -12.979 1.00 0.00 H new ATOM 412 N CYS A 29 1.700 -0.262 -10.208 1.00 0.00 N ATOM 413 CA CYS A 29 1.298 -0.966 -9.027 1.00 0.00 C ATOM 414 C CYS A 29 0.610 -2.266 -9.367 1.00 0.00 C ATOM 415 O CYS A 29 -0.014 -2.407 -10.432 1.00 0.00 O ATOM 416 CB CYS A 29 0.429 -0.108 -8.094 1.00 0.00 C ATOM 417 SG CYS A 29 -0.279 -1.014 -6.664 1.00 0.00 S ATOM 0 H CYS A 29 1.098 0.517 -10.473 1.00 0.00 H new ATOM 0 HA CYS A 29 2.212 -1.199 -8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.029 0.722 -7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.387 0.324 -8.674 1.00 0.00 H new ATOM 422 N GLN A 30 0.770 -3.199 -8.480 1.00 0.00 N ATOM 423 CA GLN A 30 0.175 -4.501 -8.545 1.00 0.00 C ATOM 424 C GLN A 30 -1.139 -4.446 -7.772 1.00 0.00 C ATOM 425 O GLN A 30 -1.163 -4.001 -6.626 1.00 0.00 O ATOM 426 CB GLN A 30 1.126 -5.532 -7.910 1.00 0.00 C ATOM 427 CG GLN A 30 0.563 -6.940 -7.819 1.00 0.00 C ATOM 428 CD GLN A 30 1.487 -7.910 -7.104 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.717 -7.805 -7.154 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.905 -8.849 -6.409 1.00 0.00 N ATOM 0 H GLN A 30 1.347 -3.068 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.009 -4.796 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.049 -5.561 -8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.389 -5.195 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.394 -6.909 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.366 -7.311 -8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.113 -8.911 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.468 -9.521 -5.888 1.00 0.00 H new ATOM 439 N ALA A 31 -2.203 -4.888 -8.402 1.00 0.00 N ATOM 440 CA ALA A 31 -3.527 -4.861 -7.824 1.00 0.00 C ATOM 441 C ALA A 31 -3.587 -5.607 -6.508 1.00 0.00 C ATOM 442 O ALA A 31 -3.058 -6.708 -6.379 1.00 0.00 O ATOM 443 CB ALA A 31 -4.527 -5.459 -8.799 1.00 0.00 C ATOM 0 H ALA A 31 -2.173 -5.282 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.778 -3.819 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.524 -5.436 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.526 -4.880 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.250 -6.491 -9.017 1.00 0.00 H new ATOM 449 N TRP A 32 -4.253 -4.998 -5.544 1.00 0.00 N ATOM 450 CA TRP A 32 -4.410 -5.537 -4.207 1.00 0.00 C ATOM 451 C TRP A 32 -5.076 -6.914 -4.251 1.00 0.00 C ATOM 452 O TRP A 32 -4.752 -7.799 -3.455 1.00 0.00 O ATOM 453 CB TRP A 32 -5.255 -4.585 -3.348 1.00 0.00 C ATOM 454 CG TRP A 32 -4.707 -3.185 -3.220 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.168 -2.063 -3.845 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.605 -2.757 -2.408 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.423 -0.975 -3.480 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.455 -1.372 -2.607 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.730 -3.407 -1.539 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.467 -0.629 -1.971 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.754 -2.664 -0.907 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.630 -1.291 -1.128 1.00 0.00 C ATOM 0 H TRP A 32 -4.710 -4.095 -5.672 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.419 -5.641 -3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.257 -4.529 -3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.355 -5.012 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.002 -2.037 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.569 -0.020 -3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.814 -4.469 -1.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.368 0.433 -2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.072 -3.154 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.852 -0.742 -0.618 1.00 0.00 H new ATOM 473 N ASP A 33 -5.938 -7.091 -5.238 1.00 0.00 N ATOM 474 CA ASP A 33 -6.724 -8.316 -5.431 1.00 0.00 C ATOM 475 C ASP A 33 -5.891 -9.388 -6.157 1.00 0.00 C ATOM 476 O ASP A 33 -6.295 -10.546 -6.282 1.00 0.00 O ATOM 477 CB ASP A 33 -7.987 -7.971 -6.254 1.00 0.00 C ATOM 478 CG ASP A 33 -8.991 -9.111 -6.374 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.862 -9.245 -5.491 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.954 -9.876 -7.363 1.00 0.00 O ATOM 0 H ASP A 33 -6.121 -6.379 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.013 -8.718 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.481 -7.114 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.681 -7.665 -7.255 1.00 0.00 H new ATOM 485 N SER A 34 -4.722 -9.008 -6.605 1.00 0.00 N ATOM 486 CA SER A 34 -3.863 -9.890 -7.338 1.00 0.00 C ATOM 487 C SER A 34 -2.582 -10.132 -6.531 1.00 0.00 C ATOM 488 O SER A 34 -1.801 -9.220 -6.292 1.00 0.00 O ATOM 489 CB SER A 34 -3.545 -9.257 -8.700 1.00 0.00 C ATOM 490 OG SER A 34 -2.812 -10.135 -9.538 1.00 0.00 O ATOM 0 H SER A 34 -4.341 -8.072 -6.469 1.00 0.00 H new ATOM 0 HA SER A 34 -4.352 -10.850 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.475 -8.976 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.975 -8.340 -8.549 1.00 0.00 H new ATOM 0 HG SER A 34 -2.632 -9.695 -10.395 1.00 0.00 H new ATOM 496 N GLN A 35 -2.371 -11.345 -6.100 1.00 0.00 N ATOM 497 CA GLN A 35 -1.209 -11.678 -5.291 1.00 0.00 C ATOM 498 C GLN A 35 -0.101 -12.273 -6.135 1.00 0.00 C ATOM 499 O GLN A 35 0.773 -12.975 -5.645 1.00 0.00 O ATOM 500 CB GLN A 35 -1.607 -12.590 -4.147 1.00 0.00 C ATOM 501 CG GLN A 35 -2.601 -11.920 -3.220 1.00 0.00 C ATOM 502 CD GLN A 35 -2.978 -12.726 -2.009 1.00 0.00 C ATOM 503 OE1 GLN A 35 -4.077 -12.596 -1.506 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.090 -13.543 -1.535 1.00 0.00 N ATOM 0 H GLN A 35 -2.989 -12.133 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.813 -10.759 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.041 -13.507 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.719 -12.877 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.184 -10.969 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.506 -11.693 -3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.179 -13.623 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.303 -14.105 -0.711 1.00 0.00 H new ATOM 513 N SER A 36 -0.111 -11.921 -7.376 1.00 0.00 N ATOM 514 CA SER A 36 0.861 -12.348 -8.310 1.00 0.00 C ATOM 515 C SER A 36 1.375 -11.096 -9.016 1.00 0.00 C ATOM 516 O SER A 36 0.585 -10.307 -9.513 1.00 0.00 O ATOM 517 CB SER A 36 0.218 -13.323 -9.309 1.00 0.00 C ATOM 518 OG SER A 36 1.164 -13.821 -10.242 1.00 0.00 O ATOM 0 H SER A 36 -0.821 -11.308 -7.776 1.00 0.00 H new ATOM 0 HA SER A 36 1.686 -12.871 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.231 -14.155 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.588 -12.818 -9.842 1.00 0.00 H new ATOM 0 HG SER A 36 0.720 -14.439 -10.860 1.00 0.00 H new ATOM 524 N PRO A 37 2.690 -10.865 -9.002 1.00 0.00 N ATOM 525 CA PRO A 37 3.679 -11.892 -8.610 1.00 0.00 C ATOM 526 C PRO A 37 3.985 -11.842 -7.111 1.00 0.00 C ATOM 527 O PRO A 37 4.335 -12.849 -6.495 1.00 0.00 O ATOM 528 CB PRO A 37 4.926 -11.454 -9.381 1.00 0.00 C ATOM 529 CG PRO A 37 4.784 -9.977 -9.425 1.00 0.00 C ATOM 530 CD PRO A 37 3.345 -9.750 -9.727 1.00 0.00 C ATOM 0 HA PRO A 37 3.333 -12.904 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.842 -11.757 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.956 -11.887 -10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.067 -9.523 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.424 -9.539 -10.191 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.003 -8.778 -9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.143 -9.787 -10.798 1.00 0.00 H new ATOM 538 N HIS A 38 3.841 -10.668 -6.538 1.00 0.00 N ATOM 539 CA HIS A 38 4.208 -10.448 -5.169 1.00 0.00 C ATOM 540 C HIS A 38 3.146 -10.836 -4.175 1.00 0.00 C ATOM 541 O HIS A 38 2.019 -10.270 -4.155 1.00 0.00 O ATOM 542 CB HIS A 38 4.712 -9.036 -4.951 1.00 0.00 C ATOM 543 CG HIS A 38 6.001 -8.797 -5.653 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.125 -7.958 -6.720 1.00 0.00 N ATOM 545 CD2 HIS A 38 7.221 -9.358 -5.476 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.350 -8.025 -7.176 1.00 0.00 C ATOM 547 NE2 HIS A 38 8.036 -8.859 -6.440 1.00 0.00 N ATOM 0 H HIS A 38 3.467 -9.845 -7.011 1.00 0.00 H new ATOM 0 HA HIS A 38 5.033 -11.132 -4.972 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.967 -8.325 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.840 -8.856 -3.884 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.382 -7.372 -7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.494 -10.069 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.733 -7.478 -8.025 1.00 0.00 H new ATOM 556 N ALA A 39 3.519 -11.792 -3.359 1.00 0.00 N ATOM 557 CA ALA A 39 2.722 -12.336 -2.303 1.00 0.00 C ATOM 558 C ALA A 39 2.445 -11.269 -1.271 1.00 0.00 C ATOM 559 O ALA A 39 3.336 -10.466 -0.926 1.00 0.00 O ATOM 560 CB ALA A 39 3.476 -13.493 -1.670 1.00 0.00 C ATOM 0 H ALA A 39 4.438 -12.230 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 39 1.771 -12.692 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.880 -13.918 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.666 -14.259 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.424 -13.134 -1.270 1.00 0.00 H new ATOM 566 N HIS A 40 1.232 -11.237 -0.778 1.00 0.00 N ATOM 567 CA HIS A 40 0.847 -10.234 0.189 1.00 0.00 C ATOM 568 C HIS A 40 -0.465 -10.606 0.814 1.00 0.00 C ATOM 569 O HIS A 40 -1.326 -11.134 0.138 1.00 0.00 O ATOM 570 CB HIS A 40 0.749 -8.827 -0.454 1.00 0.00 C ATOM 571 CG HIS A 40 -0.354 -8.632 -1.451 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.249 -8.892 -2.788 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.595 -8.193 -1.265 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.404 -8.611 -3.355 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.226 -8.186 -2.452 1.00 0.00 N ATOM 0 H HIS A 40 0.493 -11.893 -1.029 1.00 0.00 H new ATOM 0 HA HIS A 40 1.620 -10.195 0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.625 -8.094 0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.697 -8.607 -0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.581 -9.243 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.024 -7.893 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.629 -8.718 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.190 -7.895 -2.613 1.00 0.00 H new ATOM 584 N GLY A 41 -0.649 -10.269 2.052 1.00 0.00 N ATOM 585 CA GLY A 41 -1.864 -10.616 2.720 1.00 0.00 C ATOM 586 C GLY A 41 -2.901 -9.538 2.636 1.00 0.00 C ATOM 587 O GLY A 41 -3.551 -9.224 3.628 1.00 0.00 O ATOM 0 H GLY A 41 0.025 -9.755 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.263 -11.532 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.650 -10.827 3.768 1.00 0.00 H new ATOM 591 N TYR A 42 -3.082 -8.962 1.476 1.00 0.00 N ATOM 592 CA TYR A 42 -4.110 -7.972 1.357 1.00 0.00 C ATOM 593 C TYR A 42 -5.225 -8.507 0.609 1.00 0.00 C ATOM 594 O TYR A 42 -5.267 -8.453 -0.619 1.00 0.00 O ATOM 595 CB TYR A 42 -3.688 -6.597 0.841 1.00 0.00 C ATOM 596 CG TYR A 42 -2.930 -5.786 1.841 1.00 0.00 C ATOM 597 CD1 TYR A 42 -1.560 -5.904 1.984 1.00 0.00 C ATOM 598 CD2 TYR A 42 -3.602 -4.888 2.656 1.00 0.00 C ATOM 599 CE1 TYR A 42 -0.895 -5.145 2.914 1.00 0.00 C ATOM 600 CE2 TYR A 42 -2.937 -4.136 3.581 1.00 0.00 C ATOM 601 CZ TYR A 42 -1.601 -4.264 3.706 1.00 0.00 C ATOM 602 OH TYR A 42 -0.958 -3.511 4.628 1.00 0.00 O ATOM 0 H TYR A 42 -2.549 -9.155 0.628 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.406 -7.757 2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.073 -6.726 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.577 -6.044 0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.011 -6.596 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.672 -4.781 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.175 -5.237 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.478 -3.443 4.209 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.194 -3.822 5.527 1.00 0.00 H new ATOM 612 N ILE A 43 -6.036 -9.164 1.332 1.00 0.00 N ATOM 613 CA ILE A 43 -7.256 -9.655 0.812 1.00 0.00 C ATOM 614 C ILE A 43 -8.219 -8.451 0.853 1.00 0.00 C ATOM 615 O ILE A 43 -8.439 -7.878 1.926 1.00 0.00 O ATOM 616 CB ILE A 43 -7.769 -10.792 1.732 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.613 -11.772 2.077 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.910 -11.540 1.065 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.056 -12.556 0.907 1.00 0.00 C ATOM 0 H ILE A 43 -5.876 -9.383 2.315 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.161 -10.058 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.138 -10.348 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.801 -11.204 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.969 -12.477 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.259 -12.335 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.729 -10.850 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.562 -11.973 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.256 -13.209 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.848 -13.158 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.663 -11.866 0.161 1.00 0.00 H new ATOM 631 N PRO A 44 -8.814 -8.053 -0.283 1.00 0.00 N ATOM 632 CA PRO A 44 -9.631 -6.826 -0.362 1.00 0.00 C ATOM 633 C PRO A 44 -10.967 -6.921 0.363 1.00 0.00 C ATOM 634 O PRO A 44 -11.626 -5.908 0.603 1.00 0.00 O ATOM 635 CB PRO A 44 -9.857 -6.629 -1.868 1.00 0.00 C ATOM 636 CG PRO A 44 -8.890 -7.551 -2.533 1.00 0.00 C ATOM 637 CD PRO A 44 -8.717 -8.704 -1.598 1.00 0.00 C ATOM 0 HA PRO A 44 -9.120 -5.996 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.883 -6.867 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.679 -5.594 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.269 -7.885 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.939 -7.052 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.490 -9.460 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.757 -9.201 -1.737 1.00 0.00 H new ATOM 645 N SER A 45 -11.348 -8.110 0.729 1.00 0.00 N ATOM 646 CA SER A 45 -12.605 -8.343 1.372 1.00 0.00 C ATOM 647 C SER A 45 -12.516 -8.087 2.882 1.00 0.00 C ATOM 648 O SER A 45 -13.506 -7.711 3.523 1.00 0.00 O ATOM 649 CB SER A 45 -13.006 -9.772 1.079 1.00 0.00 C ATOM 650 OG SER A 45 -11.892 -10.618 1.289 1.00 0.00 O ATOM 0 H SER A 45 -10.789 -8.951 0.588 1.00 0.00 H new ATOM 0 HA SER A 45 -13.358 -7.654 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.832 -10.071 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.357 -9.861 0.051 1.00 0.00 H new ATOM 0 HG SER A 45 -12.146 -11.546 1.102 1.00 0.00 H new ATOM 656 N LYS A 46 -11.324 -8.262 3.445 1.00 0.00 N ATOM 657 CA LYS A 46 -11.146 -8.115 4.854 1.00 0.00 C ATOM 658 C LYS A 46 -10.860 -6.675 5.238 1.00 0.00 C ATOM 659 O LYS A 46 -10.931 -6.312 6.406 1.00 0.00 O ATOM 660 CB LYS A 46 -10.071 -9.064 5.354 1.00 0.00 C ATOM 661 CG LYS A 46 -8.649 -8.759 4.916 1.00 0.00 C ATOM 662 CD LYS A 46 -7.672 -9.847 5.369 1.00 0.00 C ATOM 663 CE LYS A 46 -7.513 -9.915 6.892 1.00 0.00 C ATOM 664 NZ LYS A 46 -6.645 -11.046 7.302 1.00 0.00 N ATOM 0 H LYS A 46 -10.477 -8.506 2.932 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.082 -8.383 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.100 -9.070 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.323 -10.071 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.614 -8.668 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.340 -7.798 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.018 -10.813 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.698 -9.664 4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.088 -8.979 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.493 -10.022 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.151 -10.803 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.228 -11.894 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.946 -11.236 6.555 1.00 0.00 H new ATOM 678 N PHE A 47 -10.530 -5.867 4.260 1.00 0.00 N ATOM 679 CA PHE A 47 -10.317 -4.439 4.494 1.00 0.00 C ATOM 680 C PHE A 47 -11.257 -3.634 3.592 1.00 0.00 C ATOM 681 O PHE A 47 -10.845 -3.113 2.550 1.00 0.00 O ATOM 682 CB PHE A 47 -8.855 -4.013 4.244 1.00 0.00 C ATOM 683 CG PHE A 47 -7.830 -4.864 4.957 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.779 -4.903 6.341 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.920 -5.620 4.235 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.844 -5.683 6.992 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.981 -6.401 4.882 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.943 -6.432 6.261 1.00 0.00 C ATOM 0 H PHE A 47 -10.401 -6.162 3.292 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.533 -4.238 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.657 -4.047 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.732 -2.977 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.479 -4.316 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.945 -5.599 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.817 -5.707 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.278 -6.987 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.209 -7.041 6.768 1.00 0.00 H new ATOM 698 N PRO A 48 -12.544 -3.544 3.955 1.00 0.00 N ATOM 699 CA PRO A 48 -13.557 -2.906 3.107 1.00 0.00 C ATOM 700 C PRO A 48 -13.505 -1.373 3.161 1.00 0.00 C ATOM 701 O PRO A 48 -13.512 -0.687 2.128 1.00 0.00 O ATOM 702 CB PRO A 48 -14.867 -3.425 3.706 1.00 0.00 C ATOM 703 CG PRO A 48 -14.566 -3.645 5.148 1.00 0.00 C ATOM 704 CD PRO A 48 -13.128 -4.065 5.221 1.00 0.00 C ATOM 0 HA PRO A 48 -13.419 -3.142 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.674 -2.704 3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -15.184 -4.349 3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.734 -2.735 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.217 -4.412 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.631 -3.643 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.030 -5.148 5.291 1.00 0.00 H new ATOM 712 N ASN A 49 -13.370 -0.863 4.358 1.00 0.00 N ATOM 713 CA ASN A 49 -13.407 0.557 4.655 1.00 0.00 C ATOM 714 C ASN A 49 -12.194 1.331 4.131 1.00 0.00 C ATOM 715 O ASN A 49 -12.131 2.542 4.265 1.00 0.00 O ATOM 716 CB ASN A 49 -13.583 0.756 6.165 1.00 0.00 C ATOM 717 CG ASN A 49 -12.482 0.103 6.986 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.555 -1.093 7.289 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.502 0.864 7.398 1.00 0.00 N ATOM 0 H ASN A 49 -13.226 -1.441 5.186 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.262 0.974 4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.607 1.823 6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.546 0.347 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.767 0.474 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.472 1.847 7.129 1.00 0.00 H new ATOM 726 N LYS A 50 -11.237 0.646 3.540 1.00 0.00 N ATOM 727 CA LYS A 50 -10.091 1.308 2.968 1.00 0.00 C ATOM 728 C LYS A 50 -10.254 1.427 1.456 1.00 0.00 C ATOM 729 O LYS A 50 -9.489 2.131 0.798 1.00 0.00 O ATOM 730 CB LYS A 50 -8.832 0.511 3.281 1.00 0.00 C ATOM 731 CG LYS A 50 -8.544 0.326 4.766 1.00 0.00 C ATOM 732 CD LYS A 50 -8.413 1.655 5.495 1.00 0.00 C ATOM 733 CE LYS A 50 -8.069 1.432 6.953 1.00 0.00 C ATOM 734 NZ LYS A 50 -8.016 2.683 7.734 1.00 0.00 N ATOM 0 H LYS A 50 -11.233 -0.370 3.445 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.008 2.306 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.916 -0.472 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.980 1.009 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.345 -0.258 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.624 -0.246 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.640 2.261 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.347 2.212 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.808 0.765 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.105 0.928 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.945 2.457 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.186 3.238 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.880 3.236 7.562 1.00 0.00 H new ATOM 748 N ASN A 51 -11.295 0.770 0.947 1.00 0.00 N ATOM 749 CA ASN A 51 -11.584 0.624 -0.491 1.00 0.00 C ATOM 750 C ASN A 51 -10.368 0.086 -1.187 1.00 0.00 C ATOM 751 O ASN A 51 -9.754 0.751 -2.006 1.00 0.00 O ATOM 752 CB ASN A 51 -12.027 1.915 -1.190 1.00 0.00 C ATOM 753 CG ASN A 51 -12.952 1.599 -2.363 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.740 0.643 -2.308 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.852 2.339 -3.428 1.00 0.00 N ATOM 0 H ASN A 51 -11.986 0.308 1.537 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.429 -0.062 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.540 2.563 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.153 2.461 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.430 2.139 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.196 3.120 -3.447 1.00 0.00 H new ATOM 762 N LEU A 52 -9.972 -1.083 -0.798 1.00 0.00 N ATOM 763 CA LEU A 52 -8.782 -1.681 -1.314 1.00 0.00 C ATOM 764 C LEU A 52 -9.064 -2.240 -2.711 1.00 0.00 C ATOM 765 O LEU A 52 -9.385 -3.417 -2.866 1.00 0.00 O ATOM 766 CB LEU A 52 -8.315 -2.769 -0.354 1.00 0.00 C ATOM 767 CG LEU A 52 -6.836 -3.077 -0.357 1.00 0.00 C ATOM 768 CD1 LEU A 52 -6.041 -1.878 0.147 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.552 -4.288 0.490 1.00 0.00 C ATOM 0 H LEU A 52 -10.466 -1.652 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.986 -0.942 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.602 -2.479 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.856 -3.686 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.529 -3.289 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.978 -2.117 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.226 -1.021 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.351 -1.638 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.482 -4.498 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.873 -4.099 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.094 -5.146 0.092 1.00 0.00 H new ATOM 781 N LYS A 53 -9.036 -1.372 -3.713 1.00 0.00 N ATOM 782 CA LYS A 53 -9.401 -1.785 -5.055 1.00 0.00 C ATOM 783 C LYS A 53 -8.310 -1.538 -6.064 1.00 0.00 C ATOM 784 O LYS A 53 -7.531 -0.588 -5.949 1.00 0.00 O ATOM 785 CB LYS A 53 -10.684 -1.100 -5.532 1.00 0.00 C ATOM 786 CG LYS A 53 -11.939 -1.263 -4.651 1.00 0.00 C ATOM 787 CD LYS A 53 -12.758 -2.527 -4.959 1.00 0.00 C ATOM 788 CE LYS A 53 -12.067 -3.830 -4.596 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.908 -4.995 -4.928 1.00 0.00 N ATOM 0 H LYS A 53 -8.768 -0.392 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.566 -2.860 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.480 -0.034 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.919 -1.477 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.635 -1.285 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.577 -0.389 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.705 -2.471 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.995 -2.540 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.118 -3.901 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.837 -3.837 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.408 -5.869 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.803 -4.938 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.107 -5.000 -5.949 1.00 0.00 H new ATOM 803 N LYS A 54 -8.348 -2.360 -7.101 1.00 0.00 N ATOM 804 CA LYS A 54 -7.396 -2.374 -8.197 1.00 0.00 C ATOM 805 C LYS A 54 -5.949 -2.228 -7.728 1.00 0.00 C ATOM 806 O LYS A 54 -5.560 -2.794 -6.711 1.00 0.00 O ATOM 807 CB LYS A 54 -7.786 -1.338 -9.257 1.00 0.00 C ATOM 808 CG LYS A 54 -9.170 -1.588 -9.801 1.00 0.00 C ATOM 809 CD LYS A 54 -9.457 -0.784 -11.045 1.00 0.00 C ATOM 810 CE LYS A 54 -10.844 -1.091 -11.556 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.904 -0.544 -10.682 1.00 0.00 N ATOM 0 H LYS A 54 -9.076 -3.066 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.442 -3.358 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.741 -0.339 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.064 -1.364 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.283 -2.649 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.907 -1.343 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.369 0.280 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.719 -1.014 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.957 -0.680 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.967 -2.171 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.827 -0.647 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.913 -1.063 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.719 0.463 -10.500 1.00 0.00 H new ATOM 825 N ASN A 55 -5.173 -1.519 -8.481 1.00 0.00 N ATOM 826 CA ASN A 55 -3.775 -1.294 -8.205 1.00 0.00 C ATOM 827 C ASN A 55 -3.577 0.173 -7.835 1.00 0.00 C ATOM 828 O ASN A 55 -2.559 0.784 -8.135 1.00 0.00 O ATOM 829 CB ASN A 55 -2.968 -1.639 -9.464 1.00 0.00 C ATOM 830 CG ASN A 55 -3.275 -0.721 -10.648 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.415 -0.270 -10.838 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.276 -0.411 -11.419 1.00 0.00 N ATOM 0 H ASN A 55 -5.496 -1.062 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.438 -1.919 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.904 -1.580 -9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.175 -2.670 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.417 0.220 -12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.351 -0.799 -11.236 1.00 0.00 H new ATOM 839 N TYR A 56 -4.558 0.728 -7.181 1.00 0.00 N ATOM 840 CA TYR A 56 -4.510 2.110 -6.796 1.00 0.00 C ATOM 841 C TYR A 56 -3.865 2.271 -5.440 1.00 0.00 C ATOM 842 O TYR A 56 -4.222 1.545 -4.493 1.00 0.00 O ATOM 843 CB TYR A 56 -5.907 2.702 -6.834 1.00 0.00 C ATOM 844 CG TYR A 56 -6.553 2.662 -8.197 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.813 2.878 -9.360 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.907 2.407 -8.327 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.405 2.831 -10.596 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.504 2.364 -9.565 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.744 2.573 -10.695 1.00 0.00 C ATOM 850 OH TYR A 56 -8.324 2.506 -11.930 1.00 0.00 O ATOM 0 H TYR A 56 -5.408 0.239 -6.901 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.891 2.658 -7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.538 2.163 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.861 3.737 -6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.756 3.086 -9.285 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.504 2.239 -7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.817 2.997 -11.486 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.562 2.168 -9.651 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.280 2.314 -11.832 1.00 0.00 H new ATOM 860 N CYS A 57 -2.936 3.223 -5.348 1.00 0.00 N ATOM 861 CA CYS A 57 -2.160 3.463 -4.133 1.00 0.00 C ATOM 862 C CYS A 57 -3.062 3.793 -2.982 1.00 0.00 C ATOM 863 O CYS A 57 -3.861 4.719 -3.056 1.00 0.00 O ATOM 864 CB CYS A 57 -1.189 4.621 -4.315 1.00 0.00 C ATOM 865 SG CYS A 57 -0.017 4.463 -5.695 1.00 0.00 S ATOM 0 H CYS A 57 -2.701 3.851 -6.117 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.605 2.547 -3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.766 5.535 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.621 4.742 -3.393 1.00 0.00 H new ATOM 870 N ARG A 58 -2.931 3.062 -1.920 1.00 0.00 N ATOM 871 CA ARG A 58 -3.766 3.261 -0.774 1.00 0.00 C ATOM 872 C ARG A 58 -2.901 3.328 0.465 1.00 0.00 C ATOM 873 O ARG A 58 -1.690 3.082 0.397 1.00 0.00 O ATOM 874 CB ARG A 58 -4.799 2.108 -0.630 1.00 0.00 C ATOM 875 CG ARG A 58 -5.794 1.942 -1.732 1.00 0.00 C ATOM 876 CD ARG A 58 -6.481 3.242 -2.075 1.00 0.00 C ATOM 877 NE ARG A 58 -7.741 3.070 -2.818 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.990 2.311 -3.898 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.100 1.464 -4.363 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.155 2.407 -4.498 1.00 0.00 N ATOM 0 H ARG A 58 -2.246 2.313 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.314 4.195 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.249 1.172 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.347 2.259 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.292 1.553 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.540 1.204 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.685 3.789 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.802 3.856 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.536 3.602 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.195 1.371 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.314 0.899 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.860 3.053 -4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.355 1.835 -5.319 1.00 0.00 H new ATOM 894 N ASN A 59 -3.503 3.692 1.560 1.00 0.00 N ATOM 895 CA ASN A 59 -2.854 3.661 2.869 1.00 0.00 C ATOM 896 C ASN A 59 -3.819 2.998 3.837 1.00 0.00 C ATOM 897 O ASN A 59 -4.596 3.657 4.504 1.00 0.00 O ATOM 898 CB ASN A 59 -2.426 5.081 3.360 1.00 0.00 C ATOM 899 CG ASN A 59 -1.799 5.103 4.766 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.240 4.120 5.231 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.848 6.249 5.425 1.00 0.00 N ATOM 0 H ASN A 59 -4.467 4.024 1.586 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.926 3.092 2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.712 5.498 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.299 5.733 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.413 6.328 6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.321 7.054 5.014 1.00 0.00 H new ATOM 908 N PRO A 60 -3.888 1.666 3.810 1.00 0.00 N ATOM 909 CA PRO A 60 -4.809 0.917 4.655 1.00 0.00 C ATOM 910 C PRO A 60 -4.220 0.600 6.028 1.00 0.00 C ATOM 911 O PRO A 60 -4.901 0.661 7.058 1.00 0.00 O ATOM 912 CB PRO A 60 -4.998 -0.374 3.847 1.00 0.00 C ATOM 913 CG PRO A 60 -3.679 -0.593 3.166 1.00 0.00 C ATOM 914 CD PRO A 60 -3.088 0.772 2.919 1.00 0.00 C ATOM 0 HA PRO A 60 -5.727 1.466 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.254 -1.213 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.806 -0.273 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.017 -1.195 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.812 -1.133 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.027 0.801 3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.177 1.064 1.873 1.00 0.00 H new ATOM 922 N ASP A 61 -2.959 0.332 6.007 1.00 0.00 N ATOM 923 CA ASP A 61 -2.172 -0.155 7.112 1.00 0.00 C ATOM 924 C ASP A 61 -1.746 0.947 8.041 1.00 0.00 C ATOM 925 O ASP A 61 -1.326 0.683 9.169 1.00 0.00 O ATOM 926 CB ASP A 61 -0.943 -0.862 6.543 1.00 0.00 C ATOM 927 CG ASP A 61 -0.043 0.054 5.703 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.569 0.854 4.926 1.00 0.00 O ATOM 929 OD2 ASP A 61 1.181 -0.105 5.749 1.00 0.00 O ATOM 0 H ASP A 61 -2.402 0.453 5.161 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.783 -0.841 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.359 -1.277 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.269 -1.701 5.928 1.00 0.00 H new ATOM 934 N ARG A 62 -1.840 2.159 7.563 1.00 0.00 N ATOM 935 CA ARG A 62 -1.472 3.339 8.309 1.00 0.00 C ATOM 936 C ARG A 62 0.014 3.472 8.483 1.00 0.00 C ATOM 937 O ARG A 62 0.555 3.362 9.601 1.00 0.00 O ATOM 938 CB ARG A 62 -2.232 3.544 9.642 1.00 0.00 C ATOM 939 CG ARG A 62 -3.679 3.950 9.472 1.00 0.00 C ATOM 940 CD ARG A 62 -4.344 4.235 10.811 1.00 0.00 C ATOM 941 NE ARG A 62 -5.670 4.837 10.623 1.00 0.00 N ATOM 942 CZ ARG A 62 -6.443 5.364 11.579 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.092 5.279 12.859 1.00 0.00 N ATOM 944 NH2 ARG A 62 -7.581 5.958 11.246 1.00 0.00 N ATOM 0 H ARG A 62 -2.182 2.361 6.623 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.807 4.160 7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.191 2.619 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.718 4.307 10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.737 4.837 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.222 3.157 8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.438 3.309 11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.716 4.906 11.397 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.037 4.855 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.226 4.808 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.689 5.685 13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.861 6.011 10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.176 6.362 11.969 1.00 0.00 H new ATOM 958 N ASP A 63 0.689 3.563 7.374 1.00 0.00 N ATOM 959 CA ASP A 63 2.072 3.940 7.371 1.00 0.00 C ATOM 960 C ASP A 63 2.091 5.484 7.285 1.00 0.00 C ATOM 961 O ASP A 63 1.062 6.119 7.537 1.00 0.00 O ATOM 962 CB ASP A 63 2.821 3.285 6.198 1.00 0.00 C ATOM 963 CG ASP A 63 4.317 3.420 6.356 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.900 2.641 7.125 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.926 4.330 5.763 1.00 0.00 O ATOM 0 H ASP A 63 0.298 3.379 6.450 1.00 0.00 H new ATOM 0 HA ASP A 63 2.585 3.599 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.554 2.230 6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.509 3.747 5.261 1.00 0.00 H new ATOM 970 N LEU A 64 3.186 6.095 6.934 1.00 0.00 N ATOM 971 CA LEU A 64 3.252 7.550 6.952 1.00 0.00 C ATOM 972 C LEU A 64 2.803 8.155 5.628 1.00 0.00 C ATOM 973 O LEU A 64 2.450 9.346 5.558 1.00 0.00 O ATOM 974 CB LEU A 64 4.661 8.030 7.316 1.00 0.00 C ATOM 975 CG LEU A 64 5.208 7.562 8.673 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.619 8.085 8.889 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.297 8.005 9.812 1.00 0.00 C ATOM 0 H LEU A 64 4.041 5.627 6.634 1.00 0.00 H new ATOM 0 HA LEU A 64 2.560 7.894 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.348 7.698 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.666 9.120 7.302 1.00 0.00 H new ATOM 0 HG LEU A 64 5.238 6.472 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.990 7.743 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.270 7.713 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.610 9.175 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.707 7.661 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.227 9.093 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.304 7.579 9.670 1.00 0.00 H new ATOM 989 N ARG A 65 2.792 7.349 4.599 1.00 0.00 N ATOM 990 CA ARG A 65 2.423 7.788 3.270 1.00 0.00 C ATOM 991 C ARG A 65 1.846 6.614 2.493 1.00 0.00 C ATOM 992 O ARG A 65 2.319 5.495 2.660 1.00 0.00 O ATOM 993 CB ARG A 65 3.667 8.341 2.524 1.00 0.00 C ATOM 994 CG ARG A 65 3.415 8.638 1.048 1.00 0.00 C ATOM 995 CD ARG A 65 4.678 8.979 0.282 1.00 0.00 C ATOM 996 NE ARG A 65 5.221 10.291 0.607 1.00 0.00 N ATOM 997 CZ ARG A 65 5.622 11.182 -0.304 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.481 10.918 -1.606 1.00 0.00 N ATOM 999 NH2 ARG A 65 6.152 12.323 0.083 1.00 0.00 N ATOM 0 H ARG A 65 3.040 6.361 4.655 1.00 0.00 H new ATOM 0 HA ARG A 65 1.678 8.579 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.000 9.254 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.480 7.620 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.940 7.772 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.713 9.468 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.434 8.221 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.467 8.937 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 65 5.300 10.545 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.067 10.035 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.788 11.599 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.256 12.526 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.459 13.004 -0.611 1.00 0.00 H new ATOM 1013 N PRO A 66 0.784 6.850 1.671 1.00 0.00 N ATOM 1014 CA PRO A 66 0.233 5.841 0.764 1.00 0.00 C ATOM 1015 C PRO A 66 1.299 5.199 -0.093 1.00 0.00 C ATOM 1016 O PRO A 66 2.293 5.840 -0.509 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.713 6.634 -0.116 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.190 7.698 0.775 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.004 8.097 1.611 1.00 0.00 C ATOM 0 HA PRO A 66 -0.241 5.026 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.204 7.040 -0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.534 6.018 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.568 8.546 0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.009 7.345 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.559 8.910 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.303 8.435 2.603 1.00 0.00 H new ATOM 1027 N TRP A 67 1.066 3.993 -0.411 1.00 0.00 N ATOM 1028 CA TRP A 67 2.001 3.192 -1.101 1.00 0.00 C ATOM 1029 C TRP A 67 1.243 2.202 -1.944 1.00 0.00 C ATOM 1030 O TRP A 67 0.000 2.244 -1.977 1.00 0.00 O ATOM 1031 CB TRP A 67 2.940 2.495 -0.090 1.00 0.00 C ATOM 1032 CG TRP A 67 2.219 1.686 0.947 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.724 2.133 2.139 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.917 0.295 0.885 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.115 1.109 2.800 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.223 -0.029 2.055 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.159 -0.707 -0.054 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.768 -1.306 2.312 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.711 -1.973 0.203 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.019 -2.264 1.379 1.00 0.00 C ATOM 0 H TRP A 67 0.192 3.514 -0.194 1.00 0.00 H new ATOM 0 HA TRP A 67 2.628 3.799 -1.755 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.625 1.844 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.547 3.251 0.409 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.803 3.147 2.503 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.653 1.181 3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.691 -0.487 -0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.232 -1.537 3.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.895 -2.759 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.675 -3.273 1.553 1.00 0.00 H new ATOM 1051 N CYS A 68 1.941 1.339 -2.622 1.00 0.00 N ATOM 1052 CA CYS A 68 1.302 0.365 -3.444 1.00 0.00 C ATOM 1053 C CYS A 68 2.310 -0.731 -3.736 1.00 0.00 C ATOM 1054 O CYS A 68 3.528 -0.498 -3.623 1.00 0.00 O ATOM 1055 CB CYS A 68 0.819 1.021 -4.744 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.776 0.402 -5.335 1.00 0.00 S ATOM 0 H CYS A 68 2.960 1.293 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 68 0.433 -0.058 -2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.744 2.097 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.568 0.862 -5.519 1.00 0.00 H new ATOM 1061 N PHE A 69 1.841 -1.914 -4.057 1.00 0.00 N ATOM 1062 CA PHE A 69 2.746 -2.993 -4.392 1.00 0.00 C ATOM 1063 C PHE A 69 3.245 -2.837 -5.811 1.00 0.00 C ATOM 1064 O PHE A 69 2.546 -2.325 -6.655 1.00 0.00 O ATOM 1065 CB PHE A 69 2.092 -4.361 -4.203 1.00 0.00 C ATOM 1066 CG PHE A 69 1.983 -4.801 -2.771 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.105 -5.245 -2.088 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.774 -4.775 -2.108 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.023 -5.653 -0.773 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.684 -5.184 -0.791 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.810 -5.623 -0.123 1.00 0.00 C ATOM 0 H PHE A 69 0.850 -2.154 -4.094 1.00 0.00 H new ATOM 0 HA PHE A 69 3.593 -2.938 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.094 -4.337 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.665 -5.104 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.059 -5.272 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.111 -4.432 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.907 -5.995 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.269 -5.160 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.739 -5.942 0.906 1.00 0.00 H new ATOM 1081 N THR A 70 4.440 -3.236 -6.064 1.00 0.00 N ATOM 1082 CA THR A 70 4.989 -3.142 -7.381 1.00 0.00 C ATOM 1083 C THR A 70 4.816 -4.433 -8.145 1.00 0.00 C ATOM 1084 O THR A 70 5.001 -5.533 -7.599 1.00 0.00 O ATOM 1085 CB THR A 70 6.464 -2.810 -7.303 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.939 -3.164 -6.016 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.735 -1.355 -7.578 1.00 0.00 C ATOM 0 H THR A 70 5.069 -3.637 -5.369 1.00 0.00 H new ATOM 0 HA THR A 70 4.453 -2.352 -7.907 1.00 0.00 H new ATOM 0 HB THR A 70 6.988 -3.378 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.115 -4.128 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.806 -1.165 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.384 -1.102 -8.578 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.211 -0.742 -6.844 1.00 0.00 H new ATOM 1095 N THR A 71 4.466 -4.319 -9.397 1.00 0.00 N ATOM 1096 CA THR A 71 4.365 -5.480 -10.228 1.00 0.00 C ATOM 1097 C THR A 71 5.739 -5.765 -10.870 1.00 0.00 C ATOM 1098 O THR A 71 5.891 -6.701 -11.667 1.00 0.00 O ATOM 1099 CB THR A 71 3.247 -5.324 -11.312 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.022 -6.571 -11.997 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.606 -4.256 -12.332 1.00 0.00 C ATOM 0 H THR A 71 4.247 -3.437 -9.860 1.00 0.00 H new ATOM 0 HA THR A 71 4.076 -6.330 -9.610 1.00 0.00 H new ATOM 0 HB THR A 71 2.337 -5.023 -10.792 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.883 -6.996 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.808 -4.174 -13.070 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.733 -3.298 -11.827 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.536 -4.528 -12.832 1.00 0.00 H new ATOM 1109 N ASP A 72 6.750 -4.980 -10.478 1.00 0.00 N ATOM 1110 CA ASP A 72 8.072 -5.157 -10.994 1.00 0.00 C ATOM 1111 C ASP A 72 8.705 -6.272 -10.218 1.00 0.00 C ATOM 1112 O ASP A 72 8.724 -6.203 -9.009 1.00 0.00 O ATOM 1113 CB ASP A 72 8.886 -3.883 -10.825 1.00 0.00 C ATOM 1114 CG ASP A 72 10.275 -4.040 -11.369 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.172 -4.474 -10.630 1.00 0.00 O ATOM 1116 OD2 ASP A 72 10.503 -3.728 -12.549 1.00 0.00 O ATOM 0 H ASP A 72 6.656 -4.221 -9.803 1.00 0.00 H new ATOM 0 HA ASP A 72 8.036 -5.391 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.385 -3.060 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.936 -3.620 -9.768 1.00 0.00 H new ATOM 1121 N PRO A 73 9.224 -7.310 -10.896 1.00 0.00 N ATOM 1122 CA PRO A 73 9.779 -8.520 -10.254 1.00 0.00 C ATOM 1123 C PRO A 73 10.776 -8.245 -9.126 1.00 0.00 C ATOM 1124 O PRO A 73 10.836 -8.993 -8.144 1.00 0.00 O ATOM 1125 CB PRO A 73 10.480 -9.230 -11.398 1.00 0.00 C ATOM 1126 CG PRO A 73 9.785 -8.796 -12.611 1.00 0.00 C ATOM 1127 CD PRO A 73 9.310 -7.401 -12.368 1.00 0.00 C ATOM 0 HA PRO A 73 8.986 -9.090 -9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.537 -8.966 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.426 -10.312 -11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.453 -8.831 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.946 -9.456 -12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.004 -6.665 -12.774 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.343 -7.220 -12.837 1.00 0.00 H new ATOM 1135 N ASN A 74 11.506 -7.172 -9.244 1.00 0.00 N ATOM 1136 CA ASN A 74 12.526 -6.837 -8.280 1.00 0.00 C ATOM 1137 C ASN A 74 11.948 -6.176 -7.047 1.00 0.00 C ATOM 1138 O ASN A 74 12.365 -6.468 -5.916 1.00 0.00 O ATOM 1139 CB ASN A 74 13.567 -5.933 -8.934 1.00 0.00 C ATOM 1140 CG ASN A 74 14.594 -5.384 -7.974 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.593 -6.034 -7.682 1.00 0.00 O ATOM 1142 ND2 ASN A 74 14.402 -4.166 -7.540 1.00 0.00 N ATOM 0 H ASN A 74 11.414 -6.503 -10.009 1.00 0.00 H new ATOM 0 HA ASN A 74 12.998 -7.763 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.079 -6.493 -9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.057 -5.101 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.096 -3.724 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.558 -3.657 -7.805 1.00 0.00 H new ATOM 1149 N LYS A 75 10.969 -5.340 -7.237 1.00 0.00 N ATOM 1150 CA LYS A 75 10.474 -4.539 -6.146 1.00 0.00 C ATOM 1151 C LYS A 75 9.244 -5.167 -5.519 1.00 0.00 C ATOM 1152 O LYS A 75 8.297 -5.478 -6.222 1.00 0.00 O ATOM 1153 CB LYS A 75 10.098 -3.164 -6.649 1.00 0.00 C ATOM 1154 CG LYS A 75 10.195 -2.093 -5.577 1.00 0.00 C ATOM 1155 CD LYS A 75 11.617 -1.939 -5.034 1.00 0.00 C ATOM 1156 CE LYS A 75 11.617 -1.051 -3.818 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.969 -0.832 -3.261 1.00 0.00 N ATOM 0 H LYS A 75 10.498 -5.193 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 75 11.265 -4.472 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.749 -2.897 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.080 -3.191 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.861 -1.140 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.521 -2.341 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.024 -2.917 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.263 -1.515 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.177 -0.088 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.982 -1.495 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.905 -0.214 -2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.383 -1.745 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.572 -0.382 -3.979 1.00 0.00 H new ATOM 1171 N ARG A 76 9.218 -5.303 -4.205 1.00 0.00 N ATOM 1172 CA ARG A 76 8.044 -5.878 -3.571 1.00 0.00 C ATOM 1173 C ARG A 76 6.975 -4.813 -3.443 1.00 0.00 C ATOM 1174 O ARG A 76 5.827 -5.016 -3.853 1.00 0.00 O ATOM 1175 CB ARG A 76 8.347 -6.496 -2.207 1.00 0.00 C ATOM 1176 CG ARG A 76 7.206 -7.391 -1.729 1.00 0.00 C ATOM 1177 CD ARG A 76 7.490 -8.113 -0.417 1.00 0.00 C ATOM 1178 NE ARG A 76 6.364 -9.012 -0.084 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.225 -9.757 1.028 1.00 0.00 C ATOM 1180 NH1 ARG A 76 7.250 -9.952 1.856 1.00 0.00 N ATOM 1181 NH2 ARG A 76 5.082 -10.398 1.245 1.00 0.00 N ATOM 0 H ARG A 76 9.971 -5.033 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 76 7.692 -6.692 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.266 -7.079 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.519 -5.704 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.308 -6.785 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.992 -8.131 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.413 -8.687 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.637 -7.388 0.383 1.00 0.00 H new ATOM 0 HE ARG A 76 5.612 -9.074 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.158 -9.534 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.127 -10.520 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.319 -10.323 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.967 -10.965 2.085 1.00 0.00 H new ATOM 1195 N TRP A 77 7.362 -3.675 -2.914 1.00 0.00 N ATOM 1196 CA TRP A 77 6.460 -2.531 -2.815 1.00 0.00 C ATOM 1197 C TRP A 77 7.217 -1.224 -2.901 1.00 0.00 C ATOM 1198 O TRP A 77 8.441 -1.197 -2.766 1.00 0.00 O ATOM 1199 CB TRP A 77 5.583 -2.560 -1.542 1.00 0.00 C ATOM 1200 CG TRP A 77 6.323 -2.444 -0.232 1.00 0.00 C ATOM 1201 CD1 TRP A 77 7.028 -3.418 0.419 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.396 -1.279 0.600 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.545 -2.916 1.593 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.171 -1.611 1.722 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.889 0.016 0.496 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.447 -0.700 2.734 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.161 0.917 1.500 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.935 0.557 2.606 1.00 0.00 C ATOM 0 H TRP A 77 8.297 -3.508 -2.542 1.00 0.00 H new ATOM 0 HA TRP A 77 5.787 -2.606 -3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.860 -1.746 -1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.015 -3.490 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.160 -4.430 0.066 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.116 -3.437 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.294 0.307 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.045 -0.977 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.769 1.921 1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.132 1.289 3.375 1.00 0.00 H new ATOM 1219 N GLU A 78 6.478 -0.161 -3.099 1.00 0.00 N ATOM 1220 CA GLU A 78 7.006 1.204 -3.209 1.00 0.00 C ATOM 1221 C GLU A 78 6.024 2.175 -2.616 1.00 0.00 C ATOM 1222 O GLU A 78 4.828 1.870 -2.502 1.00 0.00 O ATOM 1223 CB GLU A 78 7.204 1.608 -4.678 1.00 0.00 C ATOM 1224 CG GLU A 78 8.440 1.075 -5.352 1.00 0.00 C ATOM 1225 CD GLU A 78 9.693 1.833 -4.992 1.00 0.00 C ATOM 1226 OE1 GLU A 78 10.192 1.732 -3.860 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.215 2.552 -5.855 1.00 0.00 O ATOM 0 H GLU A 78 5.463 -0.207 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 78 7.961 1.227 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.334 1.276 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.225 2.696 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.568 0.027 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.300 1.111 -6.432 1.00 0.00 H new ATOM 1234 N TYR A 79 6.505 3.343 -2.273 1.00 0.00 N ATOM 1235 CA TYR A 79 5.662 4.401 -1.820 1.00 0.00 C ATOM 1236 C TYR A 79 5.063 5.085 -3.011 1.00 0.00 C ATOM 1237 O TYR A 79 5.584 4.982 -4.138 1.00 0.00 O ATOM 1238 CB TYR A 79 6.412 5.409 -0.952 1.00 0.00 C ATOM 1239 CG TYR A 79 6.619 4.976 0.476 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.661 5.261 1.434 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.759 4.294 0.871 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.828 4.883 2.744 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.936 3.908 2.184 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.965 4.207 3.116 1.00 0.00 C ATOM 1245 OH TYR A 79 7.127 3.812 4.425 1.00 0.00 O ATOM 0 H TYR A 79 7.497 3.580 -2.303 1.00 0.00 H new ATOM 0 HA TYR A 79 4.879 3.971 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.385 5.604 -1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.864 6.351 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.765 5.791 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.520 4.061 0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.070 5.116 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.828 3.376 2.479 1.00 0.00 H new ATOM 0 HH TYR A 79 6.539 4.343 5.002 1.00 0.00 H new ATOM 1255 N CYS A 80 3.991 5.748 -2.807 1.00 0.00 N ATOM 1256 CA CYS A 80 3.335 6.406 -3.877 1.00 0.00 C ATOM 1257 C CYS A 80 3.443 7.900 -3.643 1.00 0.00 C ATOM 1258 O CYS A 80 3.537 8.340 -2.496 1.00 0.00 O ATOM 1259 CB CYS A 80 1.888 5.968 -3.909 1.00 0.00 C ATOM 1260 SG CYS A 80 1.091 6.155 -5.513 1.00 0.00 S ATOM 0 H CYS A 80 3.541 5.853 -1.898 1.00 0.00 H new ATOM 0 HA CYS A 80 3.791 6.156 -4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.831 4.922 -3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.330 6.543 -3.170 1.00 0.00 H new ATOM 1265 N ASP A 81 3.464 8.676 -4.681 1.00 0.00 N ATOM 1266 CA ASP A 81 3.584 10.105 -4.511 1.00 0.00 C ATOM 1267 C ASP A 81 2.308 10.748 -4.937 1.00 0.00 C ATOM 1268 O ASP A 81 2.048 10.939 -6.131 1.00 0.00 O ATOM 1269 CB ASP A 81 4.770 10.689 -5.271 1.00 0.00 C ATOM 1270 CG ASP A 81 5.059 12.122 -4.874 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.703 12.336 -3.826 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.712 13.050 -5.620 1.00 0.00 O ATOM 0 H ASP A 81 3.401 8.357 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 81 3.772 10.310 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.653 10.078 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.570 10.644 -6.342 1.00 0.00 H new ATOM 1277 N ILE A 82 1.476 10.969 -3.979 1.00 0.00 N ATOM 1278 CA ILE A 82 0.196 11.558 -4.189 1.00 0.00 C ATOM 1279 C ILE A 82 0.313 13.045 -3.914 1.00 0.00 C ATOM 1280 O ILE A 82 1.020 13.426 -2.987 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.815 10.952 -3.176 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.756 9.414 -3.203 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -2.239 11.444 -3.450 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.195 8.783 -4.507 1.00 0.00 C ATOM 0 H ILE A 82 1.670 10.740 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.142 11.374 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.532 11.290 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.266 9.100 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.382 9.027 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.922 11.002 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.271 12.530 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.538 11.150 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.119 7.698 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.228 9.060 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.554 9.135 -5.315 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.515 -5.061 13.441 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.562 -6.003 13.996 1.00 0.00 C ATOM 1496 C ALA B 108 -2.883 -6.761 12.870 1.00 0.00 C ATOM 1497 O ALA B 108 -1.671 -7.018 12.906 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.269 -6.963 14.911 1.00 0.00 C ATOM 0 HA ALA B 108 -2.808 -5.461 14.568 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.549 -7.668 15.325 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.743 -6.410 15.722 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.029 -7.508 14.350 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.677 -7.109 11.879 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.214 -7.791 10.685 1.00 0.00 C ATOM 1506 C GLU B 109 -2.337 -6.827 9.905 1.00 0.00 C ATOM 1507 O GLU B 109 -1.184 -7.134 9.566 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.432 -8.192 9.840 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.115 -9.022 8.617 1.00 0.00 C ATOM 1510 CD GLU B 109 -3.661 -10.404 8.968 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -2.465 -10.613 9.176 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.523 -11.317 9.025 1.00 0.00 O ATOM 0 H GLU B 109 -4.680 -6.923 11.879 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.647 -8.686 10.941 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.125 -8.750 10.470 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.949 -7.287 9.522 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -5.000 -9.083 7.983 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.339 -8.525 8.035 1.00 0.00 H new ATOM 1519 N LEU B 110 -2.890 -5.637 9.679 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.225 -4.550 8.993 1.00 0.00 C ATOM 1521 C LEU B 110 -0.880 -4.268 9.614 1.00 0.00 C ATOM 1522 O LEU B 110 0.093 -4.085 8.912 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.100 -3.298 9.053 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.394 -3.336 8.235 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.270 -2.134 8.540 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.082 -3.381 6.753 1.00 0.00 C ATOM 0 H LEU B 110 -3.837 -5.404 9.978 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.068 -4.837 7.953 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.359 -3.111 10.095 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.506 -2.449 8.715 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.938 -4.239 8.514 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.182 -2.188 7.945 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -5.528 -2.131 9.599 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -4.730 -1.219 8.295 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.012 -3.408 6.186 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.512 -2.495 6.474 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.496 -4.273 6.531 1.00 0.00 H new ATOM 1538 N GLN B 111 -0.840 -4.286 10.937 1.00 0.00 N ATOM 1539 CA GLN B 111 0.370 -4.035 11.699 1.00 0.00 C ATOM 1540 C GLN B 111 1.449 -5.049 11.365 1.00 0.00 C ATOM 1541 O GLN B 111 2.562 -4.675 11.012 1.00 0.00 O ATOM 1542 CB GLN B 111 0.071 -4.078 13.189 1.00 0.00 C ATOM 1543 CG GLN B 111 1.259 -3.792 14.071 1.00 0.00 C ATOM 1544 CD GLN B 111 0.938 -3.961 15.529 1.00 0.00 C ATOM 1545 OE1 GLN B 111 1.091 -5.046 16.088 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.513 -2.905 16.163 1.00 0.00 N ATOM 0 H GLN B 111 -1.657 -4.478 11.517 1.00 0.00 H new ATOM 0 HA GLN B 111 0.734 -3.043 11.431 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -0.713 -3.354 13.411 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.324 -5.063 13.440 1.00 0.00 H new ATOM 0 HG2 GLN B 111 2.078 -4.459 13.802 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.605 -2.774 13.893 1.00 0.00 H new ATOM 0 HE21 GLN B 111 0.399 -2.022 15.665 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.295 -2.961 17.158 1.00 0.00 H new ATOM 1555 N ARG B 112 1.099 -6.314 11.439 1.00 0.00 N ATOM 1556 CA ARG B 112 2.039 -7.411 11.194 1.00 0.00 C ATOM 1557 C ARG B 112 2.534 -7.348 9.776 1.00 0.00 C ATOM 1558 O ARG B 112 3.715 -7.465 9.516 1.00 0.00 O ATOM 1559 CB ARG B 112 1.319 -8.734 11.477 1.00 0.00 C ATOM 1560 CG ARG B 112 2.164 -9.989 11.378 1.00 0.00 C ATOM 1561 CD ARG B 112 2.162 -10.508 9.969 1.00 0.00 C ATOM 1562 NE ARG B 112 3.058 -11.642 9.741 1.00 0.00 N ATOM 1563 CZ ARG B 112 3.548 -11.963 8.529 1.00 0.00 C ATOM 1564 NH1 ARG B 112 3.328 -11.153 7.496 1.00 0.00 N ATOM 1565 NH2 ARG B 112 4.266 -13.070 8.358 1.00 0.00 N ATOM 0 H ARG B 112 0.155 -6.623 11.671 1.00 0.00 H new ATOM 0 HA ARG B 112 2.906 -7.330 11.850 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.894 -8.685 12.479 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.485 -8.826 10.781 1.00 0.00 H new ATOM 0 HG2 ARG B 112 3.185 -9.774 11.692 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.776 -10.751 12.054 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.147 -10.804 9.705 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.443 -9.698 9.296 1.00 0.00 H new ATOM 0 HE ARG B 112 3.324 -12.218 10.540 1.00 0.00 H new ATOM 0 HH11 ARG B 112 2.791 -10.295 7.626 1.00 0.00 H new ATOM 0 HH12 ARG B 112 3.696 -11.390 6.575 1.00 0.00 H new ATOM 0 HH21 ARG B 112 4.450 -13.686 9.150 1.00 0.00 H new ATOM 0 HH22 ARG B 112 4.632 -13.303 7.435 1.00 0.00 H new ATOM 1579 N LEU B 113 1.621 -7.155 8.877 1.00 0.00 N ATOM 1580 CA LEU B 113 1.947 -7.043 7.461 1.00 0.00 C ATOM 1581 C LEU B 113 2.843 -5.821 7.196 1.00 0.00 C ATOM 1582 O LEU B 113 3.753 -5.868 6.368 1.00 0.00 O ATOM 1583 CB LEU B 113 0.665 -6.941 6.625 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.308 -8.119 6.706 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.556 -7.820 5.899 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.344 -9.395 6.208 1.00 0.00 C ATOM 0 H LEU B 113 0.627 -7.069 9.087 1.00 0.00 H new ATOM 0 HA LEU B 113 2.493 -7.940 7.170 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.133 -6.039 6.928 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.950 -6.807 5.581 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.585 -8.263 7.750 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.242 -8.665 5.963 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.041 -6.928 6.296 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.284 -7.652 4.857 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.368 -10.218 6.276 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.651 -9.266 5.170 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.218 -9.620 6.820 1.00 0.00 H new ATOM 1598 N LYS B 114 2.586 -4.745 7.903 1.00 0.00 N ATOM 1599 CA LYS B 114 3.328 -3.510 7.747 1.00 0.00 C ATOM 1600 C LYS B 114 4.729 -3.705 8.286 1.00 0.00 C ATOM 1601 O LYS B 114 5.695 -3.306 7.662 1.00 0.00 O ATOM 1602 CB LYS B 114 2.555 -2.408 8.458 1.00 0.00 C ATOM 1603 CG LYS B 114 2.914 -0.975 8.143 1.00 0.00 C ATOM 1604 CD LYS B 114 1.865 -0.051 8.733 1.00 0.00 C ATOM 1605 CE LYS B 114 1.973 0.070 10.241 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.893 0.906 10.793 1.00 0.00 N ATOM 0 H LYS B 114 1.851 -4.699 8.609 1.00 0.00 H new ATOM 0 HA LYS B 114 3.434 -3.221 6.701 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.497 -2.544 8.234 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.675 -2.554 9.531 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.896 -0.736 8.552 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.975 -0.832 7.064 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.965 0.938 8.285 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.873 -0.421 8.472 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.933 -0.922 10.691 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.939 0.501 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 0.882 0.819 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.054 1.899 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.021 0.591 10.409 1.00 0.00 H new ATOM 1620 N ASN B 115 4.807 -4.376 9.411 1.00 0.00 N ATOM 1621 CA ASN B 115 6.069 -4.784 10.042 1.00 0.00 C ATOM 1622 C ASN B 115 6.851 -5.676 9.088 1.00 0.00 C ATOM 1623 O ASN B 115 8.046 -5.505 8.919 1.00 0.00 O ATOM 1624 CB ASN B 115 5.749 -5.526 11.363 1.00 0.00 C ATOM 1625 CG ASN B 115 5.668 -4.624 12.585 1.00 0.00 C ATOM 1626 OD1 ASN B 115 6.649 -4.433 13.293 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.517 -4.073 12.847 1.00 0.00 N ATOM 0 H ASN B 115 3.983 -4.667 9.936 1.00 0.00 H new ATOM 0 HA ASN B 115 6.681 -3.911 10.267 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.801 -6.051 11.250 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.514 -6.283 11.535 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.416 -3.465 13.659 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.717 -4.250 12.240 1.00 0.00 H new ATOM 1634 N GLU B 116 6.136 -6.577 8.426 1.00 0.00 N ATOM 1635 CA GLU B 116 6.698 -7.468 7.419 1.00 0.00 C ATOM 1636 C GLU B 116 7.364 -6.668 6.335 1.00 0.00 C ATOM 1637 O GLU B 116 8.553 -6.788 6.108 1.00 0.00 O ATOM 1638 CB GLU B 116 5.590 -8.323 6.794 1.00 0.00 C ATOM 1639 CG GLU B 116 6.060 -9.150 5.617 1.00 0.00 C ATOM 1640 CD GLU B 116 4.950 -9.891 4.936 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.276 -9.298 4.083 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.721 -11.069 5.248 1.00 0.00 O ATOM 0 H GLU B 116 5.136 -6.711 8.576 1.00 0.00 H new ATOM 0 HA GLU B 116 7.431 -8.114 7.902 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.181 -8.988 7.555 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.778 -7.672 6.470 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.549 -8.497 4.894 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.809 -9.864 5.959 1.00 0.00 H new ATOM 1649 N ARG B 117 6.578 -5.848 5.679 1.00 0.00 N ATOM 1650 CA ARG B 117 7.060 -4.992 4.594 1.00 0.00 C ATOM 1651 C ARG B 117 8.165 -4.076 5.046 1.00 0.00 C ATOM 1652 O ARG B 117 9.036 -3.720 4.258 1.00 0.00 O ATOM 1653 CB ARG B 117 5.963 -4.149 4.007 1.00 0.00 C ATOM 1654 CG ARG B 117 4.865 -4.922 3.357 1.00 0.00 C ATOM 1655 CD ARG B 117 3.812 -3.987 2.812 1.00 0.00 C ATOM 1656 NE ARG B 117 3.220 -3.144 3.862 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.146 -3.493 4.537 1.00 0.00 C ATOM 1658 NH1 ARG B 117 1.696 -4.731 4.474 1.00 0.00 N ATOM 1659 NH2 ARG B 117 1.525 -2.628 5.297 1.00 0.00 N ATOM 0 H ARG B 117 5.582 -5.747 5.875 1.00 0.00 H new ATOM 0 HA ARG B 117 7.439 -5.675 3.834 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.536 -3.531 4.797 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.397 -3.472 3.272 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.270 -5.533 2.550 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.416 -5.604 4.079 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.255 -3.352 2.045 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.027 -4.569 2.330 1.00 0.00 H new ATOM 0 HE ARG B 117 3.661 -2.250 4.076 1.00 0.00 H new ATOM 0 HH11 ARG B 117 2.181 -5.421 3.901 1.00 0.00 H new ATOM 0 HH12 ARG B 117 0.863 -4.998 4.999 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.873 -1.672 5.371 1.00 0.00 H new ATOM 0 HH22 ARG B 117 0.693 -2.910 5.816 1.00 0.00 H new ATOM 1673 N HIS B 118 8.112 -3.680 6.290 1.00 0.00 N ATOM 1674 CA HIS B 118 9.127 -2.848 6.858 1.00 0.00 C ATOM 1675 C HIS B 118 10.402 -3.588 7.047 1.00 0.00 C ATOM 1676 O HIS B 118 11.469 -3.060 6.744 1.00 0.00 O ATOM 1677 CB HIS B 118 8.630 -2.091 8.082 1.00 0.00 C ATOM 1678 CG HIS B 118 7.901 -0.867 7.650 1.00 0.00 C ATOM 1679 ND1 HIS B 118 8.421 0.013 6.716 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.643 -0.461 7.865 1.00 0.00 C ATOM 1681 CE1 HIS B 118 7.500 0.873 6.381 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.426 0.613 7.060 1.00 0.00 N ATOM 0 H HIS B 118 7.361 -3.928 6.935 1.00 0.00 H new ATOM 0 HA HIS B 118 9.367 -2.064 6.140 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.973 -2.728 8.674 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.471 -1.820 8.720 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.934 -0.904 8.549 1.00 0.00 H new ATOM 0 HE1 HIS B 118 7.613 1.668 5.659 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.552 1.135 6.999 1.00 0.00 H new ATOM 1691 N GLU B 119 10.304 -4.824 7.474 1.00 0.00 N ATOM 1692 CA GLU B 119 11.439 -5.673 7.504 1.00 0.00 C ATOM 1693 C GLU B 119 11.958 -5.904 6.107 1.00 0.00 C ATOM 1694 O GLU B 119 13.109 -5.734 5.874 1.00 0.00 O ATOM 1695 CB GLU B 119 11.154 -6.977 8.219 1.00 0.00 C ATOM 1696 CG GLU B 119 11.601 -6.965 9.663 1.00 0.00 C ATOM 1697 CD GLU B 119 10.935 -5.916 10.529 1.00 0.00 C ATOM 1698 OE1 GLU B 119 11.365 -4.742 10.531 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.026 -6.268 11.289 1.00 0.00 O ATOM 0 H GLU B 119 9.439 -5.253 7.804 1.00 0.00 H new ATOM 0 HA GLU B 119 12.218 -5.171 8.078 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.084 -7.183 8.177 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.656 -7.790 7.695 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.409 -7.947 10.095 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.679 -6.808 9.693 1.00 0.00 H new ATOM 1706 N GLU B 120 11.065 -6.230 5.183 1.00 0.00 N ATOM 1707 CA GLU B 120 11.394 -6.446 3.756 1.00 0.00 C ATOM 1708 C GLU B 120 12.182 -5.290 3.158 1.00 0.00 C ATOM 1709 O GLU B 120 13.204 -5.499 2.509 1.00 0.00 O ATOM 1710 CB GLU B 120 10.123 -6.621 2.931 1.00 0.00 C ATOM 1711 CG GLU B 120 9.284 -7.802 3.320 1.00 0.00 C ATOM 1712 CD GLU B 120 10.000 -9.097 3.139 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.991 -9.623 2.013 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.539 -9.632 4.116 1.00 0.00 O ATOM 0 H GLU B 120 10.075 -6.357 5.393 1.00 0.00 H new ATOM 0 HA GLU B 120 12.006 -7.347 3.722 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.520 -5.718 3.021 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.398 -6.717 1.881 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.981 -7.701 4.362 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.372 -7.808 2.723 1.00 0.00 H new ATOM 1721 N ALA B 121 11.699 -4.089 3.375 1.00 0.00 N ATOM 1722 CA ALA B 121 12.314 -2.901 2.823 1.00 0.00 C ATOM 1723 C ALA B 121 13.645 -2.610 3.478 1.00 0.00 C ATOM 1724 O ALA B 121 14.607 -2.266 2.800 1.00 0.00 O ATOM 1725 CB ALA B 121 11.381 -1.708 2.926 1.00 0.00 C ATOM 0 H ALA B 121 10.869 -3.906 3.939 1.00 0.00 H new ATOM 0 HA ALA B 121 12.504 -3.090 1.766 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.867 -0.828 2.504 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.464 -1.915 2.375 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.141 -1.523 3.973 1.00 0.00 H new